jlee = 1 nbank = 200 nstep = 200 419560 0 6141.10378 # 1 total E -5.00298E+02 rmsd from N 0.000 %NC 0.00 125.360-127.359 163.253 58.031 125.493 -81.956 168.311-115.829 115.774 -94.107 135.206-143.062 91.693 66.915 130.827 -76.677 93.837 55.777 168.693-135.379 95.019 155.427 169.755 -69.881 119.187 60.629 151.440-109.168 103.960 -54.211 140.522-114.902 92.572 -28.637 84.108 -80.671 92.599 111.726 145.998 -90.396 133.169 -64.125 175.935 -60.902 128.157 -68.569 142.365 107.487 94.145 -61.298 173.649-146.584 103.245 -18.446 0.000 0.000 92.552 89.803 109.957 -87.868 133.323-123.197 121.693 -93.286 123.244 -67.778 148.632-160.257 129.158 -78.441 176.485-135.071 129.774 -41.070 0.000 0.000 126.942-145.766 145.529 -5.334 121.793-109.662 167.680 -78.258 122.994-125.083 132.151-120.862 94.135 43.268 143.010 -74.531 91.948 47.790 131.805 -78.560 91.228 51.539 134.019 -76.700 91.771 45.350 144.289 -78.510 91.962 67.665 142.711-149.460 91.484 -48.441 126.777 -75.665 132.473-157.018 160.619 -33.724 121.772-123.157 151.276 49.235 125.159-163.153 160.423 -89.785 117.568 150.705 140.537 31.651 102.477 -49.956 105.487 -55.734 91.005 5.290 130.137 -76.550 122.154 -43.815 142.737 -17.428 132.073-160.954 150.666 131.388 93.062-114.920 155.606-164.726 119.758 -32.780 144.328-160.560 125.002-129.878 154.450 -76.675 93.027 44.851 130.844-158.469 92.694 69.890 145.677-110.093 116.725 -77.262 157.949-124.447 95.160 171.399 0.000 0.000 93.488 70.244 162.886-107.085 92.821 32.821 98.260 -78.143 96.652 67.841 0.000 0.000 116.540 151.927 136.827-118.270 124.813-138.939 95.799 -68.248 124.451-171.177 151.312-119.304 130.618 -75.863 112.342-103.078 93.353 83.702 152.775 -29.477 119.181 -40.650 169.745 -1.140 125.260-151.727 143.288 -83.633 96.204 60.655 165.266 -79.528 123.549 -94.274 148.796 -98.049 126.070-148.132 162.861 -25.246 133.966-102.152 162.891 163.014 93.988 86.120 109.758-110.419 93.345 81.290 107.205 -98.381 94.699 86.320 104.370-120.336 118.201 0.000 130.109-148.903 # 2 total E -4.65463E+02 rmsd from N 0.000 %NC 0.00 91.602 108.703 130.580 -72.975 123.193-146.406 137.860 -97.757 111.752 131.580 94.891 -80.752 92.498 7.176 128.077 -75.987 136.766-156.276 148.314 -55.466 94.349 43.757 123.677 -97.504 118.660 -85.293 130.056-122.948 122.619 152.307 152.814 -1.792 91.333 100.973 126.208 -58.900 91.312 109.556 146.462-134.284 90.921 20.977 108.325-102.510 104.281 -87.042 141.266-109.895 95.147 134.488 168.322-158.124 120.154 -19.040 0.000 0.000 126.594 -91.023 166.300 25.754 125.891-136.648 163.545-178.250 128.351 -99.292 145.638 -21.268 93.905 45.214 107.500 -75.922 96.293 96.703 0.000 0.000 127.456-155.107 96.871 -86.060 98.063 -33.336 111.861 -68.126 114.332-114.520 127.362 -88.986 94.437 75.799 146.690 -71.758 92.804 68.282 140.494 -78.869 91.951 -83.137 137.586-103.010 113.417 111.044 171.994 -12.874 93.606 91.022 138.273-142.652 114.049-131.661 111.787 -27.936 92.544 47.119 164.901-127.802 93.948 83.787 108.596 -35.917 110.205 -43.789 140.038 -91.648 92.368 73.391 161.563-172.622 91.323 62.883 125.732 -98.509 91.204 69.267 129.231 -75.692 92.779 52.207 143.614-119.668 95.352 -62.434 134.316 149.438 118.343-157.370 153.452 -69.289 133.126 -96.810 145.311 -18.650 128.440-165.174 142.808 -76.015 93.738 75.216 155.188 -34.405 93.280 108.689 156.532 -18.545 118.591-173.821 158.471-147.811 130.827-179.908 0.000 0.000 118.075 174.582 139.510-101.228 94.125 -55.005 94.857 -80.185 117.334 -23.936 0.000 0.000 128.332-143.034 172.006 -8.609 114.098 -28.123 131.526-146.920 118.249-135.598 162.655-131.021 142.833-149.172 176.462 138.125 92.876 53.803 146.070-154.593 93.077 90.248 138.750 -84.460 119.451 -58.645 145.800 -88.298 94.385 77.795 142.665 -74.966 92.099 68.228 132.873 -67.711 94.467 78.737 100.083 -99.453 118.234-123.609 140.950-121.208 126.568 -87.850 145.810 -84.272 124.146-165.006 142.709 -84.778 126.387-120.253 168.009 -80.899 118.424 0.000 140.246-173.329 # 3 total E -4.64638E+02 rmsd from N 0.000 %NC 0.00 126.255-122.303 140.645 -93.439 95.127 80.278 126.648 -90.896 121.364 175.641 123.315-119.974 122.906 -73.439 142.423 -97.185 125.007-162.597 163.704 -44.258 124.814-106.641 121.160-113.922 125.248-160.082 157.534 58.869 132.027 -90.798 59.869 -89.222 93.663 -32.755 113.602 -68.008 111.634-152.217 142.366-138.597 122.273 -92.495 144.943 -65.748 120.058-178.438 159.797 141.129 108.774 -71.147 149.502-109.785 114.572 -44.791 0.000 0.000 92.086 76.485 137.138 -92.147 94.540 37.969 101.646 -57.028 92.839 56.225 150.527 -42.551 94.182 27.741 146.111-101.968 96.872 54.154 0.000 0.000 93.240 57.035 116.087 -57.467 134.210 -91.744 173.529-145.428 126.365 -86.448 111.749-113.454 118.242 2.085 136.100 -79.020 92.860 87.738 148.708-129.937 91.432 81.412 131.006 -75.508 120.643-141.540 165.448-102.805 125.623-179.341 150.598 -33.620 91.182 68.272 128.213 -75.275 92.069 75.659 125.095 -32.846 93.583 89.417 161.083 -15.574 91.281 65.657 130.004 -76.572 112.449-127.753 101.993-102.766 94.584 59.773 142.913-140.425 92.154 158.933 176.328 -88.845 93.849 97.686 101.891 -73.663 92.995 -8.972 145.990-137.711 93.223 -78.996 117.003 -56.834 113.570-172.018 79.623 -69.725 134.409-162.022 136.015 -24.279 93.412 105.706 136.102-158.455 93.110 37.174 146.873 -98.362 112.122-156.007 153.801-118.506 135.098 -75.634 0.000 0.000 122.314-166.724 163.588 154.577 92.834 -57.305 152.254 -5.064 94.337 11.272 0.000 0.000 111.723 -62.200 127.208-121.976 101.267 -25.617 163.960 -74.764 94.066 103.181 121.897 -74.130 126.932-121.986 115.372-137.711 117.282-122.585 167.580-142.038 93.640 36.132 147.540-144.729 92.418 80.106 129.657 -76.134 127.293 -95.210 98.054 -57.536 112.300-167.315 128.708 -93.376 123.554-178.061 107.980 -73.845 93.082 66.074 118.414 47.592 93.632 34.536 123.908-120.595 111.359-109.647 168.050 -97.220 125.448-147.813 176.468 -69.303 118.443 0.000 128.753 118.040 # 4 total E -4.63450E+02 rmsd from N 0.000 %NC 0.00 91.534 61.005 136.195 -75.297 124.177 -80.135 132.124 -90.422 118.044-138.571 119.388-118.256 127.480-164.964 143.728 -92.552 123.874-179.069 135.538 -84.733 114.992 116.204 140.452-106.930 94.635 63.585 114.041-100.994 126.044-170.090 115.680-125.469 127.768-105.996 135.629 -45.674 91.674 39.904 142.977 -93.618 93.383 45.446 139.622 -70.905 122.307 132.415 134.222 -85.081 103.137 -85.173 132.849-132.844 99.022 -29.829 0.000 0.000 92.554 94.869 145.469 -98.923 95.643 3.472 139.467 -72.995 94.246 -94.903 163.536-164.630 129.438 -85.665 108.048-115.132 128.682 -14.807 0.000 0.000 126.887 -97.498 143.207 -21.238 124.151-138.227 162.482 -30.408 93.668 50.965 114.934 -96.113 93.102 49.344 104.596-100.572 91.661 60.661 126.063 134.235 90.867 60.985 130.461 -77.093 93.164 72.440 142.823 -79.166 92.016 -80.364 90.372 -68.339 92.071 -50.393 129.418 -76.103 121.199-172.871 148.094 -69.161 118.432 162.494 152.493 5.089 91.406 76.005 129.602 -76.234 92.473 48.887 125.567 -84.985 92.385 75.804 148.888 -26.875 91.384 14.551 131.067 -78.899 113.933 -83.904 157.047 39.421 120.031 147.618 156.151-129.103 109.672 73.784 150.431 -12.765 127.968 -43.325 122.608-147.873 117.707-109.074 149.658 -84.544 94.636 21.758 125.342-150.915 92.925 67.604 145.964-109.694 107.448 -25.531 159.995 -51.053 95.811 76.544 0.000 0.000 92.741 49.525 134.977-137.706 93.400 41.539 137.666 -13.321 95.531 78.013 0.000 0.000 119.830-100.300 147.242-118.701 125.487-178.820 172.667-159.562 125.532 -55.005 146.844 52.396 119.857 -41.379 147.430-151.458 93.259 82.173 146.706 -41.693 93.983 59.453 111.531 -75.174 92.902 -94.440 129.594 -76.795 120.511-159.264 163.588 -21.850 92.772 75.107 116.690 71.520 94.548 82.454 124.269 -90.794 124.019-101.031 103.941 -94.354 115.668 -62.397 166.574-108.716 116.022-172.937 134.019 -83.235 129.426 -93.233 135.636-113.724 118.699 0.000 125.291-130.194 # 5 total E -4.61862E+02 rmsd from N 0.000 %NC 0.00 91.604 4.193 131.635 -82.638 121.447-167.297 138.004 -88.113 144.388 166.982 108.086 -85.123 137.494-165.399 126.045 -86.404 110.740 172.446 147.290 -91.351 123.377 -62.251 160.530 -17.876 120.327 -94.775 142.703-115.392 92.117 56.128 168.662 20.743 91.375 44.158 115.841 -49.324 91.896 60.404 176.465-159.580 92.527 21.898 137.458 -72.810 106.657 179.200 131.053-117.554 106.851 -73.469 168.766 -24.737 100.842 -49.999 0.000 0.000 92.019 83.151 139.953-101.180 95.492 36.897 108.788 -70.138 123.458-161.316 176.463-143.289 129.445-163.576 104.858 110.929 95.378 126.111 0.000 0.000 125.545-105.174 135.308 -35.406 94.720 91.664 142.020 -76.399 93.929 85.886 100.940 -75.387 127.441 173.162 127.104 -79.812 93.001 62.811 127.806 -89.279 111.389 161.061 149.958 -81.270 129.536 138.469 143.279 -91.539 94.028 6.911 131.440 158.671 94.781 -96.568 158.621 -66.583 125.425 -33.438 168.683 167.974 126.059-136.185 154.768 5.584 113.705 -41.557 154.968 -90.452 123.859-124.347 125.709 82.308 93.453 44.292 130.090 -63.277 92.246 106.435 129.033 -75.926 94.752 -30.690 147.239-143.888 92.788 -57.048 129.523-125.442 91.493 -8.185 129.536 72.522 122.996-147.501 131.167 -88.500 126.682-165.252 152.508 -88.498 129.691-101.131 146.514-160.854 118.670-120.358 156.829 -32.053 95.330 118.656 146.330-106.161 126.832 176.231 0.000 0.000 113.901 92.606 145.603-112.752 115.780-102.322 105.446 -76.836 109.930-178.011 0.000 0.000 130.638 176.255 142.766-116.880 124.353-165.423 129.261 -58.448 127.766 -65.099 88.490 -72.529 109.974-179.993 92.945 -90.298 93.461 53.170 141.374-126.085 92.947 43.415 108.554 -75.394 91.486 66.749 130.252 -77.195 93.447 88.289 137.925 -72.028 91.328 3.326 136.278 -74.899 103.187 -95.994 110.436 -84.470 104.532 142.682 146.360 103.800 94.557 42.113 133.660-112.134 119.128-155.501 170.372 -47.257 94.664 83.562 122.595 -86.434 105.302 0.000 97.197 -50.662 # 6 total E -4.61376E+02 rmsd from N 0.000 %NC 0.00 125.436-116.977 157.495 47.373 128.036 -59.200 143.007 -94.427 116.516-132.668 144.890-161.802 92.454 120.487 135.883 -80.547 93.754 31.768 103.962 -49.184 119.316-106.788 146.595-103.428 95.445 76.679 169.937-103.212 130.297-113.420 108.264 -84.547 93.052 64.952 113.888 -47.003 92.936 121.555 141.861 -35.843 116.628 -29.609 133.213 -97.303 132.787-134.442 139.243 -75.040 112.856-165.581 149.423 147.583 133.142-173.952 0.000 0.000 92.751 86.525 148.738 -99.296 95.937 14.558 137.146 -66.790 94.936 -87.113 148.915-158.816 121.977 -64.112 120.445-120.208 95.112 65.011 0.000 0.000 122.428-176.501 149.060 15.520 94.656 70.756 142.475 -65.329 94.116 79.712 141.858 -73.931 126.403 -83.558 111.285-100.536 91.833 76.333 151.413-127.712 90.931 80.093 130.975 -76.159 92.479 44.500 141.266 -74.786 92.169 87.635 137.546-139.588 91.578 -13.013 124.449 -75.448 106.156 -81.431 130.171 -60.637 118.785-170.375 163.340 -45.496 109.226 95.945 158.711 -95.133 121.021 -85.299 148.154 154.136 92.951 68.198 141.190 -47.833 91.316 71.266 130.144 -76.740 93.961 10.401 129.301 -53.645 126.034-162.420 147.202-118.584 124.184-179.504 138.778-105.059 110.464 37.305 123.256-129.763 91.623 161.688 150.920 -77.718 93.663 55.026 138.792 -95.096 93.655 135.490 150.694 6.254 83.944 -54.120 176.419-165.331 95.987 -47.555 0.000 0.000 94.084 92.488 160.196-145.287 125.666-110.652 149.501 -21.125 134.560-165.934 0.000 0.000 129.820-144.687 172.385 -40.958 122.737 -67.954 162.042 61.247 119.296 177.685 124.211 -49.169 119.173 151.707 129.920-163.362 115.970 179.012 169.895-171.454 93.492 90.989 138.596 -32.960 91.959 56.542 129.370 -76.059 119.608 -96.576 124.824 -68.702 92.551 -5.499 129.490 -90.619 121.407 -94.242 167.079 -74.480 126.576-151.809 148.664-131.783 125.427 -82.975 176.430 -96.464 123.393-167.909 173.352-103.429 122.847-157.383 115.824 -84.867 119.724 0.000 114.937 132.777 # 7 total E -4.59577E+02 rmsd from N 0.000 %NC 0.00 125.241-130.924 164.297 29.001 125.056 -83.286 129.311 -76.240 116.539-107.851 140.364-152.087 123.879-148.816 151.975 -96.054 129.518 176.414 130.081 -59.746 94.223 45.723 120.287-100.978 119.229 -60.342 117.044 -58.724 120.646-165.014 96.784 -72.436 92.799 128.224 176.842-110.287 91.619 76.816 135.401 -68.983 91.519 -71.788 103.516-109.004 128.301-170.537 170.344-161.242 122.275-107.170 119.037 -88.218 106.615 -20.622 0.000 0.000 107.468 -93.230 154.400-116.941 134.755-152.451 163.261-124.930 125.144-107.045 176.432-138.695 94.808 121.790 153.479 -83.932 129.662 -52.906 0.000 0.000 101.093 -26.693 125.129 -26.398 116.153-178.757 125.096 -63.296 129.852-163.309 129.089 -93.973 128.104-118.820 170.852 -71.120 131.775 -97.810 141.823 -51.687 91.356 49.093 131.249 -77.575 126.653-116.436 122.644 -69.596 92.747 63.645 137.347-133.607 110.139 158.969 142.776 -65.423 92.272 60.875 116.426 -64.019 93.599 94.773 142.394 -73.623 91.309 -9.491 128.747 -76.993 106.428 -88.056 152.620 -68.574 119.603-176.295 104.538 -23.550 122.964 111.993 150.726 -85.344 128.379-131.418 161.660 -2.808 134.886-100.353 155.934-152.880 136.306-123.479 115.669 -78.896 124.696 -86.269 98.781 159.412 127.100 137.723 154.204 -80.481 119.914 54.601 145.957-171.010 93.737 -57.012 141.674-118.741 93.900 -25.212 143.704-104.929 95.625 99.790 0.000 0.000 124.052-131.382 166.775 -90.414 115.366 -84.199 143.996 -18.202 94.573 43.096 0.000 0.000 123.782 172.427 168.193-146.473 93.943 68.245 176.572 38.020 96.684 119.934 128.153-108.318 113.635 30.840 163.079 104.439 93.207 -66.949 176.398-141.543 95.219 -10.772 110.712 -73.689 93.254 114.962 129.599 -76.490 121.866-104.889 95.520 -52.562 115.392 -76.784 136.976-128.661 126.324-155.100 161.574 -44.586 124.975-101.236 176.444 16.120 94.476 44.593 143.723 -77.133 93.672 78.429 145.039 -68.920 95.030 83.461 135.824-100.421 118.143 0.000 127.884-154.849 # 8 total E -4.52845E+02 rmsd from N 0.000 %NC 0.00 118.649 146.577 176.243-117.025 123.084-153.216 126.146 -81.478 106.483 -79.147 146.449-170.833 92.812 -6.204 130.943 -77.301 96.689 80.782 165.244 -96.142 131.104-135.923 169.806 -75.419 123.997-144.561 155.147 48.390 94.770 86.286 104.671 123.916 93.243 143.669 70.193 105.227 105.882 -74.073 132.013 -92.725 124.367-167.785 167.502 -62.918 123.303-169.575 166.362 138.253 94.246 54.489 139.371-110.860 95.212 120.711 0.000 0.000 124.341 -97.669 162.915 -74.835 95.427 30.943 115.195-125.818 92.433 63.668 134.123 -87.097 111.058 -23.541 168.837 81.647 95.381 69.912 0.000 0.000 91.750 14.978 119.908 -18.504 116.186-120.375 132.153 -75.743 93.591 115.081 162.746 -95.849 93.766 76.152 143.797 -79.636 91.733 67.725 94.374 27.882 91.379 73.844 130.619 -77.489 98.404 -79.839 164.090-117.261 94.064 -54.146 146.370 -33.342 126.473-145.632 139.981 -63.155 125.510-101.940 138.459 -17.226 132.105-176.386 145.794 -79.193 145.912 151.791 105.745-113.953 115.203 -27.890 153.230 -74.435 115.210-150.863 133.362 -65.174 121.359 174.349 174.790 -89.378 94.452 98.455 138.595-124.196 93.294 -11.819 135.426-137.325 92.388 -76.563 104.161 -45.659 110.819 178.652 146.122 126.434 130.274-167.801 172.713 -88.564 115.902 -6.992 132.309-150.165 118.676-161.521 165.323 -1.985 129.892 -69.454 148.183-176.127 110.511 1.777 0.000 0.000 130.360-152.836 132.092 -84.389 92.799 -58.186 91.367 -81.047 94.197 15.619 0.000 0.000 128.710-127.432 133.238 -79.460 122.428-104.422 176.502 170.716 93.459 77.753 137.468 -74.342 92.649 84.424 121.132 154.495 91.852 78.318 143.800 -98.333 92.873 144.392 151.905 9.073 91.254 94.859 129.768 -76.320 94.380 6.309 142.740 -72.307 96.151 -89.317 131.335 -94.911 123.927-170.829 172.922 -54.992 92.858 85.482 174.899 7.288 93.405 78.435 120.932 -97.760 92.607 76.564 143.792 -75.169 94.773 78.536 111.598 -89.789 116.183 0.000 148.023-109.774 # 9 total E -4.48896E+02 rmsd from N 0.000 %NC 0.00 91.586 56.412 133.337 -84.611 125.880 -90.044 143.508 -91.995 125.446 101.742 112.244-107.027 91.776 -33.068 131.905 -77.924 125.133-155.898 166.099-102.697 114.084 -35.264 158.348 -16.988 127.835-150.245 128.815 -58.507 115.835 -59.636 154.109-137.965 92.579 -24.609 86.157-102.140 93.060 95.522 147.926 -41.541 131.787-129.867 149.451 -87.794 123.346-120.473 166.287-156.937 132.937-140.761 86.670-118.056 133.866 -87.312 0.000 0.000 132.410 173.803 174.522-134.607 94.063 99.216 140.300 -60.175 91.983 85.178 127.510-122.743 108.150 -45.381 127.165-109.003 95.121 84.190 0.000 0.000 121.684-108.857 136.771 -5.628 133.025-166.940 129.935 -61.248 119.182-176.788 133.991 -93.062 125.487 -65.817 135.334-122.951 117.819-163.189 153.804 -72.432 92.439 45.888 127.799 -75.489 119.876 130.546 157.645 138.658 93.146 87.757 97.539 -72.802 92.628-102.314 128.765 -76.065 133.163 172.149 145.651 -45.249 107.898 -55.480 111.638 -52.336 90.854 5.725 130.815 -77.047 126.111 -89.850 139.103-111.570 126.601-120.569 112.481 -94.695 122.301 174.141 169.443 -80.543 94.023 81.615 125.497-133.110 127.887-106.822 126.601-127.676 92.027 83.364 155.603 46.398 139.207-104.952 123.318-115.664 131.808 -95.648 127.645 -94.973 133.947-162.987 149.982 166.856 111.749 177.982 156.764 -10.648 127.751 174.903 176.485 -7.882 94.221 142.532 0.000 0.000 94.000 69.101 138.995-105.336 93.114 106.847 132.852-123.186 130.368 -10.327 0.000 0.000 93.439 -3.742 114.593-100.841 121.761 -79.696 165.604 27.412 95.805 14.477 134.013-114.748 96.428 102.783 100.205 -80.023 93.306 83.967 159.779-128.566 138.547 -81.250 148.839 -11.517 132.018-154.112 152.598 -93.202 122.815-167.780 153.246 -33.489 107.695 171.288 129.346 76.018 95.178 64.833 135.703-123.307 94.799 126.268 133.158-108.453 128.897 -17.207 117.067 -62.054 127.497-114.461 167.146 -3.404 129.291-112.762 157.029-152.118 118.588 0.000 138.416-158.165 # 10 total E -4.44979E+02 rmsd from N 0.000 %NC 0.00 125.272 -98.928 144.065 -57.757 95.183 90.273 142.648 -72.806 115.679 156.054 95.848 -72.657 138.921-151.735 174.581 -83.338 130.536 121.616 123.147 -96.668 120.513-163.442 132.987 -60.340 94.268 65.083 139.648-129.697 123.709 169.919 97.140 -54.100 92.189 95.113 83.795-115.184 92.878 41.758 121.356-125.778 122.103 -53.188 167.416 12.627 129.398-164.869 159.180 109.656 118.947 -37.511 173.181-162.653 95.172 85.796 0.000 0.000 92.515 104.020 127.036 -78.086 94.840 10.668 140.176 -71.740 103.225 -95.922 151.088-176.053 93.698 59.702 105.361-117.827 144.404-119.255 0.000 0.000 92.902 86.450 115.192 -49.268 94.605 89.223 139.629 -74.338 93.816 140.269 141.480 -76.088 129.493-145.227 129.674 -68.291 121.075-151.959 114.188 66.345 92.105 13.884 129.642 -76.841 122.120 142.339 131.659 -69.601 95.470 -69.687 145.370 164.585 91.493 61.442 129.184 -75.680 121.848 -88.916 132.262 -25.656 121.500 -6.344 167.188 -93.934 91.997-166.744 127.841 -72.874 133.194-126.518 167.055 -35.586 128.745 -96.717 148.021-114.175 90.868 61.755 173.518 -83.518 92.143 42.231 93.160 -69.699 92.291 53.425 156.413 94.186 91.932 59.825 127.743 -68.815 104.192 145.777 137.738-138.314 91.495 87.555 130.255 -75.446 94.189 92.320 116.519 -88.502 111.969-107.687 109.177 -77.917 93.766 113.293 141.033-107.564 136.462 -84.631 0.000 0.000 118.872-163.226 89.864 -53.068 119.897 177.848 105.583 -78.589 131.528 -47.400 0.000 0.000 127.586-161.890 169.525 -98.710 118.291-140.105 173.237 112.854 132.323 -99.700 145.236-141.347 94.674 80.552 119.439 -72.723 118.328 -68.232 153.939-129.479 119.897-159.429 142.666-158.386 91.986 60.785 131.316 -76.817 96.363 76.273 167.773 -25.018 125.938 -81.112 164.234-139.481 122.918 -71.761 144.205 -91.003 133.144 -62.168 141.469 108.397 96.769 -22.991 144.289-114.392 124.182-174.611 166.468 -51.294 126.975-112.969 136.593-148.083 117.729 0.000 150.978-132.049 # 11 total E -4.41256E+02 rmsd from N 0.000 %NC 0.00 112.724 -26.967 163.578 16.684 127.641 -68.830 172.533 -77.881 105.789 -33.729 140.922-159.953 91.124 101.990 129.740 -77.243 92.543 97.699 130.861 -95.034 93.053 -7.249 141.953 -74.591 95.716 -83.927 116.374-110.526 116.312-179.001 115.589 -45.921 115.428 162.745 107.831 69.214 92.128 53.088 135.082 -83.498 92.501 61.115 139.590 -71.100 92.229 58.696 133.406-105.396 93.141 39.019 115.262-127.707 94.658 77.028 0.000 0.000 117.315-114.579 163.446-114.160 127.728 -94.886 137.252 -87.343 124.316-114.416 151.635 127.903 130.207 -78.018 151.350-117.316 139.311 -29.882 0.000 0.000 130.490-134.100 137.294 -54.304 124.925-107.917 173.147 -61.937 128.644-173.210 170.419 -16.490 136.007 108.437 115.172 -75.914 92.508 -15.335 121.774 -79.691 91.941 -67.747 131.399 -77.406 119.533-147.617 164.496 -81.838 118.672 -58.524 149.575 15.045 124.062-175.689 130.767 -69.436 92.346 71.123 123.383 -17.415 117.701 156.645 97.915-106.704 91.685 -15.212 130.072 -76.453 116.182-142.309 143.317 -84.328 93.113 70.296 157.438-148.051 91.902 82.755 131.346 -76.363 121.882 -93.260 97.598 -90.846 126.147 -42.665 110.422 -95.828 92.555-174.720 133.300 12.568 93.312 60.404 105.039 -56.186 114.639 165.360 129.731 -50.182 94.286 41.126 157.051-128.672 118.671-172.508 165.794-158.229 117.533 179.764 161.062-173.901 122.807-174.111 0.000 0.000 124.193-150.155 167.211-129.101 124.505 -51.677 146.646 -20.933 95.216 95.815 0.000 0.000 116.274 140.596 91.331 -78.426 122.820 -50.555 122.192 72.347 126.155-156.937 164.800 -86.746 127.278 -82.043 159.069 14.273 94.334 -3.086 146.612-137.359 94.344 90.632 109.555 -74.688 91.618 127.678 129.426 -76.180 93.345 78.253 142.733 -71.224 92.153 80.844 149.710 -75.618 93.505 92.405 100.303 -97.540 92.852 29.559 124.639-107.614 122.893-160.775 162.148 31.741 93.219 78.776 138.095 -98.115 125.765-119.140 122.766 -76.976 118.851 0.000 137.746-176.882 # 12 total E -4.39434E+02 rmsd from N 0.000 %NC 0.00 91.563 60.907 135.725 -74.988 124.882 -87.788 127.765 -79.662 115.236 -71.849 132.356-139.272 91.715 81.064 156.662 -84.698 124.657-113.197 135.992 -79.939 127.333-169.480 117.903 -69.858 125.620-172.690 133.554-109.407 129.003 -96.735 99.144 -54.160 116.609 -84.787 100.869 -64.681 120.963-147.936 149.506 -86.410 122.623-132.286 176.464 -50.888 136.972 -88.203 139.425 -88.117 93.282 171.741 110.509-157.244 95.254 60.885 0.000 0.000 115.041 155.436 175.857 168.783 93.872 103.828 145.580 -64.240 92.162 64.390 114.971 -85.577 93.274 50.611 116.632-116.105 134.881 -96.286 0.000 0.000 94.599 87.726 103.342 -64.382 134.230 -88.032 176.441 -49.046 129.148-172.117 150.739-117.376 125.255 103.727 137.978 -74.777 92.763 -8.978 138.041 -95.544 92.518 -79.236 130.094 -77.459 121.555-166.578 140.996-153.393 94.992 96.299 146.323 16.281 122.843-129.330 141.030-102.472 93.015 42.807 141.962 -76.642 92.878 74.932 112.526 -10.755 91.050 55.868 132.588 -83.182 92.465 71.721 149.889 118.175 114.557 -83.699 126.315 57.784 134.849 173.679 147.235 -54.524 94.101 61.380 156.260-122.755 92.733 95.087 118.995-165.893 91.594 110.807 127.846 -77.401 111.317 -8.457 130.770-139.345 91.659 -95.666 128.510 -75.367 93.388 94.784 103.585 -88.750 127.000 -97.026 109.983 -79.723 93.494 154.297 145.896-102.448 118.472 35.097 0.000 0.000 123.078-123.979 97.788 -79.540 93.558 -51.742 95.683 -81.172 123.521-161.538 0.000 0.000 123.943 -91.046 134.790-107.324 121.303-156.619 164.067 16.560 120.653 123.892 101.523 -84.157 115.261 117.311 161.573 157.981 93.489 51.990 153.408-144.882 94.059 176.596 151.922 174.321 91.577 92.043 129.385 -75.860 114.171 -58.800 108.093 -81.406 92.751 75.114 137.485 -89.230 94.957 49.937 127.699-103.570 131.297 -71.935 152.158 114.589 94.049 82.327 157.071-119.035 93.113 88.018 139.418 -74.382 95.370 73.788 105.639-115.699 114.987 0.000 134.661 -19.109 # 13 total E -4.39148E+02 rmsd from N 0.000 %NC 0.00 91.601 106.525 121.612 -60.172 128.805 -91.342 142.805 -84.893 115.469 -70.076 118.030-118.309 91.393 73.767 157.667 -86.044 116.405-172.337 124.937 -68.215 94.360 74.455 115.126 -98.329 94.183 83.968 141.412 -75.477 124.358 -96.060 90.453 -61.838 125.338-153.619 139.605-109.945 128.930-160.695 158.672 -77.791 114.814 -94.211 141.936 -72.057 122.442-117.707 127.427 98.911 96.088 96.491 142.849-108.432 125.214-105.919 0.000 0.000 126.909 173.702 148.693 73.001 122.975 150.044 168.088 -39.277 116.249-165.738 148.103-172.784 120.793 -78.761 132.738-107.611 93.610 22.677 0.000 0.000 115.229 -7.583 133.953 -14.735 140.199 -97.735 129.475 -65.131 134.548-135.059 145.028 -78.754 123.314-148.789 168.018 -81.938 92.774 82.480 138.315 -80.210 91.549 18.486 132.255 -77.664 106.649 -88.752 166.131-125.111 122.644-151.974 154.476 -10.553 131.598-163.206 112.598-142.685 92.720 67.702 116.181 -37.805 93.277 92.947 138.003 -72.272 91.430 63.529 129.008 -75.007 92.562 84.105 146.443 88.504 92.548 -21.000 154.700-131.026 111.388-124.845 143.768 -79.549 92.990 55.127 133.188-126.646 92.625 84.368 134.555-130.446 91.755 81.824 95.274 -84.607 129.175-136.616 145.324 -20.854 127.820-153.207 144.707 -78.452 118.581 -74.790 105.577-107.544 123.453-170.466 138.454 -84.154 124.509 -82.249 151.942-128.720 120.989 -53.488 0.000 0.000 93.035 80.644 119.856 -94.436 93.494 -4.006 141.121 -23.127 118.505 -30.194 0.000 0.000 127.671-169.975 112.557 -84.008 127.306 177.680 152.320 -83.545 94.228 109.481 118.711 -54.188 110.267 29.195 133.067-130.272 93.416 57.522 145.623-125.253 93.152 62.010 148.267 -21.785 110.295 162.995 157.367 -83.058 94.686 73.003 140.646 -74.715 92.229 -59.965 119.709-116.740 114.731-159.594 133.660-107.418 134.811 -99.297 91.826 -86.877 121.485 176.278 128.742-103.193 130.517-162.078 138.953-105.932 94.800 68.759 144.459 -73.897 117.739 0.000 133.038-158.725 # 14 total E -4.37239E+02 rmsd from N 0.000 %NC 0.00 126.069-133.793 146.894 -84.775 125.833-156.513 123.593 -84.961 93.318 76.948 100.631 -84.467 91.636 -44.933 130.402 -77.361 122.879-162.413 135.269 -52.192 94.191 60.377 107.491 -92.745 119.996 -68.486 118.970-120.872 124.318-178.513 143.996 -34.297 93.196 79.063 96.196 -95.394 92.809 -35.653 140.728 138.096 119.316-163.035 137.626 -82.638 122.544-177.732 158.421-134.977 94.518 59.066 139.837-109.882 120.432-152.738 0.000 0.000 134.135-178.816 163.823 -48.290 115.498 178.371 136.262 -97.768 125.572-169.641 142.007 135.562 110.791 -52.854 143.978-100.087 94.491 65.391 0.000 0.000 122.979-158.473 133.813 21.437 125.691-100.169 111.465 -67.363 120.569 -89.781 149.176-105.397 129.873-161.693 116.717 -57.224 123.582 -85.188 136.146 128.582 127.604-163.274 147.101 -98.592 121.127-108.956 127.752 -69.642 93.206 56.726 146.294 -25.560 92.014 63.757 128.683 -76.155 120.906-108.422 153.904-142.626 123.067-172.190 70.970-126.264 128.361-162.022 156.060 -88.744 124.692-131.125 156.174 -96.335 92.896 58.642 133.903 -62.910 91.634 111.870 129.895 -76.294 129.997 -80.902 172.878 10.257 131.060-157.243 151.668-119.634 109.591 177.660 118.135 -25.455 134.720 174.862 143.112-137.994 110.544 103.985 132.976 -98.700 111.733 163.685 81.636-100.353 93.936 97.974 143.824 21.646 93.057 16.584 112.373 -83.550 118.153 -65.861 0.000 0.000 122.704-168.852 130.148 -91.753 124.428 -92.306 86.860 -80.739 123.433-165.581 0.000 0.000 121.130 -16.488 167.133-125.756 121.716-134.359 154.677 147.290 130.312-176.984 131.923-123.015 118.475 34.822 105.669 -86.763 123.673 -57.995 160.242 -18.231 92.834 97.254 145.990 -18.195 91.419 149.978 129.927 -76.884 94.587 94.363 138.926 -75.689 91.958 78.997 146.344 -88.029 110.890 -63.491 115.084-120.482 115.577 -11.048 176.283 163.803 128.550-117.845 146.573 -64.022 131.034-146.261 148.597 -66.046 95.499 82.139 128.262-127.359 117.849 0.000 122.806-129.395 # 15 total E -4.34918E+02 rmsd from N 0.000 %NC 0.00 126.033-128.903 149.575 -80.001 126.106 -80.278 133.862 -90.808 118.047-136.949 119.439-117.986 128.559-157.937 150.128 -95.215 124.462-155.858 169.320 -81.553 126.433 -98.570 165.727 -48.595 130.091 -69.514 125.090 -71.282 122.662 179.314 88.750 -82.888 116.741 53.739 148.977 -74.867 92.843 173.211 154.679 -18.030 109.370-176.035 136.507 -81.474 93.582 59.141 141.550-128.117 116.748 -94.079 100.758 -95.154 94.230 170.488 0.000 0.000 128.852-161.422 147.768 -53.961 117.262-174.263 163.596-126.166 116.615 94.112 176.415 -5.827 91.432 -4.189 103.357-123.355 96.238 -82.247 0.000 0.000 119.729 172.128 144.585 20.995 126.013-176.024 176.317 -68.006 125.841-138.411 159.538 39.806 127.363 -63.145 166.549 15.460 92.608 84.366 112.355 106.306 91.030 82.848 131.733 -79.661 92.335 90.107 119.249-100.848 93.855 7.911 139.684-100.141 94.473 -94.587 129.576 -76.210 122.396-148.968 151.759 50.374 126.711 -84.462 97.152-114.062 132.296-174.136 173.644 -83.540 123.306-155.791 140.084-128.151 129.323 -97.320 153.299 23.677 132.019 -73.090 131.028-116.881 118.558 -21.012 129.721-141.658 119.481-101.585 111.863-100.804 91.040 48.660 146.490 15.732 92.569 48.660 146.626 125.283 91.201 46.078 129.959 -76.550 92.048 61.647 117.548 143.239 91.871 55.682 157.393 174.383 94.276 105.659 110.806 -95.547 104.366 -28.241 0.000 0.000 89.934 -56.493 113.026-108.500 91.445 4.726 97.182 -84.050 118.178 -79.994 0.000 0.000 92.845 67.187 138.632 -94.205 128.080 164.502 87.430 -88.534 126.414-159.420 91.406 -70.328 130.566 -66.691 150.803-124.114 92.899 -20.870 149.283 -33.404 93.417 85.476 145.974 -19.006 142.689-129.194 128.499 -97.622 122.141 -52.957 128.650 -89.313 93.281 122.341 133.477 104.626 121.561 -76.236 114.220-108.910 94.614 107.276 146.283-116.697 128.443 -66.489 138.756-108.227 125.822-150.482 169.565 -62.343 128.251-103.823 146.698 38.315 118.774 0.000 133.589-149.897 # 16 total E -4.31637E+02 rmsd from N 0.000 %NC 0.00 91.588 65.130 155.598 54.164 129.914 -96.344 133.437 -82.398 115.295-139.285 105.426 -59.566 126.602 128.445 151.473 -91.758 105.472 -31.015 116.200 -90.036 120.570-135.651 115.457 -72.821 125.710-141.432 144.275 -86.753 134.358-122.321 153.941 149.145 128.949-108.343 120.225 -74.061 121.497 -74.733 101.367 -93.021 104.961 166.737 127.543 -77.021 93.815 73.277 129.076-113.616 94.946 27.606 137.929-110.056 124.605 -17.182 0.000 0.000 113.669 -87.817 99.893 -86.275 114.806-168.248 144.819-108.648 129.184 -91.746 176.415 2.822 125.610 -64.140 116.877-112.712 125.572 -18.375 0.000 0.000 134.499-130.634 176.549-107.920 94.702 118.396 122.393 -99.351 94.515 53.642 107.404-105.024 95.417 80.723 137.579 -70.503 117.507 -82.097 126.174 -60.768 90.993 84.437 152.803 -89.206 93.690 11.160 141.545 -77.340 95.630 -98.789 156.602 -34.362 127.405-165.360 176.089 -83.985 125.361-116.390 131.328 28.102 137.512-177.093 158.722 -63.877 108.991-167.708 145.252 -81.872 135.952 170.222 164.239-149.809 93.879 40.289 112.040 -36.737 93.043-163.840 129.445 -76.061 136.242 -44.219 127.165 -70.462 127.804-164.940 107.307 109.901 92.749 57.973 135.806 33.487 134.569 -77.251 142.661 8.827 91.930 -28.833 128.716 -75.258 94.767 151.721 112.618 -85.777 115.046-169.246 152.686 -15.645 94.547 73.239 129.989-107.363 95.334 66.364 0.000 0.000 110.173-159.642 138.820-114.608 93.825 126.956 101.197 -79.239 127.632 34.757 0.000 0.000 136.560 -62.871 152.987 -93.927 128.992 -20.371 109.700 93.468 124.345-166.459 130.686-107.279 111.972 152.774 110.193 -32.575 121.450 138.145 159.867 -19.178 113.951 -81.789 114.869 -74.558 116.104 178.923 143.973 -79.561 94.946 80.036 126.087-120.965 92.591 92.520 126.652 -85.848 128.868 -92.547 119.333-102.981 120.270-143.916 157.917 121.760 134.875-113.829 169.634 -35.111 114.650 -69.837 169.330 -78.493 124.223-130.005 116.437-103.395 118.691 0.000 141.289 156.093 # 17 total E -4.30413E+02 rmsd from N 0.000 %NC 0.00 91.612 109.568 132.178 -77.312 125.710 -88.610 137.307-100.232 119.056-170.890 112.128-108.204 126.854 164.572 126.213-106.043 93.013 61.138 119.046 -83.526 94.671 80.060 140.235 -97.365 91.791 -12.249 116.601-155.531 108.435 59.662 176.435 168.733 122.059-115.280 131.843 -49.235 111.771 96.279 163.228 134.931 136.663 -77.201 155.001 -85.281 120.342-145.031 166.092-176.411 123.657-171.563 166.074-133.041 118.259 32.613 0.000 0.000 94.514 111.393 141.181-100.970 93.695 -28.590 165.973-117.410 91.545 -61.722 152.215 158.936 92.880 21.837 146.890 99.622 127.510-162.303 0.000 0.000 107.902 166.168 151.568 0.935 96.916 97.388 140.000 -71.519 131.069-165.713 131.122-109.627 117.249-176.783 121.581-107.581 93.607 84.088 160.456-127.082 92.102 47.160 130.654 -78.001 106.372 -95.844 78.527 -85.324 93.825 -32.043 146.790 -26.196 92.407 163.813 129.478 -76.571 93.395 64.053 133.933 -28.799 123.427 -61.272 122.216 -41.569 91.495 140.673 129.088 -75.360 92.042 63.693 133.445 155.515 91.924 81.324 133.844 -52.127 91.318 26.771 129.620 -77.159 112.574 -82.108 102.125 -93.393 121.201-162.026 121.225-126.980 92.185 -26.940 146.601-106.879 120.238-166.489 160.734-172.576 123.749-155.556 139.320 -88.884 93.827 65.432 124.329-151.401 93.693 -58.142 155.496 -32.543 117.983 84.724 169.973-161.357 143.213-178.909 0.000 0.000 124.061-166.959 166.700 -85.849 96.631 171.271 86.768 -75.550 94.025 69.076 0.000 0.000 118.653-132.774 167.001 -89.449 118.948 -70.561 168.601 -30.788 92.933 122.794 136.997-115.588 93.703 72.757 90.174 -54.576 94.830 141.914 116.243 -83.987 91.713 2.333 144.457 -27.396 112.800-127.956 141.212 -85.157 123.589 -71.201 94.671 -73.187 92.339 -7.117 115.941-126.125 127.560-100.967 142.684 -77.543 92.446 59.941 136.765-116.567 94.027 68.175 113.647 -95.446 92.621 78.468 147.018-110.671 94.472 84.568 104.903-101.469 117.913 0.000 133.853-147.451 # 18 total E -4.29757E+02 rmsd from N 0.000 %NC 0.00 126.170-133.624 144.352 -83.554 126.075-105.010 99.744 -82.590 103.276 159.705 137.814-155.962 129.186 177.598 168.270 -90.777 93.111 58.983 138.873-103.657 94.655 88.902 141.050 -75.546 94.508 106.338 145.398-111.240 126.917 -96.975 138.564-138.067 124.917-156.533 121.894 52.850 121.695-171.475 158.754 -19.199 109.448 172.599 129.455 -82.476 93.858 60.413 136.232-113.642 93.526 42.422 135.455 62.322 94.369 75.264 0.000 0.000 115.730-136.835 156.285-136.376 132.794-151.310 127.148 -71.116 116.269 -72.554 155.947 -74.070 94.411 -18.333 104.324-108.753 95.527 94.837 0.000 0.000 119.694 163.456 149.498 -3.125 94.583 73.103 141.357 -71.919 96.088 143.833 124.900 -78.906 118.935-179.408 119.708-123.055 93.527 67.636 142.000 126.781 119.585 155.086 155.751 -90.298 114.395 114.713 169.794 -79.375 93.966 53.393 137.644-127.791 92.484-101.914 129.113 -75.806 126.518-155.888 138.813 -4.666 126.017 -75.586 129.296 -69.178 119.948-164.125 152.748 -86.260 92.946 47.131 127.537-100.516 121.589 -76.070 149.474-144.765 120.712-177.935 148.531 -84.535 93.451 86.309 170.788 7.633 93.654 11.071 133.805 -89.258 92.472 -93.065 85.972 -82.507 111.153 150.933 174.120-170.057 91.255 51.935 131.124 -77.778 109.352-158.194 122.298-131.705 130.467-138.058 156.596-150.111 103.089 -36.887 125.192-127.129 94.618 125.668 0.000 0.000 120.006 -90.113 142.861-114.478 94.355 66.309 140.404-133.432 131.321 -27.988 0.000 0.000 118.794-113.333 127.643 -88.783 126.182-171.583 151.780 72.829 95.904 76.448 130.191-106.891 123.098 140.331 112.008 118.268 114.026 -80.220 160.488-171.364 120.938 71.782 148.414 -17.418 107.935 -63.830 145.322 -85.713 119.525-158.068 159.497 0.822 132.231-163.003 149.961 145.535 95.173 94.510 130.778 -99.515 94.389 4.152 115.351-119.979 96.066 -85.285 106.808-117.335 118.187-176.519 166.863 -76.714 126.606 -86.308 166.207 -92.409 118.644 0.000 120.514-127.832 # 19 total E -4.29241E+02 rmsd from N 0.000 %NC 0.00 125.209-110.879 154.573 52.647 126.741 -62.706 147.851 -97.802 119.190-138.996 120.895-118.815 130.869-144.192 135.522 -92.628 122.325-154.951 137.366-118.647 95.047 60.140 144.361 -74.334 94.629 121.659 141.516 -74.624 137.506 159.622 153.017 21.860 92.931 71.331 113.934 -45.185 119.729 -65.166 162.781 -15.057 121.718-134.271 137.313 -86.672 114.111 -61.801 163.059-138.993 92.513 -28.874 100.289-133.035 93.986 99.938 0.000 0.000 126.173-108.804 148.449 -88.559 122.494 -49.862 126.782 -98.153 132.656-150.052 160.707-162.663 124.600 -88.499 119.727 121.687 130.565 -97.384 0.000 0.000 120.745 -94.761 120.980 77.796 131.225-163.363 138.647-110.686 122.780 -75.290 138.948 -99.083 122.704-155.500 165.811 -47.733 127.330-139.098 144.575-104.323 129.932 -87.146 140.493 -98.984 128.237-149.497 168.676 -65.430 131.461 -91.453 150.792 5.750 137.335 -52.207 151.186 -82.303 124.199-178.283 161.207 -40.222 93.865 77.949 144.921 -74.614 91.032 87.466 129.841 -77.362 91.772 53.612 107.151 -92.462 110.745 -92.226 128.069 -86.369 119.707 101.822 148.580 -84.155 126.206-143.983 161.649-162.131 92.750 67.436 81.699 83.885 91.918 99.456 137.229-127.024 133.532 -84.525 166.148 160.572 129.415-161.880 176.438 -88.589 109.520 -2.055 153.966 65.749 95.045-130.668 148.820 -31.526 105.148-157.822 164.101-175.975 94.783 69.386 0.000 0.000 126.223-155.270 170.401 -86.080 125.633 -69.631 148.883 -40.720 134.722 -28.064 0.000 0.000 126.245 160.436 176.422 -67.765 109.063 -36.240 149.472-138.449 93.573 5.793 137.477 -72.527 124.817 -67.534 135.943-129.084 119.961-178.044 121.662 -90.912 93.442 82.251 94.299 -84.102 141.533 -79.307 154.048 -82.981 124.385-145.530 131.595 -91.808 91.871 69.821 136.601 -86.647 93.188 77.119 111.448 -84.194 93.029 65.302 176.308 178.050 94.602 -59.577 105.044 -76.635 117.527-179.141 167.521 -59.403 94.755 86.210 141.561 -79.837 118.250 0.000 118.510-131.129 # 20 total E -4.28065E+02 rmsd from N 0.000 %NC 0.00 111.727 -21.249 156.613 72.342 125.897-109.679 130.845 -91.643 115.916-175.523 82.929 -88.607 128.805-167.650 152.279 -65.029 125.806-154.858 165.816-149.073 118.316 144.757 167.008-136.654 108.454 -43.660 129.963 -89.716 93.028 17.297 176.442-170.648 120.373 -79.791 110.879 -64.075 124.418-161.162 162.644 -4.048 122.498-152.334 163.852 -91.125 125.428-167.466 138.686 -90.471 118.665 -87.313 150.059-127.389 130.131 -39.524 0.000 0.000 123.608-102.041 151.530 -62.893 93.918 31.281 141.558 -76.103 92.275 65.981 108.130 -92.279 113.802 -33.518 122.074 116.263 96.604 74.033 0.000 0.000 93.533 44.913 136.799 -39.792 134.503 -75.178 151.539-120.554 94.325 94.692 113.177-101.767 94.452 2.858 109.522-128.555 95.725 -93.103 130.592 69.063 119.669 176.832 152.769 -92.407 129.745 -78.329 171.135 -49.592 120.943-167.416 149.950 -24.164 111.077 85.901 146.487 -83.598 121.941-102.874 140.253 12.183 121.954 173.005 134.386 -90.972 113.579 94.393 148.895 -97.904 120.364-132.367 136.636 167.986 133.137-124.376 33.911-135.899 131.428-142.804 131.416 -88.730 131.631 -59.478 176.445 140.722 126.673 -0.173 116.937 135.549 136.956 -81.645 138.303 -39.412 138.502-150.555 127.715 -84.188 92.061 -47.901 127.108 -75.084 93.770 -71.705 116.840-124.719 91.842 85.222 148.931-110.090 95.797 23.625 108.678 -93.832 131.992-134.549 0.000 0.000 118.485-100.599 108.587 -63.956 94.680 -4.750 144.593 -16.085 138.461-135.824 0.000 0.000 123.159-160.285 120.434 -91.039 141.088-117.855 130.838-108.853 127.073 -92.191 120.086 -73.858 93.869 39.966 113.268-134.899 92.478 49.503 143.621-153.655 92.122 44.695 155.597 -25.358 91.051 47.189 128.754 -76.434 92.828 47.234 117.731-106.146 92.344 51.396 137.074 -88.779 95.807 -79.400 136.085 -92.721 121.686 158.019 159.819 10.632 94.273 63.422 132.616-104.537 106.716 176.477 167.770 -56.472 127.436-105.962 139.029-135.630 118.332 0.000 139.768-139.646 # 21 total E -4.27524E+02 rmsd from N 0.000 %NC 0.00 91.633 115.044 147.658 40.639 121.095-113.288 134.501 -78.013 122.400-168.568 137.700-149.460 101.401 -63.692 130.122 -77.457 92.821 87.821 124.788 -86.696 95.372 141.077 115.210-112.242 126.308 169.552 125.011 -74.157 122.254-176.968 54.587 -92.169 93.093 62.312 151.691 -80.666 92.322 110.023 157.329 -40.531 93.059 45.860 127.230 -75.245 119.333 177.413 160.101-141.473 118.011 151.935 162.230-160.981 136.885 -80.027 0.000 0.000 120.355-174.486 176.415-131.481 94.585 82.843 141.471 -70.635 92.399 104.491 118.314 -88.115 91.225 -54.756 134.319 -97.704 102.791 -46.868 0.000 0.000 109.159 169.857 123.059 61.444 94.592 75.365 117.918 -61.104 93.976 72.791 125.514 -77.471 94.937 107.413 99.965-114.925 93.415 -19.264 114.590 65.621 92.059 -72.430 152.808 -93.757 95.041 -18.731 143.444 -77.335 93.205 104.051 100.210 -86.958 91.859 54.662 153.504 -85.036 93.186 79.350 117.312 -51.164 122.987 -83.788 169.435-110.884 91.265 77.741 125.556 -75.805 92.129 38.719 140.214 171.231 92.817 61.993 133.837 -45.098 91.511 56.716 127.739 -75.655 122.339 -77.136 136.452-115.737 128.618-165.364 113.548 51.251 109.862 56.322 154.095 -98.498 124.756-159.664 128.438 -96.616 131.978-152.836 153.593 -63.077 126.681 171.324 138.464-140.517 119.462-175.049 128.284 -83.878 119.815 -67.568 155.691-129.124 94.682 56.385 0.000 0.000 116.758-167.722 165.873-120.147 125.752 172.133 107.599 -78.866 108.818 172.697 0.000 0.000 132.129 175.224 131.723 -88.545 111.467 152.221 128.514 -76.403 119.227 -47.563 176.462 -72.338 93.428 23.827 119.162-142.222 117.628 -77.945 122.248 -84.459 93.465 62.789 146.642 -20.677 131.828-140.628 143.942 -86.788 93.586 66.619 149.312 -72.811 92.576 127.548 111.451-111.614 127.762 -72.666 104.993-103.119 94.493 80.954 175.005 7.109 118.068 -86.110 104.017 -71.192 116.130-172.980 137.634-111.812 95.903 49.489 140.430 168.731 116.290 0.000 142.174 126.632 # 22 total E -4.27302E+02 rmsd from N 0.000 %NC 0.00 126.081-127.871 150.176 -80.676 126.276 -87.482 133.136 -86.548 116.331 -67.067 121.003-121.531 91.585 85.372 130.811 -77.051 123.026-104.240 167.435 -90.604 126.763-110.159 123.633 -95.859 95.520 87.219 104.132 -46.176 138.307 -88.299 121.878 -77.556 92.715 71.444 106.902 -52.840 92.420 72.791 142.042 -56.849 131.410-178.347 120.265-101.184 124.636 175.773 155.811 -93.099 109.010 -12.062 164.976-166.348 129.264-133.415 0.000 0.000 123.971-166.701 163.546-127.679 94.245 76.551 139.161 -76.221 92.414 79.653 109.012-101.813 93.540 37.316 135.751 -94.971 132.034 -34.418 0.000 0.000 120.706 -54.310 143.896 -13.419 122.301-145.583 130.172 -94.567 129.700 -79.951 136.277-111.368 126.673-127.763 168.523 -53.207 93.380 83.998 172.993-118.643 119.517-130.640 143.132-109.521 94.163 80.523 176.441 -76.390 92.741 75.456 139.749-137.777 122.109 -78.522 138.250 -91.866 93.122 84.896 127.782-137.946 95.022 125.390 111.410-118.495 91.383 -64.166 124.169 -27.539 94.195 -6.884 128.227-142.205 128.090 -93.711 125.672 151.849 91.931 25.179 132.159 -78.744 93.913 94.116 119.483 -19.295 141.777 -59.707 156.659 -6.718 131.665-132.705 138.831 -56.251 135.373 -94.172 156.298-129.880 135.844-137.004 152.869 -48.961 93.987 122.454 160.387 -18.714 92.877 -35.422 108.659-105.236 92.237 -60.004 162.895-133.417 98.556 -34.096 0.000 0.000 92.463 110.775 124.892 -97.739 93.873 33.830 135.893-160.789 131.156 -55.700 0.000 0.000 132.692-106.304 141.880-105.400 93.253 80.372 143.163 -84.145 95.186 77.882 162.190 -61.441 118.359 -41.908 164.225 10.767 118.115-112.543 154.999 178.867 124.816-150.757 106.317 -76.095 142.246-121.957 141.452-110.554 95.389 97.888 146.356 -71.515 119.309-125.572 108.699-103.540 130.045-123.423 176.431 -55.092 130.849 -91.556 133.267 -46.434 126.085-164.210 107.010 -61.747 121.484-174.186 168.622-159.936 126.770-117.584 126.491-119.066 117.916 0.000 149.943-151.786 # 23 total E -4.26369E+02 rmsd from N 0.000 %NC 0.00 126.211-128.662 148.897 -79.700 125.862 -82.868 134.395 -92.805 116.349-148.975 101.947 -81.762 92.808 -49.419 130.275 -77.140 124.890-176.116 101.054 -68.580 125.317 179.060 174.564 -36.527 116.814 177.547 162.293 -36.806 120.495 105.348 127.129 150.324 93.722 -3.654 98.975 -73.899 92.894 -82.272 113.368 -71.484 118.280-156.327 134.569-108.990 121.168-169.221 69.699 -39.579 131.126 -80.177 176.421-167.590 128.989 -44.662 0.000 0.000 126.007 179.949 150.107 -79.289 122.723 -79.056 143.010-113.850 91.422 40.085 142.271-106.326 108.054 -66.135 111.237-118.165 126.910 -15.902 0.000 0.000 130.742-115.350 140.036 -47.252 117.940-157.376 135.254 -35.756 126.149-165.739 149.585 -97.453 130.285 168.976 157.884-169.948 92.932 52.079 176.496-172.013 133.753-142.695 152.202 -96.895 121.509 -94.927 176.428 -83.539 125.241 -69.932 156.305 9.873 91.092 78.698 127.796 -76.856 91.755 47.836 108.364 -98.765 94.959 74.582 142.582 -73.577 91.606 -68.923 128.620 -76.256 100.564 -52.580 144.970 -81.835 117.889-174.768 130.120 -34.108 123.367-172.619 161.528 -87.750 129.274 175.108 96.745 -83.760 113.057 173.433 166.348-102.801 91.709 71.849 139.967-101.017 93.357 65.219 83.762-138.813 115.705 -41.484 162.532 -96.406 95.013-178.924 168.505 -8.087 94.215 56.735 155.066 -9.216 94.729 110.575 140.197-101.131 121.579 10.774 0.000 0.000 93.636 -64.756 94.729 -86.720 91.597 15.615 100.041 -76.896 122.580 -4.825 0.000 0.000 130.035-120.001 147.736 -90.515 92.255 52.622 82.436 -55.702 94.516 78.041 111.656 -72.429 125.230 -52.409 148.505 149.898 132.771 145.587 101.905 -92.987 119.981 95.896 156.935 -17.995 91.558 -41.539 133.536 -77.829 94.485 -46.878 87.463-112.380 91.731 86.893 138.223 -91.429 128.785 -11.247 137.736-101.700 136.171 -8.451 112.945-106.113 126.737 -82.939 99.395 -90.783 116.604-176.190 168.450 -75.255 127.449-111.810 137.443-151.393 117.822 0.000 149.061-129.011 # 24 total E -4.25734E+02 rmsd from N 0.000 %NC 0.00 126.045-133.555 145.406 -82.356 127.354 -89.487 125.073 -94.996 113.644 -67.499 102.981 -81.457 91.737 77.989 131.226 -77.237 121.081-110.423 140.294 -84.241 125.798-175.007 130.803 -74.352 124.138 -79.829 131.801 -97.752 116.570 -36.990 159.854 -19.746 115.085-167.304 113.676 54.326 126.018-161.025 166.907-104.529 119.806-174.905 161.636 -48.031 126.102 -73.341 162.387 170.673 113.434 -94.689 128.230-112.262 120.108-178.356 0.000 0.000 93.089 90.267 137.297 -89.631 95.009 68.332 140.692 -74.664 92.702 -93.865 158.981-123.837 114.834 141.956 107.059-114.160 137.134 -82.044 0.000 0.000 118.349 -79.516 140.474 -1.884 122.939-164.811 132.791 -90.030 124.579 176.553 141.432 -88.034 94.663 64.143 141.858 -75.818 92.723 139.255 131.463 -76.057 91.251 83.178 176.371 -86.728 92.051 71.171 115.034 -92.634 91.394 92.991 147.473 -21.561 90.991 -6.112 126.351 -75.713 103.078 -80.108 151.046 -34.451 125.582-168.210 167.790 -34.007 91.538 77.906 147.826 -76.032 93.465 17.324 122.421 -75.815 97.673 -84.986 83.958 -55.067 122.409 177.815 157.805 -85.313 93.757 97.908 81.376 -74.932 127.186 -88.014 106.686 -87.501 91.631 96.366 139.793-135.516 113.935 132.227 140.657 16.947 128.644 160.185 146.307 -62.924 94.737 86.266 159.726 -7.027 120.946 -80.758 110.126 -84.408 93.840 -28.574 145.022-107.015 138.008-135.480 0.000 0.000 102.553 -31.562 158.612 159.734 91.906 -32.695 136.205 -10.266 113.050 -24.037 0.000 0.000 116.231 -74.885 127.158 -97.558 94.032 156.787 154.089 85.817 124.844 166.386 176.474 -73.051 129.324 -76.413 147.385 37.162 95.151 0.437 145.276-135.593 95.543 83.470 148.999 -14.985 121.972 174.669 142.720 -56.901 126.880 178.719 147.359 -77.880 113.432 162.910 110.904 -45.603 94.693 49.968 113.493-131.690 122.800 -72.763 174.047 161.670 121.901-165.925 128.616 -54.943 122.463 178.624 120.569-108.928 128.848-123.837 141.093-130.382 117.422 0.000 159.221 -93.980 # 25 total E -4.25197E+02 rmsd from N 0.000 %NC 0.00 91.556 50.824 125.599 -85.385 125.290 -91.327 144.788 -92.833 118.956-131.251 122.918-122.382 122.438-138.596 158.366 -74.712 132.155-170.930 159.454 135.185 93.936 15.572 161.620 -75.777 115.395 -96.071 163.110-121.515 121.211-171.773 110.295 44.564 118.695 -71.865 110.806 -54.279 105.728 -55.893 154.335-177.777 122.645-166.129 150.551 -74.145 111.498 155.278 117.568 -91.322 126.132-179.145 151.205 62.194 107.181 -8.188 0.000 0.000 109.875-103.210 127.131 -74.975 120.808-168.329 167.263 -49.063 124.557 -83.599 151.216 137.551 114.775 -60.518 115.267-117.788 116.996 -18.713 0.000 0.000 92.699 83.245 115.638 -41.746 94.635 110.651 168.052 -76.322 94.496 -4.960 138.876 -73.268 120.453 -95.513 122.525-120.992 129.638 -55.723 149.524 -67.491 130.621-141.877 143.280 -83.292 130.054 -73.039 147.870-127.319 130.433 93.261 153.149 -17.045 90.892 -45.359 129.522 -76.082 94.511 -39.419 123.880 -32.113 93.705 135.358 134.888-104.155 123.328 48.674 151.145 -82.274 121.215-128.270 128.757 91.072 121.562-121.412 110.020 138.297 91.708 38.297 136.420-135.754 94.009 72.744 123.479 26.181 131.839-107.950 151.157 120.522 123.856-136.918 116.096-163.823 93.582 47.243 129.628-140.286 91.270 86.408 131.389 -77.210 92.539 51.329 155.811-110.639 92.602 48.381 157.169 -14.238 111.081 -91.561 115.470 -93.714 120.886-159.357 0.000 0.000 126.010-105.656 163.231 -84.775 93.773 136.533 95.505 -86.162 137.483 -76.085 0.000 0.000 93.047 50.112 116.502 -66.277 94.723 89.659 71.205 -83.438 94.513 -19.463 142.939 -68.267 104.277 -66.593 166.815 13.910 92.443 -2.563 157.035 -19.680 117.974 163.863 109.561 -70.399 92.098 -19.917 127.663 -75.365 124.939-125.711 149.781 -91.576 92.659 93.878 143.289 -72.906 94.811 40.495 122.696 -90.747 124.532-151.141 153.779 16.521 118.164 -49.051 164.110-112.308 98.161 -65.984 147.000 -78.799 124.278-116.581 165.502 -59.243 118.820 0.000 137.479 176.383 # 26 total E -4.24016E+02 rmsd from N 0.000 %NC 0.00 91.577 56.223 127.496 -68.894 127.238 -81.228 164.970 -73.596 117.463-135.711 145.783-160.832 131.741-101.555 147.858 -88.780 113.725 105.655 169.933-138.352 93.650 4.766 142.433 -73.630 95.259 -90.695 125.523 -62.066 115.009 170.466 120.103 -48.106 92.761 51.325 109.039-114.640 125.947 -62.823 174.483-163.704 118.862-173.601 165.066 14.997 118.281 105.974 161.881 155.644 94.581 61.828 135.765 116.656 94.625 28.733 0.000 0.000 98.978 -87.335 131.292 -74.261 122.240-176.106 129.843-102.609 109.269 90.200 138.064 -59.338 93.133 117.869 117.583 106.484 135.659 -79.071 0.000 0.000 93.703 76.695 118.720 -37.838 132.055 -94.637 137.772 -61.004 130.821-154.638 172.649 -64.658 127.159-149.429 118.760 -72.118 132.346 -86.688 171.199 130.194 126.641-155.788 149.220-106.621 129.642-167.975 162.980 -34.339 116.559 -94.001 151.616 -17.482 91.802 52.057 128.939 -75.655 92.558 59.904 118.551 -35.649 94.254 78.615 141.117 -72.568 91.744 -61.798 123.954 -74.234 120.127-146.590 147.096 108.480 92.328 110.909 134.189 -63.127 91.766 0.492 127.167 -78.110 106.129 -71.714 152.194 150.341 94.567 -10.466 132.609-141.609 92.948 109.000 155.708-121.832 135.978-125.226 137.633 -26.289 128.609-164.434 154.652 -82.360 94.347 56.008 144.155-156.564 125.889 -99.881 116.274 -80.196 94.763 162.289 154.952-128.645 117.723 161.570 0.000 0.000 93.212 96.769 128.138-114.726 92.874 13.691 95.284 -85.842 122.576-106.530 0.000 0.000 125.161 111.715 135.765 -84.777 122.478 -65.363 143.296 139.940 120.411-155.145 134.625 -50.360 130.781 -85.584 135.088-170.915 125.330-155.510 108.118 -95.764 96.287 -7.949 150.114 -20.816 93.425 137.765 129.903 -76.579 112.727 -50.119 167.988 -3.532 92.111 6.364 129.116 87.939 120.560 -93.683 122.900 -69.139 132.771-170.889 160.713 161.267 93.745 66.636 138.983 -69.487 93.313 93.380 141.665 -75.316 122.283-117.202 117.332-101.390 118.252 0.000 143.966-166.954 # 27 total E -4.23507E+02 rmsd from N 0.000 %NC 0.00 91.570 60.762 136.125 -77.304 123.009 -79.018 127.437 -91.257 118.315-137.163 114.513-109.674 132.077-127.104 144.298 -85.853 94.655 44.356 163.143 144.610 95.547 103.491 144.381 -70.691 93.033 -21.785 143.712 -73.320 104.338 -64.663 109.287 -41.686 95.968 176.853 125.134 -62.619 92.464 -24.332 137.991-162.503 121.500-142.129 149.491 -75.391 123.406-177.735 163.972 132.360 120.802 -47.526 120.601 -97.955 129.456-162.571 0.000 0.000 118.644 176.176 176.519 -86.831 95.079 93.900 132.063 -97.837 92.403 -73.493 135.491-122.581 93.385 95.228 104.680-117.104 139.588 1.965 0.000 0.000 136.585-107.780 130.193 47.104 132.433 -56.109 163.853 -23.779 118.812 -14.874 148.364 -93.496 116.970-168.037 131.741 -96.208 92.023 92.178 164.278-133.984 91.070 66.970 131.000 -78.130 92.770 75.356 128.041-108.829 93.446-164.733 140.566-164.229 91.370 89.059 129.434 -76.254 91.948 94.296 124.462 29.806 112.401 -74.626 100.661 -57.724 91.278 83.583 171.376 -86.828 91.895 51.873 134.185 -68.859 93.014 71.755 141.883 -70.477 91.333 -72.801 129.063 -77.225 111.488 -50.220 112.579 -89.634 93.068 153.970 138.644 99.538 91.876 61.528 144.638 -87.826 135.055-158.552 99.944 -74.278 129.094-164.569 146.556 -78.660 93.548 70.156 140.025 -95.430 93.053 57.732 148.936-112.892 118.859-125.575 127.140 -92.893 134.127 -50.310 0.000 0.000 122.749-154.497 114.720 -67.075 93.796 46.357 114.595 -81.448 144.651 -19.917 0.000 0.000 129.216-128.221 167.556-124.934 126.826-149.666 158.442 111.373 120.494 19.695 128.466-106.625 120.706 -87.893 140.067 152.641 118.816 51.861 161.482 -13.110 92.669 -68.147 141.655 -87.996 92.373 157.993 132.544 -78.158 119.587 -6.632 113.995 -40.155 123.915-125.201 152.833 81.257 130.540-142.439 124.955 -95.327 128.064 -94.738 156.202-138.639 133.045-148.389 151.370 16.229 123.366-175.193 169.736 -40.955 94.993 60.254 139.987 -73.314 117.384 0.000 140.378-178.694 # 28 total E -4.22883E+02 rmsd from N 0.000 %NC 0.00 91.618 108.730 132.421 -81.026 125.514 -89.186 126.027 -77.188 114.017 -69.736 133.760-142.627 91.620 86.668 130.770 -77.070 123.424-106.312 144.010 -74.850 126.139-127.949 130.506 -46.000 95.919 108.412 146.058-125.985 127.371 33.224 174.070 24.896 109.418 -20.631 123.507 -45.191 93.092 -56.266 152.022 -42.688 93.533 74.023 113.261 -97.693 129.224 154.689 169.221-165.465 127.840 -81.745 168.331 -5.894 130.010 -32.193 0.000 0.000 125.974-111.638 156.557 -70.989 93.872 66.067 145.379 -79.123 92.252 84.742 124.408 -93.351 117.477-100.953 117.622 113.854 94.745 110.431 0.000 0.000 122.630 -82.650 150.675 95.690 128.304-160.749 166.667 -9.213 94.883 58.256 157.032 89.988 116.224 -79.253 112.062 -79.005 115.790 179.935 152.418 -62.038 91.673 67.051 133.730 -79.143 93.440 102.398 118.543-136.324 91.830 95.587 135.423 -17.844 91.153 -9.191 128.977 -76.192 100.956 -81.987 125.185 -25.993 122.098-174.270 136.637 -77.159 92.203 143.969 125.752 -69.516 92.795 77.316 132.511 -91.322 124.981-123.130 91.357-115.981 123.786 -70.961 176.185 -86.158 121.755-179.632 148.576 16.428 92.723 65.668 101.984-128.354 115.419-179.813 124.634 -14.572 119.453 164.267 143.068 143.662 123.604-102.592 143.282 -91.805 93.849 47.443 125.112-156.796 93.213 68.771 152.265-123.711 113.604-163.139 145.584-122.606 129.491 174.767 0.000 0.000 120.918-160.132 167.114 56.070 126.887-175.172 146.841 -30.968 121.666 167.894 0.000 0.000 115.374 113.395 135.528-100.767 123.643 -62.854 97.699 -52.978 116.511-159.324 123.397 -78.355 126.419-173.978 136.064-164.002 92.937 65.233 148.260 -35.032 93.163 79.305 145.245 -23.013 118.921 -78.036 138.371 -61.668 124.747 175.990 124.016 -46.076 92.651 87.636 124.734-112.921 94.155 0.092 119.597 -95.446 98.063 -83.598 173.445 168.838 113.717 172.215 131.321-109.202 116.025 110.016 164.235 -38.256 124.230-103.944 161.403 -30.895 117.278 0.000 139.613 -94.269 # 29 total E -4.21542E+02 rmsd from N 0.000 %NC 0.00 91.558 59.477 134.899 -79.248 123.454 -90.290 116.356 -82.831 115.706 -95.085 133.360-140.387 91.787 54.425 131.711 -77.471 94.263 68.790 173.510 -59.883 94.942 126.915 167.340 -58.675 124.978 -77.753 136.224-106.678 127.839 -2.275 114.324-101.869 116.753 -0.858 77.744 -90.493 92.533 83.766 135.281 -28.049 93.616 118.577 115.682-110.950 115.727-104.507 155.255-154.608 94.859 28.664 113.500-138.913 95.880 69.622 0.000 0.000 93.192 101.038 159.648 -98.326 123.520-118.290 169.546 -78.726 112.924 -78.325 156.391-173.168 92.220 21.291 116.683-119.828 122.972 -0.821 0.000 0.000 135.948-103.885 121.276 -97.845 129.239 -99.767 135.254 -75.615 95.201 107.018 122.069 -50.506 128.075 -97.268 147.950 -94.415 131.924-153.912 176.462 -95.933 101.774 -58.907 153.511 -93.372 93.595 -28.825 165.928 -98.589 92.672 105.771 145.318 -32.779 92.552-167.497 132.593 -76.692 88.940 -58.416 122.968 3.172 93.436 7.068 144.011-116.366 114.193 -55.725 144.642 -89.097 96.074 -25.227 138.138 -81.401 93.160 108.777 136.182 -71.337 125.173 171.412 148.716 -87.937 92.936 68.573 118.189 -40.620 92.530 93.659 157.910 140.689 91.632 68.703 155.556-175.434 117.819 -78.241 108.041 -95.676 126.423-150.932 153.781-106.976 132.160-149.746 140.357-145.405 113.247 -59.311 118.401 -81.045 93.612 170.944 156.992 -54.513 137.519 178.680 0.000 0.000 108.404 164.124 164.022-133.921 126.972-177.990 147.365 -19.449 112.316 154.166 0.000 0.000 125.114-112.425 147.674 -99.634 112.649 177.055 153.541 76.559 94.818 82.367 165.656-110.799 93.935 71.970 107.847 -68.701 93.640 -62.308 146.899-129.565 120.120-151.643 113.425 -74.814 127.284 -91.514 147.528 -88.135 130.690-156.940 173.819 -69.920 122.491-133.618 152.849-107.272 92.858 57.012 143.066 -73.962 92.012 66.100 172.917 4.482 93.606 74.341 101.618 -71.653 92.826 86.784 144.606 -75.093 120.373-117.871 106.377 -94.564 118.629 0.000 139.769-170.503 # 30 total E -4.19977E+02 rmsd from N 0.000 %NC 0.00 125.149-111.267 156.562 89.104 128.794 -86.285 148.672 -90.784 118.812-133.869 124.427-125.463 124.414-149.601 150.173 -75.049 93.423 55.821 136.232-124.483 94.722 59.173 146.482-111.599 93.459 53.882 134.199-127.990 93.510 30.325 110.877-131.226 113.954 -77.416 147.040-103.113 113.397-162.240 142.254 -41.830 120.322 -66.491 116.710 -97.229 92.788 -2.952 114.999 -98.334 111.973 63.878 150.347-116.296 127.739-171.318 0.000 0.000 143.057 160.148 141.621 -51.358 94.730 48.717 115.040-108.532 139.391-112.382 176.503 3.047 94.320 76.614 110.654-115.834 129.053-132.446 0.000 0.000 131.372-142.190 139.653 -54.738 93.902 72.688 117.781 -59.221 93.853 93.550 142.179 -75.762 94.359 148.518 109.188-113.398 92.251 77.126 97.415 27.816 91.983 78.199 130.710 -77.287 115.967-140.113 163.739 -95.963 93.564 42.787 101.415 -85.007 91.852 73.022 129.040 -75.430 108.208 -38.134 126.864 58.776 94.765 83.288 112.511-126.098 91.259 5.134 128.285 -76.014 105.812 -96.416 154.312 -48.479 120.845-171.016 156.280 -91.974 122.028 174.343 159.806-101.440 126.105 170.027 148.211 12.452 93.291 68.853 120.681 -97.380 125.901 -80.113 131.664 16.621 124.050-162.665 141.875 -19.116 130.441-128.979 152.543 -92.077 122.335 -91.030 140.257-155.475 93.866 66.631 149.724-120.266 119.110-154.363 174.977-164.262 124.411 170.209 0.000 0.000 126.161-163.102 146.449 -97.364 119.871 171.251 105.497 -83.147 123.057 171.574 0.000 0.000 95.078 73.894 167.331-112.288 111.869 -37.058 101.659 -49.170 115.374-109.548 165.993 -9.792 114.807 153.296 126.460 151.467 92.765 78.406 151.417 -27.988 94.744 60.540 143.369 -7.400 91.204 -84.075 161.575 -75.699 95.176 -30.113 165.366 -22.497 94.903 166.729 127.044 -88.197 95.702 1.429 106.682 -81.983 112.187 -89.303 135.722-121.661 121.928-155.571 166.077 -55.517 125.466 -90.603 158.332-178.700 95.325 63.322 124.666 -87.612 117.170 0.000 140.691-167.240 # 31 total E -4.19690E+02 rmsd from N 0.000 %NC 0.00 126.074-138.394 139.000 -76.278 125.009 -85.417 131.689 -93.351 117.113-149.168 100.355 -82.943 125.687 178.134 152.230 -89.338 93.844 65.116 161.021 135.227 95.084 117.457 124.543 -80.357 119.584 -80.206 73.746 -82.203 94.497 49.769 143.126 135.022 123.871-155.212 172.167-117.754 133.761-176.692 158.599 88.917 92.535 56.361 118.870 -95.446 94.395 78.160 124.095 -93.102 87.710 -78.118 147.031-112.962 91.573 -38.116 0.000 0.000 112.857 167.296 176.495-116.764 94.266 114.445 143.629 -75.467 116.744-175.212 135.951-107.850 119.046 -57.859 145.364-110.380 94.750 51.029 0.000 0.000 119.443-169.388 100.587 64.549 135.733 179.729 166.274 -49.546 94.929 95.674 108.868 -84.230 139.266-102.734 123.348 -83.126 128.381 -77.499 120.020 -51.681 127.766-159.429 148.090-114.485 125.817 171.562 164.278 -23.375 93.049 103.459 135.330-139.714 91.514 -12.131 127.615 -76.189 95.379 -79.973 122.606 -36.398 114.606-178.932 131.324 -44.298 91.016 75.859 130.670 -70.427 91.942 68.369 116.311 -57.160 93.162 82.477 115.590 73.539 91.387 -46.167 132.172 -76.750 117.928-111.123 119.736 -76.360 91.945 49.002 94.529 59.141 91.465 93.497 132.058-109.081 93.692 46.870 90.880 -67.909 123.161-130.268 172.131 -87.717 121.583-176.523 142.151-104.570 118.546 177.678 165.022-152.544 120.599 174.482 121.211 -93.785 124.521 167.283 0.000 0.000 116.349 111.620 166.286-112.004 118.734-111.658 99.359 -78.728 118.827-177.060 0.000 0.000 112.393 99.063 165.319-116.574 97.020 -11.705 114.538 -56.324 95.138 -73.223 136.217-110.526 118.132 176.129 146.031 109.250 93.543 103.445 146.199-116.296 93.153 -14.725 107.183 -74.563 92.034 -74.801 130.993 -77.348 113.724 173.319 152.107 -25.185 92.307 82.373 135.562 71.626 124.541 -91.242 126.447-111.002 125.492-163.687 156.014 -2.476 122.926 -67.675 145.358-129.111 122.650-164.309 137.363 -80.096 126.948-117.987 134.498-115.217 117.819 0.000 148.798-158.212 # 32 total E -4.18108E+02 rmsd from N 0.000 %NC 0.00 125.495-150.007 126.040 -93.472 126.041-121.075 163.329-135.103 109.152 -57.155 102.480 -85.490 91.333 79.922 156.783 -86.483 121.327-123.256 120.382 -65.164 116.928 -47.141 147.598 56.141 94.565 11.058 143.629 -74.007 123.252 -63.491 115.451 -79.963 92.240 120.059 95.293-145.184 114.243-152.815 137.238 -78.577 94.653 58.429 98.293 -95.004 116.335 129.776 162.070 149.609 126.405 162.072 158.255 -57.498 94.638 56.799 0.000 0.000 93.636 175.689 176.543-115.330 94.997 101.200 148.741 -72.572 115.654 -86.396 126.932-102.464 93.229 71.816 103.634-125.666 125.019 16.354 0.000 0.000 121.715 7.368 139.434 -18.514 94.812 68.485 138.136-110.093 92.648 46.631 116.277-110.363 93.639 56.930 139.836 -75.361 93.754 163.436 131.371 -62.838 91.396 110.664 135.588 -31.556 93.472 81.229 103.776 -82.942 92.466 153.491 146.816-132.959 117.981 48.542 141.942-108.906 109.743 -57.103 134.839 47.151 94.939 -21.994 160.799 12.235 92.201 123.177 129.975 -76.493 129.395-112.240 153.610-101.442 109.124 -40.212 139.251-136.086 91.286 -47.749 128.480 -76.024 106.828 -33.616 160.165 13.138 92.716 88.450 134.562-130.455 123.688 154.744 124.350 -68.028 108.505 111.787 156.437 14.224 92.007 85.264 129.367 -76.366 114.340 159.213 175.481 -13.541 93.058 66.089 153.901 -29.040 94.066 35.406 139.759-100.697 95.102 72.878 0.000 0.000 92.423 78.258 124.140-118.982 92.539 26.734 90.984 -81.853 121.649 -57.409 0.000 0.000 124.362-176.004 124.803 -70.753 93.614 69.746 128.912-100.773 132.463-127.344 133.342-116.311 130.315 -73.859 128.129 119.014 124.255-171.157 152.993 -38.092 113.304 -61.154 158.564-136.197 114.025 179.838 146.547 -79.490 134.260-165.464 175.513 -60.594 92.377 46.894 167.490-115.336 96.641 68.879 104.413 -69.221 133.025 -87.638 169.225 23.159 94.493 79.443 141.659 -76.570 93.182 70.694 138.539 -71.833 123.843-118.667 110.942-139.635 117.489 0.000 155.729-135.832 # 33 total E -4.17067E+02 rmsd from N 0.000 %NC 0.00 91.606 111.418 128.807 -57.786 130.161-104.851 172.888 -79.406 133.238 103.292 107.540 -94.168 91.260 -52.958 130.352 -77.350 93.931 -21.138 140.902 -73.617 122.407 179.266 160.354 -65.920 94.366 95.617 146.063 -75.478 125.944 -95.242 107.795 -69.600 124.757-172.256 112.432 -58.019 113.600-178.682 157.870-171.935 137.334-179.422 166.569 -94.122 118.725-169.695 170.769 170.534 94.457 98.816 146.790 57.512 98.736 -4.742 0.000 0.000 92.939 -78.517 131.139-105.497 96.443 172.161 128.316 -99.640 92.118 98.370 148.208-176.115 93.482 57.353 81.234 94.101 115.599 179.831 0.000 0.000 126.745 169.105 138.726 -27.699 126.149-110.927 119.213 -76.584 94.922 88.299 121.876 -57.185 131.857-102.142 129.309 -51.721 131.388 55.400 139.522 -70.600 117.710-101.289 145.619-103.703 122.658 81.509 166.348 42.070 95.208 -8.631 143.215-167.638 92.782 110.828 129.578 -76.563 139.587 -80.558 150.993-168.049 128.786-163.228 146.306-100.090 127.182-158.835 132.964-118.317 91.856 55.763 156.080 -58.845 91.164 60.018 67.366-104.031 90.783 62.861 122.819 -71.498 92.502 48.289 107.594 -66.226 92.309 52.696 85.437 -43.068 91.743 28.563 138.269 23.672 117.140 -77.499 117.708-125.221 113.184-172.527 124.441-105.314 93.870 78.757 104.529 127.861 92.215 60.767 156.803 -17.633 94.459 127.712 102.722 -90.591 139.512 -89.501 0.000 0.000 113.084 -62.750 141.318-132.999 92.977 -25.912 137.417-120.383 95.011 103.220 0.000 0.000 123.038-114.137 164.709-117.619 122.001 -63.278 159.764 -76.749 95.573 69.760 162.331-122.196 149.134 -55.910 156.112 16.634 122.811-149.485 127.208 -87.253 125.073 75.608 110.088 -80.073 108.000 130.766 142.251 -78.612 127.279-118.224 115.566-135.948 125.711 -69.819 141.110 -75.915 94.206 5.436 116.962 -85.731 121.796-174.256 123.909 -88.442 93.706 85.746 136.060-116.231 92.947 80.984 108.304-113.567 94.547 89.318 140.216 -73.947 118.280 0.000 128.417-146.976 # 34 total E -4.15024E+02 rmsd from N 0.000 %NC 0.00 125.228-132.018 165.079 50.830 125.501 -77.449 140.742 -90.759 118.260-155.119 120.780-121.016 130.260-162.971 151.006 -88.979 125.604-142.295 169.781 -91.129 122.583 -77.808 115.204 -63.675 93.173 54.974 98.130 -67.236 114.956 147.649 141.127 48.380 92.828 60.627 115.465 -57.068 92.626-175.020 145.386 -48.896 121.257 173.464 166.204 -85.570 106.394 -49.314 135.681-105.533 93.409-177.635 158.048 -43.695 135.133 170.659 0.000 0.000 93.382 126.274 135.930 -90.628 125.060-166.007 110.344 -74.863 117.308 173.723 139.272-113.131 124.580 -72.301 112.332 115.863 126.714 -11.851 0.000 0.000 135.400 -85.402 143.060 -10.768 129.143-143.462 164.097 -52.489 129.134-118.699 122.740-113.186 127.710-161.682 161.894 -18.828 92.386 70.489 140.995-114.811 114.333 169.429 137.268 -83.888 93.298 70.263 131.158-102.157 91.627 124.097 131.927-151.726 91.455 11.871 130.296 -78.212 115.811-121.206 145.068 -13.045 126.215-171.645 160.349 -9.377 109.171 99.417 140.862 -82.897 93.155 -15.278 104.948 -82.678 93.497 -71.930 126.458 -79.028 114.795-172.528 143.744 -83.438 127.362 172.512 143.658 146.533 122.862 121.874 123.051-105.403 106.003 -89.108 96.982 -75.536 93.896 27.310 115.641 -14.564 129.220-145.890 136.941 -67.380 93.894 52.739 116.748-158.924 93.277 146.820 163.503 4.528 119.300 40.076 171.883 -26.074 94.875 114.626 0.000 0.000 92.200 -41.922 160.783-177.541 92.607 -42.082 139.442 -17.295 107.517 -11.337 0.000 0.000 124.224-116.960 151.020 -74.539 112.058 -6.448 139.291 79.408 95.583 117.976 118.028-109.891 130.146 -93.511 138.259 149.508 92.842 38.820 151.212-147.640 92.211 106.801 130.489 -32.427 156.877 -96.752 147.100 -89.157 120.943 160.712 154.654 -11.226 92.611 65.466 137.184-112.028 119.305-117.307 105.570 -79.786 114.847 155.035 111.294 -80.816 93.707 85.058 117.034-114.020 93.046 78.725 107.419-123.914 94.553 85.760 140.849 -74.465 118.139 0.000 129.585-151.521 # 35 total E -4.13402E+02 rmsd from N 0.000 %NC 0.00 126.121-130.696 149.052 -81.344 126.527 -81.783 124.877 -81.521 114.033-158.118 141.939-156.043 129.136 -72.595 150.935 -92.427 128.559-147.936 138.356 -53.649 114.765 -56.738 122.717 -96.699 109.620 173.385 157.658 -49.261 131.925 -82.398 144.318-172.585 94.644-172.574 114.325 45.996 125.365-177.535 146.671-172.080 125.623-173.389 168.784 -66.071 114.485 154.870 146.534-102.925 100.458 -65.759 134.886-107.284 92.779 46.235 0.000 0.000 116.518 -87.980 106.339 -92.154 126.609-178.299 134.414 -82.412 92.891 114.635 133.466-177.649 136.262-113.422 152.911-132.642 128.175 1.179 0.000 0.000 137.880-123.709 134.639 -15.534 125.429 -74.347 128.938-102.066 95.454 87.209 142.646 -74.089 96.732 -40.716 113.506-110.127 132.197-173.318 161.871 -71.753 115.728 93.238 175.821 -83.874 93.325 0.645 164.891-113.788 92.476 -91.411 98.273 -77.478 126.841-165.731 98.656 -22.068 109.504 -7.383 132.940 -12.320 128.796-124.684 155.524 25.499 129.945 -82.210 126.238 -73.325 130.723-173.581 158.319 166.215 111.945 83.689 146.016 -53.488 91.694 -44.222 129.033 -76.250 120.137-166.469 146.590 134.949 124.114-167.099 128.812-112.290 91.876 75.706 112.935 112.660 128.508 -84.450 100.392-105.349 118.466 -84.398 130.656 -89.604 120.853-167.223 141.477 168.619 129.482 167.928 130.980 -92.653 109.505 -0.521 168.078 162.579 94.347-178.797 0.000 0.000 136.840-170.481 130.278 -58.968 92.053 -16.316 135.565 -27.877 117.933-130.053 0.000 0.000 122.222 -88.307 123.501 -75.614 114.097-177.348 148.365 101.631 129.135 -55.404 155.219 72.371 120.658-161.290 128.506-131.264 94.527 75.972 152.471 -25.701 94.226 148.024 144.909 8.835 116.069-174.626 149.201 -89.598 123.080 -86.023 119.064 -42.891 93.181 3.940 138.130 -86.448 96.800 78.374 102.723 -89.016 128.417-171.349 153.730 120.853 127.105-148.092 116.132 -69.008 121.720-138.740 102.222 -63.027 127.842-112.630 147.655 170.476 118.106 0.000 146.215-162.103 # 36 total E -4.13387E+02 rmsd from N 0.000 %NC 0.00 91.579 55.489 134.283 -71.206 95.078 81.118 137.578 -75.616 122.158 168.913 114.103-109.034 123.936 177.848 151.720 -93.185 118.600 105.768 167.169 -85.879 125.963-121.644 110.603 -83.234 125.403-164.740 138.272 -71.344 128.309-101.330 139.823-151.991 136.940-154.246 128.278 -60.112 122.413-167.937 163.651-143.566 93.615 -42.101 138.384 -70.892 117.567-144.044 130.553 -86.327 105.120 -70.636 144.845 -92.132 119.128 -39.075 0.000 0.000 91.689 73.546 136.391 -91.766 93.690 47.291 106.533 -55.277 92.602 55.325 176.449-151.849 94.438 22.198 135.467-109.506 97.366 58.594 0.000 0.000 93.259 83.277 115.847 -42.951 123.604 167.352 169.091 -38.848 111.546-179.441 124.795 -73.140 128.304 -88.558 150.616-166.965 125.312 147.731 116.110 71.880 91.734 27.056 130.424 -77.021 115.697 -89.772 169.891 -86.891 115.965-179.994 105.874 -84.792 126.854-174.319 136.415 -68.388 92.472 58.647 124.883 -10.016 95.241 102.502 144.029 -74.848 118.017-121.947 137.728 -75.922 92.092 48.148 147.850 149.057 91.792 52.052 133.675 29.364 91.139 46.421 128.921 -77.198 92.663 49.145 135.813-117.771 92.309 80.308 130.920-148.691 92.108 136.468 122.549 -81.020 129.136-102.324 141.622 141.730 123.508 108.540 146.188 -86.909 114.129 148.390 137.751 161.927 93.475 80.103 152.490-106.438 93.517 8.532 139.962-102.405 102.464 -84.472 0.000 0.000 118.791-178.205 140.786 -96.750 119.503 -76.604 88.140 -75.444 121.703-169.572 0.000 0.000 119.812-169.583 165.743-145.474 124.850-172.731 176.481 29.374 126.685 176.097 127.085-128.060 116.177 104.488 148.063 115.852 92.736 -4.822 147.560-126.597 92.907 -80.327 153.964-117.140 116.538 178.365 126.098-145.611 94.749 3.815 152.301 54.193 124.813-110.437 150.982-123.388 123.341-151.461 162.968 -18.444 94.021 61.480 137.067-116.837 126.389 -96.942 101.619 -59.102 118.428-174.824 136.280 -92.008 126.422-116.230 164.693-152.175 118.459 0.000 142.747-161.612 # 37 total E -4.12711E+02 rmsd from N 0.000 %NC 0.00 91.556 51.040 124.543 -76.547 130.664 172.744 119.708 -89.438 93.520 26.483 103.280 -89.456 106.753 -61.963 142.000-100.499 125.164-143.037 163.880 37.306 126.427 -90.452 88.289 -92.213 109.521-171.884 160.241-106.657 138.682-177.279 150.497 26.650 93.039 39.297 95.378-127.910 116.195-158.306 162.368-152.782 123.251-169.900 170.223 -60.187 137.293 157.279 137.409 -94.299 117.281 -76.848 145.932 63.909 96.988 -2.560 0.000 0.000 93.260 87.798 142.325 -91.317 95.705 159.272 134.610-103.484 92.358 170.415 163.090-158.718 137.061-103.020 130.291-109.868 123.510 2.918 0.000 0.000 126.337-173.971 141.848 -26.748 94.993 78.229 122.808 -56.360 138.039 158.749 159.370 -86.141 111.637 128.581 163.079 -83.510 92.503 -42.830 132.926 129.962 91.601 -32.992 151.464 -89.467 121.738 -96.762 122.820 -74.180 91.504 60.766 84.947 -75.557 90.916 49.351 128.379 -75.927 91.947 47.857 120.889 -14.187 94.480 63.240 122.914 -98.505 92.018 -62.927 129.377 -76.628 123.581-149.127 160.425 -97.644 126.944-105.705 110.303 -26.688 125.108 172.977 150.519 -85.614 94.151 72.237 99.501 -86.670 125.433-107.766 153.732-129.473 91.962 67.837 135.804 -93.202 123.377 165.592 158.016 169.263 124.417-179.189 154.276 -81.359 123.034 175.280 150.941 -20.105 117.760-179.003 127.881 -85.377 120.110 -57.668 154.118-141.002 128.970-141.769 0.000 0.000 124.463 -96.908 170.075-106.044 120.628 -69.754 155.635-154.984 127.558 -15.152 0.000 0.000 123.392-146.836 164.347-115.397 134.840 -92.496 163.420-138.975 129.033 170.318 148.693 -99.687 136.481 41.845 99.107 -82.497 94.656 -31.378 148.553-165.013 114.263-101.529 176.379-163.189 91.373 45.185 127.962 -75.541 94.780 61.224 144.101 -74.361 92.335 64.359 147.723 -89.293 120.210-119.920 119.652-118.715 125.508 -98.704 109.821 -76.429 115.117 -76.079 157.776 170.893 122.980-171.119 147.491 -93.379 95.271 66.541 114.971 -99.984 117.496 0.000 138.118-156.932 # 38 total E -4.12622E+02 rmsd from N 0.000 %NC 0.00 91.596 4.861 132.930 -78.024 126.848-154.522 119.795 -83.096 92.940 84.077 98.927 -72.727 114.965 -58.333 152.355 -77.466 114.948 -92.505 133.010-113.721 128.243-137.682 130.270 -70.451 121.634 -95.055 121.081-128.855 92.716 46.236 144.454-108.445 90.369 57.432 113.895 -44.485 91.120 60.761 150.705 -32.609 90.799 57.941 110.638 -83.245 92.064 43.478 131.162-106.197 100.179 -94.454 115.130 -96.958 119.394-166.897 0.000 0.000 127.428 -86.725 108.047 83.809 130.523 -58.173 176.426 -67.037 93.334 98.326 124.618 -98.300 128.399-104.426 104.354-101.980 131.461 -94.864 0.000 0.000 130.661-153.545 131.317 -26.826 131.168-108.684 128.838-122.418 124.357-162.483 142.105 -68.299 128.565-171.238 142.869-143.733 122.243 -73.910 126.611 -57.377 92.134 -34.002 130.448 -77.571 125.669-169.914 170.745 -69.066 119.599 173.947 144.222 -22.235 112.517 80.814 147.152 -85.353 125.153-102.191 149.734 -7.727 120.793-178.886 157.786 -5.743 91.933 145.414 130.496 -76.436 92.163 79.676 140.060 137.052 94.016 13.381 138.325 -96.224 92.945 -93.456 129.182 -76.377 113.301 144.148 175.657-172.810 92.456 50.729 136.523-148.937 91.560 77.464 126.089 52.365 91.979 82.379 139.226 11.080 91.407 13.549 128.409 -76.545 100.517 -95.831 121.763 142.745 126.893-170.613 160.225 -8.764 93.018 14.969 138.859-104.906 123.808-136.671 0.000 0.000 121.042 176.486 169.861-101.869 113.738 -67.907 155.812-151.880 126.299 -41.954 0.000 0.000 131.628-160.150 123.880 -88.541 119.978 -53.312 141.763 -80.377 93.486 -29.697 141.804 -74.554 93.028 103.061 99.207 -22.900 128.917-139.632 152.246 7.671 93.921 92.911 151.926 -2.198 124.211 -55.358 141.907-102.541 130.568-164.377 133.614-106.340 127.164 -82.017 151.496 -84.723 126.651-160.516 147.063-105.861 122.908 159.185 154.589 -7.191 94.608 76.885 131.201-119.392 122.796-111.684 169.095 -86.304 95.226 72.981 140.956 -74.354 107.102 0.000 109.659-123.166 # 39 total E -4.10769E+02 rmsd from N 0.000 %NC 0.00 125.352-122.113 162.022 64.995 127.512-142.045 169.795 -60.199 92.441 89.797 135.254-154.125 130.883 142.425 120.377-111.706 110.438 103.538 165.660 -88.577 127.163-174.601 176.444-123.963 95.405 121.492 143.912 65.605 113.197 20.336 174.634-179.021 91.229 -66.886 100.546 -61.267 91.842 -7.966 138.733 -50.751 122.876-122.739 152.193 -77.817 125.153-100.821 154.481 121.091 95.874 136.212 157.619 15.060 127.171 -86.162 0.000 0.000 125.207 166.875 156.628-118.618 96.152 68.685 130.841 -88.444 93.155 127.480 133.654 140.286 92.824 48.805 136.888 76.767 125.885-171.149 0.000 0.000 123.713-154.140 144.982 -38.719 120.819-172.060 173.220 -68.050 94.507 95.384 144.000 -75.631 93.229 -7.130 112.444 -83.230 94.481 -81.211 121.195 -88.739 92.593-179.469 131.481 -77.664 128.235-164.129 174.804 -90.858 113.008 -80.281 146.192-145.124 128.156 -85.554 129.191 -98.054 92.183 76.906 106.385 -60.099 94.205 86.495 107.317-111.287 91.787 -57.862 127.903 -75.140 130.645 170.392 148.490 165.324 116.706 51.316 87.881-103.034 91.647 -49.678 130.325 -76.372 115.365-174.295 102.760 -82.313 92.674 70.245 122.510 65.724 91.695 24.221 128.860 -92.466 112.853 81.845 151.197 16.522 114.264 144.353 133.786 -58.007 100.964 -32.683 124.828-134.188 94.865-153.278 154.109-118.834 108.129 -81.898 169.612-147.460 106.182 -33.668 0.000 0.000 92.565 94.460 130.390-110.588 94.669 -95.311 135.500-147.094 141.782 -83.295 0.000 0.000 129.303-136.517 151.098-107.698 121.259 -57.534 159.480 38.729 129.121-101.221 150.707 -80.905 125.810-177.892 134.969 142.735 116.922 96.404 111.504 -84.088 95.348 -95.134 145.607 -20.534 133.135 171.312 148.337 -81.149 95.126 -47.395 83.643 -83.944 92.156 -14.467 117.141 112.363 120.776 -14.227 160.769 -70.209 124.496-111.192 156.536 -17.227 129.030 -66.993 174.181 -65.446 126.739-128.233 166.073 -82.699 127.273-125.707 137.453-133.695 117.433 0.000 159.889-168.728 # 40 total E -4.10563E+02 rmsd from N 0.000 %NC 0.00 125.910-138.406 142.385 -92.520 127.265 -95.375 128.861 -72.969 115.800 -75.426 133.905-141.555 91.658 82.586 154.502 -87.216 122.240 -99.572 130.828 -83.381 127.964-166.399 129.000 -73.776 124.554 168.058 144.103 -94.208 119.292 152.954 129.914-130.134 109.323 -51.192 98.466 -77.653 91.928 -7.348 140.811 -85.018 119.696-112.905 165.828 28.634 137.195 -71.394 156.406-126.774 130.470 104.424 121.048 -92.260 132.482 167.949 0.000 0.000 122.646 179.927 155.496 72.169 122.365 164.486 140.967-107.591 92.492 80.235 129.015 149.136 109.314 -87.125 116.122-113.183 112.602-177.117 0.000 0.000 133.905 -70.436 161.027 -19.989 94.807 124.243 107.287-119.050 94.377 136.663 140.073 -72.162 129.080 -91.492 111.881-105.981 93.784 112.511 137.702 -86.700 91.800 7.619 131.192 -77.763 105.319 -71.478 165.657-150.692 94.284 -12.860 147.469 -26.397 92.452 109.203 129.323 -76.390 130.435-118.936 159.972 -28.597 116.078 -50.752 118.178-146.771 92.111 -33.170 129.564 -76.419 93.930 89.327 139.731 -70.560 136.551-136.350 147.931 48.723 124.331-109.408 137.358 -76.855 93.815 43.539 102.065 -67.059 92.295 53.226 112.987 -74.507 91.567 64.607 140.347-124.505 93.661 59.235 150.001-135.574 116.020 -68.031 142.723 -82.349 94.718-177.600 126.805-148.948 124.720 178.971 142.558 -53.775 110.951 -39.128 118.901 -95.709 95.160 170.367 0.000 0.000 125.793-174.489 145.763 -78.555 116.559-123.814 144.316 -17.551 132.444-176.429 0.000 0.000 94.728 94.545 117.590 -74.134 151.335-117.324 96.829 -96.091 126.338-153.946 168.540-113.681 120.497 -72.945 161.040 3.964 93.445 -10.740 147.216 -36.827 94.662 84.483 145.563 -18.854 134.904-142.704 148.264 -81.818 124.361-145.150 176.449 -69.523 92.927 89.289 146.696 81.720 97.318 -51.925 111.793 -86.941 94.284 95.104 110.147 -90.741 93.887 47.200 128.685-132.448 112.446 -98.235 171.901-101.239 95.512 47.520 140.001 -74.159 117.248 0.000 135.265 149.217 # 41 total E -4.09157E+02 rmsd from N 0.000 %NC 0.00 112.236 -22.889 158.873 62.863 121.811 -91.269 132.325 -91.692 120.788-139.964 104.441 -99.213 125.272-147.900 148.617 -94.637 125.788 -87.915 174.773 -66.656 131.130-152.338 118.934-110.618 123.284-167.132 131.336 -76.301 134.204-171.328 94.621-109.304 127.698 -87.442 137.436 -52.198 92.414 77.285 149.447 -40.723 93.105 82.733 120.831 -85.994 117.991 -86.238 158.264-142.168 112.635-163.038 126.318 -89.442 136.105-158.945 0.000 0.000 126.861-161.614 165.620 -37.382 121.473-168.483 135.177 -84.342 117.787 -77.074 150.101 149.803 91.819 28.232 105.084-118.507 119.740 -0.400 0.000 0.000 132.805 -96.214 140.709 -18.364 127.381-153.595 169.729 -81.929 130.714-160.689 142.042-121.361 116.805 168.542 145.034 -98.225 93.254 81.457 168.372-166.493 91.721 60.291 131.184 -77.559 113.805 172.001 135.114-140.142 120.806-177.209 157.002 -2.472 130.602-145.814 144.307 -63.001 119.439-105.968 130.478 -38.352 126.010-160.911 140.553-137.811 128.672-169.859 174.032 -80.615 103.242 -28.671 156.548 141.948 92.944 -83.571 137.874 -40.544 90.920 63.266 129.749 -76.500 94.564 62.718 104.945 -81.699 94.409 177.250 138.193-131.509 120.176-160.056 150.812 153.671 130.774 171.341 153.402-171.696 90.531 -44.127 128.052 -76.259 92.196 -49.136 121.981 150.826 93.875 -42.135 145.069-109.516 93.002 -40.617 161.629 -30.365 93.914 93.605 0.000 0.000 125.985-118.265 129.348 -88.128 118.151-166.136 150.159-142.827 134.177 -86.890 0.000 0.000 120.688 172.605 165.441-117.188 93.129 96.853 148.185-115.935 94.079 98.398 142.288 -74.664 99.050 -7.737 117.962-130.844 93.725 -82.475 115.356 -88.078 117.204-175.702 147.694 -19.711 129.545-178.552 162.542 -95.158 123.866-179.837 129.665 -48.251 111.766 161.825 154.115 124.818 94.345 69.963 124.510-105.650 93.377 90.955 167.407 142.352 93.891 10.466 147.345 -74.649 100.393 -93.876 170.623 -57.592 125.280-109.161 159.484 77.397 118.100 0.000 143.475-140.269 # 42 total E -4.08382E+02 rmsd from N 0.000 %NC 0.00 91.575 60.995 133.716 -70.600 122.583 -98.354 150.302 -89.325 116.374 -81.581 114.972-115.226 91.507 61.214 151.822 -87.914 124.209-150.291 168.432 -81.776 125.546-137.525 174.297-103.984 126.371 16.065 162.278 32.133 125.007 -68.627 152.968 -20.190 92.132 90.975 133.980 -91.758 92.608 122.486 153.996 -24.346 115.839 134.734 123.757 -90.325 119.517-105.637 139.067 106.149 94.460 70.524 110.651-127.150 137.091 2.477 0.000 0.000 129.549-105.207 135.895 -97.132 132.346-108.591 106.100-132.777 129.464 112.679 134.310 -72.068 90.830 -68.419 118.397 106.112 93.423 2.329 0.000 0.000 118.895 164.125 133.897 22.614 127.088 165.695 146.863-112.950 94.101 80.002 145.334 -71.553 95.555 50.815 143.692 -75.629 110.949-169.393 90.994 39.533 121.181-167.936 144.133 -91.359 94.137 64.399 111.763 -73.618 148.849-176.371 106.812 -83.375 91.728 -44.243 129.659 -76.189 122.098 176.224 145.328 -25.300 130.229 165.524 176.451 -60.130 92.050 87.974 129.572 -76.552 94.541 7.797 113.896 -79.869 100.230 -75.136 133.460 -86.552 118.678-150.123 176.455 -91.623 96.334 73.040 106.537 -88.985 93.681 86.086 157.468-115.485 143.931 -93.197 131.511-163.597 131.578-138.991 151.625 42.639 130.206-174.116 126.491 -76.967 130.449 164.731 99.186 -96.809 93.883 96.879 152.629 1.661 116.894 -87.839 152.525-134.410 131.837 -80.117 0.000 0.000 94.065 53.378 133.857-110.221 93.997 38.399 134.119-126.616 95.742 68.948 0.000 0.000 121.362 -96.518 150.378-118.159 125.813-176.003 142.924 64.985 95.237 101.278 115.608 -52.779 134.303-103.264 66.509 -93.951 119.311 157.359 117.995 -88.623 94.019 -27.684 151.588 -5.882 92.915 -49.070 132.521 -78.187 97.262 3.272 140.518 -74.282 117.200 -62.082 117.142 -93.643 92.359 114.704 136.879 -64.933 124.186 174.534 110.656 -86.895 94.767 75.800 123.631-101.349 109.795 146.964 158.282 -52.960 125.368-115.075 126.879-129.918 117.820 0.000 150.502-134.674 # 43 total E -4.08186E+02 rmsd from N 0.000 %NC 0.00 91.569 62.717 140.168 -80.920 124.056 -84.576 137.769 -97.477 132.842 47.665 103.260 -90.809 92.099 -55.657 132.919 -77.354 111.199 -67.547 127.210 -88.131 94.779 55.068 171.066 -80.775 111.796 175.460 116.915 -69.367 136.291-176.342 133.821-163.588 125.585-148.910 129.564 -49.124 117.633 -63.607 176.489 148.326 94.484 23.003 143.637 -73.249 126.722-130.601 139.021-106.330 122.568-163.755 173.313 -16.633 131.037 -87.679 0.000 0.000 119.689 64.568 165.707 -89.356 119.354 163.015 161.835 -75.742 118.803-170.729 121.460 108.430 130.541 -80.487 120.497 122.040 123.006 1.245 0.000 0.000 118.286 11.263 130.546 26.859 95.523 70.665 141.306 -74.905 94.118 106.883 146.242 -71.572 93.312 105.043 106.939-103.172 112.033-161.863 108.815 -69.015 124.303 168.793 137.180 -89.470 141.943 144.368 135.087-109.326 93.858 34.935 139.065 168.899 92.267 170.491 176.459 -88.787 92.153 74.884 125.380 -94.802 92.852 88.985 143.101 -74.033 91.243 8.997 126.566 -75.392 103.547 -94.303 130.964 -91.526 112.812 137.413 153.420 153.100 91.705 92.983 129.451 -76.290 94.113 6.903 158.525-129.160 107.443 -91.425 113.261-108.432 117.096-177.406 125.220 -15.134 116.403 156.361 110.768-151.133 92.166 20.438 130.579 -77.284 122.324 75.735 170.777 -19.609 92.713 -64.272 143.661-109.657 93.233 116.923 144.050-103.951 115.638 19.572 0.000 0.000 124.121-100.856 145.125-101.896 124.922 -72.296 104.332 -85.009 95.213 165.845 0.000 0.000 126.386 -94.217 176.399 -85.539 93.467 41.548 93.295 -56.342 93.559 50.896 142.250 -74.727 92.833 50.113 109.821-141.599 92.845 65.091 145.500-151.621 93.053 -60.308 117.294 -74.909 118.263 179.864 156.038 -81.179 94.305 86.405 128.304 -95.984 96.183 -41.205 127.008 -87.204 96.383 83.961 160.980 -70.158 93.464 31.236 173.124 5.540 94.644 62.454 140.082 -78.550 92.616 68.181 132.118 -99.671 94.712 83.411 118.291-123.128 118.045 0.000 131.083-153.471 # 44 total E -4.07514E+02 rmsd from N 0.000 %NC 0.00 91.616 112.038 137.342 -75.882 122.459 -75.611 147.922-101.592 116.339-144.952 96.476 -81.976 130.271-177.149 145.313 -87.909 92.441 72.726 139.294-110.747 92.591 57.500 140.771 -73.605 91.941 48.379 141.243 -75.458 92.262 47.700 97.741 -61.451 91.516 59.600 125.475 -55.710 91.926 36.361 140.182-134.217 101.918 -80.665 122.589 -91.896 118.849-174.383 164.529-137.669 134.213 174.638 94.805-102.640 94.169 70.109 0.000 0.000 122.507-119.414 116.642 -81.202 120.004-158.008 159.193 -89.799 128.226 -84.977 170.251 161.117 124.518-152.265 110.714-114.153 115.682 166.619 0.000 0.000 125.649-172.024 152.541 -62.636 122.891-174.631 153.458 0.539 93.399 79.425 140.355 -80.212 93.556 86.254 145.904 -77.770 93.121 22.767 130.837 -68.765 92.692-103.601 128.492 -76.347 121.795-144.754 165.578-164.740 116.967-128.199 137.249 -34.385 90.570 46.087 128.656 -76.106 89.942 58.365 120.707 -27.648 92.217 48.555 78.240 -64.577 92.217 37.744 129.871 -76.146 94.168 27.523 139.367 -83.128 111.076 24.644 155.660 2.480 92.783 42.603 129.255 -77.007 94.372 37.282 130.143-149.720 92.636 49.130 97.175 38.174 91.450 68.363 114.258 -59.186 92.985 64.694 137.691-126.876 111.025-162.339 123.274 -44.301 94.268 100.551 113.184 -89.683 119.327 -82.255 110.182 -79.315 93.451 -23.600 144.763-106.378 123.704-152.833 0.000 0.000 124.521-169.560 104.701 -75.612 118.500-168.778 145.557 -19.708 130.935-154.038 0.000 0.000 122.957 -88.484 135.847 -97.498 122.893-153.578 141.297 113.626 124.067 -45.288 167.464 -42.098 110.533 82.682 128.369-138.974 118.467-101.004 160.274 -23.173 120.940 -83.785 170.487-156.649 127.680-153.521 148.288 -83.822 126.457 -79.801 163.677 -59.642 128.753-145.192 167.038-124.409 124.920-159.812 147.752 39.506 133.865-119.161 136.647 -94.317 112.830 -43.986 137.948 -88.937 116.056-173.320 142.330 -85.852 94.982 62.812 141.107 -77.507 117.506 0.000 139.074-171.342 # 45 total E -4.07172E+02 rmsd from N 0.000 %NC 0.00 91.578 61.139 134.212 -72.747 127.876-100.701 171.918 -68.326 110.572 178.401 145.756-164.176 126.473 43.777 151.399 -85.173 125.501-151.501 173.088 -74.500 132.581-132.276 125.451 -66.878 96.466 115.225 145.598-118.076 111.638 7.565 88.756 -52.950 117.512 -84.072 117.461 -51.973 116.061 -33.225 151.972 -95.222 127.539 176.559 169.819 -50.322 99.692 -37.462 141.958-117.277 92.706 -19.163 138.266-108.261 118.603 -14.512 0.000 0.000 123.467 -88.379 172.670-139.763 133.840 -22.195 128.409-136.262 127.938 -67.416 176.476 176.791 124.535-158.998 120.579 121.432 125.872 0.355 0.000 0.000 130.502-137.194 131.571 -34.194 115.322 -35.449 138.137 -94.373 119.572-118.472 122.230-113.849 124.242 119.874 141.544 -92.591 125.070-112.132 108.477 -89.536 113.192 151.794 153.787 -85.126 131.770 -64.441 155.006 -96.801 126.587-160.118 149.799 -23.815 123.709-167.178 158.468 -74.230 129.121-131.911 138.301 27.205 121.605 -87.993 125.412 -64.449 125.883-158.432 141.073 -97.191 126.531-126.910 149.804 -74.945 117.599 179.629 154.753 -47.620 117.295 97.355 146.620 -84.402 94.163 -9.015 172.642 179.548 95.039 -73.127 133.834-131.725 112.589-165.916 155.277 -81.681 134.484-101.043 54.591-117.003 122.916 -63.943 145.100 -73.283 120.692-145.176 113.783 -92.589 129.408-112.570 170.651-152.131 94.994 100.910 146.178-105.928 118.710-126.613 0.000 0.000 130.905-161.190 136.077 -64.957 109.032-170.616 143.469 -16.446 141.816-171.912 0.000 0.000 92.765 70.408 124.806 -95.470 125.047 -74.604 82.796 -90.784 122.658-149.603 119.727 -84.024 136.531 -79.608 164.460 7.568 125.180-148.436 171.786-167.544 91.888 62.738 149.372 -33.453 91.105 69.831 131.580 -79.060 93.327 59.167 137.890 -74.002 92.752 -26.203 131.179 -78.028 126.035-169.805 148.916 -76.313 94.077 92.444 151.853-109.147 121.984 -85.992 96.224 -61.949 118.740-170.991 128.938 -71.721 127.011-114.759 126.502-142.916 117.417 0.000 152.319-123.646 # 46 total E -4.06889E+02 rmsd from N 0.000 %NC 0.00 124.477-140.215 170.166 -12.565 128.509 -89.462 128.444 -80.376 116.279 -70.195 135.348-143.270 91.869 86.448 132.600 -78.120 123.094-106.099 113.749 -61.657 118.218 158.738 134.569 -89.165 94.859 109.487 120.472 -67.099 93.466 99.810 110.462-141.361 108.478 -80.982 102.915 -60.328 126.504-168.993 153.814-104.897 91.755 85.282 138.371 -70.829 93.035 63.935 124.315-103.209 93.397 35.619 133.794-127.159 95.453 70.458 0.000 0.000 114.379 -54.016 163.032 -98.716 98.287 151.870 165.382-128.372 114.790-157.296 164.157 -11.698 119.569 -43.550 107.670 119.523 112.689 -6.754 0.000 0.000 103.870 -72.070 113.426 -54.603 93.356 103.849 123.694-118.126 95.541 42.521 120.568 -91.766 95.688 157.347 149.412 -78.101 124.483 177.200 152.227 -53.978 91.441 69.907 150.734 -87.962 134.282-170.771 122.186-129.961 94.134 134.735 145.665 -32.506 121.690 160.501 137.836-111.135 92.600 54.351 124.463 19.942 124.364-106.114 131.797 -61.612 117.404-165.121 148.870 -71.228 92.158 57.646 129.382 137.941 91.723 51.526 111.601 4.902 91.342 52.540 130.167 -77.358 93.625 63.276 159.963-124.103 94.758 -55.016 143.142-149.096 123.368-158.669 126.428 -6.984 129.409 -91.262 123.346-137.511 127.046-167.143 142.726 -81.693 116.684 159.130 107.361-104.160 93.625 76.996 148.672-116.835 94.354 92.704 140.883-102.894 123.978 -7.517 0.000 0.000 126.254-105.266 168.706 -55.130 114.299 -65.389 99.460 -77.119 124.789 -10.644 0.000 0.000 125.655-104.297 128.576 -80.986 116.055 160.771 159.488 106.932 95.309 121.049 123.024-104.429 118.072 35.883 142.309-103.812 93.185 -60.239 161.528 -13.262 94.589 -20.960 112.163 -69.870 92.837 101.030 129.519 -76.334 127.171-106.423 169.242 -27.999 129.450-177.162 160.118-110.212 121.155 -63.965 170.092 -77.261 120.800 -30.921 176.437 161.712 124.292-160.329 130.219 -64.973 119.656-176.344 134.974-107.739 127.910-104.863 140.132-135.812 117.988 0.000 142.080-129.129 # 47 total E -4.06571E+02 rmsd from N 0.000 %NC 0.00 126.207-135.663 142.767 -86.542 126.330 -88.105 126.374 -84.829 113.955 -61.462 138.659-150.651 91.577 88.510 154.751 -82.448 124.744-122.251 140.362-104.392 125.776 152.901 158.901 -25.497 95.380 82.359 116.206-112.860 129.175 -96.513 137.382-150.293 126.249-152.488 175.820-109.525 121.860 169.013 138.147-106.892 93.152 47.072 135.611 -72.129 95.465 115.013 156.838 153.312 92.295 -32.182 144.388 58.791 95.209 -63.366 0.000 0.000 93.812 47.053 144.591 -94.521 141.791-137.240 126.760-127.728 122.806-172.925 135.209 -92.119 132.192 -71.473 128.667 122.149 128.167 -23.082 0.000 0.000 133.087-157.807 156.153 -28.714 92.980 70.801 80.531 -83.978 92.968 65.532 142.199 -75.111 93.465 63.421 124.149-108.285 94.026 -57.355 95.810 -34.983 121.181 119.628 155.989 -94.980 121.535-109.338 133.013 -68.153 126.279-177.475 106.641 -84.524 120.003-175.029 167.208 -81.389 135.217 166.780 138.478 43.254 136.385 178.442 143.322 -75.907 91.844 160.572 134.822-110.270 92.745 79.708 136.875 -92.733 118.852 -75.746 142.152 -73.502 136.761-164.589 144.737-109.577 111.034 -31.356 148.733 17.318 93.328 -83.085 143.641-141.622 90.980 69.060 106.397 25.771 94.634 55.959 67.807 -70.690 92.001 150.374 132.239 -73.055 93.470 40.647 153.731 21.680 94.378-161.667 144.454 -98.256 121.930 -24.846 154.955-131.643 96.043-178.708 0.000 0.000 117.374 178.271 169.500-117.609 108.439 -69.681 155.311-148.997 122.826-170.060 0.000 0.000 93.586 18.946 122.646-113.939 114.148 77.661 160.455 83.656 93.826 132.266 142.987 -75.700 137.089 -69.410 106.173 -99.180 93.350 -17.432 142.129-154.697 126.184-171.204 161.109-178.000 90.846 36.333 134.187 -78.681 112.760-154.966 96.755-125.021 127.830-105.726 142.109 -46.842 131.982-153.743 130.304-110.889 131.951 171.778 159.627 16.702 94.473 62.667 127.900 -90.734 117.788 136.283 168.767 -69.136 95.080 65.106 159.863-117.241 117.339 0.000 137.496-167.350 # 48 total E -4.06347E+02 rmsd from N 0.000 %NC 0.00 91.571 59.443 163.572 2.809 134.956 -56.362 147.815 -92.476 116.339-143.933 137.978-147.484 123.082-169.897 151.617 -99.109 128.216-160.082 171.655 -73.046 121.711-157.746 145.627-113.599 95.930 75.736 108.165 -94.111 131.848 -41.427 148.054 37.507 93.941 174.569 109.479 59.215 122.619-165.034 134.026-112.544 93.363 57.772 136.867 -64.037 122.990-130.243 147.516 96.757 94.717 -19.644 115.779 -93.712 132.870-120.151 0.000 0.000 123.148-134.241 162.650 92.987 144.974 161.098 89.633-109.588 90.945 -19.151 130.034-135.813 118.462 147.043 104.508 -95.939 106.854 -18.878 0.000 0.000 95.862 -68.572 116.099 39.937 94.919 -23.900 142.229 -75.719 94.012 109.488 107.983-110.694 95.452 103.328 111.585-134.780 104.779 -90.220 90.209 -14.912 91.623 7.499 136.750 -78.114 117.937-155.388 168.856 -98.919 134.036-160.463 114.094 -85.579 91.966 64.698 130.553 -75.456 129.807 130.864 117.266 -73.624 94.292 106.069 145.734 -73.473 127.466 -72.135 134.924-102.736 109.010 -15.116 151.739 -85.738 92.435 147.826 147.993-125.221 91.222 59.131 131.713 -78.663 94.519 73.614 135.636 -95.586 91.249 -72.195 107.068 117.276 90.986 -46.425 147.704-125.569 110.521 175.232 112.541 137.036 91.724 71.978 130.464 -76.748 119.564 158.906 104.236 -94.563 93.049 85.939 147.705-113.181 109.432 -25.052 163.880 -37.286 119.386-162.483 0.000 0.000 123.961-168.986 169.891-116.833 119.641-160.566 112.173 -91.541 134.995 -99.890 0.000 0.000 125.868 -91.570 90.610 -81.271 122.927-102.203 142.840 117.614 126.940-153.386 121.997 -72.263 127.092 -87.271 93.189 -52.774 123.226-174.281 158.257 12.622 116.942-155.116 112.978 -72.968 121.979 -56.064 131.248-112.118 123.445-142.663 127.647 -69.123 126.051 156.035 172.868-125.360 94.209 74.785 126.331-112.936 112.542 165.708 129.100-122.266 94.182 107.372 121.266 -80.947 93.198 77.884 108.288-110.432 94.615 87.907 137.785 -70.633 118.151 0.000 129.403-148.660 # 49 total E -4.05475E+02 rmsd from N 0.000 %NC 0.00 125.836-128.585 158.269-119.128 127.672 -89.885 129.920 -82.840 110.311 107.880 138.335-152.840 91.677 -58.301 126.573 -76.830 121.943-156.340 126.259 -59.176 93.457 67.765 141.562 -73.418 94.958 -23.327 167.306-105.425 113.647 69.467 156.238 -98.896 92.990 45.760 146.872 -57.188 92.882 -2.668 139.625-147.253 148.522 -70.277 176.461 -91.094 134.277 -28.394 147.222 -83.959 94.150 -45.230 116.072-111.767 95.056 113.246 0.000 0.000 92.375 104.238 144.502 -92.622 95.720 -4.599 143.100 -81.030 94.060 -90.719 141.964-128.675 92.970 146.056 104.864-122.964 136.847 167.799 0.000 0.000 92.574 63.057 115.781 -38.728 115.430 -55.861 167.755 -66.456 115.160-155.647 118.594-116.105 132.357 -60.850 134.563 -55.319 126.922 -24.231 160.724-174.015 140.436-157.301 142.240 -92.345 126.309 161.453 147.882 -92.389 92.730 14.456 141.851-163.618 123.604-136.741 132.693 -92.125 127.488-129.998 135.268 34.147 128.516-175.004 135.062 -63.429 91.679 55.947 130.054 -76.622 126.778-133.121 132.959-101.905 129.863-119.111 140.669 -48.638 91.539 113.156 135.170 -58.939 93.516 99.541 166.234 19.990 92.299 90.789 96.039 121.506 91.376 113.741 107.766-122.238 128.795 -92.287 176.468 17.430 131.400-152.112 144.213 -70.208 93.177 65.951 136.898-123.022 92.233 64.386 149.603-115.991 105.181 -88.559 137.368-105.930 95.031 162.963 0.000 0.000 119.278-173.774 161.368-158.554 128.470 12.865 107.267 -79.914 124.843-155.870 0.000 0.000 128.370-176.905 148.481 -62.594 126.578-161.512 86.687-101.987 133.852-171.886 90.391 -77.123 115.291 47.931 100.723 -89.448 93.211 -43.253 158.075 -20.305 118.438 114.950 111.567 -67.078 122.604-125.943 158.605 -83.539 124.312 -75.912 168.272 -63.219 113.846-159.916 176.438 -87.324 131.048-156.475 176.441 -31.570 93.948 28.555 172.384 5.132 121.468-110.161 164.258 -14.594 123.011-174.848 168.304 -80.411 128.564-125.490 144.607-111.814 117.727 0.000 155.022 175.590 # 50 total E -4.05203E+02 rmsd from N 0.000 %NC 0.00 124.283 -96.096 176.492-130.931 131.900 160.318 136.604 -86.248 94.444 18.930 141.835-168.220 94.126-105.325 130.245 -76.813 132.930 175.324 99.408 -72.984 123.041 -84.518 100.530-116.474 127.457-136.965 147.506 -20.435 126.635 -34.087 125.943 140.361 92.361 89.176 120.194 -41.683 92.060 104.812 162.146 5.374 91.542 94.514 148.091 54.285 92.771 48.587 123.559-107.538 102.589-176.138 121.592-113.490 95.461 62.277 0.000 0.000 93.766 106.556 147.896-101.618 96.016 -10.921 150.141 -79.946 93.341 -76.497 124.243-102.452 91.601 12.153 102.573-126.235 120.849 -15.070 0.000 0.000 138.755-165.911 96.555 68.120 118.692 56.924 124.366 -51.740 144.365-162.821 154.358 -51.473 95.193 40.594 163.672-158.609 124.088 -75.901 149.630 -88.777 127.145 179.924 156.916-101.369 124.106 126.327 170.850 -38.435 92.647 -51.465 139.395 -15.575 91.505 -19.609 129.293 -76.189 125.919-106.583 146.487 -19.722 124.926 174.637 123.765-113.765 91.932 92.675 129.555 -76.309 124.203 -96.435 154.815 -84.338 130.205-156.393 143.840 -81.171 124.737-153.847 149.311 -80.496 132.621-126.691 156.264 163.896 131.585-133.392 153.912 154.856 118.382 48.884 137.301 8.184 94.340 108.392 149.100 13.569 117.362 -67.626 124.583-127.784 92.973 3.068 128.498-157.791 120.756 -95.307 108.908 -81.375 94.628 65.541 139.655 -88.707 96.268 105.744 0.000 0.000 130.213-108.537 167.205-111.752 93.829 99.770 95.564 -81.106 128.977 -8.049 0.000 0.000 128.915 -97.101 149.544-114.707 128.375 -41.984 141.424 51.678 123.063 -77.788 158.294-139.349 123.133 -28.094 74.925 -84.062 117.664-139.856 123.968 -86.915 92.963 89.525 145.854 -27.411 91.677 51.461 129.050 -76.031 118.305 -86.894 117.919 -91.461 123.249-170.174 130.755 -73.371 126.943-108.251 176.303 -83.820 125.701 -82.399 176.459 162.004 134.054-132.437 111.153 -65.637 117.202-177.890 165.831-171.021 95.142 61.078 130.933-125.531 117.646 0.000 134.523-178.288 # 51 total E -4.05175E+02 rmsd from N 0.000 %NC 0.00 126.200-124.113 142.717 -51.692 121.305-176.104 135.081 -86.443 93.761 53.838 143.594-173.192 91.858-116.693 130.730 -78.454 115.317 -69.244 165.056 76.084 94.456 -24.914 116.199 -68.276 94.653 97.042 143.753 -78.215 132.607 -96.102 109.912 -41.273 119.015 -12.979 110.676 -60.044 129.751 -81.985 167.326 1.429 128.908-159.973 141.593 -67.529 92.804 66.267 129.341-121.256 102.769 -88.144 116.354 -92.738 124.195-173.763 0.000 0.000 124.743 -83.679 128.788 -65.658 112.925 176.069 134.085 -91.600 109.012 99.366 147.678 164.406 93.302 49.857 111.098-114.542 129.831 -53.359 0.000 0.000 127.602-177.624 144.296 -26.109 123.537-167.903 145.162 -83.964 126.527-163.544 166.617 -56.672 94.516 27.274 122.415 -74.413 108.098-166.144 157.377 179.666 91.055 74.012 131.996 -79.052 93.516 77.988 141.312 -74.238 92.826 -50.290 101.590 -83.496 117.946-169.913 149.684 -77.659 125.701 -85.110 157.845 38.321 123.537-116.098 157.414 -46.662 91.770 91.368 129.001 -75.836 92.841 26.187 114.576 -85.091 111.239 -88.137 147.346 -26.460 91.899 145.303 128.712 -74.675 92.925 97.333 117.970-126.220 91.876 76.500 136.044-145.707 91.203 95.142 118.117-127.690 129.689 -64.661 110.392-102.551 91.577 66.098 128.627 -76.565 93.836 86.223 153.220 -44.475 93.884 -67.087 105.563 -84.926 93.563 -49.608 145.541-105.721 115.872-168.371 0.000 0.000 124.520 -96.989 80.823 -68.985 111.359 177.706 106.466 -76.137 134.199 175.091 0.000 0.000 116.051 174.865 168.381-105.892 93.708 75.374 155.022-150.280 95.323 -29.419 130.866-105.944 112.356 78.195 163.377 18.374 117.021 -96.573 152.760 -39.623 118.143 177.094 148.432 -16.961 126.163 -82.502 152.759-110.116 97.258 -27.535 127.586 -50.336 134.941-161.224 117.924 85.012 93.848 31.213 142.314 -76.446 115.668-169.029 173.290 12.288 132.098-178.000 38.760 -74.981 120.170-165.849 171.262 -72.319 95.840 43.766 150.586 157.405 116.703 0.000 131.572 122.246 # 52 total E -4.03434E+02 rmsd from N 0.000 %NC 0.00 125.328-133.089 158.731 7.712 123.741 -68.565 134.638 -92.349 117.061-134.357 122.077-122.033 133.308-147.208 137.649-109.176 126.313-141.978 123.822 -71.711 94.513 61.869 90.075 -90.435 94.143 83.111 141.272-109.924 109.552 -78.225 109.474 -42.051 93.965 -42.864 103.791 -81.523 117.522-153.025 154.756 -33.002 119.973 108.959 99.827 -96.610 132.099 -1.649 164.238 97.901 121.737 -99.080 153.474 -70.813 116.945 6.053 0.000 0.000 92.392 80.211 140.318 -89.900 92.539 57.390 140.657 -73.592 91.953 72.032 144.954 -42.532 93.139 37.682 104.280 96.290 118.629 -13.801 0.000 0.000 116.768 -86.804 137.538 -7.355 121.191-153.784 126.662 -82.317 127.555 -77.915 141.405 -75.680 125.865-148.148 123.508 -89.098 123.444-154.918 146.779 -93.012 143.454-103.106 102.071 -87.855 93.328 49.245 105.118 -74.442 93.186 91.319 142.888 -17.924 90.998 -68.517 131.240 -76.562 97.281 -35.981 108.943 -46.142 99.723 165.423 163.806 -90.824 132.583 -71.982 151.383 -67.594 115.254 11.375 156.893 -60.180 139.237 -84.067 114.659 -36.647 109.982 92.682 144.006 -83.687 128.203 -88.641 96.153 -64.034 120.499 -64.884 128.086 150.052 92.490 -13.203 148.711-134.483 110.101 89.837 176.215 17.756 114.495 143.420 149.783 -83.672 113.557 25.302 95.515-103.056 94.847-153.988 173.984 -8.458 125.531 -67.743 120.310 -88.497 130.830 -31.054 0.000 0.000 128.727 -85.635 168.630 -97.428 92.934 78.438 95.507 -80.976 94.385 107.620 0.000 0.000 113.529 -98.844 133.263-114.115 93.893 66.383 162.749 96.907 121.353 157.212 122.816 -86.780 115.700 117.748 107.100 -86.962 93.173 102.680 138.330-115.840 117.247-103.991 158.374 -18.708 122.811 -71.180 147.442 -84.420 94.772 115.556 141.786 -74.059 125.898 -65.285 146.500 -87.719 121.046 5.264 145.855 -95.195 135.343 -99.755 161.432 165.756 133.447-102.737 158.893 18.201 124.190 -90.473 116.836-122.109 127.190-119.343 170.336-115.162 118.586 0.000 140.490-173.195 # 53 total E -4.02605E+02 rmsd from N 0.000 %NC 0.00 91.595 110.519 133.639 -74.137 127.458 -76.593 163.436 -84.109 117.288-146.080 139.401-149.843 133.510-125.285 171.115 -89.208 111.909 28.746 169.039-100.481 125.459-157.527 128.381 -45.449 132.849 126.705 146.686-110.002 118.364 30.380 106.905 -95.098 94.189-174.934 114.258 -46.177 117.802-175.701 146.110-131.746 124.757-100.290 131.749 -89.742 93.727 83.156 130.578-102.225 109.696 -4.793 136.273-112.107 117.270-129.197 0.000 0.000 129.610-141.496 126.436 90.718 130.103-148.216 163.999 33.651 120.164 27.671 134.255-104.073 133.883 -82.144 136.178 124.261 127.091 -33.865 0.000 0.000 119.687 115.958 138.357 0.231 118.773 176.570 143.477 -97.797 94.814 149.666 163.035 -83.392 95.223 25.253 122.625-110.037 98.299-138.584 128.925 83.560 91.376 58.416 130.283 -76.012 92.858 57.789 164.882 178.533 92.101 73.138 147.245 -33.737 129.688-117.873 106.715-113.452 92.141 36.058 99.122 -51.679 127.470-125.479 116.574 -50.900 124.986 177.557 149.960-107.265 112.211 12.539 153.146-151.014 91.679 102.502 107.105 17.969 91.466 1.979 128.425 -79.465 111.232 -72.747 126.962-145.272 94.129 141.764 174.338 -11.834 124.436 161.977 103.396 -99.701 114.191 46.288 94.151 -85.423 91.858 -54.750 129.329 -76.148 116.587-145.747 155.233 -55.173 128.876-107.115 103.936 -74.822 94.641 106.771 139.858-108.719 120.196 178.781 0.000 0.000 124.208 -99.770 174.447 -81.776 93.034 33.345 131.949-122.120 94.790 61.178 0.000 0.000 92.111 71.390 142.661-105.251 91.625 91.796 138.262-116.592 93.057 70.040 142.273 -73.605 93.922 29.215 109.515-118.423 94.601 -93.377 146.909-138.273 116.756 175.003 149.354 -19.554 111.534 113.305 141.450 -75.581 94.509 82.722 142.610 -74.158 113.890 -86.205 130.746 -87.337 123.097-147.267 163.244 -57.996 129.772-109.342 156.046 167.175 139.840 -49.890 173.707 -56.437 136.253-137.842 144.454 -77.745 127.205-101.846 109.443 -56.197 118.950 0.000 131.130-150.276 # 54 total E -4.01609E+02 rmsd from N 0.000 %NC 0.00 91.574 118.824 131.217 102.833 94.674 88.316 114.834-103.268 110.479 -31.876 98.210 -78.420 91.293 81.783 151.564 -85.628 92.459 24.198 171.804-110.962 95.849-114.470 131.404 -94.126 96.081 86.031 167.771-110.657 133.604-131.126 96.332 -69.618 123.724-151.518 117.710 51.594 109.803 96.690 176.463 174.209 108.819-108.879 133.746 -82.372 130.336-151.680 167.273-128.181 108.759 162.471 143.479-101.873 126.792 -51.027 0.000 0.000 92.570 65.363 148.522 -97.907 94.120 139.361 126.420-113.736 92.604 56.049 146.538 -38.681 93.572 110.201 110.399-122.023 123.930 25.576 0.000 0.000 126.518-100.363 143.553 6.209 132.689 99.544 143.342 -95.625 91.845 -28.894 138.693 -72.311 94.105 -49.614 142.692 -76.063 107.310-161.456 84.356 -76.055 136.124 -76.885 146.239-101.303 128.524-146.719 146.067-100.362 92.874 62.786 138.555 120.524 91.354 68.475 124.404 -73.860 92.546 22.926 120.101 -59.445 118.611 -90.275 131.291-111.164 122.810-149.785 147.605 -79.417 125.443-103.332 146.511 -42.545 92.509 49.590 135.175 -73.645 91.005 52.094 129.318 -75.843 92.637 47.170 132.590-117.055 92.264 69.855 111.063 124.451 91.718 79.857 134.463-103.084 122.292 -96.320 107.352 -89.807 121.438 -66.715 148.943 -86.803 94.317 174.228 125.522-151.141 118.982 178.633 159.452 -15.902 118.347 161.956 159.245-136.654 134.486 -75.077 0.000 0.000 120.727 -95.835 141.845 -96.042 121.974 177.278 103.171 -80.345 120.006 167.160 0.000 0.000 121.885 178.209 165.573-155.196 114.554 27.221 176.345 173.622 114.820-147.079 165.951-142.066 122.284 111.030 150.346 116.579 90.467 -16.936 146.470-125.293 91.549 -73.107 166.822 -17.720 120.964-152.165 125.360-137.534 130.529-148.281 159.504 -52.705 122.104 -86.259 176.601 -97.845 94.600 68.298 125.993-103.625 94.244 84.291 172.143-158.971 122.661 -59.165 176.492 -64.450 93.786 90.984 141.471 -73.044 95.214 77.888 94.773-112.412 117.770 0.000 136.372-151.092 # 55 total E -4.01532E+02 rmsd from N 0.000 %NC 0.00 91.585 61.231 136.184 -74.978 124.310 -80.553 132.494 -90.585 118.066-137.868 118.779-117.170 128.625-160.108 145.529 -91.493 124.906-155.781 148.214 -94.219 126.637 -80.521 168.254 -45.017 124.569-177.760 126.747-104.316 114.932 108.441 128.707 -52.275 124.843 -96.736 136.792 -60.387 109.624 91.730 156.278 -24.057 120.264 -99.830 120.948 -96.412 122.255-152.818 160.795-119.409 94.088 8.885 159.031 -48.361 122.082-163.534 0.000 0.000 127.413-166.426 153.860 -64.507 120.585-160.226 137.368 -84.934 125.223 -96.856 158.975 169.599 122.390 -62.774 118.235-117.984 120.132 -15.546 0.000 0.000 104.183 135.991 127.617 22.014 94.621 82.147 108.100 -81.228 94.935 137.500 143.226 -76.313 124.737 -66.749 140.648-101.575 132.958-168.694 153.724-108.165 91.628 93.978 149.761 -85.043 94.245 5.647 114.743 -73.165 94.164 -86.696 107.627 -83.777 121.777 175.591 142.418 -76.989 92.607 69.294 89.971 -70.513 131.116-167.716 170.763-100.623 129.382-171.127 140.433 -85.265 93.036 70.274 136.102 -80.319 120.905 -68.805 141.676 -57.661 91.743 85.643 130.444 -77.269 119.038 -35.069 138.270-144.102 138.497-168.877 144.556 -97.233 91.006 4.188 131.136 166.026 122.333-165.316 131.277 118.670 91.959 87.693 128.643 -75.430 117.059 -51.764 81.770 -83.724 125.449-165.903 164.119-142.681 111.869 -53.750 164.519 16.765 94.751 49.938 0.000 0.000 118.444-123.107 168.806-112.616 93.721 51.372 93.729 -82.378 96.373 88.214 0.000 0.000 124.198-162.092 128.109 -80.399 122.251 -99.530 103.923 -58.672 117.252 178.291 142.705-125.584 129.294-102.620 156.533 17.816 93.995 19.072 148.151-117.567 93.063 63.153 143.745-103.275 90.796 58.942 128.266 -76.696 92.653 42.718 161.440-101.285 91.660 42.023 139.066 -75.543 93.824 44.120 114.220 -97.805 93.436 38.182 129.656 -94.443 94.974 53.539 128.008-136.275 93.322 67.436 133.420-102.899 121.394-116.762 134.256-127.000 117.763 0.000 151.801-145.067 # 56 total E -3.99581E+02 rmsd from N 0.000 %NC 0.00 126.125-125.572 148.374 -73.776 125.399 -89.409 124.470 -90.556 125.561-172.707 110.957-103.300 128.603 176.643 157.280 -83.713 126.198-175.472 169.413-126.852 122.405-166.735 161.899 -70.842 109.605 -40.174 171.588 -68.346 98.840 -79.612 82.356 -94.914 91.986 66.839 109.061 -61.370 92.990 59.717 165.427-147.400 121.116-174.911 172.104 -33.984 123.303-165.555 164.805-121.473 105.024 -27.568 120.315-160.157 120.028 -50.099 0.000 0.000 133.624 171.871 125.722 66.532 114.310 174.739 136.762 -91.754 94.466 -49.068 145.184-153.646 92.538 -7.780 107.509-116.184 116.599 -12.362 0.000 0.000 129.121-102.630 140.458 -79.777 94.242 73.477 143.156 -73.212 94.363 85.068 119.019-119.771 120.002 -90.535 100.840 -97.512 119.625-177.118 176.470-116.485 91.615 78.807 162.167 -90.808 109.152 133.079 112.501 -74.724 92.667 116.619 86.586 -86.613 91.651 42.446 129.096 -76.651 120.759-148.908 162.309 61.452 125.443-170.645 141.500-115.920 91.856 62.882 129.806 -76.313 123.452-166.316 152.629 -72.151 127.103-147.729 126.012 -62.538 132.713-131.630 154.312 -89.723 123.736 -60.702 154.454 142.883 129.774-154.819 171.105 150.746 121.273-178.231 132.402 21.840 108.494 111.581 122.440 146.741 91.366 -26.736 125.855 -75.058 93.578 -57.469 98.159 -96.757 113.554-162.873 157.170 -42.445 122.892 -40.938 150.233 170.956 95.927 160.882 0.000 0.000 113.414 133.734 114.734 -72.824 91.808 -67.126 96.045 -78.083 92.874 8.036 0.000 0.000 122.360-106.095 114.779 -74.551 92.994 139.136 148.516-147.581 93.723 77.225 112.913 -37.999 92.763 103.983 141.886 116.363 93.849 13.229 151.181-129.408 96.443 -87.621 145.218-142.317 115.654 -1.044 138.865 -90.015 127.992-106.849 130.817 -56.314 123.122 -84.683 138.540 -64.765 123.732-150.970 132.486 -77.612 129.034 -94.576 143.066-134.318 127.394-157.531 123.681 -62.700 120.140-176.319 138.435 -91.852 127.063-115.872 140.219-127.532 117.986 0.000 148.982-148.029 # 57 total E -3.96247E+02 rmsd from N 0.000 %NC 0.00 126.285-122.143 145.282 -54.941 124.949 -95.809 118.767 -88.992 116.474 -34.172 123.677-124.104 91.289 106.090 131.256 -77.092 119.947 -97.928 131.747-124.486 117.258 98.892 167.164 -80.178 93.497 99.965 139.834 -72.810 93.310 74.840 112.975-143.753 91.051 125.304 99.361 -59.629 92.961 -63.820 122.703-117.897 93.963 76.770 141.944 -71.455 120.661-122.248 89.918 -67.825 112.745-172.723 150.720-122.709 136.902 -53.187 0.000 0.000 126.963 -82.405 100.736 -73.199 121.043-151.882 135.120 -91.639 128.375-159.003 161.761-156.213 122.909-149.555 109.459 114.635 127.974 177.973 0.000 0.000 123.355-169.528 121.846 -45.684 124.820-139.880 116.144 -88.077 126.473-149.492 120.981-121.178 129.442 -59.917 145.209 -83.130 114.371-153.711 168.468-108.326 91.777 88.799 176.418 -98.455 92.803 99.252 117.801 -86.101 93.279 -11.188 138.829-135.044 94.598 -89.242 129.750 -76.139 120.931-149.359 134.365 24.365 128.196 156.125 116.110 -57.639 91.527 87.918 129.196 -76.418 132.267 -46.493 142.023 -93.991 92.689 81.808 133.289 -55.496 91.258 66.235 130.422 -76.217 93.491 81.136 126.044 -95.168 127.455 -64.409 157.046-160.204 128.912-131.043 141.438 160.072 130.763 -79.099 116.693 157.261 121.782 89.887 168.629 -82.402 110.124-128.263 123.662-136.514 126.091-122.516 158.114 -34.710 124.934 -75.072 176.462 -28.527 94.666 65.837 0.000 0.000 124.846-147.342 116.483 -91.490 116.622 177.667 106.492 -84.861 127.897 173.495 0.000 0.000 112.870 101.724 167.064-129.280 120.788 -71.350 176.240 155.226 94.897 78.902 121.122 -87.770 131.453 -91.416 147.395 166.379 124.276-159.066 118.898 -87.679 121.934 -68.464 150.114 -17.020 125.147-157.638 136.321 -98.232 127.613-135.491 165.860 -18.286 94.388 53.198 143.449 -85.827 139.186-172.331 144.104 -95.485 125.263-114.484 135.188-111.663 123.383-111.776 116.784 -53.587 117.621 178.365 170.074-114.963 126.396-141.820 176.444 -73.211 118.443 0.000 135.017 130.735 # 58 total E -3.95054E+02 rmsd from N 0.000 %NC 0.00 126.136-132.267 147.845 -65.658 115.486 87.150 127.088 -89.451 121.153 161.646 109.052-104.499 91.890 145.213 133.519 -78.870 93.422 53.380 109.048 -67.220 140.819-170.318 154.738-102.358 125.362 -59.761 164.219 -73.185 131.359 -51.982 53.266 -84.443 107.602 -65.332 81.706 -77.024 112.617 165.762 164.682-130.959 111.223 163.988 148.024 -72.839 124.405-175.497 157.601 144.042 119.982-176.779 161.035-143.821 131.577-155.292 0.000 0.000 127.629-105.290 147.527 -85.971 94.264 89.013 139.140-102.501 92.303 72.934 137.659-102.932 92.680 106.305 134.010-107.376 108.176 21.876 0.000 0.000 102.474 -77.793 129.614 -22.044 118.228 -39.959 167.201 -57.224 94.224 111.265 126.822-103.794 94.519 74.697 139.577 -74.924 125.867 -67.155 158.759-127.398 92.261 109.162 130.983 -77.115 125.955 -94.243 134.904 -90.962 125.187-159.624 151.192 -20.692 126.641-160.721 143.232 -82.609 127.598-117.353 142.829 14.286 124.357 -71.575 101.955 -63.935 113.800-165.901 134.656 -73.584 92.457 65.452 139.363 143.210 92.032 76.050 136.268 -65.819 91.362 15.157 130.295 -77.785 111.016 -77.503 101.977-100.909 118.966-164.082 122.607-129.802 130.392-161.800 143.451 -57.222 92.889 88.617 105.883 -22.202 91.914 52.450 130.234 -76.969 95.182 113.832 131.564-149.320 92.505 -32.547 154.307-141.363 91.972 -52.971 148.169 127.505 95.929 2.089 0.000 0.000 110.448 -53.061 143.913-158.667 90.661 -31.845 103.104 -65.469 94.041 102.758 0.000 0.000 120.771 173.044 129.276-121.541 93.203 64.764 112.209 -50.543 95.383 113.705 120.293-124.111 126.767 -88.981 166.532 19.720 93.515 44.958 154.020 -24.281 94.141 45.109 136.356 -41.516 92.080 86.716 129.924 -77.032 123.315 172.239 166.421 25.640 92.539 -45.583 111.275-106.540 95.093 -17.356 144.259 -77.602 131.594-134.261 172.175 154.899 122.492 -94.712 143.556-121.879 136.759-168.743 134.354-133.129 94.880 73.199 139.474-105.938 117.614 0.000 134.838-141.963 # 59 total E -3.94622E+02 rmsd from N 0.000 %NC 0.00 113.286 138.288 157.009 -71.741 126.839 -94.556 168.903 -68.269 93.071 64.943 138.115-162.654 91.977 142.298 129.419 -75.896 111.423 -44.805 92.370 -93.026 93.576 12.269 127.838 -82.175 117.905 -95.223 135.782-117.581 135.122-110.703 100.424 -63.642 121.159-159.530 98.704 -72.185 116.279 163.251 159.640 -18.525 93.338 59.055 113.996 -96.258 119.041 168.625 163.871 173.412 114.165 -66.026 170.145 -22.473 121.402 -17.202 0.000 0.000 126.313-110.471 157.206 -92.185 126.998 -90.045 136.962 -83.709 125.212-157.006 144.476 125.400 130.198-146.624 146.100-120.331 94.595 139.927 0.000 0.000 118.838 156.447 137.419 31.530 128.970-119.088 131.097 -66.192 96.337 167.835 143.365 -94.879 95.811 47.821 161.142 -98.437 92.730 107.672 93.484 -5.279 92.460 33.271 176.427 -89.414 108.484 -77.839 154.708 176.788 93.675 -22.087 107.954 -82.457 92.601 113.275 130.195 -76.594 122.880 -99.823 166.220-112.513 118.314-177.546 174.775 -61.249 130.843 -21.368 176.442 -88.916 123.871-136.149 146.043-109.813 127.105-152.778 153.719-161.867 113.730 -23.262 149.384 -85.350 119.396-155.458 176.445 179.916 124.353 -85.684 155.907 43.693 91.900 59.820 141.587 -99.734 124.763-120.390 102.253-138.316 91.401 60.486 129.435 -76.265 93.958 67.323 129.177-154.635 92.616 130.656 148.826-175.199 112.742 9.609 140.797-140.014 94.954-177.786 0.000 0.000 124.238-154.848 144.253-129.804 124.288 167.368 108.052 -77.318 110.921 7.670 0.000 0.000 130.768 -85.950 130.641 -93.727 118.689-147.199 149.936 75.828 127.353-109.043 170.095-124.218 121.707 133.247 120.868-133.530 120.976 -97.753 162.305 -20.366 92.383 45.998 145.475 -90.457 90.949 51.793 129.625 -76.298 92.948 45.770 139.819 -75.852 91.109 49.694 132.012 -75.415 93.028 54.482 115.701 -82.919 92.693 72.798 123.738 -73.728 93.905 -40.009 91.909 -79.945 120.214-170.409 144.520 -74.722 127.200-114.657 140.811-130.789 117.926 0.000 148.645-145.855 # 60 total E -3.94374E+02 rmsd from N 0.000 %NC 0.00 126.030-133.930 151.577-105.781 130.882 -69.121 173.160 -38.441 115.565-145.246 112.897 -71.648 127.368 179.334 154.070 -90.250 126.940 173.091 168.025-101.853 94.030 -29.011 141.150 -73.853 114.375-148.883 163.706-139.738 132.653-171.054 147.709 -27.112 95.647 66.728 95.890 76.804 93.886 -64.646 134.462 162.572 121.682-152.237 130.206 -89.891 126.976-131.027 131.372 -98.918 122.647-158.298 150.824-141.223 132.114 -82.933 0.000 0.000 124.671 -83.528 165.406 -82.651 97.444 -15.149 133.566-108.765 93.026 106.632 141.541 -85.039 122.863-111.265 119.931 114.043 134.625 -96.243 0.000 0.000 126.239 -90.177 119.634 -53.162 123.273-150.436 131.984 -72.162 128.616 -74.698 147.066 -80.283 125.136-155.753 114.556 -92.251 127.320 -76.107 139.261 -83.480 91.032 86.183 130.835 -76.675 91.946 101.878 128.151-122.252 91.351 78.556 134.637-116.102 91.270 15.508 129.144 -76.899 102.871 -78.203 134.144 2.649 125.793 165.070 136.365 -89.836 91.791 96.220 126.701 -73.379 118.629-127.187 151.418 -3.164 133.416-161.073 158.314 148.471 90.720 -7.653 130.644 -77.421 117.859 -89.517 146.212 24.506 128.952 -95.123 137.261-107.890 119.056-158.741 126.071 -17.771 132.909 -98.696 133.939 159.700 123.520 -7.059 126.462 -93.349 120.480 -85.987 133.166-151.475 92.869 111.385 149.369-109.979 123.699 -91.597 96.674-103.944 94.696 159.803 0.000 0.000 93.913 91.643 112.341 -92.667 118.900-149.892 139.419 -38.905 134.123-102.338 0.000 0.000 115.309 100.918 166.070-116.961 127.330 -72.859 102.413 -54.101 120.407-160.883 135.546-108.727 122.003 143.089 127.034 -47.106 93.398 22.762 157.287 -8.574 111.120-113.364 111.148 -79.525 128.788-177.815 159.104 -91.067 124.125-169.839 121.553 -53.550 121.366-175.462 138.050 73.586 126.492 -70.347 135.605-120.899 128.513-149.409 158.076 11.687 126.057-166.777 119.566 -64.115 121.079-177.838 169.570 -86.592 127.030-116.068 136.498-129.611 117.944 0.000 149.789-142.695 # 61 total E -3.94316E+02 rmsd from N 0.000 %NC 0.00 91.576 65.303 150.458 29.255 129.883 -66.568 141.465 -87.486 115.445-162.579 135.169-143.448 91.806 144.252 158.439 -72.015 93.263 54.352 134.548-136.465 95.979 99.227 126.889-112.014 96.095 -89.403 101.568 -85.794 93.385 25.971 121.836 -50.465 121.840 -83.310 120.063 -53.542 122.875-172.338 151.385-101.560 119.356 176.457 169.381 -19.176 125.004-161.413 164.431 169.325 118.920-179.692 174.187 -18.544 125.955 172.003 0.000 0.000 118.739 161.113 148.849 105.819 95.126 85.035 141.605 -72.046 93.301 177.550 118.359 -89.503 121.697 -70.257 112.335 99.740 148.389 -61.913 0.000 0.000 140.517-163.877 140.081 -4.834 125.279 -72.848 126.392-109.774 126.333 -76.400 129.660 -62.145 130.050 -81.282 99.588 -75.238 118.552-141.028 155.002 140.824 128.497-176.521 153.806-100.559 124.297 -79.063 170.873 -76.964 93.331 114.998 100.318 -85.419 127.671 -94.946 109.377 -97.038 92.240 63.090 122.735 -34.804 93.638 76.738 139.991 -71.694 91.521 71.417 132.199 -79.630 118.481 -92.076 111.365 -93.464 121.757 173.166 115.470 -34.365 114.226 -31.304 164.999 -78.100 107.927 -80.516 84.145 -87.649 92.163 57.186 126.617-107.290 92.202 58.840 148.715-126.235 93.330 124.551 131.922 -15.786 112.375 -22.482 144.726 -82.664 94.801 164.871 134.229 151.585 94.051 110.383 157.563-129.469 116.083 -4.280 144.202-123.207 116.397-166.482 0.000 0.000 93.409 75.414 127.864-107.650 93.623 45.823 89.831 -85.895 95.608 166.333 0.000 0.000 119.147-108.503 116.156 -83.363 124.894-141.162 145.258-159.447 125.197-159.175 97.760 -67.599 117.080 14.159 122.759-120.230 92.755 145.139 145.518-158.337 92.635 16.902 144.650 -6.257 111.789-177.459 169.323 -90.350 95.346 42.065 142.411 -73.657 94.105 105.572 144.017-106.069 93.241 -30.424 143.712 -74.343 96.006 -56.141 173.825 170.159 93.624 7.931 125.962-111.702 122.732-152.174 169.226 -39.520 126.282-136.117 64.898 -56.463 117.308 0.000 135.913 58.667 # 62 total E -3.94109E+02 rmsd from N 0.000 %NC 0.00 91.631 112.505 134.886 -67.884 126.737 -86.348 171.663 -59.336 116.141-101.068 136.490-148.360 91.782 52.810 155.549 -83.210 93.619 55.689 148.589 -79.664 94.282 106.255 166.111 -98.631 93.216 20.620 114.331 -74.803 113.729 -98.860 62.643 -92.705 92.689 104.019 91.363-110.733 126.952-125.520 176.466 -8.959 94.552 50.073 139.153 -68.270 134.777 130.643 127.032 84.869 111.049-157.293 155.303 -59.002 113.253 1.315 0.000 0.000 93.744 -66.137 147.771 -93.048 94.592 -22.850 137.352-115.269 92.677 109.470 174.336 -20.407 93.678 18.119 110.498 118.298 116.635-163.583 0.000 0.000 122.982-112.119 137.501 -44.851 123.400-152.182 132.972 -50.669 95.879 90.740 132.043-101.925 124.901 -78.461 142.155 -72.121 92.179 67.402 137.823 -85.017 91.300 48.766 129.117 -74.408 92.102 54.523 153.679 159.053 91.396 58.695 150.982-116.261 91.367 -70.178 134.163 -79.033 135.841-179.938 140.905 33.422 125.187 -56.579 128.865 -53.800 114.563-134.323 153.298 -93.933 126.136 88.025 151.423 113.971 93.117 118.422 91.459 -70.740 91.477 -31.355 131.827 -74.343 95.802 -53.279 116.727-137.147 93.124 11.939 146.936-137.921 118.014 -70.537 113.698-122.724 93.287 38.461 130.922-113.560 127.426 -67.161 168.464 -85.019 94.082 -24.133 118.084-132.280 94.139 133.785 149.635-106.812 126.095-169.002 166.902-170.054 131.602-150.110 0.000 0.000 125.521 -85.068 131.457 -70.757 123.469-168.945 103.212 -77.885 121.386 163.840 0.000 0.000 93.896 75.839 123.464 -90.940 125.102-141.048 145.191 -61.143 96.414 132.571 161.888-130.261 121.394 154.452 176.119 151.214 92.888 32.219 143.297-114.670 110.490-152.138 147.954 -36.714 132.127 -85.647 168.442 -88.290 128.970-157.137 143.751-101.665 125.047-159.525 142.867 -62.159 125.775-149.498 142.478 -89.508 130.103 -90.029 162.953 156.797 127.068-156.562 120.194 -65.180 120.198-176.019 137.696 -92.762 127.047-115.460 139.319-127.569 117.850 0.000 148.978-147.688 # 63 total E -3.93369E+02 rmsd from N 0.000 %NC 0.00 126.071-127.829 150.238 -79.690 125.805 -86.608 130.646 -89.863 122.830 173.589 123.579-124.500 132.804-162.390 152.115-100.138 111.807 -62.802 140.860 -77.351 94.120 -19.128 82.887 -98.256 94.885 84.449 139.822 -76.934 135.019-109.925 138.230-153.274 130.109-154.808 142.958 28.440 131.843 -42.696 163.596 116.801 119.396-169.824 164.655 -70.523 94.095 63.444 137.170-121.005 114.338-134.829 117.149 -96.773 121.178 165.458 0.000 0.000 120.153 176.054 176.533 150.565 94.397 76.400 145.413 -75.137 92.959 77.143 113.513 -85.902 132.136-150.441 152.281 129.541 122.047 173.753 0.000 0.000 126.790 168.205 124.528 -77.501 129.811-167.827 102.177 -78.220 126.290 165.181 149.184-124.648 127.864 -91.868 164.105 -74.910 93.056 84.053 152.046-130.250 92.038 24.767 129.836 -76.451 108.793 -77.777 83.267 -63.639 111.123-173.918 150.661 -15.028 138.539 -52.652 150.485 -81.695 126.689-150.151 150.757-130.615 135.362 152.765 125.316 -43.479 91.751 88.987 125.231 -73.623 93.818 6.409 105.409 -97.084 96.923 -89.513 148.137-120.066 119.305-178.050 145.731-103.124 117.935 170.639 149.011 6.562 92.831 73.490 142.297-136.647 91.886 60.464 149.864 -98.101 118.639 162.277 90.522 -71.137 126.582 175.936 138.630-105.067 119.149 -71.708 157.774 -4.590 122.251-173.139 146.358 -31.817 118.356 -49.616 120.329 -89.707 94.594 103.025 0.000 0.000 121.335 -90.459 106.787 -75.342 93.354 123.234 128.004 -39.495 122.069 165.104 0.000 0.000 93.584 77.254 96.827 -72.737 123.531-108.359 176.422 150.394 124.384-127.982 173.888 -46.858 116.273 7.246 161.339 30.328 114.006-122.552 150.330-129.710 94.009 98.949 110.808 -75.937 91.516 71.206 127.813 -74.624 118.733-132.382 133.245 -84.034 127.510-121.522 163.897 -68.262 115.139 123.035 136.756 100.461 137.849-151.738 176.444 142.262 119.879 -57.425 171.618 -34.509 120.226-164.689 168.060 -66.646 126.994-115.471 135.674-129.224 117.896 0.000 150.280-143.819 # 64 total E -3.92231E+02 rmsd from N 0.000 %NC 0.00 125.829-109.867 146.007-102.735 94.684 79.485 113.444-108.685 138.094-155.692 103.000 -86.614 91.239 85.977 175.255 -90.249 93.317 104.711 133.854 -71.330 125.029 -94.395 100.072 -86.877 94.386 44.454 140.061 -77.031 131.282 -82.076 133.563 130.296 116.407-170.974 107.101 -68.995 112.968 147.394 158.237 -20.490 93.432 60.362 111.814 -97.958 119.510-147.157 130.293 -98.294 127.234-178.771 155.136 151.283 134.954 -82.889 0.000 0.000 113.936 152.236 139.455 87.647 94.412 98.026 115.558 -74.478 92.383 63.200 133.562-146.194 93.494 51.181 117.149-117.216 144.253 -51.749 0.000 0.000 122.947-161.722 149.838 -51.851 133.468-122.502 147.936 27.629 120.536 -92.220 114.145 -54.556 126.656 -94.404 165.150-168.192 93.096 82.032 155.396-126.944 91.839 103.860 154.496 -68.706 95.750 -88.032 79.888 -88.717 93.780 -44.234 94.371 -80.272 91.609 131.067 127.121 -73.867 92.176 52.472 119.162 -44.705 94.737 86.771 157.260-149.644 91.788 69.244 129.443 -76.719 116.689 -75.494 151.071 -4.546 93.980 -28.827 88.045 40.756 128.154-159.745 154.545 -83.855 134.097-119.743 153.492-176.117 128.996 -79.322 156.711 148.377 92.259 96.286 128.472 -65.699 122.206 155.442 68.965 -64.116 125.396-155.816 144.329 -83.881 132.228 -84.848 119.507-111.266 125.244-165.043 129.576 -82.916 109.341 -63.268 163.147-144.769 114.515 -27.993 0.000 0.000 93.648 93.524 130.594-111.031 94.107 152.116 134.519-139.665 116.682 161.919 0.000 0.000 122.043-174.063 110.038 -73.142 125.331 171.871 112.131-105.532 93.410 80.678 104.216 -74.338 92.920 93.244 119.388-138.600 93.657 12.896 152.565-172.175 96.176-102.864 109.096 -75.300 129.624-177.023 147.906 -81.392 116.598-177.115 139.906-114.534 134.005-158.631 121.431 -74.122 125.207-147.517 129.513-111.492 127.640-178.780 166.771 171.220 93.943 76.414 145.988 -78.306 93.221 90.282 114.680-103.844 122.391-117.661 121.030-110.547 118.144 0.000 147.894-161.408 # 65 total E -3.91862E+02 rmsd from N 0.000 %NC 0.00 124.883-135.364 168.389 7.179 126.538 -93.956 164.839 -77.167 115.112 107.731 136.419-145.755 92.201 117.016 131.405 -77.184 124.759-131.024 133.829 -75.431 126.250 -96.157 127.365 -76.148 123.667-174.341 176.445 -54.567 130.632 -77.857 140.261 133.819 116.068-161.503 102.478 -65.503 124.957-130.317 174.619 -3.751 116.335 98.616 167.172 -55.963 108.875 -53.177 146.806 155.176 94.488 -52.933 140.324-112.073 125.202 94.115 0.000 0.000 126.975-114.773 159.626 -67.641 94.953 75.070 176.432 -68.939 93.463 77.652 127.170 -90.912 129.977 -49.430 135.542-123.432 128.968-122.304 0.000 0.000 128.522 -66.700 141.326 35.967 94.344 113.914 139.272 -74.214 126.630 -88.591 122.323-117.189 94.951 61.355 144.472 -77.744 93.144 98.191 124.345 -53.986 116.133 -77.058 129.207-115.032 93.710 3.266 139.513 -75.739 121.286-100.528 103.784 -85.841 122.980 165.583 149.954 -77.257 93.386 38.240 129.315 -15.101 133.409-126.470 146.977-118.541 91.992 93.381 129.402 -76.283 134.992-103.881 114.235 -82.332 120.259 -51.612 165.841 171.430 107.073 84.937 145.845 -78.271 126.245 -77.276 93.135 -90.525 122.833-149.059 163.553-108.458 124.701-138.370 138.791 -2.467 108.152 -11.355 137.794 -24.952 103.213 -99.249 148.546 -95.106 93.436 33.890 132.758 165.894 93.852 79.270 153.798-125.103 121.992 -77.642 160.337-153.360 141.248 -63.547 0.000 0.000 130.618-164.605 147.931 -89.548 125.296 -88.922 152.510 -1.062 119.949-172.713 0.000 0.000 125.252-125.066 109.018 -76.315 130.632-122.221 151.145-165.819 128.095-132.097 125.782 -89.648 117.217 -43.644 139.174-149.850 93.499 -90.575 144.939-115.095 92.573 62.064 146.423 -22.630 92.079 78.368 129.391 -76.101 125.379-106.293 161.408 -5.771 124.847 -63.384 135.268-111.702 124.619-154.260 122.158 -78.635 144.660-163.947 122.699 -77.322 92.845 69.440 92.626 -70.553 129.979 -99.306 110.643 -98.553 123.051-130.420 101.115-124.609 117.029 0.000 164.824-106.693 # 66 total E -3.91836E+02 rmsd from N 0.000 %NC 0.00 91.580 60.643 132.716 -67.732 124.154 -87.639 133.721 -71.292 114.033 -74.390 109.367 -82.951 92.499 -4.154 130.721 -77.275 138.507-129.549 173.531 -96.377 125.116-131.297 131.558-110.020 121.124 -78.101 169.367 -96.131 93.685 67.789 176.452-177.354 121.281 -75.759 121.261 -48.787 124.692-140.512 170.548 -6.901 126.726-123.837 167.042 -72.089 124.494-142.481 167.799-169.990 122.607-176.026 156.043-115.004 94.517 77.757 0.000 0.000 121.449-131.305 164.916 -91.381 95.397 93.941 128.247 -93.220 125.172 -95.860 136.841-100.115 112.728 178.760 103.992-113.900 95.759 140.280 0.000 0.000 92.562 66.120 128.375 85.476 94.388 138.209 142.217 -72.989 129.935-100.114 114.841 -97.308 130.385-154.030 104.431-112.974 122.543-139.063 134.529-100.342 91.502 72.083 130.790 -78.182 93.796 98.046 157.724 75.798 125.790-100.241 77.311 -73.570 132.527-111.513 132.150 -85.369 108.158 -54.823 123.897 36.024 119.144-165.876 132.449 -64.580 91.928 86.675 129.878 -76.674 124.193-102.565 127.383 -95.654 93.271 73.271 134.489 -69.051 131.127-108.474 149.425 -84.967 114.177 142.083 128.769-125.219 128.609 -87.314 150.334-176.412 121.957 -26.005 156.090 -27.184 130.316-153.227 115.818-110.321 140.846 168.483 143.141 -83.776 105.974 -0.034 136.066 -94.375 94.532 -75.042 112.771 -83.338 93.935 -23.329 143.026 61.599 126.011-147.452 0.000 0.000 102.990 -45.144 144.032-111.318 92.352 -14.053 137.815-128.426 121.578 -14.169 0.000 0.000 124.314 -58.007 127.351 -71.175 137.585 88.746 107.754 -72.724 127.420-101.676 161.964 -53.033 123.433 175.041 65.229 -85.205 93.169 66.334 154.617 -22.762 93.550 89.723 142.456 -92.786 122.009-131.155 142.897 -88.797 95.416 87.751 142.662 -74.023 127.072-117.222 143.532 -88.291 127.981-178.710 162.926 2.455 92.566 45.954 157.318 96.844 121.489-152.741 103.197 -68.793 119.254-158.912 170.583 -49.980 126.684-133.186 115.212-133.871 117.817 0.000 147.442 151.768 # 67 total E -3.91370E+02 rmsd from N 0.000 %NC 0.00 125.339-103.125 151.312 -88.410 95.184 75.060 140.037 -73.833 92.791 70.470 106.630 -93.619 91.423 -11.390 130.212 -77.205 117.206-104.494 168.826 -83.281 127.107-147.150 119.752 -88.669 126.283 -84.907 137.742 -73.616 119.420 170.679 111.987 -43.534 93.155 79.553 89.409 -88.343 125.351 -78.332 173.928-158.440 118.808-167.853 166.655 -27.116 93.283 49.131 152.544-167.497 93.165 36.215 118.773 -92.418 95.240 50.945 0.000 0.000 93.985 54.205 131.486 -86.029 125.822 -71.642 135.046 -71.520 92.548 85.268 163.097 -31.173 91.960 2.846 139.090 -98.842 99.085 -96.532 0.000 0.000 123.993 120.460 123.434 -56.319 96.091 40.786 163.829 -80.140 94.796 105.592 128.307 -76.877 94.073 93.874 142.246 -73.880 92.732 152.532 136.079 -79.432 132.536 165.088 148.013-109.580 93.628 19.613 140.983 -76.779 95.060-146.708 133.410-113.494 132.103-169.511 118.848 -38.140 92.748 76.296 110.875 -54.793 144.198 -64.284 129.075-109.600 136.916 -61.737 132.317 -96.154 92.013 59.683 155.828 15.319 90.881 58.156 125.106-119.953 90.962 91.442 127.988 -75.957 92.236 97.422 164.622-151.420 91.229 13.162 139.941-137.243 104.068 -54.254 139.345-157.645 132.981-144.859 103.954-119.581 138.039-115.572 144.096 -57.963 116.608 -52.587 93.787-103.120 93.852 114.902 153.104 -9.158 94.798 41.020 118.129 -92.928 126.022-176.695 0.000 0.000 111.738 105.872 165.048-133.253 118.905 -91.179 105.228 -74.130 94.142 57.091 0.000 0.000 114.127 155.010 168.461 -96.180 120.225 38.948 148.079-119.019 128.886-137.203 137.649 -73.802 93.908 60.875 117.558-149.924 93.721 89.693 155.954-126.302 118.800-107.582 107.130 -69.035 124.524-177.754 150.644 -86.811 125.546 176.457 161.598 -27.508 92.614 69.654 143.745 95.517 94.872 92.198 113.815 -74.807 123.215 -81.411 167.747 10.747 125.384-160.233 122.226 -61.292 120.075-175.572 168.306-104.399 127.158-115.738 140.105-126.087 117.980 0.000 148.945-149.021 # 68 total E -3.91326E+02 rmsd from N 0.000 %NC 0.00 124.894-109.068 157.985 80.370 127.488-112.122 110.627 -94.108 92.852 63.312 102.764 -87.376 91.453 127.113 131.331 -77.387 93.042 50.836 113.551 -69.400 93.889 76.486 138.787 -97.753 92.988 15.668 139.315 -77.241 108.163 -94.874 93.952-112.541 93.767 144.021 143.155 -90.918 91.851 73.805 157.950 -97.070 93.022 82.432 139.273 -71.987 118.009 -81.486 162.000-155.376 115.436 -67.729 116.107 -96.275 95.126 76.070 0.000 0.000 93.225 103.975 129.869 -88.115 130.962 -96.359 106.729 -89.335 121.200 179.965 123.554 -69.343 140.390-170.071 136.561-131.593 94.705 119.297 0.000 0.000 131.148 172.641 152.817 -7.232 124.964-155.625 169.905-102.600 125.102 -55.149 162.993 -27.042 136.363-154.102 141.613-100.238 123.347-168.743 112.141 -70.450 122.028 -87.759 154.550 -96.809 94.307 5.488 168.720-114.643 94.859 75.603 135.829 146.439 130.358-172.084 153.880 -82.436 125.738-156.920 148.476 19.843 120.770 -56.640 162.131 -45.740 134.559-160.264 145.199 -82.468 123.650-140.444 159.079-103.608 126.074 -86.398 145.374 160.306 132.797-156.313 136.067 -75.943 116.209 -47.095 132.173 53.015 94.169 -31.662 150.163 163.524 92.443 87.950 137.317 -86.289 132.684-109.864 116.118 -92.662 121.465-101.206 131.293 -76.932 94.563 -38.284 127.440-120.375 115.633-151.071 165.182-149.106 112.975 169.570 176.437 -17.513 126.986 173.656 0.000 0.000 121.061 113.719 119.224 -89.406 90.308 -51.835 138.098 -18.573 91.900 -32.961 0.000 0.000 119.151 -78.320 151.078 -96.178 114.524 170.703 122.673 106.275 95.105 86.974 156.673 -32.287 114.122 129.522 123.029-129.720 116.107-111.703 157.131 -28.984 93.212 62.279 150.023-105.768 91.954 70.027 129.431 -76.212 125.404-133.762 119.655 -69.446 114.199 167.350 133.499 -92.291 121.216 110.685 145.984-113.139 128.415 -96.003 169.953 161.061 127.182-158.028 122.349 -62.608 120.173-175.768 138.360 -93.609 127.068-115.522 140.037-126.847 117.849 0.000 149.073-149.060 # 69 total E -3.91218E+02 rmsd from N 0.000 %NC 0.00 111.149 -17.115 151.033 70.394 128.847 -98.117 124.786 -89.350 129.765 138.348 89.387 -79.376 92.919 153.768 129.034 -76.270 101.945 -60.878 88.150 -97.504 92.986 18.639 140.880 -75.556 115.238 -78.149 162.370-112.769 132.957-161.731 84.788-112.511 125.437 -78.300 147.230 -57.241 121.940-149.105 146.523-135.178 133.793 -54.411 140.556 -89.685 126.395 -96.932 176.517-170.767 93.392 -2.653 110.834-152.332 128.886 -75.151 0.000 0.000 116.582 81.528 122.601 69.400 119.140-121.217 132.320 -87.676 116.199 160.832 148.775 145.024 125.717 -85.437 108.173-110.842 94.579 168.092 0.000 0.000 131.355-166.441 139.415 -41.406 93.946 68.370 124.129 -95.242 93.368 124.847 142.759 -72.203 120.609-111.134 110.063 -81.187 92.322 61.169 116.374-153.746 91.292 43.873 130.027 -77.674 93.528 38.089 145.706 -77.929 92.225 70.419 135.928 166.648 91.085 65.558 130.751 -79.375 92.476 92.938 113.236 -47.080 114.208 -74.273 165.301 -64.986 92.156 0.812 129.585 -76.362 133.232 -81.907 152.038 -57.961 114.963 174.864 155.563 171.581 91.476 79.943 129.671 -76.024 93.301 83.315 131.954 139.150 92.674 22.667 135.352 104.082 93.412-107.886 103.586 -63.608 106.005-153.920 124.590 -21.156 126.733 103.201 151.543-105.734 107.941 -99.471 147.422-162.394 126.856 168.412 155.281 2.338 92.069 -63.838 163.010-125.863 92.983 16.690 0.000 0.000 119.460 -49.865 109.287 -62.276 117.701-132.948 155.706-131.484 122.060 13.530 0.000 0.000 122.087-164.390 147.853 -64.508 92.961 51.765 127.069-156.259 125.751 177.289 139.695-112.475 126.965 -88.786 81.603 -43.945 124.706-154.512 150.559 161.823 125.088-175.865 103.979 -85.411 122.301 79.667 138.877 -81.964 132.460-154.767 129.015 -64.316 93.936 71.036 132.667 -97.159 96.017 -24.025 116.253 -57.620 114.659 174.311 176.467 159.352 95.688 80.624 162.250-114.701 117.934-125.138 123.832 -76.956 125.473-129.267 167.100-141.941 118.204 0.000 145.774 169.097 # 70 total E -3.90745E+02 rmsd from N 0.000 %NC 0.00 126.118-135.521 141.977 -79.223 125.110 -90.562 115.490 -80.695 109.206 105.039 138.518-153.516 124.912 -76.592 154.669 -81.790 122.523 -19.255 167.985 -84.027 127.218 -80.994 165.455 -74.186 92.323 51.621 125.959-107.002 92.162 43.355 111.166 -71.723 91.517 49.604 159.265 -78.219 91.884 41.770 141.393-104.191 92.540 56.903 141.196 -71.105 92.695 71.291 130.506-111.398 109.170 173.377 119.396 -91.325 121.820 172.054 0.000 0.000 122.976-178.346 165.832 118.192 94.373 91.109 143.860 -74.822 92.334 69.411 123.173 -92.776 93.153 124.793 117.771-122.819 140.831 -92.813 0.000 0.000 125.446-110.735 117.764 -73.366 96.125 -9.756 128.186 -97.685 132.646-145.618 139.599-122.340 95.187 99.152 143.872 -74.443 126.845 -86.773 102.909 -50.720 125.181-177.978 147.083 -84.781 123.308 70.903 124.485-108.061 92.287 -61.686 144.088-154.620 92.362 -19.822 129.751 -76.127 94.711 102.204 103.075 -63.355 129.847 -65.755 141.839-113.119 131.025 -49.814 149.510 -99.580 132.776-155.159 141.522-138.059 127.108 -87.487 143.520-100.644 102.902 -36.203 129.655 -76.599 93.608 91.377 103.790 -73.158 94.781 -4.658 148.646 141.174 92.998 -87.438 128.515 146.517 127.709 153.678 78.444 -70.996 91.846 92.357 129.228 -77.510 129.784 -96.098 140.446-153.487 129.427-145.909 154.722 -14.780 93.795 4.500 144.584-124.847 129.837 -8.265 0.000 0.000 127.674 -95.237 81.077 -66.472 115.441-174.152 142.318 -27.829 135.096 174.297 0.000 0.000 93.122 75.187 130.351 -87.549 121.752 -82.597 77.983 -85.665 124.575-155.450 148.869-103.752 131.249 -96.406 154.430-150.285 93.312 61.394 144.582-127.163 122.512 177.178 147.892 -21.002 125.834-171.910 147.032 -81.707 126.869-178.784 123.470 -83.308 118.210 167.896 161.963-104.575 94.358 80.155 120.616 -62.888 93.450 80.987 135.691 118.007 94.152 -31.112 141.559 -75.169 120.398-158.410 145.436 -83.055 126.237-119.361 167.494 -96.055 118.582 0.000 140.712-169.748 # 71 total E -3.90534E+02 rmsd from N 0.000 %NC 0.00 91.553 63.245 135.387 -66.565 129.204-146.355 133.799 -71.397 92.543 48.479 137.869-162.057 107.393-138.205 147.475 -96.068 93.759 59.498 164.608-110.173 95.176 106.039 145.886 -76.514 124.876 -87.598 165.286-140.366 144.467-143.087 139.040 -29.266 113.808 -69.575 79.085 -84.364 117.833 137.819 126.976-121.537 93.517 35.300 141.764 -72.390 95.076 80.662 93.676 -66.183 95.697 35.921 144.566-134.815 95.996 131.050 0.000 0.000 119.866 173.854 160.849 -46.445 94.067 118.871 143.023 -64.687 110.907 136.894 141.784-163.065 130.942 -86.132 159.085-149.087 94.223 100.326 0.000 0.000 120.934 -86.909 176.456 -30.511 95.577 72.556 165.744 -73.881 126.182 175.524 130.309 -50.779 124.122-178.709 127.745-111.258 126.187 -77.817 98.844 -38.018 126.583-131.789 142.583-101.025 126.961 90.991 145.592 -67.443 123.151-166.319 157.559 174.941 130.786 -88.715 129.593-126.865 126.113-101.789 142.992 5.499 94.152 82.614 167.849 -77.510 92.087 67.931 128.029 -75.369 121.903-145.054 143.018 31.566 127.742-173.070 131.010-121.151 91.282 68.879 137.413-130.683 125.558-158.005 97.027-110.382 126.892 -58.577 146.703-106.619 91.461 -25.525 137.963 -97.703 93.338 109.029 99.775 -87.877 116.461-157.983 148.682 -81.319 94.644 64.662 127.936-179.297 118.946-153.174 171.929-151.760 115.524 -29.365 176.438 -39.246 94.208 97.163 0.000 0.000 92.754 90.834 118.130-114.480 93.535 31.977 137.589 -25.051 125.231 -22.450 0.000 0.000 120.671-105.140 169.890-114.436 128.388-158.326 117.685 57.490 119.337 -72.557 143.730-112.668 92.965 74.993 173.229 21.189 94.345 18.541 146.314-144.685 94.821 -93.227 149.021 -7.249 128.159 132.165 146.035 -77.277 94.319 52.796 118.420 -76.243 126.734 -82.810 148.870-100.888 126.466-143.446 167.749 -3.005 127.591 -65.004 167.718 -1.370 96.756 -11.900 97.679 -46.420 131.753-143.171 156.639 -71.333 126.851-128.375 136.921-101.992 118.165 0.000 147.509 175.196 # 72 total E -3.89610E+02 rmsd from N 0.000 %NC 0.00 126.124-127.604 149.749 -78.457 126.222 -91.757 137.180 -96.473 118.721 -83.965 109.193-103.850 119.448 -9.386 147.551 -90.357 133.381 -94.386 141.796 -90.720 95.329 3.967 141.378 -71.235 111.321 164.255 170.057-114.588 123.879 167.355 151.578 -19.056 93.313 93.252 163.924 112.569 92.391 -8.421 144.444 -43.480 95.562 -80.565 120.124 -92.450 117.152 164.556 160.276-130.442 124.531 165.827 144.218 -11.697 117.174 150.484 0.000 0.000 92.700 90.202 137.519 -93.054 95.067 72.573 117.518 -86.566 106.387-113.816 168.233 -16.662 129.469 -92.564 88.634 -98.195 113.585-173.491 0.000 0.000 138.755 165.225 153.891 -41.941 94.052 68.937 140.286 -75.579 114.627 -60.332 161.921 -69.738 122.909-154.031 160.329 -57.017 116.363 -51.044 91.760 34.752 111.266 -75.348 134.884 -82.743 92.240 57.394 143.489 -78.756 91.510 56.329 108.286 -86.428 90.906 73.271 127.909 -76.577 91.709 24.559 139.162 -82.212 100.027 -89.451 112.192 -67.896 113.855 140.202 143.585 -84.100 116.174 -52.501 153.316-172.223 128.064-159.045 143.044 97.869 91.967 -2.162 128.605 -76.296 123.658-110.733 142.262 -40.779 128.067-171.038 116.109 -71.134 132.887 -66.095 131.582-173.138 113.523 76.560 131.155-110.442 134.166-140.603 124.115-116.059 93.438 58.433 126.272-155.511 93.014 61.155 157.613 -17.046 103.180 -95.690 144.340-103.394 112.505 179.943 0.000 0.000 93.318 78.803 136.053-135.692 93.117 136.248 101.256 -80.276 139.015 -70.922 0.000 0.000 93.906 65.013 133.567 -84.355 136.398-172.424 56.171 -77.977 120.190-167.216 166.351 -37.957 115.219 106.955 135.002 153.406 91.903 -13.732 146.656 -90.480 93.293 -72.220 146.668 -20.521 119.222 177.600 149.416 -86.847 95.797 114.497 165.989 -76.320 131.157-116.610 116.970 -83.872 123.779-163.103 162.540 -8.015 93.172 55.789 138.797 129.715 129.561-121.498 104.216 -59.895 119.915-107.357 117.699-108.352 96.404 58.298 137.427 133.309 116.445 0.000 151.787-175.873 # 73 total E -3.89262E+02 rmsd from N 0.000 %NC 0.00 125.037-103.523 176.500-123.844 128.718-153.720 137.861 -77.008 93.142 76.910 99.079 -79.064 125.997-106.610 135.303 -98.925 94.304 74.789 164.922-115.021 135.891-105.955 112.415 -76.528 95.405 122.428 134.702-115.153 130.323 -84.712 82.401 -67.867 113.419 -65.458 110.737 -61.012 115.589 92.895 175.438 -9.276 123.158-122.323 119.725-106.326 95.472 20.482 116.863 -79.887 112.792 -90.002 162.977-152.646 95.166 15.627 0.000 0.000 95.168 101.310 117.189 73.671 131.706 -93.816 176.431 -72.507 134.553 -85.816 176.454-167.734 134.159 -69.019 156.883-163.648 129.992 -17.326 0.000 0.000 118.542 3.370 126.042 47.805 94.430 72.795 140.447 -76.014 92.486 76.909 146.397 -77.633 93.345 69.410 104.251 -91.242 91.810 88.910 125.394 -67.155 91.221 -8.392 128.031 -76.572 104.520 -79.826 167.889-103.267 113.681-176.839 150.068-147.425 118.968 82.059 148.886 -60.935 122.784-139.214 150.090 164.363 127.394 -88.226 141.097-135.232 127.558-164.624 145.802 -76.046 115.755 93.937 155.107 105.360 125.100-128.968 142.798-113.676 131.288-160.684 146.417-107.126 125.646 177.009 148.332 0.486 92.686 66.285 117.683 162.755 117.804 168.485 121.308 11.558 120.649-144.620 104.500-104.437 132.687-105.722 144.932-108.948 120.927-169.200 107.301 -99.439 111.490 -57.364 142.301-117.754 92.445 -30.214 144.044-102.456 94.414 93.222 0.000 0.000 122.754-121.690 165.867-106.229 116.632 177.047 144.676 -29.310 139.783 -87.403 0.000 0.000 127.178 -92.921 151.046-107.487 93.762 77.496 135.920 72.995 116.807 -70.166 140.726-118.377 119.474 -27.633 152.336 163.773 94.237 131.804 141.388-121.238 128.624-122.996 127.079 -73.899 131.087 -81.210 153.224 -87.875 118.173 147.790 165.442 -82.348 92.322 66.192 130.005 -93.576 118.606 -89.968 84.566 -82.656 106.236-163.972 145.647-122.899 130.937-123.953 161.149 -28.080 106.527 165.053 111.421 -55.487 126.563-116.402 136.404-149.292 117.430 0.000 153.176-128.641 # 74 total E -3.88220E+02 rmsd from N 0.000 %NC 0.00 113.457 137.930 154.482 -73.849 125.566 -94.499 165.259 -90.849 125.047 117.721 111.870-104.270 125.887 -95.059 140.848 -96.872 125.045-152.064 170.255 -78.658 126.659 -90.213 126.355 -96.088 124.168-161.603 164.105 -26.260 119.424 163.719 127.767 140.956 114.185 122.350 132.510 47.962 91.914 -39.903 162.088 -38.725 111.007-160.355 161.645 -41.391 128.224 -93.382 152.701 125.279 114.247-168.255 140.790 146.184 123.651 174.278 0.000 0.000 93.009 97.170 147.222-102.434 95.131 -5.162 140.419 -74.071 93.816 -84.033 154.096-113.510 111.641 162.073 107.406-121.553 121.328 169.017 0.000 0.000 126.809-169.786 137.726 1.567 125.283-121.937 98.327 -66.878 111.129-179.918 126.361-128.179 95.117 55.898 141.248 -81.206 110.267 157.441 99.224 -39.753 112.023 133.943 145.531-105.715 93.153 105.351 121.668-119.981 93.306 -1.615 147.863 -22.295 119.794-114.145 144.297 -78.984 91.636 65.625 108.420 -55.897 92.955 67.340 141.771 -74.678 90.627 65.541 129.470 -77.460 91.444 53.149 109.972 -90.965 91.946 103.101 135.422 -40.267 91.060 -8.216 147.343 -97.289 98.848 -79.178 156.596 -31.907 93.628 -5.576 143.306-154.245 93.279 94.188 137.264 -97.384 130.223-161.447 163.106 103.133 129.590-146.737 174.217 -89.660 107.375 -40.915 154.715 50.324 94.150 -99.626 113.580 -76.815 94.022 98.023 160.536 155.283 123.749 -10.248 0.000 0.000 119.611-106.481 140.568 -97.725 123.482 178.939 160.553-167.306 133.127 -85.769 0.000 0.000 120.924 178.037 171.164-119.396 133.003-173.737 132.997 49.869 120.422-154.429 169.478 -47.874 138.670 -95.679 111.026-118.557 119.375 -35.549 157.437 -14.446 92.536 77.390 147.434 -19.172 91.046 84.536 127.484 -75.424 94.469 132.130 100.237 -99.389 91.462 108.767 130.289 -84.085 94.748 21.488 95.907-102.221 107.952 -72.430 116.433 -87.576 94.858 -17.842 141.613 -74.630 122.003-159.767 169.873 -75.506 94.901 57.220 143.006 -75.472 115.729 0.000 162.967-166.336 # 75 total E -3.87998E+02 rmsd from N 0.000 %NC 0.00 91.604 123.603 140.399 94.563 126.705-109.715 114.925 -88.022 120.163 110.451 111.392-106.657 123.182 -85.216 152.873 -91.150 109.402 -5.607 141.956 -87.805 94.408 104.745 142.446 -75.008 93.829 23.676 137.949 -69.273 116.420-140.818 119.663 -91.308 117.527-157.922 141.369 -59.707 108.920 148.644 145.184-170.044 99.216 -65.674 139.260 -77.357 93.414 42.756 157.012-151.447 114.668 -94.598 149.624-121.397 119.203-169.269 0.000 0.000 130.792-143.094 141.954 85.656 124.924-119.171 133.994 -81.114 124.291 -88.082 149.647 148.269 119.861 -10.932 117.509 118.216 94.869 115.222 0.000 0.000 126.586 -86.161 129.664 -81.296 94.430 78.261 103.324 -63.966 94.773 70.225 120.754 -90.897 96.176 -62.911 85.980 -90.264 116.085-164.412 151.516 149.939 129.143-154.944 150.606-104.024 116.269 -21.323 63.036 -95.645 122.882-167.033 156.374-162.671 119.578 102.081 129.242 -78.595 93.463 27.804 115.823 -42.582 126.301-110.280 165.164 -62.986 120.609-173.723 139.402 -84.920 133.306-103.825 139.437 122.924 126.355-168.753 104.361-102.018 118.398 179.582 172.749 -83.046 124.388 171.453 130.200-133.390 123.145 175.271 149.300 145.198 112.847 114.726 167.337-102.595 123.800 -14.552 100.463 -66.552 91.936 2.328 128.587 -75.196 123.474 -90.037 108.548 -93.776 122.456-164.890 162.861 -12.739 116.986 177.051 144.312-108.392 122.764 176.339 0.000 0.000 127.584-172.660 169.266 -42.534 92.881 117.389 96.966 -81.565 147.350 -22.706 0.000 0.000 119.692 -78.570 150.006-122.999 94.323 2.803 112.901 58.970 124.671-159.038 150.038-117.466 127.778-154.981 160.953 103.919 94.034 103.816 142.261-164.726 114.684 137.404 110.033 -64.220 119.082 -75.604 140.431 -85.205 122.271-151.699 136.508-101.576 92.981 104.243 130.742 -66.722 94.576 51.833 100.057 -75.524 116.034 177.116 174.925 163.735 93.801 76.576 142.171 -76.939 93.113 90.809 140.724 -73.165 122.460-116.759 126.967-110.247 118.203 0.000 147.182-156.247 # 76 total E -3.87617E+02 rmsd from N 0.000 %NC 0.00 91.552 61.412 136.397 -74.645 124.449 -81.139 132.687 -90.428 117.998-135.794 119.402-118.065 129.488-153.792 154.004-100.458 124.992-146.217 170.446 -73.429 129.749 -71.864 143.883-107.928 125.762 -67.523 141.079 -87.661 136.876-164.117 136.875 -31.930 125.149-127.789 116.570 -55.765 121.748-130.702 171.216 146.395 128.369 167.525 170.451 -40.617 93.591 56.834 141.812-120.059 110.154 159.550 147.635-116.809 127.255 29.301 0.000 0.000 128.504-148.195 169.056-164.262 126.768 -68.104 138.620-110.864 118.297-158.018 173.313-134.940 129.468-145.464 112.684 115.264 130.220-177.409 0.000 0.000 93.255 78.956 111.763 44.472 93.718 132.026 126.120-120.560 93.748 65.392 138.555 -75.703 95.298 73.992 141.336 -75.942 92.848 -78.384 122.581 -58.264 91.414 -38.097 130.511 -77.583 122.273-156.029 170.103 -78.479 124.756-167.986 72.105 -79.735 125.868-149.137 147.195 -81.752 125.650-144.369 145.414 116.351 128.758 -70.220 139.047 -91.889 129.186-143.422 163.182 -88.954 126.861-149.306 149.335-140.381 118.863 102.779 146.026 -35.233 90.978 -18.640 129.584 -76.529 95.324 -66.354 168.293-177.382 111.729-175.572 141.375-145.988 128.531-166.354 138.368 52.377 127.187 -73.519 129.048 -78.439 111.712-154.612 135.723 -50.654 135.549 131.037 138.277-139.506 92.325 -18.317 139.285-115.501 95.089 122.863 145.036-102.874 143.133 -72.396 0.000 0.000 122.616-168.742 175.747 -64.864 94.016 -43.638 96.350 -80.825 128.753 -28.452 0.000 0.000 128.499-153.111 114.263 -75.927 117.344 -30.156 120.210-110.584 94.853 140.083 162.211 -33.516 93.315 91.622 128.484-154.760 93.705 0.020 144.397-146.949 94.764 -82.042 146.830-108.728 125.743-166.895 146.884 -62.092 123.730 58.438 95.729 -77.458 116.669-132.240 161.616 -70.483 127.200-169.972 130.356-104.673 131.110-136.263 163.555 38.593 125.117-117.984 155.578 69.592 124.319-164.419 148.060-130.950 127.798-119.880 137.738 -91.777 118.241 0.000 146.392-168.948 # 77 total E -3.87136E+02 rmsd from N 0.000 %NC 0.00 91.565 57.990 126.683 -60.805 129.587 -91.331 173.442 -91.841 116.139 -97.459 142.506-156.388 91.401 54.711 159.904 -77.573 93.067 46.516 136.089 -72.151 94.327 78.811 170.735 -71.154 93.757 31.134 139.301 -72.591 120.984 -40.568 166.169 11.411 109.699 -81.990 124.286 56.376 117.115-178.703 165.385-173.892 93.250 73.867 141.923 -71.661 93.263 78.142 134.239-113.868 111.072 165.069 138.939-116.038 94.794 127.452 0.000 0.000 93.554 89.221 137.549 -92.406 122.326-134.139 133.849 -99.824 92.729 73.908 150.383 -42.316 122.612-100.917 125.563 112.347 116.264-177.765 0.000 0.000 126.435-163.828 154.353 -57.335 121.088-179.491 159.068 1.575 93.492 91.901 145.808 -78.013 93.428 43.274 136.498 -72.929 91.737 58.986 151.817-139.341 91.079 72.835 129.183 -78.121 92.847 66.343 167.976-108.149 93.051-101.444 140.666-135.863 112.247 118.205 138.725 -80.158 93.145 47.308 92.186 -70.835 131.515 -92.368 135.076 -75.118 125.835-148.547 148.764 -81.900 128.107-159.179 144.321 3.368 122.685 -79.068 103.014 -38.085 121.921-158.091 147.428 -81.369 128.413 -95.469 148.921-166.028 125.539 -73.915 92.619 74.425 122.238-169.680 124.630 -0.713 112.587 41.242 104.820 -64.149 128.347 170.889 152.216 -81.066 116.924-173.081 130.267-148.549 115.383 168.059 126.407 -83.611 114.252 -65.412 170.136 -23.871 123.512 -29.793 0.000 0.000 94.678 99.033 136.812-112.235 121.982-162.538 144.008 -20.722 124.090 177.330 0.000 0.000 124.254-146.703 163.873-177.980 116.585 -47.428 128.771 69.321 124.736-101.381 176.467 -69.000 129.026-167.060 133.207 115.283 93.783 70.107 156.332 -19.004 92.658 -53.080 142.765 -95.089 109.162 166.361 148.106 -89.304 128.777 163.245 154.277 -5.678 92.568 72.490 135.829-103.008 128.369-134.847 119.098 -88.538 118.337-155.165 132.769 -67.693 95.092 55.927 115.648-141.269 129.332-102.013 170.118-103.154 126.128 -92.343 165.786 -38.179 116.946 0.000 133.371 -89.324 # 78 total E -3.86737E+02 rmsd from N 0.000 %NC 0.00 126.079-129.735 149.383 -80.193 125.658-155.808 129.779 -90.702 93.596 68.373 102.211 -83.109 117.940 -70.627 147.959 -97.309 125.954-164.437 166.655 -30.012 109.149 -39.628 139.012 41.921 112.755-155.047 139.820-104.374 134.625 -96.178 149.039 -28.045 93.138 12.279 86.081 -74.709 93.411 80.956 147.289 114.628 126.725 150.626 170.068 -39.069 93.499 72.065 131.758-100.567 93.776 93.767 136.563-109.598 117.114 -31.629 0.000 0.000 128.191 -52.555 165.450 -97.142 128.363-149.157 173.400 -53.695 122.931-170.105 146.628-126.630 115.885 -10.220 116.624-116.376 127.875 -83.279 0.000 0.000 93.208 76.763 121.053 -39.005 94.328 84.893 140.604 -74.176 94.210 -4.731 157.900 -66.863 112.398 -96.641 171.136-137.021 130.618 -80.394 136.940 50.640 92.294 -17.179 129.597 -77.197 112.110 149.273 164.356-116.453 93.972 42.705 149.235-126.185 115.946 150.182 160.093-108.367 93.066 94.242 110.252 -49.759 128.801 -4.150 170.083 -71.967 91.821 -4.939 129.486 -75.887 125.034 -87.610 127.308 -77.410 115.599-168.987 123.005 -76.078 120.994 109.047 175.470 -77.407 128.414-102.119 99.753-100.995 108.638 -37.933 101.425 -35.085 92.016 125.521 108.235 45.676 110.432 136.165 127.624-142.066 91.943 86.514 130.244 -76.074 110.397 142.301 116.260 -82.877 93.403 79.047 139.446 -97.176 125.456-132.350 119.320 -94.872 129.421-126.245 0.000 0.000 123.766 -94.342 113.931 -75.877 93.351 20.384 97.540 -79.296 134.059 -65.766 0.000 0.000 120.011-176.971 168.180-125.063 127.034 -55.051 164.409 7.070 117.501-163.259 95.452 -84.367 125.140 113.767 126.449-134.688 119.698-106.770 166.050 -7.133 93.401 123.312 105.639 -60.880 91.891 -9.523 131.834 -78.599 97.889 -78.881 109.091-139.082 94.700 -21.118 133.556 -70.203 95.444 98.877 165.408 8.942 93.081 115.360 128.639-134.611 93.107 71.348 107.201 -81.570 92.660 79.423 140.779 -72.705 94.448 83.308 100.950-101.520 117.817 0.000 134.547-147.279 # 79 total E -3.86002E+02 rmsd from N 0.000 %NC 0.00 91.584 62.833 155.342 20.538 132.306 -96.444 151.331 -84.431 110.657 18.639 137.935-151.192 91.832 88.548 130.820 -76.829 117.116 -95.729 168.107 -89.701 130.788-165.878 136.589 -90.486 94.638 48.700 141.594 -73.751 115.492-168.935 126.852 -41.881 125.663-151.142 106.878 -59.792 125.605-165.599 154.144-125.300 100.547 164.922 142.085 -73.590 112.882 -40.815 159.816-160.089 92.199 -16.248 158.064 -44.039 122.024 -13.277 0.000 0.000 131.453-103.977 124.052 -67.132 125.444 171.838 121.444 -77.763 92.330 62.509 134.527-150.306 112.891 155.587 119.757-117.668 137.286-110.630 0.000 0.000 128.326-117.924 155.265 131.696 128.059 -71.041 128.712-107.092 125.821-159.185 158.450 162.841 134.219 160.084 154.383 44.172 92.374 69.336 123.558 -71.289 91.555 83.433 164.599 -96.326 92.062 79.819 141.536-124.566 92.489 11.923 146.697 -27.379 102.334 -86.524 130.494 -77.045 126.057-152.909 142.993 -12.745 131.527 -59.229 139.971 -72.074 125.085-172.907 142.620 -78.005 92.623 81.964 155.091 145.810 93.630 13.999 135.936 -71.949 92.403-100.149 127.638 -75.902 108.331 148.673 168.140-161.086 93.406 105.802 134.931 144.021 91.797 -22.151 145.829 -10.742 104.729 -97.431 121.402 -22.992 120.026-174.690 143.158-131.454 101.757 -59.297 139.235-100.480 92.213 -60.966 143.895-107.646 94.131 176.741 145.073-107.702 144.380-116.271 0.000 0.000 125.959 -86.731 106.563 -75.467 93.226 68.539 98.220 -77.307 94.580 97.070 0.000 0.000 117.245 -99.069 168.510-126.899 93.866 75.372 149.157-101.280 94.455 88.680 159.988 -51.750 129.506 -96.007 84.861 -90.508 118.158-177.193 157.723 -12.444 92.842 72.824 146.375 -31.690 91.540 85.566 129.129 -76.045 94.393 89.805 142.055 -73.868 118.613-113.337 140.853 -73.787 125.901 -91.030 136.556-103.090 127.253-163.811 160.885 6.655 126.254-165.950 126.174 -63.113 119.679-177.042 169.360 -88.556 126.992-115.716 137.277-129.027 117.859 0.000 149.894-144.815 # 80 total E -3.85533E+02 rmsd from N 0.000 %NC 0.00 91.581 46.791 118.951 -75.601 128.008-173.076 122.292 -92.968 93.834 80.665 100.672 -81.387 92.170 -29.512 130.183 -77.135 118.813-116.887 167.177 -75.037 93.868 59.743 144.687 -73.800 94.201 113.626 147.075 -76.984 93.291 53.444 124.276 146.954 107.829-135.539 105.809 -57.712 120.983 -80.187 169.017 157.826 116.677 -28.614 129.704 -79.827 106.209 172.309 121.557 -87.734 121.341 -41.061 151.496-172.143 94.391 89.117 0.000 0.000 92.973 141.661 110.797-102.067 95.001 64.978 116.212 -95.731 92.400 102.235 141.857 171.965 91.366 -9.230 128.076 -72.860 103.839 -74.200 0.000 0.000 120.112-164.260 132.518 30.686 127.510-130.076 118.521 -51.683 120.435 -78.494 133.702-102.137 95.747 94.532 123.085 -76.367 129.912-146.602 109.558 -57.822 128.092-138.802 148.351 -95.076 123.348 -83.881 171.904 -79.685 119.598-173.520 118.249 -85.188 122.578 114.882 168.111 -97.793 123.039-114.062 119.900 51.120 130.721-105.058 174.862 -48.299 122.282 -92.991 141.528 -89.246 93.274 38.698 145.046 55.678 93.703 70.641 132.787 -57.732 116.077 146.176 135.954 -97.973 122.567 169.022 142.781-140.427 125.653-172.864 160.919 -10.648 107.946 29.077 151.655 160.921 111.972 80.714 138.750 131.317 109.459 -46.508 147.606 -67.318 94.154 177.178 121.871-125.459 124.408 -72.573 160.713 -18.231 95.513 -17.065 153.427-107.000 96.562 105.708 0.000 0.000 92.261 92.503 99.524 -50.992 117.137-104.227 88.809 -86.721 114.167-173.150 0.000 0.000 125.460-169.301 162.162-144.861 128.629 -67.083 164.187 25.235 93.964 -17.162 128.637-102.422 93.979 95.767 161.771 40.337 120.689-169.916 158.062 -25.091 93.768 -62.205 145.197 -11.728 91.888 -24.185 129.595 -76.403 96.070 83.486 141.780 -72.927 126.491-109.806 141.748 96.071 133.124-146.054 174.245 -33.441 119.110 -86.824 139.764-108.010 116.959 142.894 168.205 -20.750 93.538 89.626 145.036 -75.786 95.197 67.915 102.841-100.689 117.353 0.000 139.745-163.018 # 81 total E -3.84414E+02 rmsd from N 0.000 %NC 0.00 91.601 -1.569 122.251 -82.096 137.468-113.621 176.465 -63.429 130.918 105.550 141.581-144.246 91.700 -21.569 131.096 -75.158 95.811 -65.625 107.954 -69.664 111.442-149.601 134.121 -56.399 93.575 86.123 140.523-110.113 92.666 58.416 126.882-128.609 91.802 149.559 87.869 78.241 91.981 78.878 140.202-131.833 92.497 70.464 139.181 -70.901 114.119-112.101 102.625 -82.566 94.006 126.089 165.582 -45.201 127.334 -18.487 0.000 0.000 118.295-102.314 167.106 -77.642 130.851-159.219 163.942 -26.698 110.521 -91.821 145.488 -31.287 93.131 25.926 115.268-102.936 95.879 90.466 0.000 0.000 130.378 -58.200 130.489 -44.578 131.172 -6.080 164.766 -54.492 128.651-119.791 131.680-115.324 96.443 115.528 132.525 -99.034 93.063 -3.664 139.613 -77.173 111.146-155.622 158.308 -86.170 130.119-166.464 170.917 -70.169 135.793-145.260 176.428 172.492 121.416-112.336 142.537 -83.492 93.282 39.075 176.452 -76.913 96.229 86.958 128.148 -91.515 143.497-153.116 146.357 -75.990 105.473 -60.292 142.385 -68.384 94.976 -23.166 118.125-140.955 92.300 88.059 129.708 -76.629 136.699 -90.453 120.548 98.786 128.188 -48.939 153.384 162.777 91.926 -27.351 149.711-100.711 108.666 79.923 109.241-150.293 135.177-133.634 151.548 -56.545 94.422 100.671 130.389 173.954 118.912-112.779 151.164 -42.778 94.341 30.705 172.796 -25.515 120.255-173.144 0.000 0.000 128.209-172.106 147.726 -80.931 114.324 177.567 142.873 -20.725 131.469 175.461 0.000 0.000 119.263-167.648 134.366-106.886 134.399-172.246 116.553 -83.771 94.170 114.319 135.770-119.458 119.017 34.357 103.949 -86.265 94.055 -45.681 120.890 -87.348 121.222-163.351 148.665 -15.294 134.243 156.780 157.960 -79.743 94.060 15.050 142.335 -73.647 106.983 -93.319 121.552 -88.196 122.667-143.561 173.327 -56.764 137.779 -91.153 166.445 136.225 124.874 -97.432 98.243 -59.332 118.767-164.801 163.789-164.962 126.058-102.035 176.428 -90.759 119.045 0.000 129.066-153.629 # 82 total E -3.84248E+02 rmsd from N 0.000 %NC 0.00 125.953-132.129 151.642 -86.025 127.999-155.881 128.686 -64.029 93.872 52.392 123.201-119.807 139.464 -83.385 176.438 -76.858 128.103 -55.989 169.206 -85.484 125.320-161.496 141.388-111.252 95.956 25.060 144.550 -80.016 112.799-155.554 118.825-137.425 121.306 -94.297 133.568 -36.252 92.098 13.298 150.732 -74.171 95.371 74.848 140.544 -73.187 129.122 173.691 170.555 170.103 109.392 -94.343 153.321-125.944 95.759 14.688 0.000 0.000 93.670 75.409 135.195 -79.338 94.656 142.128 168.385-107.129 91.982 29.442 130.992 -79.582 111.844-159.489 118.977-114.021 131.810 166.985 0.000 0.000 92.942 78.667 117.675 -33.786 126.234-105.167 113.304 -82.977 94.679 95.601 141.012 -95.069 94.711 92.651 136.758 -69.192 123.844-145.389 130.614 -55.839 116.041 -44.956 120.858-125.482 123.703 -97.637 166.836 -85.480 94.039 102.471 142.373-125.086 132.838-100.986 154.484 -86.556 115.203 105.291 132.431 2.518 124.842 -98.977 133.943-115.269 135.368-163.131 125.119 -66.364 93.483 20.501 121.344-110.964 122.729-147.048 140.578 44.466 121.260-102.844 130.225-111.750 131.193-122.909 176.436 18.625 126.570 -56.674 90.948 -62.976 120.516-140.448 126.441 -53.008 105.726 129.326 95.601-177.325 91.766 87.394 125.832 -74.554 93.891 18.522 135.420 174.525 110.650 -73.439 158.101 -26.499 111.386 95.646 154.454 -63.524 149.640 -10.162 0.000 0.000 122.841 115.926 109.471 -84.057 90.609 -44.913 144.286 16.192 95.150 -44.336 0.000 0.000 115.160 177.296 123.892 -77.689 126.763 166.901 122.286-113.804 94.700 70.304 132.692 -91.342 126.671 -90.068 83.271 -96.825 113.499-171.524 156.385-172.104 93.419 86.731 148.788 -16.571 92.362 -52.773 129.607 -76.768 96.394 97.190 115.747 -45.228 93.209 44.432 158.789 103.390 96.452 76.692 144.725 -76.523 128.397 -98.326 136.210 -73.705 94.284 85.545 142.343 -74.999 93.146 72.576 142.348 -74.389 94.863 87.072 101.786-118.990 117.977 0.000 131.672-148.056 # 83 total E -3.84208E+02 rmsd from N 0.000 %NC 0.00 91.611 109.296 132.537 -78.744 125.306 -94.025 136.028 -91.009 124.487 114.600 111.367-104.427 126.986 -90.249 140.531 -99.266 125.032-152.865 170.472 -63.187 129.713-176.401 173.732 -65.299 122.721-153.947 164.815 -43.266 121.092 -65.917 134.621 142.614 91.795 -25.122 105.546 57.620 92.639 94.671 162.604-114.364 128.939-135.617 131.529 -93.082 124.762-113.377 138.612 -92.717 101.251 -69.058 83.548-133.859 112.422 -30.276 0.000 0.000 92.557 97.727 139.241 -96.260 94.867 95.039 118.572 -72.428 92.510 -57.608 152.080 7.269 124.766-156.245 130.419-113.373 134.831-105.760 0.000 0.000 126.146 -98.695 140.722 -4.479 127.081-152.314 134.952 -83.515 125.322-152.615 165.294 -75.623 127.710 -84.924 140.191 -66.448 128.000-132.624 172.897 -22.548 92.380 -44.008 126.738 -74.986 121.680-157.139 136.878 -79.668 93.025 85.742 134.843 -23.838 91.596 36.131 127.652 -76.301 127.042 -85.515 130.658-103.426 124.518-172.059 119.247 -45.575 121.064 168.882 136.227 -93.406 119.890 151.998 149.805-147.198 93.060 83.887 145.541-135.002 92.007 78.112 129.887 -76.381 116.740 -83.553 147.620-120.724 109.309 -37.382 125.780-127.881 92.214-178.869 137.465 -80.585 131.415 -83.715 122.282 -33.301 91.072 89.614 133.365 -77.805 92.368 71.491 149.081 -31.470 91.629 40.855 148.252-109.671 103.206-157.492 101.226 -97.441 132.811 168.274 0.000 0.000 128.552 -70.305 173.583 -82.997 93.926 47.240 130.532 -34.051 94.886 35.462 0.000 0.000 106.187 -62.396 171.786-125.413 132.095 82.192 176.463 79.840 94.783 95.758 142.638 -71.529 112.550 122.009 131.834 154.837 92.692 -23.482 149.432 15.260 93.212 -60.909 147.228 3.149 108.147 -23.224 144.757 -85.602 94.171 96.633 148.830-117.678 92.225 62.827 131.651 -60.447 94.061 88.267 79.370 -89.988 92.786 82.965 142.499 -99.612 97.787 -77.095 80.906 -74.416 122.449-154.177 117.308 -95.316 129.591-119.527 154.680 179.428 118.192 0.000 146.884-164.186 # 84 total E -3.83678E+02 rmsd from N 0.000 %NC 0.00 91.599 -0.339 131.824 -99.363 131.031-134.822 137.168 -79.638 112.640-172.374 99.049 -81.106 138.094-176.801 146.145 -93.780 93.028 89.557 126.205 -95.316 129.778 -87.062 113.909 -71.141 132.362 -13.769 175.419 -90.817 133.406-120.835 154.001-175.733 122.702 72.635 62.362-103.698 107.369 -49.088 155.556-153.345 93.361 104.047 140.148 -70.920 93.209 44.187 121.141-101.114 112.925 -97.988 90.510 -88.826 116.638 -59.642 0.000 0.000 110.400 172.247 130.666 107.577 124.498 52.620 129.950-127.543 92.148 -61.598 145.466 -55.321 93.339 -16.885 108.319-109.999 95.591 105.660 0.000 0.000 126.017 -97.822 150.668 9.650 129.588 -82.802 133.545 -70.804 130.665-165.593 122.158 -65.103 116.855-134.418 135.703 -94.684 127.796-105.563 166.501 -19.120 91.415 37.669 130.592 -77.599 92.618 50.689 143.769 -78.655 91.560 51.919 149.149 -14.190 91.158 43.489 128.188 -76.663 92.419 59.700 109.853 -51.468 95.241 -28.612 164.098 -81.128 128.220-147.133 143.146 -78.648 91.722 70.905 152.342 57.979 91.865 83.852 136.775 -95.959 91.010 72.755 129.918 -77.180 93.327 82.977 157.052 2.446 92.768 -30.461 145.412-155.388 118.351-163.515 138.701 -36.507 131.723 -88.273 135.265-118.002 125.013-163.774 140.917 -72.322 123.332 177.140 170.233 -22.050 119.993-175.356 126.662 -86.328 119.927-175.423 172.333 -18.417 135.720 -79.844 0.000 0.000 124.534-169.090 142.702 -98.008 119.453-178.685 102.794 -80.950 120.908 33.587 0.000 0.000 121.986-163.930 166.805-116.735 119.294 172.883 176.464 148.234 94.865 59.163 138.946 -75.446 123.980 -58.243 147.438-126.240 123.119 176.820 118.172 -87.795 94.909 -64.055 111.018 -59.583 91.067 66.439 129.619 -76.257 123.370 -86.950 109.079 -56.204 110.022 -11.697 148.121 -92.555 110.352 -90.114 90.820 -81.018 92.165 56.188 93.174 -78.777 96.534 75.715 163.593 -99.798 122.163 178.557 171.305 -53.464 126.671-110.151 130.120 -96.612 118.661 0.000 137.712-155.321 # 85 total E -3.83205E+02 rmsd from N 0.000 %NC 0.00 91.606 3.415 157.190 -27.361 127.316 -93.604 130.257 -92.360 120.258 32.607 110.418-105.762 109.631 -53.242 144.858 -91.838 122.574-164.663 149.459 -92.011 123.427 172.184 158.477 -24.483 94.309 65.231 140.456 -76.521 130.575-106.765 130.771 123.835 124.486-149.493 100.275 -66.726 120.355-100.589 143.079-102.100 122.591 171.241 129.713 -84.640 129.380 174.231 134.949-100.460 114.457 175.378 126.921 -80.407 125.250 167.096 0.000 0.000 122.432-151.443 146.982 -73.027 122.102-149.344 127.230 -85.224 122.133 -81.765 148.183 147.569 93.467 -6.375 108.139-119.853 95.330 92.361 0.000 0.000 119.033-169.621 144.808 -45.793 95.777 52.599 95.272 -71.247 123.000 -67.613 144.957 90.967 121.813 168.408 120.934-123.202 92.212 69.359 128.010 -64.527 91.168 81.282 132.628 -78.756 92.753 55.964 139.294 -76.819 92.764 83.551 95.092 -79.001 116.105 -71.913 122.618-100.776 93.474 89.242 114.850 -40.447 128.988-116.859 120.952 -89.102 130.143 -95.014 148.889 -85.825 125.161-136.136 132.628 14.214 119.896 -72.107 157.806-120.066 133.417-171.210 130.189 -79.303 121.057-162.424 154.798 179.182 118.740 -42.467 91.963 -82.299 119.342-150.295 136.628-121.790 111.079 32.364 153.752-168.165 91.532-173.490 126.682 -39.724 92.228 75.320 170.938 -25.726 91.492 19.636 158.123 -20.343 104.338-104.661 110.641 -92.987 95.445 166.833 0.000 0.000 128.554-167.810 103.421 -53.272 93.839 167.042 101.103 -77.516 128.237 33.628 0.000 0.000 130.957-102.129 92.270 -89.254 92.814 142.706 117.534-138.523 94.803 84.112 86.947 -76.595 98.757 4.577 160.362 168.812 92.788 -86.550 141.716-135.657 117.492 156.173 136.735 -37.492 91.211 86.224 175.536 -89.518 94.289 94.757 121.423-116.035 91.895 -21.132 122.292 -63.312 119.014-136.937 165.426 -65.540 126.951 168.539 159.924 130.665 116.985 165.619 167.650 -50.769 116.497 110.907 163.967-155.397 95.026 61.446 140.512 -74.455 117.199 0.000 139.359-171.468 # 86 total E -3.82904E+02 rmsd from N 0.000 %NC 0.00 126.149-129.157 149.514 -78.522 126.055 -78.935 133.758 -90.480 117.958-140.470 121.363-120.950 126.823-178.185 153.655 -90.469 117.203 103.692 167.206 -99.578 121.586 -66.348 163.412 -0.089 114.691-161.439 124.996 -56.812 137.136 -93.198 141.552-166.882 125.664 -21.862 148.561 -81.667 117.731-133.467 137.487 -94.735 123.778-179.420 167.097 -62.039 93.963 36.388 152.166-145.676 121.465 -97.574 163.238-137.288 118.047 -28.831 0.000 0.000 111.705 139.523 140.418 -78.924 94.522 -4.444 121.450-119.737 103.705 -84.829 175.537-168.907 118.552-154.629 124.528-112.475 135.219 -98.336 0.000 0.000 125.419 -67.534 148.896 -89.210 93.776 73.543 140.242 -76.691 93.571 143.478 107.154-124.782 95.076 55.181 119.592-120.861 93.501 150.898 92.815 -36.369 91.709 83.884 121.407-111.878 126.909-168.436 167.095 -36.719 113.826 -70.355 148.234 10.126 92.655 -17.119 129.475 -76.259 94.093 100.236 150.579 -75.476 94.867 167.707 146.278 -71.983 91.698 -61.295 130.888 -79.591 91.791 18.040 115.878-100.199 121.359 -56.745 116.072-113.132 120.791-125.696 157.816 -89.145 130.680-134.392 169.757 23.768 125.553 -56.219 163.917-128.614 119.883-138.430 122.822 -23.698 128.161 160.646 141.556-163.671 91.903 81.981 129.314 -74.085 115.650 153.700 118.808 -77.282 118.065-118.361 121.051 -84.426 118.987 -86.264 162.498-161.760 122.465-172.975 0.000 0.000 122.265 173.393 139.148-108.828 93.424 -16.062 97.889 -80.133 116.237-132.653 0.000 0.000 127.234-178.946 169.534 -84.003 106.385 -30.496 176.488 169.661 107.272-151.918 142.282-106.040 133.360 -98.128 154.987 -4.088 120.073-151.897 160.764-162.124 92.740 59.735 141.911 -22.033 91.229 83.179 131.210 -76.675 93.461 65.840 139.132 -73.328 93.009 155.026 127.588 -69.024 128.545 145.386 145.411-121.303 127.647 -38.362 157.306 91.949 128.141-124.457 175.680 -72.961 127.574-152.347 167.754 -71.090 127.548-113.257 136.316 -99.440 118.411 0.000 141.469-157.506 # 87 total E -3.82111E+02 rmsd from N 0.000 %NC 0.00 126.145-130.609 147.694 -81.500 126.293 -95.121 132.803 -92.244 128.071 28.853 115.878-106.217 91.784 -65.139 131.309 -78.193 100.500 -35.221 166.375-102.394 93.896 106.147 140.888 -75.008 94.273 80.114 145.264 -75.602 93.830 116.306 110.435 -40.600 108.693-125.667 69.919 -83.678 114.912 -1.162 152.680-171.575 126.988-136.102 165.202 -74.160 124.290-147.241 171.166-162.378 111.305 -56.964 166.520 0.276 112.509-165.869 0.000 0.000 93.546 88.451 139.575 -98.198 119.801-107.652 135.477 -87.545 122.805 172.330 162.595 166.208 101.645 -54.846 111.769-121.702 93.436 21.392 0.000 0.000 125.404 -94.648 139.958 4.219 126.686-139.962 151.994-103.331 129.113 -57.530 155.485 29.312 126.623-142.447 166.892 -82.316 112.265 -18.512 150.834 -86.484 120.191-144.857 144.195 -81.342 118.255 0.363 152.994-121.944 128.105-117.132 158.806 -6.056 134.076-146.166 151.561 -92.188 121.099 -88.396 142.775 -48.778 126.840-143.162 158.811 -43.394 129.343 -85.426 159.621 -85.729 126.074-148.858 154.362 -72.827 127.028 -93.006 118.611 -76.373 126.914-155.527 149.125 -81.187 130.305 -94.048 148.277 150.319 125.922-145.678 138.601-129.631 127.163-105.616 131.498 -52.221 93.168 54.743 124.019 -15.415 91.209 73.478 128.158 -76.125 93.165 65.757 131.840-162.979 92.718 132.295 151.820 -6.203 111.849 139.141 142.861-137.908 123.430 -10.135 0.000 0.000 116.821 -83.891 165.824-116.234 93.249 -13.938 139.465 -15.826 119.593-170.707 0.000 0.000 120.371-158.284 140.154-124.589 127.234-149.610 102.632 -64.540 128.964-105.537 138.470-127.802 94.433 115.232 145.205 136.666 93.578 -4.573 157.786 5.010 93.985 -82.208 134.257 25.172 92.482 -4.505 129.607 -76.362 96.360 106.508 140.212 -72.643 93.356 66.660 153.174 -63.071 116.386-153.657 99.710-127.550 129.492-161.589 119.696 -73.695 94.855 61.393 131.949-118.688 126.546-126.381 173.704 -63.742 125.859 -84.696 169.201 -78.008 118.825 0.000 118.832-131.968 # 88 total E -3.81064E+02 rmsd from N 0.000 %NC 0.00 125.771-122.254 160.809 -86.194 126.255 -85.777 171.589 -63.365 116.505 -89.576 134.275-142.329 111.719 60.943 154.441 -86.626 124.179 -49.092 163.315 -66.686 126.828-138.499 111.667 -58.943 119.816-150.615 142.132-129.147 123.030 -21.766 175.867 18.093 95.339-173.313 109.650 40.627 115.511-170.666 144.630 128.815 118.857 0.471 98.815-111.408 129.663-118.185 131.849 -90.715 118.636 -42.217 165.638-174.407 95.223 129.940 0.000 0.000 121.415 -97.586 147.852 -98.468 126.566-176.278 140.316 -96.193 116.385 104.518 155.487 -20.674 122.855-114.970 110.439-120.522 137.316-102.394 0.000 0.000 126.772-103.858 137.964 -29.567 94.077 69.578 141.566 -76.809 93.408 91.635 127.212 -93.043 94.022 72.834 140.795 -70.830 92.918 141.474 133.266 -73.751 118.662 -92.585 159.367 -93.673 94.821 16.797 168.232-110.453 94.289 73.526 100.783 -82.065 91.619 129.457 130.800 -75.212 92.113 43.364 113.407 -44.627 121.158-122.360 121.038 -64.056 119.220 169.220 140.261 -71.361 92.760 72.987 145.936-160.388 93.281 114.037 135.346 -50.737 118.657-126.628 157.946 -80.403 128.058 -88.322 158.465 15.914 122.697 -81.189 112.122 -93.905 127.465 -77.561 136.489 125.294 145.497-156.255 143.566 151.862 91.287 68.560 124.379-124.237 122.725 -68.869 145.853 61.405 94.035 92.250 163.199 -9.860 120.720 -28.159 173.103 -9.385 121.650-142.435 0.000 0.000 124.979 -75.003 103.825 -72.656 93.848 -31.358 143.599 -9.408 135.586 -20.033 0.000 0.000 120.160 -17.433 130.875 -93.308 112.013 94.452 174.659 11.365 95.111 127.285 109.455 -91.943 111.381 -10.304 89.968 -98.595 109.226-122.497 149.134 -24.266 92.239 83.566 122.745 -17.590 91.090 60.991 128.911 -76.748 109.575 -71.719 78.687 -75.607 108.550-155.758 129.229-112.219 130.179-149.694 176.322 -57.282 128.949 -77.810 101.405 -97.762 122.514-158.706 123.460 -62.247 119.725-177.432 166.023-110.963 127.045-116.592 140.579-127.330 117.824 0.000 149.285-148.841 # 89 total E -3.80869E+02 rmsd from N 0.000 %NC 0.00 126.124-132.520 143.941 -74.710 126.928 -87.853 126.061 -84.525 115.756 -70.106 126.363-129.422 91.691 81.267 153.935 -86.809 121.710-100.663 168.097 -80.195 126.652-157.571 137.399 -73.127 125.019-146.058 167.203 -71.392 129.039 -31.492 144.758 144.293 93.494 133.297 87.869 -85.904 121.444 -94.497 154.025-122.854 126.200-162.149 167.978 -62.581 122.149-159.629 168.314-151.204 120.771-163.656 146.758-118.798 140.140-104.109 0.000 0.000 126.630-128.437 166.068 -69.306 93.580 74.506 106.032 -57.244 92.337 72.143 123.348 -79.167 93.634 71.186 135.059-102.943 131.675 -22.240 0.000 0.000 124.589 -96.733 134.094 -30.064 94.270 72.531 114.345 -60.271 112.662 150.431 139.978-119.106 96.004 82.784 141.892 -82.246 122.027-167.645 165.990-155.308 127.278-158.741 148.998 -86.720 113.392 -63.339 162.909-136.633 93.819 -20.664 139.544-136.023 92.728 90.594 130.033 -76.368 129.600-127.455 143.389 -25.353 125.028-140.618 120.830 -47.018 90.949 60.708 130.183 -77.307 92.086 94.188 155.640 159.228 91.935 60.153 128.915 54.068 91.169 142.058 128.644 -75.410 93.291 54.307 127.665-137.440 92.604 64.775 129.752-140.158 91.888 68.465 137.359-117.672 116.330 164.577 130.044-133.904 91.408 71.680 129.267 -75.844 93.737 111.315 131.162-157.514 92.757 107.875 149.005-107.713 102.963 -93.287 141.271-110.800 133.055-106.124 0.000 0.000 131.034 -99.019 104.427 -64.592 113.248 -59.045 105.364 -76.730 95.173 89.150 0.000 0.000 115.942 -49.184 134.612 -92.828 119.269 65.822 93.726 -56.819 95.497-158.792 147.227 -77.745 128.506 -75.669 150.513 147.278 93.249 -11.881 137.056 159.045 94.206 91.480 145.336-109.998 135.421-155.154 160.994 -71.574 122.713 -77.311 112.717 -94.582 94.129 -42.077 135.337 89.535 126.309-168.170 143.180 -88.311 122.848 -45.478 143.367 86.288 128.748-127.083 170.763 -61.974 123.637-144.778 138.896 -84.862 95.343 53.606 130.168-167.041 116.154 0.000 148.885 126.113 # 90 total E -3.80033E+02 rmsd from N 0.000 %NC 0.00 125.070-100.794 154.588 -94.614 95.491 89.479 121.138 -89.247 115.236 69.937 120.081-119.705 92.299-130.992 133.423 -80.111 93.390 55.657 169.611-114.924 93.422 84.340 145.302 -70.268 91.978 -2.084 138.274 -78.299 111.917-148.037 67.881-102.198 93.061 92.742 175.942 -25.020 92.681 74.115 163.523 -3.263 93.379 67.565 143.433 -65.061 106.933-105.985 142.385-121.280 94.734 145.081 139.839-108.062 117.148 150.517 0.000 0.000 93.576 105.943 135.416 108.611 126.129 -89.194 170.876 -78.224 92.304 58.004 125.560-109.536 93.190 36.866 110.381-121.146 94.618 73.590 0.000 0.000 99.060 -97.978 131.335 -72.661 94.457 104.325 165.915 9.986 93.599 64.580 134.142 -97.721 94.635 154.243 112.816 -53.063 115.417 171.943 85.422 -46.618 91.261 87.472 131.917 -77.914 114.178 150.845 122.515-123.682 93.326 79.896 103.152 -73.927 91.532 -43.933 127.874 -75.520 121.841-175.283 68.944 83.975 97.111 46.020 146.740 -74.859 92.736 163.425 131.120 -73.016 92.713 89.081 138.171 1.621 93.264 -2.845 125.859 36.546 92.683 -87.582 130.750 -77.605 116.573 178.076 162.845 17.407 129.743-141.007 119.005 -50.019 121.283 -75.590 138.043-100.945 114.214-161.870 138.634 18.002 132.340 179.726 146.560 -85.807 94.323 81.634 127.721-145.434 113.668 -74.739 113.890 -83.964 93.609 128.569 146.070-106.612 133.007 -55.872 0.000 0.000 93.272 79.620 120.452 -89.187 93.687 122.838 85.750 -88.144 111.104 13.318 0.000 0.000 106.138 -78.734 112.099-108.607 128.591-162.647 162.738 -24.046 118.473 171.965 94.155-101.466 114.253 37.636 127.735 135.197 93.877 72.210 150.198 -36.216 93.469 115.609 114.734 -71.977 122.053-147.390 171.565 -86.600 95.075 88.277 118.391-116.339 106.077 -55.512 115.297 -60.891 94.411 86.387 135.048-101.907 93.214 55.844 132.449-108.540 130.701 -59.028 151.299 -95.184 94.056 93.332 141.842 -72.889 95.290 92.678 98.341-110.343 118.087 0.000 128.662-137.436 # 91 total E -3.79395E+02 rmsd from N 0.000 %NC 0.00 125.630-107.823 146.674 -91.422 95.185 77.151 120.375 -91.262 109.681 166.088 102.404 -78.298 133.461-125.355 155.207 -89.003 114.985 -82.712 144.424 -65.419 126.400-143.565 129.004-111.445 124.993 -55.883 138.036-100.858 116.413 160.825 85.806 -99.365 91.739 -41.409 80.336 -69.220 91.514 -27.997 143.269 -90.639 113.526 -6.274 131.994 -84.181 119.141 -73.176 128.762 -95.149 107.911 54.042 144.062 162.977 129.736 -73.002 0.000 0.000 126.604-140.627 140.106 71.794 128.998-151.582 136.559-111.511 92.646 67.426 161.517 -14.268 112.782 -91.511 114.072 112.182 113.684-179.222 0.000 0.000 127.661-138.444 137.192 3.778 122.892 -80.935 146.030 -86.505 131.307-157.813 122.161 -75.472 122.706 -62.178 123.650-117.835 119.573 -87.174 127.927 -81.245 124.932-168.837 143.320-100.916 93.022 56.076 140.469 -78.111 92.324 89.493 146.551 -27.042 91.402 3.337 128.686 -77.427 108.444 -85.595 137.119 8.736 122.313-154.368 134.809 -94.538 126.805 -77.360 152.152 -74.212 123.789-149.645 158.212 -68.559 93.187 75.161 97.988 42.697 91.820 148.467 129.774 -75.364 122.397-140.524 176.319 168.021 130.007 -94.791 141.816-107.141 103.524 77.612 143.836-109.418 129.369 -99.087 120.932 76.711 138.867-152.897 141.236 -64.674 93.001 58.441 128.442-139.666 116.748-117.305 145.972 -46.440 94.390 135.521 145.701-106.399 129.099 159.834 0.000 0.000 113.530-177.144 167.048 175.862 120.310 -65.090 151.456 -9.677 117.346 -9.721 0.000 0.000 126.157-142.676 144.937 -80.983 106.109 152.525 133.165-145.579 95.901 72.841 138.668 -78.014 93.679 108.054 114.534-149.707 92.350 -14.469 149.322 177.552 94.530 -78.553 108.559 -75.943 123.165-173.330 147.386 -82.603 125.549 -86.509 163.837 -66.428 117.605-164.914 156.406 -81.663 126.811-165.734 165.706-145.635 127.815-159.179 157.663 2.677 122.577 -69.167 167.013-120.916 121.900-167.567 138.604 -80.052 95.177 66.093 123.823-119.400 117.600 0.000 136.117-162.303 # 92 total E -3.78680E+02 rmsd from N 0.000 %NC 0.00 124.713-103.007 163.166 2.203 95.045 86.049 121.830 -80.982 127.358 169.984 110.786-104.451 123.351-156.625 149.971 -89.382 126.521-162.286 169.148-104.031 127.047-159.797 134.677 -61.699 125.354-161.934 166.859-117.866 134.581 -81.405 158.266 168.623 127.971-135.282 120.008 -91.524 130.892-116.384 148.033-121.393 116.557 -6.076 143.844 -77.518 107.092-170.734 162.309-177.580 120.778-162.067 166.648 -26.233 93.114 33.293 0.000 0.000 119.773-122.137 160.993 -65.676 93.330 56.703 108.188 -91.275 112.889 141.345 119.149 -99.931 105.386 -67.369 156.867 -94.023 93.109 17.209 0.000 0.000 120.015 -92.499 123.291 40.368 129.063 -86.799 143.311 77.936 144.688-165.046 122.393-111.510 93.554 23.826 141.281 -76.150 99.666-176.179 154.268 145.784 141.187-152.253 115.020-107.315 121.767-135.278 171.868 -60.131 122.468 -66.700 143.361 -24.436 91.835 -9.673 129.624 -76.398 131.906 -14.514 142.537 -15.329 96.691 109.703 163.298 -85.960 115.753-155.878 152.466 -80.218 130.817-159.507 157.490 -76.197 126.018-162.069 152.692-149.366 91.718 11.672 130.128 -76.810 125.189-157.327 147.468 21.430 120.533 -55.023 76.424 -47.730 123.509-105.871 137.011 -20.363 127.215 -20.371 148.554 179.587 123.706-141.549 146.880 -75.726 122.952-158.162 155.525 -14.356 119.617-156.261 167.182-154.446 94.366 12.234 131.360-152.257 118.693-168.453 0.000 0.000 120.716 102.415 165.328-114.450 122.797-123.978 103.898 -76.917 115.092 176.759 0.000 0.000 126.294-176.368 167.170-138.876 118.631 175.141 169.245 8.958 130.749 174.099 148.738-100.671 113.056 106.515 163.779 0.026 120.907 -92.786 161.708 -23.914 92.379 66.106 149.293 -99.492 91.354 88.196 129.600 -76.142 94.389 111.131 138.319 -77.221 115.924 -86.985 140.469 -88.225 126.895-177.375 166.827 -45.701 94.084 77.518 91.385 -88.692 128.329-118.298 113.697 -85.590 119.084 177.023 139.288 -81.498 95.235 66.777 125.451-150.593 117.339 0.000 142.964-155.041 # 93 total E -3.78492E+02 rmsd from N 0.000 %NC 0.00 91.559 52.119 129.072 -93.115 123.975 -93.398 115.920 -72.611 115.779 -86.898 133.672-141.226 91.539 92.680 147.128 -93.905 93.662 15.100 139.183 -74.736 120.121-119.900 149.319 27.804 126.854 -73.927 148.280 -93.204 140.270-160.920 147.853 135.743 92.155 100.573 97.055 -63.476 92.196 120.611 125.114-111.624 110.811 -72.479 163.051 -54.690 93.965 62.853 134.587-109.803 114.207-120.263 146.896-119.490 118.131 173.450 0.000 0.000 126.949 -96.331 173.560-123.454 121.775-165.306 168.400-133.287 109.534 80.310 176.087-162.919 93.349 33.167 105.885-122.832 125.887 -28.798 0.000 0.000 118.954-170.615 139.146 -8.641 129.364 -65.914 128.042 -62.536 128.433 -16.979 110.618 -83.320 132.645 -94.500 162.842 -24.634 126.139-143.554 153.526-134.182 111.735 -13.898 143.134-113.287 122.298-150.955 98.422 -41.784 120.356-136.061 138.036 7.323 104.162 49.085 147.659 -89.915 124.642-118.580 144.782 -29.078 130.153-151.042 165.497 -29.843 123.293 -56.492 147.774 -97.162 118.214 -5.706 159.066 -73.525 121.237 -99.344 147.256 -68.311 91.148 64.993 129.538 -75.694 92.755 40.563 126.678-126.527 92.093 57.100 132.271-133.247 91.622 70.437 102.028-150.412 92.114 106.775 131.807-128.830 91.634 -25.013 129.097 -75.986 95.866 -63.747 157.886 15.464 134.642-157.477 46.885 -88.470 117.827-179.809 115.219 -84.846 124.306 35.831 0.000 0.000 128.115-157.245 136.112 -99.894 121.739-175.547 103.340 -80.419 124.417 177.700 0.000 0.000 122.964 -96.171 165.760-119.906 122.443-164.291 130.868 57.787 125.182 -54.466 162.045 -20.940 137.118-143.236 148.762 22.116 116.229 166.133 151.053 -33.696 94.658 -59.167 147.421-106.001 91.193 39.614 129.469 -76.245 117.389 -90.376 108.216 -53.485 121.281-150.150 141.914-114.670 93.478 81.700 123.714 -73.266 93.397 66.782 167.833 -0.673 110.550 -78.397 93.491 -85.124 115.307-173.717 139.774 -79.865 126.918-113.511 152.777-164.127 118.074 0.000 145.885-149.933 # 94 total E -3.78134E+02 rmsd from N 0.000 %NC 0.00 91.613 3.958 129.520 -73.313 123.106 -76.607 163.581 -93.097 118.730-164.224 115.278-111.216 127.278 -73.705 145.507 -92.939 93.704 74.532 142.406 -76.098 118.751 -60.921 97.205-108.369 111.955 166.210 159.307 -72.821 94.192 77.382 166.488 34.415 92.181 95.671 111.423 -44.485 118.104 -67.901 171.966 -13.889 132.560-165.970 144.958 -88.597 111.826-147.773 162.414 173.352 94.713 -5.357 133.110 143.687 122.723-108.212 0.000 0.000 123.246 -74.366 147.883 86.148 129.334-153.099 144.842-133.278 123.756-168.638 161.202 -14.519 120.977 -72.441 160.000-125.588 129.064-103.151 0.000 0.000 129.110 172.748 136.646 69.325 94.917 99.707 144.159 -72.998 93.423 -14.980 109.778 -76.250 94.480 -71.864 140.969 -74.656 113.862 176.731 172.432 -84.920 118.825 164.935 162.921 -97.431 94.347 67.323 164.788-122.603 111.369 -92.860 150.199-147.119 113.579 76.143 159.973 -92.890 123.577 -98.798 128.432 57.065 124.219-154.682 133.565 -94.335 126.078 -66.124 140.643 -93.567 128.910-141.493 134.388 -92.700 127.393-152.408 137.581 -62.250 121.772 -78.038 147.640 -88.396 93.599 63.574 132.293 -44.723 125.803-138.488 157.945-171.034 127.730 -90.931 144.075 -59.609 134.055-152.190 170.805 165.080 123.967 -87.968 146.600 -85.083 119.535-152.276 120.548 129.522 122.344 -66.535 120.097 -84.005 93.942 -47.601 147.228-104.983 123.693-167.481 0.000 0.000 123.025-165.426 142.367 -96.096 115.911 173.839 100.246 -81.548 137.560 -68.024 0.000 0.000 123.514-139.545 105.564 -86.806 125.029-155.837 176.518 35.101 129.050-176.395 34.221 -92.487 131.815-145.428 155.337 15.620 115.379 -50.814 157.558-167.039 117.989-162.584 152.125 -1.504 134.677 179.016 137.446 -92.866 94.005 78.157 143.520 -72.134 134.574-110.480 149.225 -99.450 125.699 171.166 176.455 -65.212 93.901 85.742 140.945-122.581 129.810 -99.551 95.451 -68.329 120.503-172.731 127.804 -84.109 95.105 80.462 128.585-140.156 106.441 0.000 102.217 -99.459 # 95 total E -3.77217E+02 rmsd from N 0.000 %NC 0.00 125.523-148.160 131.814 -90.925 96.357 141.829 113.399 -88.612 96.708 15.547 108.565 -83.591 93.584 -79.795 128.714 -77.028 91.520 18.464 140.734-105.779 121.026 -80.780 127.949 -81.791 128.122-158.990 136.552-122.879 130.634-154.814 143.291 -30.448 125.828-167.264 118.731 -53.688 121.847-162.535 169.703 179.064 98.885 145.370 140.473 -72.029 108.127 -63.281 128.800-101.315 94.083 -54.877 117.079 -81.998 94.562 178.685 0.000 0.000 125.090-158.722 161.821 114.484 94.034 73.309 156.350 31.123 92.811 115.350 112.472-101.374 123.214-107.394 139.245 -99.096 95.684 63.413 0.000 0.000 93.146 89.504 159.846 145.582 127.799 -66.533 121.793 -83.795 95.440 86.572 104.089-115.655 131.576-111.240 130.749-107.960 131.877-160.046 144.028 49.357 91.781 52.597 132.424 -78.630 119.307 -45.924 136.776-131.496 109.143-177.884 171.264 -6.426 129.695 62.676 137.680 -97.382 127.740-142.741 129.470 56.846 125.227-122.823 103.503 -80.792 125.984-164.792 157.410 -83.750 121.361-162.234 149.758 169.469 119.182 -66.176 145.739-154.026 91.821 -20.154 129.657 -76.399 94.919 91.691 132.787-118.535 131.051-127.786 148.815 158.787 127.296-158.778 145.994-114.111 133.580 -96.196 43.037-117.975 123.279 -55.641 149.954 -83.316 124.539-134.229 105.936-105.463 128.560 -99.760 122.327 -75.899 95.395 138.175 144.643-107.539 110.224 168.521 0.000 0.000 129.664-124.331 117.200 -73.290 93.611 58.792 108.625 -68.449 119.298 -4.933 0.000 0.000 92.155 52.952 125.313 -93.422 105.978 5.751 128.736 63.082 95.730 52.702 143.069 -73.144 94.289 38.399 174.207 14.079 93.762 43.174 149.367 -49.616 93.987 64.634 143.961 -11.904 131.796 173.737 131.597 -71.029 113.479 157.899 162.745 -69.079 122.043-174.751 139.015-114.257 128.981-132.795 142.795 -61.889 129.301 -86.640 156.770 171.537 126.881-157.723 121.277 -67.892 119.726-176.390 139.259 -92.235 127.084-115.099 138.099-129.791 117.722 0.000 149.718-144.951 # 96 total E -3.76914E+02 rmsd from N 0.000 %NC 0.00 91.571 55.621 129.380 -71.669 125.116 -63.418 167.972 -78.723 116.394-140.165 94.049 -76.178 129.033-149.392 133.716 -92.901 120.469 173.787 162.273-156.487 95.068 84.478 164.763 -87.995 95.564 50.410 139.564 -74.632 105.234 -69.736 121.726-140.379 91.090 -36.453 113.814 57.574 111.584-161.930 169.615-133.404 111.569 108.270 168.146 18.997 133.595 163.487 138.307 -90.423 124.409 -72.903 176.454 -15.388 121.397 -8.867 0.000 0.000 110.366 -18.543 161.270 -91.329 94.651 118.923 113.161 -83.857 92.734 158.932 160.429-163.166 91.919 94.083 144.745 -71.515 121.589 -20.445 0.000 0.000 125.951 -77.462 119.259 65.455 129.688-160.788 144.255-101.212 93.294 79.367 144.785 -74.243 93.566 68.518 101.106 -82.645 92.311 81.531 147.491 -93.190 91.458 -45.632 130.186 -77.553 124.500-170.998 141.817 -63.323 92.584 -21.573 146.111-136.273 111.349-111.453 144.881 -85.313 92.472 68.719 114.460 -51.495 94.956 77.389 139.883 -72.232 113.635-102.014 153.980 -83.221 106.333 137.555 171.085 166.334 131.267 -68.791 114.713-131.544 91.733 86.630 127.774 -75.610 116.092 -44.979 88.481 -74.130 110.596-164.927 118.934 -82.479 92.313-103.651 119.944-172.330 94.339 27.049 103.125-177.682 92.362 62.521 131.940 -77.437 129.472-171.564 110.478-118.188 117.046-171.965 124.405 -84.371 116.194 178.034 155.920-138.482 121.139 36.682 0.000 0.000 120.379-167.497 141.935 -98.369 121.564-176.227 102.329 -84.659 123.216 170.971 0.000 0.000 93.651 92.985 113.955 -67.121 97.121 -0.330 172.939 177.547 94.453 -82.996 140.580 -76.199 114.015 155.233 132.257 132.204 92.400 76.421 140.211-121.288 92.967 120.599 130.574-124.655 91.739 113.177 129.971 -76.682 123.125-128.389 120.518 -53.503 119.365 -69.923 123.613 95.734 122.832-120.028 126.771 -63.755 136.479 -73.610 153.888 143.263 126.888 -6.715 147.164-102.850 122.406-152.501 113.246 -91.512 95.766 37.272 143.865 -72.204 117.860 0.000 111.854 127.571 # 97 total E -3.75622E+02 rmsd from N 0.000 %NC 0.00 126.024-137.473 143.545 -89.957 125.576 -99.059 113.683 -90.299 114.916 -90.433 110.722 -86.955 91.729 70.322 156.283 -87.754 93.775 63.074 129.748 -81.898 123.329-111.334 150.537-106.866 125.389 -71.128 164.056 -20.964 124.484-159.849 110.713 -41.556 120.210 -80.608 73.628 -85.328 118.404 -63.069 171.181-154.168 125.877-144.849 147.315 -89.940 105.470 -34.055 146.494-112.609 92.662 -23.576 119.935-122.799 124.337 -31.221 0.000 0.000 124.923 -16.370 134.644 70.203 123.118-119.164 126.736-125.888 121.568 -83.098 158.132 -17.143 114.667-151.334 115.628-103.658 130.964-157.899 0.000 0.000 115.517 -58.884 143.108 -13.533 95.429 -22.049 104.002 -87.497 95.579 89.676 115.076 -98.978 130.626-127.705 125.980-123.200 126.251-127.641 137.205 -48.042 115.261 157.327 162.120 -92.966 93.580 82.005 126.378-119.948 111.442 139.515 146.046 -38.074 91.874 26.213 123.389 -73.774 113.372-116.929 134.283 29.714 96.090 67.359 129.193-102.307 92.248 -75.425 129.479 -75.831 114.005 141.518 165.454-172.656 127.908-121.554 128.454 -43.503 137.895-144.484 132.606 -56.637 124.612-150.535 144.739 80.742 128.108-156.785 129.218-143.101 92.718 45.249 126.283 46.792 94.297 124.424 158.412-126.794 111.859 -35.876 150.272 -84.965 94.736 125.129 124.997-146.139 115.652-101.699 149.444 -49.267 94.204 125.454 147.510-105.055 123.946 -7.602 0.000 0.000 120.230-106.627 122.660 -76.245 93.493 -6.180 136.469-139.850 134.989-131.202 0.000 0.000 122.650-102.781 147.344-116.449 124.284 -48.394 151.763 60.379 120.216-122.377 172.555 -76.020 142.272-118.401 136.906 -34.978 122.782-164.116 158.602 -5.407 92.618 81.705 147.809 -23.894 91.268 107.616 128.571 -75.504 94.036 104.279 113.254-104.346 91.820 2.957 126.988 -82.401 116.874-104.843 171.489 -54.894 131.079-157.024 132.936 97.327 126.413-158.803 133.336 -98.881 124.355-164.671 167.680 -59.413 126.811 -77.782 125.133 -66.630 105.943 0.000 85.251 -78.258 # 98 total E -3.73921E+02 rmsd from N 0.000 %NC 0.00 91.553 48.431 128.286 -88.437 94.846 87.416 113.682-101.401 123.126 78.547 110.631-104.605 91.952 121.457 134.725 -80.424 120.744 163.239 123.264 -58.374 122.650 163.930 135.897-105.328 121.591-101.474 169.453 -76.261 93.509 29.220 172.182 6.485 93.841 52.704 116.460 -58.270 130.741 177.217 147.525 -85.809 132.354-160.164 154.903 64.294 93.581 -29.519 87.930 -52.752 114.161 74.006 155.054-106.979 152.687 -49.864 0.000 0.000 95.204 103.015 142.539 -92.643 132.438 -83.295 137.504 -34.676 122.854 -2.085 163.863 -7.513 110.145-168.063 126.585-113.961 151.767-114.478 0.000 0.000 92.952 42.928 122.697 -42.171 129.680-108.931 162.794 -54.400 94.470 78.534 173.318 -46.402 94.969 113.449 112.004-100.419 128.878-100.654 139.811 176.779 92.140 36.897 126.538 -76.815 92.952 54.696 147.171 -81.096 91.420 50.973 132.526-153.729 91.037 55.663 128.117 -76.303 92.250 92.296 110.700 -48.636 122.272 -79.198 112.014 -84.389 114.868 -2.094 147.408 -83.575 128.021 -96.848 151.827 -63.431 126.112 -70.049 135.543 -54.511 123.769-169.521 142.002-123.966 94.525 81.858 123.183 -47.162 134.704-136.432 127.055-122.486 112.242 126.769 110.021 37.364 117.224 -35.213 88.897 -89.714 91.757 65.736 131.432 -76.415 113.410-127.366 132.588 -59.472 94.363 153.301 155.760 -15.581 109.013 -68.062 113.170 -87.628 125.729 -7.581 0.000 0.000 138.768-110.862 117.307 -77.476 92.894 127.836 97.559 -79.621 132.246 1.963 0.000 0.000 124.852-103.030 167.241-116.199 93.579 137.388 125.609 69.907 94.483 107.501 131.684-107.712 125.580 -91.337 143.047 -52.053 122.368-113.025 160.739-160.845 92.846 46.155 142.916-101.184 91.032 50.938 129.387 -76.293 92.474 65.248 148.396 -78.472 90.506 61.206 135.688 -55.860 92.560 64.043 98.223 -86.253 92.884 71.361 107.622 -68.874 94.375 -39.291 159.673-152.283 119.332-174.159 144.339 -84.246 95.064 66.428 128.327-134.727 117.506 0.000 138.240-160.209 # 99 total E -3.73626E+02 rmsd from N 0.000 %NC 0.00 91.586 61.419 131.309 -56.187 136.786-160.462 130.257 -88.154 111.753 -93.846 157.395 175.443 93.130 16.622 130.861 -77.045 96.201 67.278 140.240 -72.246 127.825 177.874 170.790 -35.067 120.756-148.474 167.535 -99.749 93.939 57.231 124.768-111.728 92.777 87.127 108.087 -50.325 93.172-169.331 107.440 -83.350 92.276 4.735 108.320-121.613 119.437-176.795 166.996-175.132 121.349 -86.113 159.410 -56.870 93.859 165.518 0.000 0.000 137.004 165.607 175.452-144.291 93.972 88.983 143.208 -75.337 92.682 -57.045 124.253 -92.179 124.887 -70.450 113.022-113.273 129.181 -13.031 0.000 0.000 124.257 -60.672 121.527 43.679 127.091-172.585 165.547 -49.387 93.831 94.126 142.283 -75.569 94.076 3.150 122.125 -72.798 93.638 -89.921 115.416 -68.441 92.303 171.831 134.878 -81.107 91.454 58.463 150.188 -80.112 91.136 44.885 140.078-108.588 91.279 46.886 127.352 -75.909 91.719 44.270 111.062 -55.070 92.989 59.636 124.219-109.767 91.298 40.058 128.588 -76.437 108.788 -77.634 149.844 -73.478 121.383-160.284 154.374-104.486 128.493-178.610 139.173 -76.595 93.768 72.134 101.343 -84.611 93.056 129.587 135.668-124.999 116.818 160.445 135.196-117.855 114.645 39.646 125.717 -11.112 91.546-177.742 163.464-111.137 100.705 0.044 150.580 -35.751 94.247-117.896 147.864 -20.776 93.196 35.759 176.236-130.791 95.667 70.587 0.000 0.000 93.212 62.168 115.567 -68.683 117.920-114.874 93.489 -81.439 109.696 176.121 0.000 0.000 119.433 105.558 164.533-147.514 126.791 -91.712 110.344 -58.197 125.380-157.097 164.599 -76.043 130.491 -89.243 149.493 162.539 122.709-157.238 119.199 -87.820 121.946 -79.190 148.739 -18.590 127.942-153.451 146.924 -83.437 126.564 -89.499 164.418 -61.093 126.138-153.526 140.928 -75.843 125.437-148.326 140.130 -82.669 129.975 -93.851 157.797 153.265 126.905-148.110 137.150 -91.093 124.196-105.533 168.812 -78.004 126.991-119.565 139.322 -90.948 118.476 0.000 142.068-169.489 # 100 total E -3.73490E+02 rmsd from N 0.000 %NC 0.00 126.257-135.119 139.301 -68.231 123.785 -83.392 131.504 -91.016 123.962 173.065 118.229-112.778 120.730 -83.129 152.257 -84.290 118.082 103.498 165.443 -85.465 124.895 -77.858 166.608 -65.885 95.776 -13.823 142.424 -74.693 123.611 156.181 92.930-102.218 94.237 -19.733 125.791 -63.923 94.851 -72.704 130.431 -79.705 115.707-160.787 122.075 -81.442 124.879 -99.459 150.057-143.576 106.945-154.058 146.361-115.339 150.117-113.479 0.000 0.000 130.670 -41.212 133.798 -90.898 130.987-155.932 108.621 -85.160 120.040-167.953 146.513-124.919 127.529-100.564 117.217-114.984 133.642 -28.969 0.000 0.000 126.024 -89.875 126.190 -57.147 93.682 75.203 163.017 -76.289 93.228 106.803 137.720 -74.002 94.811 -7.247 98.070-105.590 97.141 -74.469 153.665-142.335 111.377 -61.528 140.329 -92.687 92.211 69.897 142.275-104.304 92.152 54.700 100.126 -84.373 91.501 62.735 127.516 -75.176 95.690 134.436 148.763 -6.675 94.354 24.830 143.701 -73.008 119.135-153.933 142.240 -99.872 113.425 0.671 49.056 -97.695 127.705-127.189 138.607 -54.739 120.175 158.971 129.746-106.884 100.793 -50.314 166.044 9.174 91.504 11.255 143.746-147.627 119.965 -52.250 137.323 -5.114 121.415-161.180 130.622 89.572 110.502 22.578 125.016-119.727 124.001-137.319 131.480 152.821 110.009 -71.885 158.645-122.214 95.383 174.072 147.886-109.984 109.119 158.353 0.000 0.000 93.918 76.970 119.581-104.287 131.890 176.556 83.928 -85.507 94.506 94.719 0.000 0.000 121.567-111.008 125.969 -95.976 92.474 56.545 170.979 160.987 92.474 60.561 140.353 -71.585 92.241 49.796 56.631 -68.396 92.142 42.890 149.643 -18.856 92.751 56.582 145.456 -21.592 91.624 155.532 131.353 -78.413 92.828 75.267 117.092-110.858 91.446 80.816 132.992 82.466 93.513 13.586 110.172 -95.553 111.048 -79.120 85.450 -90.754 119.341 171.166 162.405-136.574 93.720 97.790 100.996 -91.251 95.612 51.825 89.426 -81.299 116.178 0.000 154.552-178.410 # 101 total E -3.73084E+02 rmsd from N 0.000 %NC 0.00 91.564 55.769 133.832 -88.799 113.069 160.025 106.461 -87.728 120.965 69.202 134.777-141.655 91.960 -9.455 130.568 -77.304 113.692 -93.927 167.713 -74.284 119.584-175.395 146.303-117.801 95.259 114.253 145.625-102.696 133.341 -77.808 96.786 -84.032 92.707 54.061 143.660 -69.891 92.214 39.364 161.295 -98.020 93.429 53.202 141.475 -71.682 93.489 69.736 131.424-111.973 93.688 -81.507 127.179-122.865 103.145 -40.815 0.000 0.000 107.020-177.501 136.751 -82.084 126.468 -95.631 169.202-107.055 121.767-171.949 159.609 1.944 128.579 -71.443 119.755-123.688 95.077 97.795 0.000 0.000 126.329 -92.078 124.303 -48.575 95.304 121.813 137.656-103.925 114.919 163.274 131.914 -77.899 94.477 81.782 139.887 -77.181 92.562 107.243 134.420 -81.685 119.958-109.458 155.739 -81.630 111.466 31.989 131.774 -82.253 93.463 148.462 142.242-169.690 110.427 104.462 124.850-116.668 123.036-103.215 140.503 15.476 126.586-147.985 134.628 -89.325 127.480 -82.887 147.323 -86.581 122.961-152.781 163.264 -91.291 91.784 70.642 102.720 127.099 90.844 91.156 129.891 -75.942 92.721 42.939 132.696-110.942 92.475 47.975 136.677-138.460 91.794 49.488 121.413-101.925 92.905 74.258 123.197-100.218 91.246 65.859 128.119 -75.133 111.644 171.325 152.058 168.236 93.573 88.642 151.752-113.993 115.448 -94.780 111.329-108.626 133.890 -45.851 0.000 0.000 125.925-104.804 121.566 -69.641 92.999 58.090 106.893 -63.345 94.766 74.313 0.000 0.000 118.450-131.584 139.964 -85.282 120.524-158.561 173.164 19.445 125.124 -88.164 141.622 -99.327 118.506 -29.096 143.204 153.542 93.235-176.955 144.803-125.552 129.208 165.205 105.860 -75.841 91.494 89.541 129.365 -76.010 124.919 -98.887 92.514 -83.942 124.290-147.048 154.202-113.216 128.641-100.458 165.920-120.687 129.829 -97.783 161.789 118.922 127.477 -99.795 104.002 -67.980 120.727-173.399 168.574-160.202 126.401-114.921 161.174-165.402 118.078 0.000 143.969-158.838 # 102 total E -3.73068E+02 rmsd from N 0.000 %NC 0.00 126.217-135.969 137.083 -65.377 123.479 -80.662 130.050 -92.557 116.757-137.007 104.780 -66.997 124.279-131.956 141.668 -97.415 125.361 22.884 142.774 -79.102 96.905 26.341 143.622 -75.021 95.431 42.769 140.805 -75.585 114.458 7.163 166.008 175.082 93.131 57.455 118.096 -81.175 92.367 55.516 141.176-159.282 99.888 -75.817 112.263 -91.125 120.822-174.177 166.310 178.435 117.055 -65.040 117.856 -97.938 123.824 -15.444 0.000 0.000 124.107-108.188 125.541-101.346 114.270 153.147 132.127 -94.233 92.381 66.083 135.467-143.343 93.573 50.228 110.427-124.121 95.474 98.445 0.000 0.000 119.261-105.796 130.955 -26.718 93.493 62.257 144.327 -77.289 92.860 43.759 136.616 -75.582 93.929 61.260 106.370-123.932 91.951 60.962 93.549 -13.651 104.049 -68.663 141.211 -95.384 124.395-166.054 132.059 -65.845 118.431-176.399 104.387 -84.474 127.173 179.214 139.228 -70.975 92.389 64.853 135.734 -7.525 94.875 117.957 141.070 -73.993 91.224 118.257 135.521 -75.053 91.991 25.514 120.994-146.173 104.358 -97.070 98.771 153.445 123.196 164.742 130.425 -72.185 117.647 119.505 96.158 -95.658 93.062 -35.557 151.802-157.888 92.359 -90.271 113.804 -58.780 91.735 76.900 84.184 -64.112 91.695 90.486 129.363 -75.988 92.175 68.135 109.675 -66.825 92.334 75.344 144.292 -14.381 93.680 89.590 112.563 -97.896 128.227 -16.840 0.000 0.000 124.112-106.476 167.292-104.151 94.444 133.112 139.456 -22.861 136.437 -92.091 0.000 0.000 123.116-103.647 121.554 -71.985 129.837-100.879 160.287 113.288 94.179 94.006 114.455 -66.550 93.464 94.039 70.100 -88.904 111.178 -76.448 158.901-120.695 119.813-162.929 148.192 -17.522 129.890-161.078 151.446 -87.841 123.504-174.441 162.999 -20.125 92.824 69.045 156.635-112.138 94.744 118.089 118.433 -79.470 93.448 -24.834 126.187-113.172 94.315 -61.399 166.004 -88.235 92.887 3.527 140.474 -71.847 128.499 -87.389 165.137 -25.953 118.348 0.000 120.034-119.171 # 103 total E -3.72779E+02 rmsd from N 0.000 %NC 0.00 91.554 55.918 135.844 -75.187 95.030 79.504 121.165 -89.716 112.879 156.464 99.227 -80.804 122.766 -89.430 143.947 -97.609 127.212-140.298 144.332 -64.256 114.766 -29.560 132.530 -82.777 94.945-179.213 114.318 -64.856 92.388 71.726 63.515 -81.237 92.425 44.602 141.974 -64.837 93.181 36.432 140.379 124.323 94.905 45.221 143.688 -75.194 93.412 48.762 135.714-132.331 97.974 -90.153 135.195-130.761 116.022-176.478 0.000 0.000 123.929-164.432 133.113 -82.569 116.467 79.490 159.285-104.865 113.248 164.484 176.360-172.006 93.701 -47.486 142.338 -91.406 112.197 -57.950 0.000 0.000 92.650 89.246 119.315 64.795 94.661 60.630 164.166 -82.569 124.731 -82.689 141.097 -64.486 128.978 171.622 123.204 -89.042 93.084 73.649 132.941 -83.919 119.388 -84.373 141.075-100.363 124.438-159.971 168.258 -53.522 116.274 -50.955 153.548 171.736 130.346-148.942 144.094 -82.904 127.774-129.552 100.397 67.428 126.498 -95.956 128.367 -60.272 112.928 130.950 146.087 -82.394 115.634 -66.596 145.887-134.605 93.823 -25.255 139.017 -94.809 128.152-156.899 148.871 -82.043 124.864 170.961 171.163 130.434 92.874 71.998 133.275-137.514 111.538-164.151 135.650 -16.134 132.530 -86.912 89.244 -65.068 127.663-156.328 130.852 -72.356 120.122 177.998 149.462 -61.771 93.764 94.058 151.289-120.897 121.505 -99.167 107.901 -86.178 121.300-162.434 0.000 0.000 125.940 -87.796 163.142 -79.667 120.282-159.887 146.278 -14.235 120.609 171.791 0.000 0.000 93.376 75.093 93.582 -81.293 93.504 68.435 155.289-128.111 95.174 -7.092 140.426 -74.638 111.964 75.764 80.707 -95.558 121.281-100.671 156.797 -28.046 112.210 167.901 156.762 -19.644 91.993 97.923 133.119 -76.347 96.562 105.302 145.896 -73.929 114.379-110.695 171.703 -15.037 95.703 34.710 144.566 -76.862 93.217 77.815 171.990 151.029 93.542 45.585 128.692 -84.437 107.862 -79.688 165.460-166.267 126.685-100.380 143.439 -95.971 119.004 0.000 127.417-141.513 # 104 total E -3.72099E+02 rmsd from N 0.000 %NC 0.00 125.667-124.724 162.783-130.031 130.109-160.152 121.152 -71.751 93.325 71.915 132.814-153.692 121.778-129.046 143.577 -97.836 93.608 54.169 165.336-122.488 94.475 70.696 142.378 -74.591 93.679 119.138 163.641 -91.800 93.194 80.434 125.442-119.817 91.876 81.843 95.478 113.934 92.423 144.289 128.254 -97.875 119.894-169.053 171.055 -41.674 130.386 174.765 166.326 121.862 128.440 -84.171 113.700 -96.246 117.717 -16.717 0.000 0.000 93.622 117.880 137.396 -87.136 123.089 -84.624 163.551 9.509 92.972 63.088 135.809-106.956 93.925 31.932 125.926 -98.003 125.282 -0.856 0.000 0.000 129.648 -88.882 121.970 -51.826 95.028 146.794 141.878 -73.066 93.857 132.653 84.780 -81.502 94.394 71.036 102.258-104.354 92.513 134.318 97.077 -30.091 91.287 -30.718 129.757 -76.211 94.309 -64.930 107.047 -68.270 91.939 78.681 103.497 -79.723 124.966-116.794 136.721 -93.918 129.672-118.233 156.445 -97.473 124.585-138.498 102.684-148.171 133.046 -72.451 143.473 -71.486 131.452-170.933 129.103-100.227 126.810-163.516 142.842 -69.328 123.450-172.946 135.483 -66.900 115.959 40.287 156.906-173.537 122.577-163.706 159.750 149.037 91.418 99.916 143.865 52.235 112.488 31.462 150.395 -2.877 91.996 -64.597 128.883 -77.372 94.756 -17.678 114.598-139.902 117.154-148.642 161.683 -20.722 123.815 -93.661 145.992-116.157 136.510 -87.081 0.000 0.000 93.470 76.921 126.617-163.409 118.380-107.711 111.952 -79.330 95.775 72.712 0.000 0.000 135.009 177.443 132.120 -95.659 129.006 -72.275 106.488 -57.196 94.045 72.610 99.851 -57.746 121.386 157.609 176.446 161.461 92.968 57.627 157.350 -18.706 93.688-179.645 142.814 -92.953 128.697-158.477 149.371 -86.700 119.367 -69.513 95.465 -96.253 92.327 1.129 128.744 -87.416 129.538 -76.512 172.923 -43.659 118.801 -29.306 102.572 -86.677 123.730-153.079 120.874 -69.314 124.633-102.945 168.258 -95.533 95.208 60.414 140.625 -73.464 117.365 0.000 140.283-177.402 # 105 total E -3.71587E+02 rmsd from N 0.000 %NC 0.00 91.581 -0.462 124.294 -74.175 123.432-101.147 124.785 -85.315 114.442 20.193 117.951-118.186 112.685-117.654 143.149 -94.209 124.951-169.944 167.280 -77.756 125.815-117.761 100.202-110.346 93.856 6.007 141.317 -75.194 108.449 74.184 120.315-129.947 92.474 -51.726 119.863 51.186 124.815-159.897 172.415-143.631 126.848 -92.004 141.451 -89.620 94.525 69.903 156.107 163.041 111.031 -65.377 150.405 -31.128 116.285-161.448 0.000 0.000 129.407-158.322 154.167 85.395 93.915 89.925 139.797 -74.894 92.334 110.171 132.144-111.444 93.701 -6.643 130.885-106.502 116.896 -30.073 0.000 0.000 111.721 -87.056 132.853 2.875 126.568-167.012 176.417 -44.699 122.524-146.182 140.424-110.622 129.207 -89.711 130.623 -90.031 128.559-145.224 158.860 -26.898 132.716 -84.999 146.545 -97.108 93.551 53.528 163.314-130.896 91.946 56.345 138.355-127.195 91.187 58.551 133.533 -80.449 91.483 89.301 150.943 5.256 93.663 23.474 140.772 -73.895 103.811-103.862 129.925 -76.984 127.584 -90.798 117.844-102.551 127.179 170.501 153.835 -29.130 91.737 92.921 129.910 -75.953 128.254-104.692 139.683 -33.841 128.677-157.519 138.812 152.373 124.121 176.013 142.350 -52.748 116.900 42.025 81.504-142.993 119.970 -69.065 141.502 -98.856 112.366-148.822 134.670-158.869 122.886-173.622 153.413 -44.159 94.181 89.000 109.995 -95.071 133.143 -9.406 0.000 0.000 93.734 54.713 137.669-119.882 94.037 28.900 105.246 -70.677 96.093 58.019 0.000 0.000 93.257 -4.109 132.901 -94.107 128.274-103.182 106.976 -99.481 125.529-176.971 165.600-130.678 109.701 111.731 155.637 31.742 92.447 111.401 151.945 -30.404 93.849 -11.097 146.447 -20.140 93.228 -80.651 131.201 -77.961 124.491 -68.752 126.297-103.409 91.520 64.999 115.931 41.724 94.501 95.428 105.691-105.800 136.498 -73.764 133.942 110.296 122.433 -9.130 171.651 -80.816 126.052-112.061 170.733 -81.957 125.941 -89.964 104.032-100.898 118.623 0.000 131.301-126.829 # 106 total E -3.71139E+02 rmsd from N 0.000 %NC 0.00 126.135-133.970 148.995 -97.062 127.234 -91.857 128.623 -85.496 116.778 -72.672 127.930-130.069 91.709 79.107 156.267 -85.807 118.545-101.851 134.292 -82.631 123.798 178.322 134.879 -90.049 127.458 -71.007 138.188 -71.472 114.292 -51.805 75.260 -82.393 115.751-168.671 96.392 -71.139 120.924-161.531 163.447-143.333 129.417-142.706 171.241 -31.494 109.305 -42.822 160.604 174.926 107.356 66.732 141.734-106.671 134.541 -27.038 0.000 0.000 124.965-101.171 130.712-100.304 128.194-134.715 133.628-121.100 127.015 -97.703 151.398 -95.716 126.288 -66.877 109.270-111.034 121.719 -7.263 0.000 0.000 114.972 152.432 140.352 2.108 94.913 88.603 122.613-104.577 94.163 14.497 122.323-125.122 108.994-156.823 164.350-128.816 133.698-178.459 159.874 -18.705 115.774-179.313 154.354 -88.178 128.109-155.161 176.491 -65.814 127.834 -95.520 107.837 -90.021 92.028 80.172 129.535 -75.955 125.361 -54.766 146.635 3.050 94.478 77.274 128.197-104.991 91.575 120.829 127.537 -74.920 127.430 -95.918 126.517 -93.765 92.933 70.175 115.686-115.520 91.755 67.341 131.517 -77.292 119.396 176.909 146.669-170.903 123.406-173.392 141.684 -95.611 127.443-171.406 151.336 -58.984 128.521-131.090 157.044 15.006 134.043-169.137 164.996-100.517 119.275 171.623 138.947-176.306 124.431 -82.325 159.177 -15.393 94.145 -20.727 159.892 -43.350 127.162 -27.141 0.000 0.000 125.230 170.618 140.147-111.064 95.600 -10.138 139.175 -18.237 96.944 129.263 0.000 0.000 121.039-124.195 171.893 -35.878 93.661 104.218 175.477-153.462 127.323-120.081 162.822 -33.241 94.017 91.409 120.761 158.462 94.009 123.672 146.057 -37.053 92.205 -37.873 142.460 8.299 91.874 -88.757 129.374 -76.324 93.882 63.018 141.311 -76.233 94.321 122.557 134.957 -85.970 126.912-171.831 116.739 -68.741 114.568 171.754 116.672 -79.091 124.045 110.781 114.727-112.099 121.692-114.496 141.602 -91.038 127.638 -90.151 165.906-107.601 106.969 0.000 98.178-110.454 # 107 total E -3.70486E+02 rmsd from N 0.000 %NC 0.00 125.577-118.493 164.752 -80.931 128.664-138.232 167.096 -26.684 109.654 -79.535 147.119-169.646 93.209 -5.966 130.712 -76.939 96.254 83.654 140.861 -77.413 128.791-142.158 176.460 -82.076 114.311 -66.390 168.892-102.169 97.879 -15.718 142.026 120.674 92.126 89.421 96.601 -95.294 133.180-137.403 149.746-120.928 111.827 -37.044 165.815 -54.358 118.054-137.949 159.808-131.752 118.458-179.849 158.335-153.746 127.594 172.381 0.000 0.000 93.536 76.807 138.355 -92.229 122.444-120.876 126.315 -87.997 118.842 164.269 164.728 -9.736 124.847 -88.071 168.906-129.957 95.519 29.335 0.000 0.000 92.876 70.869 113.941 73.681 92.587 86.676 139.204 -72.694 92.694 11.364 140.200 -72.094 103.394 -85.627 164.225 -89.831 119.896 176.574 174.308-175.974 91.566 91.537 152.447 -71.072 93.564 99.377 107.451 -72.644 117.420 -96.658 106.756 -87.783 138.394-142.417 161.758 -90.110 114.094 105.668 143.579-149.362 124.339-142.640 166.847 -33.751 121.160 -73.036 148.705 -86.656 95.282 -12.896 141.259 -79.824 93.722 87.275 137.684 -83.700 133.776-148.116 154.663 -80.586 127.666 -91.560 142.997-132.695 94.481 2.744 104.288-137.344 92.877 82.827 151.092-129.110 127.273 168.682 150.856 147.418 108.639 54.678 153.706 -87.925 123.317 -79.900 108.997-101.364 93.849 122.713 155.862 -26.221 118.314 -80.619 154.996-124.175 127.558 -83.096 0.000 0.000 129.254 179.798 171.442 -75.486 94.151-156.367 103.289 -76.655 140.608-115.723 0.000 0.000 126.779 -86.048 137.046-114.750 93.143 55.880 152.446 86.664 113.930 -38.975 136.219-106.039 137.594-143.925 176.474 110.389 111.686 -52.100 152.664-123.069 93.663 -28.722 110.112 -78.992 92.177 98.076 147.471 -54.131 128.624-117.174 171.866 -65.638 122.677 -99.769 140.101-109.539 136.230 -84.448 164.253-161.567 129.460 -83.492 91.165 -95.195 118.122-171.918 118.219 -54.848 110.369 105.136 163.905-149.578 95.048 74.013 104.473 -91.613 117.272 0.000 140.298-148.582 # 108 total E -3.69636E+02 rmsd from N 0.000 %NC 0.00 125.323-127.106 159.130 65.104 128.625 -77.342 134.009 -69.171 108.999 -34.515 141.315-158.803 112.346 160.287 157.552 -94.905 94.125 105.691 169.086-109.705 95.357 38.157 99.813 -77.866 97.009 130.351 133.366-101.159 132.941-116.866 154.850 37.967 92.931 84.264 121.356 -56.905 92.495 -32.024 127.112-124.083 121.917-136.367 167.428 -62.284 94.190 69.235 157.972 161.281 121.044 -88.934 151.811 121.739 95.013 83.455 0.000 0.000 114.629 20.217 130.312 -75.489 94.291 88.531 136.511 -71.359 92.217 60.520 149.151-166.099 92.517 61.933 125.827-109.639 118.811 12.546 0.000 0.000 133.632 -8.585 140.402 -62.613 138.883 -93.462 139.751-112.346 131.025-148.598 129.474-114.849 128.633 -76.622 121.794 -76.984 126.465-157.297 158.738 -95.316 127.087 -80.098 146.242-101.352 121.323-178.831 169.509 -60.384 93.292 93.285 100.446 -86.111 112.301 130.043 126.096 -96.011 122.476-103.476 118.931 68.994 126.464 -93.246 124.783 -92.616 91.149 65.065 129.532 -76.209 91.560 76.529 114.700 -73.275 92.235 72.320 100.746 36.446 91.768 80.262 129.750 -76.361 123.683-119.450 109.889 -89.204 92.397 62.897 118.538-148.624 91.304 52.411 128.619 -72.443 92.599 47.200 151.489 -7.502 91.067 58.398 128.685 -75.590 92.722 48.387 129.743-157.357 92.806 156.969 149.653-111.877 119.852 -49.345 176.465 -14.217 131.904-124.046 0.000 0.000 122.950 -91.352 110.074 -73.681 93.749 149.264 98.808 -77.690 119.114 37.378 0.000 0.000 122.292-163.415 144.420-105.046 121.443 168.685 166.834 1.198 94.298 99.260 113.343-106.861 93.693 103.033 118.787 -50.601 92.662 -11.546 148.374-130.603 94.608 -80.514 146.667-106.389 115.772 176.875 139.515 -68.486 129.003 -74.664 148.929-106.835 122.893-145.002 152.596 -83.913 126.326-139.148 162.394 -43.956 128.875-110.698 112.831 -94.201 94.451 80.540 124.061-135.185 92.962 88.076 141.584 -74.238 121.855-124.601 108.214-107.227 118.498 0.000 141.816 165.702 # 109 total E -3.69618E+02 rmsd from N 0.000 %NC 0.00 125.987-133.067 148.348 -86.679 127.302 -83.216 124.980 -76.917 117.133-125.903 123.515-124.985 126.101-162.970 138.725 -82.413 128.021 171.001 166.376-107.997 120.004 -93.109 129.913-123.553 94.165 77.122 159.247-110.563 132.293 -58.721 95.424 -80.764 93.700 89.135 130.427 -54.897 92.313 -47.360 140.456 -46.079 117.912-137.438 166.828 -52.572 123.299 68.694 169.580 165.716 93.479 80.011 137.444 -67.046 140.086 -12.695 0.000 0.000 128.442 -85.647 138.157 -98.610 129.470-127.603 162.588 -55.306 120.957 -82.432 172.972 -5.064 110.964 123.316 112.024-109.225 133.777 -73.531 0.000 0.000 110.841 178.245 136.351 -21.999 125.277 169.066 165.630-112.450 94.607 63.628 127.150-103.026 121.886 -95.165 164.048 -93.276 123.402-164.311 160.110 -74.790 126.011-165.647 144.197 -97.998 126.038 -91.465 140.043 -78.413 121.138-142.513 113.993-103.436 132.264 -63.666 120.052 -64.824 123.916 -88.835 128.780 -44.541 124.052 175.828 136.767 -72.328 91.727 66.412 127.555 -76.053 112.418 -88.296 91.729 -81.248 115.956 169.283 116.869 -54.227 126.293-172.279 176.424 -86.336 131.990-136.456 142.184-115.138 92.402 70.480 136.577 -99.378 91.919 37.460 119.159 -46.654 108.552 -73.643 140.127-135.805 112.823 174.176 152.339 -82.650 128.711 162.033 141.459 161.975 93.159 153.708 154.586 -20.724 112.932 -65.576 119.055 -91.387 128.622 -35.831 0.000 0.000 94.164 79.670 131.112-113.410 130.862-151.428 148.981 -5.150 122.159-167.961 0.000 0.000 129.551-157.837 138.951-113.816 117.200 -24.543 157.062 -55.899 116.725-133.290 123.366-110.052 123.404 165.699 165.893 176.640 116.554 -70.473 166.137 -7.524 110.056 -26.349 113.548 -66.647 92.179 162.671 130.375 -76.997 128.147-170.225 132.609 -52.692 91.700 79.694 125.698 -86.518 93.704 81.124 138.062 -75.521 92.392 89.777 130.584 -56.839 93.131 6.534 141.269 -77.518 100.166 -84.885 145.916 -72.734 126.112 -99.327 122.628 -80.484 119.118 0.000 126.403-143.505 # 110 total E -3.68965E+02 rmsd from N 0.000 %NC 0.00 91.551 60.344 136.539 -75.586 124.108 -78.788 132.064 -90.365 116.573-138.188 99.131 -78.158 92.649 153.670 132.182 -78.099 119.772 177.189 169.930 -74.113 94.891 69.425 126.998 -86.840 93.895 120.968 147.903 -77.860 108.241 35.723 140.887-113.558 92.947-155.153 107.407 -51.690 125.067-172.853 175.618 -7.242 101.923 -52.245 118.083-102.963 123.153-168.666 140.891 -90.851 109.476 -26.912 150.485-116.664 119.382-135.919 0.000 0.000 128.967-102.681 151.820 -99.449 117.994 176.164 143.755-108.690 92.984 82.548 156.296 -34.352 116.098 136.445 120.785 112.358 133.731 -86.377 0.000 0.000 92.923 65.792 118.680 -37.580 124.475 -69.550 128.553 -64.685 116.571 -70.781 128.914 -85.254 128.684-161.367 135.116 -64.217 125.029 -89.309 114.998 -93.432 124.199-169.190 146.818 -96.550 127.243-163.585 171.395 -22.543 116.640 177.608 157.190 -3.471 92.007 50.209 129.741 -76.386 121.817-161.101 144.858 51.460 134.935 178.892 137.639 -52.802 121.967 104.988 145.161 -83.464 121.897-138.605 136.813 -99.002 133.289-148.049 149.322 149.558 130.195-128.456 139.311-105.658 127.351 -91.503 107.327 -87.812 92.865 56.701 133.248-148.741 91.995 94.141 138.207 -88.058 133.849 -99.866 88.425 -90.211 125.553-164.452 146.813 -79.962 117.940 161.372 145.175 -28.690 93.433 89.815 153.011-130.476 114.999 -39.740 132.718-132.962 114.360-151.208 0.000 0.000 123.459 108.914 168.318 -84.286 90.579 -31.633 95.172 -77.426 95.880 -46.935 0.000 0.000 117.496-161.184 142.542-113.703 93.280 63.878 156.539-118.932 94.085 126.158 157.150 -40.895 125.833 31.983 159.265 23.929 94.643 -35.564 115.431 -95.414 120.287-102.704 127.818 -78.718 131.996-151.496 140.741 -6.618 94.920 47.287 140.583 -74.594 120.574 -93.556 148.613-121.407 95.545 110.642 144.480 -76.076 126.492 -89.886 138.867-124.664 125.564-108.834 78.927 -76.348 121.541-151.481 161.619 90.122 132.450-125.768 123.244-137.490 117.523 0.000 156.506 177.179 # 111 total E -3.68232E+02 rmsd from N 0.000 %NC 0.00 125.005-136.048 166.331 -9.747 125.976 -81.376 135.104 -93.463 118.203-136.567 113.974-110.407 129.034-147.845 152.801-101.065 122.436 -96.733 128.387 -57.964 115.507 -36.859 139.862 -88.831 93.173 78.091 98.625-106.010 107.384 19.427 173.681 13.561 92.584 74.741 126.312 -55.598 92.130 -51.135 136.182-146.392 124.457-170.337 166.585 -70.569 122.952-165.797 137.934 -88.583 121.468 -77.224 171.480 -18.627 95.197 165.148 0.000 0.000 93.133 79.317 146.420 -94.921 94.403 132.577 141.761 -74.855 92.602 91.426 122.329 -87.675 121.334-105.853 133.104-116.233 95.088 53.170 0.000 0.000 130.218-174.373 141.092 -13.034 123.090-167.816 135.760 -97.793 125.906 -68.165 130.692 -60.142 124.459-133.642 164.204 -63.660 126.830-144.388 153.179-116.108 91.280 90.451 152.257 -80.686 92.690 68.078 122.987 -99.211 93.557 0.597 140.729-137.619 115.878 82.547 151.222 -80.512 125.765 -60.887 135.261 47.372 95.008 135.755 122.374-102.493 91.283 88.367 128.854 -75.506 102.764 -60.170 114.583-114.615 92.758 97.221 142.675-139.896 91.400 67.946 131.831 -77.616 110.249 166.097 157.062 86.027 119.863 -51.755 132.566-136.812 91.659 1.501 133.369 -84.508 127.135-154.753 133.966-122.446 123.630 149.377 146.397 -65.607 111.389 21.046 127.103 162.217 93.743 158.963 156.591 -16.185 109.607-120.317 168.216 -14.445 94.652 34.596 0.000 0.000 94.397 64.175 118.070-100.275 94.112-119.894 129.200 -25.886 121.474 -72.184 0.000 0.000 93.394 -6.316 131.106-102.145 114.629 81.255 176.469 142.182 131.900 153.702 171.828 -80.599 128.418-107.187 156.460 20.123 124.608 173.427 162.482-161.088 115.683 91.996 146.383 -20.775 91.910 43.949 129.301 -75.998 117.799 -80.356 145.313-100.694 117.955-152.774 176.493 -82.709 128.411-119.894 170.221 -49.945 109.018 -2.565 92.649-105.186 118.921 -64.614 158.167-168.769 121.316-169.433 163.872 -81.392 127.980 -75.034 114.037 -73.605 105.763 0.000 77.900 -76.769 # 112 total E -3.68221E+02 rmsd from N 0.000 %NC 0.00 125.284-133.053 163.485 77.180 123.394 87.940 137.167 -96.448 119.746 169.699 115.899-112.505 129.592 -90.085 145.031 -88.314 122.310-154.079 166.196 -68.752 94.851 81.187 126.863 -95.540 94.604 32.139 138.285-113.032 116.804 -67.442 75.795 -78.593 111.277-165.064 107.130 -58.634 129.064-170.489 144.730 -77.540 111.208 176.480 131.818 -90.652 131.460 115.267 165.137-128.542 111.145 113.903 163.938 -38.617 124.960 -17.778 0.000 0.000 125.422-125.107 125.506 -77.903 126.246-140.799 145.491 -84.383 124.680-151.457 156.946-141.104 140.031-172.845 44.705 -95.669 94.015 68.282 0.000 0.000 123.018-127.885 133.994 -23.264 131.850-172.163 142.832 -94.180 119.466-178.980 168.367 -23.949 129.778 -63.952 176.430 -81.955 122.494-133.410 159.960 -75.735 134.221-154.257 149.886 -98.447 117.544 -25.419 141.240 -83.349 93.812 71.197 101.858 -85.707 120.369-117.517 141.657 -84.897 126.200-168.916 146.216 -31.512 122.634 -89.119 133.578 -67.369 91.243 69.577 132.427 -78.034 132.105-109.434 147.792-172.746 93.459 98.033 143.555 81.398 92.108 132.457 127.545 -75.393 111.830-147.959 132.065 -81.443 93.217 76.759 149.397-132.106 92.319 -28.269 127.943-101.794 112.199 71.302 109.765 -82.876 91.748 63.278 133.076 -75.030 93.357 79.985 125.583-171.113 92.907 -87.468 143.895-100.789 94.198 110.095 144.328-105.119 120.497 168.253 0.000 0.000 124.590-177.565 175.330 -36.455 93.050 29.260 140.956-148.289 127.803 -92.943 0.000 0.000 130.881 -89.073 155.276 -96.098 93.820 9.240 160.579 104.294 95.529 82.115 146.374 -73.086 134.687-177.212 152.453 -10.846 118.469 -61.175 118.224 -88.103 93.796 84.093 148.731 -18.159 117.935 -63.783 143.309 -85.084 122.242 -66.533 169.788 -86.066 121.532-155.309 176.419 176.588 130.388-154.812 126.779-111.040 110.838 176.929 156.462 -41.271 130.773-119.863 131.300 -59.733 120.298-178.872 136.187-108.624 126.172-104.557 152.823 146.112 118.406 0.000 138.206-142.624 # 113 total E -3.66339E+02 rmsd from N 0.000 %NC 0.00 91.595 109.423 132.610 -78.920 125.309 -94.380 136.141 -91.071 124.745 116.383 111.280-104.304 126.573 -94.828 139.952 -94.311 125.736-156.568 153.206 -91.556 126.226 -79.282 130.099 -58.249 122.061 -25.925 118.478 -78.850 131.398 -88.616 113.538 -95.272 107.893-169.387 107.508 -59.270 122.033-179.105 176.483 -4.637 122.362 -78.533 119.696 -98.953 108.637 -26.523 161.891 158.751 94.518 133.209 176.443-162.452 131.891 -57.967 0.000 0.000 93.491 48.854 131.117 -80.973 94.263 66.904 142.889 -67.748 92.178 70.931 148.198-156.103 93.012 107.025 130.301-104.127 125.104-105.637 0.000 0.000 94.429 32.083 133.666 -62.873 96.368 73.153 97.632 -62.186 95.544 7.643 169.475-166.513 105.914 -84.812 143.702-142.003 120.794 157.260 175.166 -37.050 91.064 100.620 151.258 -82.383 93.116 73.157 120.688 -80.502 93.089 117.973 142.182-133.315 91.730 6.840 124.816 -72.355 101.839 -81.252 128.957 19.524 96.216 2.121 163.070 -73.305 93.040 107.300 129.387 -76.222 121.340-116.936 158.798 -29.938 130.355-119.533 144.625 168.383 127.787-174.206 148.494-103.964 126.346-149.459 132.323 -33.249 130.876 -61.696 142.512 151.394 91.962 86.886 145.519-113.195 121.878 162.667 139.988 117.869 92.046 71.966 127.323 -75.161 130.890 -88.099 149.368-171.820 94.512 96.199 141.752-110.632 125.522-106.169 167.372-162.347 120.971-170.703 0.000 0.000 124.199 -78.774 103.544 -87.546 93.157 8.946 135.810-134.775 127.051 -19.903 0.000 0.000 125.413-152.502 143.169 -91.390 127.221-126.950 111.638-108.659 123.437 43.769 118.350 -50.340 94.296 87.816 158.976-130.075 92.989 152.599 156.003-147.246 93.428 39.420 107.776 -76.848 92.061 65.776 129.304 -76.157 119.656 -43.307 170.984 -57.648 92.516 79.049 127.044-108.700 93.836 -11.985 133.911 -98.129 112.786 135.197 146.974 119.687 125.352 -84.737 169.870 -86.521 123.931-156.977 170.915-110.096 127.529-113.915 125.956-115.741 118.174 0.000 144.474-153.685 # 114 total E -3.65350E+02 rmsd from N 0.000 %NC 0.00 91.570 61.377 135.883 -74.164 125.290-148.666 133.427 -83.522 93.066 61.159 101.477 -85.382 117.541 173.278 148.109 -86.533 123.983-171.317 143.290 -91.720 127.140-159.985 143.840 -78.181 123.834-162.582 165.463 -55.738 128.969-159.178 146.359 157.978 127.683-107.846 116.916 -95.961 133.736-136.773 144.341 -79.947 128.022-103.678 126.300 -99.306 126.584 171.585 165.509-104.705 93.822 -66.826 103.996 -91.047 91.836 28.420 0.000 0.000 115.701 -64.282 123.300 -81.708 128.262-133.641 169.876 -96.143 122.355 -95.177 167.210 -22.723 117.404 127.473 93.546 -94.941 134.112 -80.622 0.000 0.000 93.815 26.666 119.359 -75.396 137.503 -85.185 138.374-122.958 124.514 -37.243 165.099 -7.692 122.055 172.534 133.718-114.968 93.419 70.693 114.135 100.778 91.850 114.131 133.112 -80.768 123.619-108.615 92.220 -61.743 120.177-151.402 108.007 -80.813 135.513-101.610 158.274-103.795 125.521 -97.856 125.456 67.545 126.950 -79.258 143.393-120.665 122.657 -63.066 144.915 -80.955 113.924 -29.319 157.488 -90.361 121.377-166.433 141.940-100.154 115.791 174.627 142.400 -89.493 124.314 -53.776 153.573 52.266 123.653-137.498 113.597 -71.478 109.285 91.273 146.665 -94.143 93.837 54.597 140.035 -5.500 119.885 -92.268 134.596-140.638 118.760 -69.034 110.778 -97.751 126.053-178.129 168.229 169.122 116.874 -68.613 170.934 -23.624 94.113 73.632 0.000 0.000 113.798 -86.077 106.986 -70.770 93.947 -9.488 139.761-131.260 134.737 -68.862 0.000 0.000 143.356 -60.641 176.534 -98.089 122.887 76.873 119.725 120.977 118.781 -22.822 161.512 -4.293 128.364 -88.266 76.467 -86.663 126.687-173.863 112.203 -84.576 116.127 66.921 112.906 -54.015 109.032 138.067 145.351 -86.378 94.961 91.256 140.387 -73.742 131.315-112.697 147.786 -91.073 127.802-139.232 120.179 -91.874 133.482-100.059 126.999 -83.688 120.201 -64.755 168.857 -97.432 123.871-163.374 131.506-106.339 127.294-116.001 137.834-114.095 118.007 0.000 147.057-155.842 # 115 total E -3.64462E+02 rmsd from N 0.000 %NC 0.00 125.703-143.077 136.880 -88.546 127.146 -85.215 124.907 -83.986 111.370 153.340 135.666-147.032 91.720 66.388 130.489 -76.852 116.335 130.248 166.384 -80.620 94.532 70.168 128.708 -99.856 119.564 -46.930 132.604-111.713 111.710 79.404 163.832 6.666 127.423 -82.228 149.173 -33.668 123.085-165.270 135.871 -89.093 125.363-174.484 135.882 -87.615 119.599-174.197 135.604 -99.263 122.172-172.516 173.941 0.279 134.476 -74.641 0.000 0.000 124.812-160.669 140.471 -71.294 125.090-150.350 164.634 -27.790 121.381-150.994 150.890 155.338 127.857-166.250 113.574-113.465 131.562 -54.331 0.000 0.000 120.674 -57.604 140.178 -13.163 123.915-154.797 125.348 -79.941 136.181 -99.678 93.277 -88.881 118.218 -16.504 134.021-104.109 94.402 -20.595 148.660-140.559 121.053 136.146 137.868-107.289 112.289 -46.088 168.990 -87.544 93.297 2.446 103.019 -84.712 120.142-118.371 157.862 -75.604 134.103-131.694 142.759 -11.453 116.440 -66.690 145.680-127.391 124.252-157.932 171.371 -86.180 123.961-112.716 165.553 -94.932 92.974 46.577 128.380 97.456 91.581 72.032 129.747 -76.323 93.495 61.986 150.325-107.637 125.077 -85.936 103.262 81.544 108.742 172.046 140.765 39.743 95.208 101.772 133.862-133.430 92.016 -17.501 128.101 -75.634 94.297 -72.178 151.420 -41.130 108.375-174.468 157.591 -17.993 121.955 -89.874 159.970-160.629 139.317-128.277 0.000 0.000 121.949-153.736 167.813-158.730 119.688 -71.417 110.229 -75.629 123.858 -14.321 0.000 0.000 126.280-123.219 131.390 -74.308 133.734-149.434 142.089 140.953 124.790-151.311 167.291 -67.446 132.023 -70.425 147.385 141.580 119.828-172.681 163.839-171.383 93.298 99.015 109.247 -76.188 91.773 -2.398 129.061 -75.861 97.091 -80.890 120.253 -88.555 114.960 172.065 138.248 -63.472 94.809 78.718 79.128 -88.637 130.388-122.829 147.408 98.990 126.627 -64.102 142.094-109.063 127.281-157.709 170.176 -68.076 126.272-121.512 123.769 -71.263 118.858 0.000 137.083-175.599 # 116 total E -3.64322E+02 rmsd from N 0.000 %NC 0.00 126.046-126.566 151.765 -80.502 126.451 -89.858 134.861 -92.593 125.223 113.174 108.428-101.631 92.089 11.953 130.334 -77.002 124.950-151.039 167.381 -53.637 122.089 -69.561 110.992-127.256 94.467 58.346 144.381 -76.827 114.607 155.119 121.217 -41.924 92.440 86.698 99.269 -83.192 115.179 151.745 170.469-174.598 92.917 59.981 140.438 -71.183 106.643 142.415 99.840 -75.507 117.582 -87.492 130.718-131.245 94.483 65.747 0.000 0.000 94.057 157.326 137.270-101.925 94.750 93.741 114.477 -73.501 111.559 -66.604 167.581-141.757 93.326 78.705 108.189-116.603 94.355 86.574 0.000 0.000 121.335 -77.614 132.876 -43.827 122.496-168.149 114.364 -92.614 117.564 170.202 134.738 -75.886 93.729 93.529 145.097 -80.664 91.235 91.974 143.213-131.290 91.126 7.932 130.377 -77.270 97.626 -93.270 138.506 -73.624 93.532 162.385 100.762 -58.771 91.076 81.451 131.528-137.962 92.165 23.008 149.433-163.825 94.203 -96.568 139.587 -73.512 122.095 174.785 176.418 -86.441 120.910 -75.587 142.337 -30.072 123.769-118.941 140.665 -26.036 91.811 128.078 129.019 -75.977 93.941 88.285 88.609 -85.237 123.610-118.000 173.165-100.232 126.874 -92.034 123.084 -58.667 92.569 64.210 96.683 -72.410 91.118 78.739 128.686 -76.434 93.146 100.515 128.308-148.533 93.205 -99.031 146.128-109.465 125.787 -97.461 153.654 169.292 122.315-170.495 0.000 0.000 115.768 102.232 145.925 -99.516 91.882 -12.640 139.938 -20.021 100.445 -72.968 0.000 0.000 113.971 174.293 118.641 -68.878 93.601 72.380 122.872-128.269 134.865-154.049 127.098 -64.045 125.999 -91.482 133.841 155.477 93.598 48.944 140.727-129.210 126.145 158.272 147.364 -27.658 110.538 -24.143 147.215 -98.970 125.481-153.257 125.325 -71.987 128.203 -92.655 131.357 -87.153 94.043 70.671 113.414-100.985 93.291 84.635 176.451-175.241 113.018 -78.809 93.578 -72.988 115.203-173.982 165.747 -77.083 127.010 -98.158 137.962-146.763 118.119 0.000 136.910-123.499 # 117 total E -3.63071E+02 rmsd from N 0.000 %NC 0.00 125.400-128.105 164.256 57.050 127.062 -89.898 142.494 -78.329 117.424 -95.990 128.238-131.250 119.653 -69.563 143.745-100.284 128.617 175.808 165.946 -6.141 106.927 -52.813 125.477 -79.433 93.146 62.613 139.676 -68.158 128.283-125.058 152.763 169.941 126.511 138.692 149.441 22.647 92.243 98.299 132.472 141.784 116.297 129.368 168.917 -24.604 93.078 65.330 151.768-146.962 93.193 54.907 103.999 -94.749 94.311 37.225 0.000 0.000 105.307 -96.720 148.734-103.337 121.359 176.394 170.066 -84.068 114.079 110.408 158.982 -7.593 121.250-102.853 117.296 108.273 133.916 -76.645 0.000 0.000 118.891 175.727 146.382 -8.908 93.969 68.807 140.619 -76.443 93.219 86.988 141.582 -74.699 93.434 66.973 139.902 -74.250 92.214 97.800 132.002 -73.490 91.270 -11.218 130.407 -77.415 100.773 -80.181 142.372 -75.679 114.622-171.659 103.158 -84.287 128.708 -95.783 157.666 -83.772 117.832 -83.899 140.401 -0.283 125.218-163.161 121.396 -79.708 127.306-171.253 147.811 -83.365 126.039-147.921 162.278 -20.297 125.409 -68.286 169.901-129.461 125.555-135.165 141.964-119.746 133.031 -93.632 150.649 156.034 92.911 59.152 159.484 155.589 91.291 98.734 144.976 -73.501 109.992 26.971 64.824 -90.584 91.804 132.846 128.993 -75.971 116.020 13.300 156.680-163.304 92.727 -58.579 140.304-121.488 93.396 6.619 148.174-138.469 124.281 -2.731 0.000 0.000 126.465 -73.298 164.444 -99.092 94.090 168.947 97.901 -82.500 141.293 -77.451 0.000 0.000 126.313-165.651 168.162-115.578 125.820-165.398 166.505 134.301 124.842 -88.870 138.128-107.022 93.997 61.288 170.779 14.970 93.416 131.638 145.619-128.241 124.866 168.751 99.810 -76.548 91.463 -31.900 129.739 -76.439 121.765-142.745 158.838 -15.031 126.566-144.762 168.386 -11.874 123.375 177.616 176.438 -84.479 128.622 166.970 157.958 107.176 94.477 67.259 143.662 -76.187 126.069-123.739 123.198 -94.009 126.284-135.289 142.218 -93.816 118.271 0.000 142.281 149.928 # 118 total E -3.62289E+02 rmsd from N 0.000 %NC 0.00 91.561 63.100 152.848 30.159 118.970-171.257 124.172 -82.757 93.191 120.413 136.256-158.662 131.328-154.410 142.941-114.259 112.851 -70.264 167.792 -84.112 97.212 -67.632 117.526 -80.064 93.622 88.854 144.331 -74.984 94.896 40.381 94.270 -78.635 102.270-113.946 114.086 -41.062 116.628 -87.955 126.394 126.761 138.134-172.064 144.426-100.165 120.177-160.274 163.633-109.032 106.662 -29.201 113.132 137.110 111.462-167.029 0.000 0.000 119.762 169.414 115.601 -85.864 128.188-155.212 164.608 -33.176 123.099-152.475 164.263-158.455 93.587 104.004 104.228-122.990 110.015 22.410 0.000 0.000 98.092 -61.031 101.821 -62.803 94.323 -14.930 141.665 -74.813 116.839-166.150 171.574 -44.162 129.359-136.182 167.794 -14.458 110.243 -56.076 154.390 162.716 118.495-161.367 147.999 -78.623 126.099 166.672 151.207 -96.913 93.426 -53.006 139.840-133.586 91.498 6.608 129.537 -76.270 121.493 -31.623 143.014 -19.217 127.342-148.255 137.528 -92.570 119.542 97.935 152.341 -87.856 123.362-122.655 149.070 -69.803 130.296-179.558 121.021 68.307 111.584 95.749 150.766 -85.860 125.729 160.904 138.717 78.853 92.374 53.054 120.185-160.935 112.567 164.676 125.008 2.328 119.211 153.576 154.983 176.191 104.124 27.425 129.014 -76.686 119.049 -98.836 146.959-165.947 93.196 69.428 151.132-120.333 106.383 -79.190 142.515-105.903 94.146 153.823 0.000 0.000 131.221 177.287 169.815 -51.085 92.109 -44.743 99.038 -76.670 111.761 -39.520 0.000 0.000 123.909-178.313 119.943 -77.157 123.052-174.456 116.956-108.690 126.653 -58.507 134.084 -98.757 129.955-160.224 176.426 154.882 93.073 51.609 140.888 -89.541 94.767 80.737 110.736 -73.735 91.170 -64.620 134.150 -77.544 94.962 -53.839 116.481 -87.548 94.508 171.617 141.193 -97.587 92.965 83.644 125.573 -80.993 92.960 100.146 172.983 166.515 92.483 91.438 123.568 -93.849 92.733 82.395 87.924 -85.611 122.175-117.481 122.725-116.390 117.896 0.000 149.972-155.593 # 119 total E -3.61231E+02 rmsd from N 0.000 %NC 0.00 91.571 55.449 133.800 -71.198 95.111 81.325 137.603 -75.606 122.328 171.877 114.142-108.891 126.450-168.632 149.625 -92.099 124.336-167.354 168.147 -90.047 125.897-157.490 138.327 -98.805 126.741 -74.801 146.055 -92.613 121.281-167.223 121.764-137.062 125.745-123.960 127.902 -76.061 92.425 63.815 148.679 -46.686 93.332 91.517 141.139 -72.935 118.451-108.233 113.945 -86.954 115.082-177.843 155.626-128.318 95.161 83.295 0.000 0.000 111.613 162.009 138.478 93.567 95.260 98.119 156.336 -43.807 92.918 -53.237 130.872 -92.524 93.671 120.889 108.040-121.159 127.031 -52.089 0.000 0.000 92.993 72.362 130.326 43.942 95.031 16.511 150.790 -76.265 96.080 -90.791 118.215-125.919 121.033 175.290 169.576 -37.361 133.826 165.210 114.871 77.662 91.636 77.062 152.608 -86.408 124.637 -99.235 95.640 -56.845 113.249-174.709 153.586-156.212 91.474 78.108 129.655 -75.665 91.856 65.123 109.707 -50.048 94.207 68.261 136.842-101.891 91.724 -69.897 128.530 -75.615 124.685-161.345 149.585 -46.093 116.918 176.992 169.777-159.655 91.470 76.455 130.336 -77.683 92.831 76.317 110.208-118.145 93.561 19.731 130.885 -85.269 94.271 -95.503 73.473 -68.161 120.484-165.578 101.319-101.128 128.124-153.780 142.465 -48.788 110.493 -31.439 162.748 -44.077 115.007-155.070 166.755-140.990 116.111 -58.150 158.137-138.924 94.533 71.579 0.000 0.000 121.718 176.356 166.714 -96.430 93.447 21.691 95.809 -81.323 132.502 -66.135 0.000 0.000 125.183 114.210 139.501 -87.998 131.069 -81.894 103.520 -95.801 124.194-159.007 127.358 -88.925 127.829 -81.856 125.001-120.007 93.327 3.563 158.856 -17.537 122.079 -83.211 111.360 -70.334 127.201-164.014 150.304 -94.637 124.333-141.676 151.046 -34.263 91.279 73.468 109.400 106.990 92.900 73.852 143.139 -77.498 92.770 127.756 141.187 -50.854 93.861 110.125 119.421-116.686 92.690 75.529 106.123-103.822 94.795 84.337 109.110-114.202 117.765 0.000 134.819-146.618 # 120 total E -3.60798E+02 rmsd from N 0.000 %NC 0.00 91.601 101.518 148.975 -85.212 94.459 84.874 125.739 -88.878 122.174-140.395 112.278-109.215 91.632 103.196 131.795 -77.449 92.882 56.014 126.016 -85.905 118.322-158.662 120.086 -64.737 126.962-147.321 137.237-108.737 129.965 171.685 151.264 21.699 93.140 65.575 110.057 -52.637 106.459-101.399 157.038 -21.839 113.648 85.791 128.831 -78.045 116.619 118.343 166.913-143.306 134.011-109.359 165.244 -29.523 120.594 -30.706 0.000 0.000 92.805 86.656 103.235 72.346 93.743 86.578 137.717 -76.598 92.577 -44.333 144.976 154.378 123.892 -35.641 128.015-118.396 126.590-133.381 0.000 0.000 123.537 -82.758 138.797 -21.768 135.112 170.146 142.051 -97.542 119.525 -77.552 138.893 -82.803 93.952 62.540 141.522 -73.779 115.661 -37.635 126.574 -66.390 121.215-147.246 141.601 -83.378 127.471-145.807 127.910-115.637 93.453 38.143 137.099-121.728 91.558 55.455 129.720 -76.152 91.816 47.051 156.543 155.976 94.052 69.615 127.305-121.370 91.690 -52.686 128.336 -75.830 131.273-172.006 153.493 115.668 112.900 175.388 113.259 -19.418 129.619 167.209 135.961-113.696 112.851 107.267 153.511 -6.165 93.675 37.297 137.571-129.154 114.754 -56.203 148.364-175.892 116.859-158.365 130.020-117.953 133.766 179.582 141.603 -68.686 109.756 -26.915 128.749-150.888 96.230-139.617 153.743-111.352 112.630 155.122 167.040-116.197 116.650 167.617 0.000 0.000 94.054 105.213 122.939-109.244 91.560 -35.251 88.104 -85.942 99.530 -52.578 0.000 0.000 121.371-163.858 165.487-100.832 109.850 2.030 174.132 9.779 115.750 -61.431 115.072 -88.045 121.328-162.508 165.115 14.848 94.034 78.949 148.036-128.818 93.940 89.797 146.456 -22.290 91.826 -36.023 150.534 -62.970 117.785-124.271 128.494 -78.996 92.703 69.203 152.559 -95.031 94.942 83.357 120.301 -80.623 118.340-121.649 146.375 -90.346 93.368 -27.738 77.712 -53.923 120.205-137.853 163.910-125.680 130.091-118.349 97.833 -62.122 118.630 0.000 140.089-169.929 # 121 total E -3.58906E+02 rmsd from N 0.000 %NC 0.00 124.094 -99.091 165.133 -49.553 95.019 91.422 141.748 -71.349 118.738 84.638 123.076-123.430 91.351 -35.681 129.589 -74.597 101.262 -59.408 137.293 -73.267 116.695 -61.165 154.395 24.579 93.135 59.511 144.556 -80.323 92.790 49.185 73.917 -82.397 91.609 78.776 126.308 95.610 90.985 71.834 142.850 -86.894 91.657 109.405 105.808-102.579 114.480 -86.899 119.282-100.989 94.911 165.181 156.745 -46.055 117.914 166.030 0.000 0.000 128.903-154.221 152.114 92.948 123.083 -81.909 129.507-107.197 127.175 -97.264 166.850 2.018 124.454-157.328 121.973-109.971 94.954 69.896 0.000 0.000 112.270 153.770 140.750 8.586 94.556 76.925 147.687-111.138 94.322 135.694 137.395 -75.347 120.420 -66.702 121.780-115.266 109.355 -28.365 156.398 -96.816 110.848 122.013 148.187 -95.418 119.861-107.841 99.276 -56.143 112.402 -86.634 152.296-147.782 128.580-164.576 143.157 -78.269 125.305-117.842 135.173 23.983 125.820-148.747 111.197 -58.322 123.972 163.677 147.506 -77.944 113.611 164.514 147.291-141.337 116.422 110.521 155.587-173.037 115.448 -99.503 155.204 -90.601 94.264 36.474 168.371 -2.012 92.891 67.178 121.507-142.716 92.057 -15.950 141.494-136.280 114.218 75.891 144.891-152.907 120.161 -73.463 165.241 -81.637 125.761-154.566 137.557 46.725 92.858 78.751 151.981 -19.866 111.173 -9.560 174.160 -15.015 94.578 159.742 0.000 0.000 93.238 99.937 129.761-101.923 91.427 -4.291 137.647 -28.986 101.358 -93.912 0.000 0.000 115.304 114.124 167.721-103.145 131.428 127.161 141.801 83.939 129.489 -86.134 117.002 -55.780 120.912 0.128 106.444 -77.807 120.508 -85.839 122.995 -95.255 121.415 156.146 108.286 -84.553 117.073 128.921 148.728 -85.171 129.558 -76.199 173.552 -40.774 92.863 -8.824 134.952 93.563 125.873-140.593 124.455 -53.817 107.987 135.428 130.807 108.190 94.624 118.875 165.579-128.316 115.525-102.620 148.748-109.652 127.487-114.035 132.819-142.352 117.653 0.000 150.781-129.511 # 122 total E -3.58626E+02 rmsd from N 0.000 %NC 0.00 91.531 51.173 133.376 -70.915 95.463 152.665 103.604 -84.174 93.838 73.428 141.296-165.725 92.170 -64.912 130.077 -77.108 117.801 -68.230 145.909 -90.911 123.379-117.821 156.279 -20.374 131.229-114.392 129.444-140.056 123.015-102.631 155.838 77.403 92.454 53.213 169.287 -62.014 92.547 71.477 153.141 -43.262 124.748-157.403 135.266 -86.216 121.814-118.624 163.375-149.320 109.547 169.346 158.104 -55.237 127.893 41.308 0.000 0.000 93.958 104.913 138.761 -90.857 123.356-131.443 159.038-102.906 118.597 70.005 161.646-131.168 93.625 140.941 108.436-129.701 136.341 -62.110 0.000 0.000 129.860-154.890 138.575 -17.606 120.301 -62.828 137.083 -91.737 122.520-152.305 131.831 -83.928 128.268-140.829 135.400-112.986 124.970 -75.191 101.589 -48.344 125.517-154.376 142.901-100.987 124.967-144.183 119.861 -64.732 94.081 -46.523 146.500 -24.865 126.636-154.058 143.316 -83.866 125.484 -96.064 140.904 -7.181 126.366-151.278 120.911 -54.803 127.139-160.031 146.891 -82.391 124.510 -90.865 156.493-176.599 124.438-149.467 143.807-128.401 130.353 -94.516 138.867 -94.400 93.326 74.920 153.004-123.569 92.408 69.258 127.142 -97.047 91.802 -60.702 94.561 -96.066 119.997-172.224 156.584-139.824 128.117-111.152 132.157 -79.939 94.004 -24.386 123.180-147.845 123.129 -92.566 167.696-146.195 94.255 165.681 134.894 120.855 125.310 51.180 0.000 0.000 125.989-164.886 138.284 -92.478 92.870 56.996 95.057 -83.300 116.098 4.929 0.000 0.000 93.734 49.117 115.721 -94.300 94.214 32.105 121.678 61.142 94.340 47.923 145.107 -74.692 92.186 45.347 135.707 84.333 91.822 51.314 140.764-127.772 92.196 56.881 135.289 -7.298 91.419-113.368 130.592 -75.377 111.730 -62.363 138.281 -70.446 92.295 -19.527 121.335 92.296 95.675 90.950 111.485 -62.768 130.072-141.171 165.745 37.231 129.525 -91.226 138.639-123.498 126.879 -86.805 169.635-107.175 127.165-146.309 138.500 -88.389 119.061 0.000 122.931 125.178 # 123 total E -3.57598E+02 rmsd from N 0.000 %NC 0.00 125.857-142.987 136.218 -84.930 128.180 -73.710 149.173 -91.824 118.178-140.161 110.905-107.947 123.359 -56.119 146.257 -92.927 93.559 97.548 140.925 -75.877 94.556 62.175 123.412 -80.866 118.264-144.293 164.681 -2.221 128.253 -85.310 125.880 128.051 125.821-151.598 108.938 -61.596 126.250 177.741 160.581-103.869 93.254 66.184 140.123 -75.508 118.797-105.847 109.521 -78.483 94.547 137.950 152.224 -10.419 134.734 -65.290 0.000 0.000 111.826 -63.249 103.009 -72.690 93.492 22.735 135.701 -96.509 124.325 -78.070 161.063 9.193 127.138-162.959 149.394-122.229 134.645-164.997 0.000 0.000 92.822 60.469 116.924 -35.953 95.035 145.034 139.089 -98.158 118.587 -45.132 126.939 -59.772 93.762 19.714 118.677 -92.690 116.391 -82.650 129.278 -88.573 91.594 55.639 152.751 -86.769 127.480 -73.118 104.653 -68.423 91.921 147.482 134.476-150.406 91.407 89.908 128.586 -76.523 99.927 -45.009 166.527 -63.890 93.456 93.700 149.613 -72.082 90.479 1.844 131.399 -77.912 100.292 -97.897 147.094 -79.647 107.503 133.764 103.283 -17.425 91.950 44.776 155.759 -87.754 122.168 177.249 108.466 -63.854 112.205 160.925 139.805 78.077 107.383 89.433 137.769-128.332 119.986 156.525 107.010-149.590 111.127 103.952 148.050 -81.977 123.989 -75.764 157.012 -24.489 119.923-156.986 149.646 -26.778 93.779 68.882 141.520-108.343 94.709 98.107 0.000 0.000 116.025 -97.751 132.574-102.275 120.089-171.264 157.815-154.901 127.697 179.644 0.000 0.000 122.219-160.501 168.599-119.202 125.021 -59.144 163.732 123.058 120.726-172.526 123.746 -95.968 122.183 113.328 126.047-126.808 121.418-104.995 162.359-172.528 92.705 48.248 112.142 -79.244 91.118 46.789 129.456 -76.033 93.432 42.279 117.391 -81.888 92.018 41.714 144.885 -93.168 93.658 42.481 117.072 -91.594 93.063 42.262 147.108-114.946 93.816 56.625 115.201 -97.693 92.630 72.867 142.830 -74.722 94.374 86.007 119.146-143.038 117.158 0.000 141.316-130.679 # 124 total E -3.56287E+02 rmsd from N 0.000 %NC 0.00 91.603 109.297 132.320 -79.285 125.031 -81.899 135.687 -91.276 118.049-135.400 117.691-115.460 132.518-140.536 146.249 -97.009 126.498-166.356 166.227 -80.461 123.561 -75.805 135.109 -96.531 95.438 -51.788 123.381-117.345 111.817 76.680 138.098 47.968 93.750 58.822 109.618 -66.632 92.996 -96.583 99.145 86.649 119.916 -80.321 163.735 -53.256 93.136 1.863 107.532 -85.771 111.853 58.903 149.651-119.984 132.187 178.571 0.000 0.000 125.543 164.289 153.709 -74.923 94.013 125.762 169.870 -84.066 92.191 90.853 135.635 -94.051 91.998 4.760 110.327-121.558 102.545 -83.020 0.000 0.000 117.131 175.607 129.785 63.189 93.913 65.483 79.462 -89.558 93.711 75.095 130.835-106.845 93.953 111.524 137.754 -75.929 92.587 134.706 114.407 81.623 91.114 92.503 130.455 -77.399 93.631 -1.776 164.385-115.086 94.073 -83.666 147.537 -25.581 126.282-170.959 140.125 -79.410 119.603-164.054 136.096 -39.368 131.877-179.839 142.704 -87.083 110.153 102.842 144.761 -77.019 127.570 135.014 127.999 46.415 120.055-106.314 134.162-105.061 135.025 -86.817 157.243 -85.735 128.878-165.322 176.454 151.279 118.461 -65.304 140.477-158.364 118.942-156.282 125.504 -6.020 129.551 -89.122 150.057-179.469 127.444-165.940 143.035 -85.498 120.505 171.745 109.042-101.421 114.847 101.790 160.863 -14.805 121.601-104.993 155.542-123.817 123.984-175.609 0.000 0.000 122.920-175.319 147.073 -99.643 115.898 -67.100 102.547 -78.646 120.885 -21.480 0.000 0.000 130.360 175.167 172.416 -21.816 101.791 -30.175 174.464 175.235 93.019 -36.420 143.649 -71.033 111.460 -0.881 158.723-167.092 114.045 -61.586 120.917 -90.602 93.265 82.434 147.796-107.950 133.658-133.833 143.477 -83.967 94.498 83.373 122.236 -69.837 93.124 72.182 134.935 -89.721 120.247-106.737 102.765-102.443 124.342 -89.005 123.642 -79.650 121.221 -73.093 176.463-100.521 122.449-166.125 167.531-113.317 127.015-117.846 132.364-119.074 117.826 0.000 149.866-154.210 # 125 total E -3.56211E+02 rmsd from N 0.000 %NC 0.00 91.583 108.962 132.608 -79.205 125.263-151.496 132.231 -83.550 93.333 72.888 101.696 -85.594 119.327 -64.933 140.441 -96.127 123.631-153.128 170.047 -73.434 126.323 -82.351 171.730 -73.067 125.851-154.956 135.807-117.615 131.787 -94.006 147.101 -23.754 117.305 -63.538 71.056 93.795 91.853 75.077 162.693-114.400 92.146 66.394 139.360 -69.772 92.914 78.627 91.483 -65.766 119.944 170.146 109.748 -85.450 93.954 60.684 0.000 0.000 96.446 -81.287 130.913 -89.498 125.784-156.857 137.693-104.270 122.000-166.948 166.342 -12.034 124.032-175.107 105.877-114.892 95.091 80.642 0.000 0.000 123.967-168.214 142.398 -16.262 125.475-165.904 123.034 -57.564 119.917-167.703 131.559 -99.491 127.281 -85.335 141.519-124.993 126.175-153.330 155.184 -67.287 127.963-153.239 148.811 -93.685 124.367 -90.518 169.066 -92.042 118.906 178.919 105.069 -87.403 91.514 97.097 129.480 -76.137 92.562 63.786 143.654 13.071 93.825 157.018 126.832 -80.611 93.413 -53.306 132.029 -76.393 93.824 21.349 130.631 -35.222 123.407 -68.505 176.511 -56.781 91.796 30.826 127.767 -76.658 128.942 -52.650 147.008 -22.218 121.884 -12.447 141.571 -99.897 91.712 -20.700 123.406 134.664 122.427 156.119 168.026 136.406 119.389-174.817 109.663 -48.091 115.477 -66.393 118.016-101.382 92.820 64.263 159.166 -14.259 112.778 -78.709 144.501-107.041 130.166 -91.373 0.000 0.000 127.867-162.215 172.880 -86.969 124.582-168.544 148.421 116.256 94.192 89.423 0.000 0.000 116.780-136.170 105.674 -89.175 93.628 66.937 98.461 -70.196 95.247 138.074 143.494 -76.204 122.959 163.409 143.394 -42.082 93.177 98.596 156.261 -24.436 93.362 -9.602 152.805-127.306 92.288 -78.666 126.225 -75.000 114.955-176.011 170.397 -84.225 92.891 104.157 155.968 66.249 95.295 26.859 112.102 -83.362 106.356 -68.649 126.462 -46.613 93.054 -19.425 141.908 -76.031 117.445-168.555 163.608 -0.422 128.851-109.420 165.329-107.558 118.323 0.000 139.885-154.869 # 126 total E -3.56016E+02 rmsd from N 0.000 %NC 0.00 112.920 -27.303 162.393 50.074 127.334-103.006 116.792 -82.384 109.345 25.589 136.144-148.664 91.654 149.298 130.533-112.143 93.800 85.024 121.535 -76.484 142.577 -82.238 126.978 -64.621 94.809 112.794 128.638-103.578 110.502 25.354 163.825-156.180 91.473 -72.167 108.258 -49.654 91.828 -17.072 140.202 -45.206 114.047-169.436 134.626 -71.655 92.766 58.455 129.039-118.746 115.763-101.096 106.419-103.736 94.851 118.178 0.000 0.000 125.917 -93.644 140.526 -81.706 123.037-166.228 140.822-101.763 114.423 98.995 174.640-162.766 111.214 -6.288 110.803-118.814 94.953 79.424 0.000 0.000 117.945-167.184 119.738 -75.839 126.398-171.399 124.301 -54.483 113.424-172.490 122.929 -95.822 136.542 -43.024 151.518-101.676 134.300 -68.229 158.917 -62.153 114.596 110.501 159.887 -91.432 93.999 3.511 164.397 -98.893 93.558 -85.098 141.967 173.252 92.579 2.095 128.928 -75.645 94.658 101.128 152.771-152.008 95.802 94.674 160.087 -19.723 91.056 129.593 130.034 -77.637 92.617 40.710 150.454-113.584 116.243-110.530 112.859-122.634 92.276 149.871 174.224 -83.183 92.841 78.182 95.861 -97.322 93.061 15.227 129.859 -81.919 92.710 -99.080 89.667 -75.585 104.814 152.640 129.248-124.341 91.867 92.550 135.097 -77.279 95.193 15.082 127.525-170.512 94.057 -96.002 150.987 -36.547 92.980 145.939 148.450-104.265 138.685 -28.442 0.000 0.000 128.254-172.125 170.173 -86.095 94.961 167.982 141.449-144.957 123.719 168.172 0.000 0.000 118.721 170.222 164.549-115.217 120.683 136.793 150.024 -59.911 94.627 -15.634 131.354-100.966 97.386 -61.189 159.277-123.609 92.152 46.475 144.112-123.439 123.832 -92.357 149.237 -12.040 91.777 67.175 128.648 -75.475 133.712-111.836 156.646 -96.976 123.791-173.326 167.372 -33.433 121.877 -74.576 130.022-110.893 121.621-160.324 176.452 161.084 125.256 -74.779 163.474-160.852 122.891-164.206 168.370 -73.400 126.972-118.733 138.621-105.837 118.162 0.000 145.986-164.242 # 127 total E -3.56008E+02 rmsd from N 0.000 %NC 0.00 126.134-143.193 127.729 -63.240 122.920 178.506 118.365 -82.593 100.196 -50.997 147.101-175.941 91.177 20.314 130.461 -76.669 124.618 -78.656 145.011 -87.707 128.747-136.000 117.861 -80.713 124.970-149.440 172.532 -87.060 134.271 -83.047 153.571 158.754 120.226 102.751 138.953 43.606 92.251 -24.679 151.843 -34.912 115.350-139.917 148.159 -76.945 127.630-158.327 156.481 107.754 114.753-160.402 113.592 -93.730 120.281 162.646 0.000 0.000 110.099 164.038 129.915-114.038 95.812 92.456 167.872-175.831 109.506 -52.014 157.559 -11.261 93.924 79.602 124.500-112.086 95.356 63.684 0.000 0.000 124.972-136.646 149.759 -29.946 94.621 47.076 176.220 -69.106 93.496 101.049 109.163 -55.216 137.262 -75.380 89.690 -97.521 91.873 59.429 126.313 -79.938 91.324 56.445 129.732 -77.488 92.791 78.516 176.432 -95.940 91.906 53.898 105.162 -74.837 91.414 175.179 128.894 -75.492 130.124-144.845 168.253-125.482 132.634 -79.646 168.770 -89.029 127.299 171.728 145.187 -77.050 92.762 55.703 137.308-136.235 121.767 -90.029 111.792 -95.254 121.489-160.491 146.946 -80.836 131.202-106.958 149.100 172.604 127.141-157.693 130.782 -99.604 123.100-165.520 124.542 1.275 129.586-103.828 144.287-162.303 91.416 61.243 129.322 -76.437 92.687 66.468 155.687 -28.667 92.029 81.305 148.156-108.969 93.214 24.135 121.808-114.368 109.993-135.393 0.000 0.000 110.789 -58.736 137.276-125.497 92.776 -26.664 90.992 -82.159 94.632 96.187 0.000 0.000 124.077-134.415 165.337-101.815 111.966 -31.144 174.531 17.380 114.859-155.127 166.570 -77.527 129.566 -83.633 162.147 12.586 118.601-159.834 157.486-151.617 125.112 -77.090 167.751-157.952 128.799-148.034 151.204 -76.399 117.957 77.186 167.316 -66.177 125.984-104.616 129.988-123.064 125.435 -80.765 107.619 -80.792 122.336-170.279 170.251 167.671 130.211-171.870 158.607 -24.973 115.329 179.470 168.148 -79.351 126.475-113.405 157.972-164.910 118.245 0.000 143.882-154.189 # 128 total E -3.55898E+02 rmsd from N 0.000 %NC 0.00 125.989-136.572 144.080 -86.380 125.560-155.437 111.219 -93.115 93.960 80.871 99.303 -67.158 91.825 -10.505 131.595 -77.078 112.236-111.045 133.978-135.956 94.447 59.750 140.705 -77.430 129.117 -40.402 134.089 -66.642 108.859 85.783 99.336 -90.647 123.177-176.455 154.801 -56.456 92.476 77.034 160.451 -16.417 114.859-110.734 123.320 -89.708 122.545 107.184 124.381 -98.087 115.893 110.844 127.840 110.664 105.651 -21.507 0.000 0.000 93.765 -56.873 142.924 -98.653 127.656 172.639 116.096 -90.312 92.614 114.352 144.303-136.855 132.427 -85.942 166.037 152.339 125.907 4.646 0.000 0.000 93.663 92.801 122.557 -34.463 116.873 -82.521 119.240 -76.152 117.509-162.935 170.696-101.710 130.120-161.651 166.451 -48.052 127.120 -70.646 109.294 -45.905 91.504 115.606 132.895 -79.068 93.372 82.038 141.613 -77.747 109.659-124.859 133.925 5.643 129.879 -79.067 169.396 -90.184 125.761-158.378 122.058 -64.053 128.873 -74.041 168.893 -88.243 109.114 173.440 146.120 -78.847 129.554-174.877 145.146 154.866 108.908 -31.006 133.656 -47.470 110.426-171.339 146.405 -78.013 93.226 91.533 157.577 151.024 92.033 56.722 127.389 -59.102 91.541-150.160 123.499 -51.274 93.626 74.992 84.562 -77.073 91.663 102.902 128.956 -76.232 99.999 -21.781 141.757-112.918 93.928 -73.008 157.653-146.670 94.154 172.687 144.268-104.521 128.073 173.514 0.000 0.000 94.433 95.188 137.598-105.705 120.668-116.328 143.197 -30.108 95.934 161.489 0.000 0.000 124.072-174.841 175.752 -53.091 110.171 -19.906 163.127 88.955 116.717-145.570 163.888 -86.191 129.060 -87.678 155.283 6.385 93.461 49.150 140.753 172.812 92.733 60.078 143.363 -32.828 91.554 38.806 130.384 -77.240 106.741 -88.820 108.606-129.163 114.016 174.073 172.830-129.845 94.160 72.614 134.710 -96.333 92.707 90.407 102.678 -84.676 93.424 5.126 162.896 -94.197 102.512 -87.024 169.149 -78.580 124.628-103.852 122.070 -80.587 118.905 0.000 130.731-149.143 # 129 total E -3.55193E+02 rmsd from N 0.000 %NC 0.00 112.582 -24.771 160.403 45.583 124.936-152.972 130.756 -79.570 93.128 68.503 101.920 -86.462 117.251 -74.465 137.522 -93.144 121.791 -80.432 171.759 -83.453 127.133-134.301 136.182 -84.376 140.156 -14.168 146.999 -55.316 109.145 92.164 144.554-145.178 92.052 66.332 116.763 -49.784 91.884 -42.618 125.436 -32.641 121.323-122.246 168.945 -70.453 95.324 89.819 106.073 -85.525 93.997 68.802 144.454 -46.018 145.033 -48.086 0.000 0.000 129.511-150.312 156.713 -83.856 126.495 172.326 138.017-101.435 92.650 46.604 105.615 -85.587 116.998 -87.981 145.726-107.405 93.521 149.543 0.000 0.000 92.804 79.879 176.432 -95.528 93.765 92.345 142.707 -74.416 93.430 3.639 116.271 -63.717 112.783-101.736 131.417 -96.725 126.476-108.467 136.187 -66.368 130.472-131.810 169.457 -85.709 130.700 -88.492 155.799 -85.663 122.016 170.190 154.748 -19.535 92.086 165.499 127.057 -76.117 92.627 60.191 111.162 -47.940 94.209 95.715 135.802-103.275 91.610 30.907 127.097 -76.782 116.868-170.713 65.782 -70.928 94.093 60.864 164.607 177.273 91.993 -65.389 130.035 -76.667 111.454 144.689 129.327 -73.018 93.226 126.424 143.976 -84.607 92.038 47.782 126.929-116.687 125.579-121.186 92.267 -96.421 132.476 165.431 147.446 -87.356 94.649 -30.269 128.146-169.638 93.699 -94.592 141.287-104.054 95.201 151.314 149.962 -55.773 130.437 -85.491 0.000 0.000 125.332 171.485 169.534 -65.658 93.014 -30.454 141.670-169.401 121.558-144.869 0.000 0.000 94.079 -14.743 117.522 -89.369 117.367 -85.939 104.638 -99.006 120.703-155.855 160.058 -5.294 129.321 -89.665 139.400-178.722 93.727 80.808 154.699 -22.367 122.899 -87.777 110.360 -73.273 126.275-161.490 147.170 -81.702 127.263-152.431 139.107 -96.321 126.183 -93.264 128.125 -86.675 124.861-162.900 161.688 -57.898 119.774 -59.258 133.508 124.857 123.175-145.836 117.618 -66.295 118.741 176.949 168.777 -85.690 94.990 67.329 112.407-126.075 117.593 0.000 135.680-160.462 # 130 total E -3.55030E+02 rmsd from N 0.000 %NC 0.00 111.296 129.806 159.151 71.782 95.148 84.792 125.639 -77.846 112.398 161.819 99.833 -82.078 120.057-174.296 158.920 -92.171 121.757 91.456 134.382-100.273 94.461 -53.190 108.771-106.045 123.731-158.289 135.217 -57.611 129.081 -88.824 127.681 142.008 116.625-173.428 95.630 -66.817 124.616 -88.071 146.957-121.615 118.143-103.366 163.001 -65.004 128.099-176.214 160.252-131.992 110.404 -64.958 147.731-119.033 101.113 -14.473 0.000 0.000 93.974 71.312 86.617 -84.743 138.617-112.548 128.663 -79.491 124.344-167.420 160.274 133.183 131.451 -92.162 128.017 -79.295 126.613-165.291 0.000 0.000 112.827 -25.937 134.805 18.319 113.992 -89.632 167.495 -67.328 94.555 41.579 114.775 -85.588 94.570 65.887 144.445 -74.549 92.404 70.559 150.556-131.906 108.807 168.701 143.660-102.880 124.421 154.879 166.824 -84.379 122.062 137.040 150.528 -25.194 91.915 -0.370 129.808 -74.376 124.619-120.404 122.137 -67.589 125.347-178.528 168.583 -79.891 91.829 48.392 129.756 -76.404 106.734 156.898 133.359 -95.025 127.769-111.263 139.765 -44.538 129.884 -96.928 136.906 -85.076 132.173 -94.933 155.923 162.088 128.690-140.816 154.255-160.534 118.179 -45.689 142.267 73.115 119.767-170.699 115.598 136.082 128.409 105.588 148.494 -89.280 119.369 -90.032 138.830-158.386 93.235 76.812 159.415 -7.488 114.020 -16.822 147.610-111.783 95.177-179.574 0.000 0.000 126.212-171.800 166.357-120.194 121.919-152.835 115.872 -90.359 133.733 -69.657 0.000 0.000 121.615 -92.240 136.299-107.894 143.563-163.422 150.435 -13.773 109.150 -50.705 133.190-108.644 112.567 -21.776 155.285 32.984 93.436 107.148 114.873 -86.283 93.613 17.498 147.225 -15.591 111.771 -99.553 148.763 -86.693 95.235 63.844 141.368 -71.687 123.106-118.720 106.097-102.199 136.076-179.632 158.351 -38.425 94.020 72.880 145.457 -99.720 95.760 -47.769 101.235 -37.080 122.406-162.130 166.950-119.096 127.821-100.241 173.582 -35.188 118.919 0.000 129.473-147.937 # 131 total E -3.54851E+02 rmsd from N 0.000 %NC 0.00 91.573 50.175 131.718 -76.438 95.274 148.445 114.937 -87.060 93.511 78.469 140.225-165.235 91.949 -25.877 130.293 -76.771 119.581-101.180 144.511 -88.424 126.030-162.892 126.808 -69.262 125.189-172.216 141.749 -93.282 120.619 165.198 138.795-142.806 92.740 55.171 101.522 -64.928 92.344 100.478 165.494 -12.490 91.945 -10.440 134.967 -72.664 99.664 -79.172 139.842-107.471 92.882 -19.761 164.871-140.659 117.057-164.329 0.000 0.000 116.426 121.821 146.717 -75.697 125.610-101.854 134.377 -90.550 123.992-166.202 165.032-178.946 122.611 -75.050 107.293-115.241 122.668 -14.426 0.000 0.000 121.285-109.651 132.817 -50.855 93.891 41.389 140.499-100.497 92.432 57.508 121.740 -91.193 93.568 37.820 143.828 -79.525 92.681 64.118 103.791 47.266 91.482 -44.092 130.724 -77.645 122.462 111.097 139.792 -56.946 92.678 125.875 142.768-164.405 121.304 98.806 134.723 -80.624 98.733 -16.811 123.466 -27.508 93.948 -66.331 162.240 -76.538 91.473 42.774 129.184 -76.105 110.947 94.936 151.633 -82.046 119.710 -93.283 119.927 34.746 111.469 -47.828 150.736 -81.710 120.087 170.019 139.906 -9.868 92.620 96.278 111.331 -71.940 118.685 -52.011 149.134-159.810 95.672 58.589 170.792 143.367 92.860-152.574 133.975 -76.646 110.047 160.805 107.918 -96.685 93.891 84.935 158.061-117.575 124.287 -86.845 152.770-162.141 125.864 -32.692 0.000 0.000 123.908 177.731 171.737 -75.064 93.012 -48.702 144.265-153.463 115.624 -23.735 0.000 0.000 132.164 -97.738 147.390 -78.432 115.181 -51.100 135.333 132.450 121.713 156.004 169.680 -83.766 118.830 140.731 96.538-104.137 93.322 108.554 152.521 -26.398 93.502 -16.950 146.609 -23.304 93.298 -85.147 129.516 -76.259 122.949-157.408 132.355-100.755 127.666 -81.147 170.081 -25.112 117.265 -22.146 164.288 -55.726 111.017-167.228 140.565-120.126 135.377-145.309 117.771 -46.206 121.905 -93.960 142.382-131.620 128.532-139.984 112.591 -69.890 118.915 0.000 129.624 138.617 # 132 total E -3.54275E+02 rmsd from N 0.000 %NC 0.00 91.551 62.455 130.415 -55.771 128.636 -92.002 136.948-100.203 112.942 -60.851 104.212 -74.132 91.608 79.184 155.266 -87.814 119.135-126.957 136.334 -76.649 125.383 122.820 168.481 -41.133 112.651-177.704 131.280 -86.778 128.450 102.910 137.048-144.212 118.829-103.155 135.716 -46.235 128.730-165.024 161.364-147.570 92.762 84.972 146.362 -69.681 92.742 86.946 118.292 -85.645 93.499 30.713 117.851-127.928 114.827-172.642 0.000 0.000 93.488 89.828 139.587 -89.108 95.654 99.642 143.833 -76.527 114.157 -84.580 174.774-159.042 120.204 -62.857 112.322-113.435 94.370 65.724 0.000 0.000 91.933 93.876 120.795 -32.920 94.460 91.286 115.353 -81.848 93.107 136.944 143.898 -75.521 128.413-172.096 163.134-149.644 92.581 51.093 176.457 -96.249 111.820 163.325 170.607 -89.777 119.041 105.124 133.182 -74.667 92.734 -17.917 148.936-176.011 92.442 -69.451 133.107 -79.103 123.816-171.578 133.592 -55.936 95.690 83.761 163.240-178.511 107.976 -52.058 152.856 -69.504 111.259 107.792 155.767 -87.446 122.059 -98.226 141.334 14.561 121.908 175.605 145.557 -77.955 110.852 95.748 139.655-138.338 122.564 -89.685 118.405 -94.841 118.551-174.904 128.747 -11.890 118.511 165.839 107.543-153.176 114.155 92.548 155.181 -96.091 124.551 -97.274 101.976 -96.494 121.960-149.768 166.951 166.861 117.909 145.922 171.318 -26.309 123.293 14.762 0.000 0.000 105.668 -63.489 165.456-149.138 93.124 50.286 93.834 -81.348 132.553 -60.773 0.000 0.000 121.428 178.986 167.363-124.303 112.255 27.452 160.281-132.838 112.047 162.709 167.332-112.599 96.184 -35.295 146.381-123.330 93.314 -54.073 144.710-125.185 94.740 -13.236 146.408 -23.519 129.048-160.001 146.933 -86.216 123.048 -72.851 117.198 -54.547 107.185 -44.889 136.411 -93.430 94.930 92.467 172.153 -68.092 92.904 77.295 135.713 122.430 118.675 -90.064 163.792 -40.366 120.587-171.388 168.889 -85.797 126.846-117.482 132.755-123.434 117.784 0.000 150.694-149.559 # 133 total E -3.53470E+02 rmsd from N 0.000 %NC 0.00 91.574 52.751 157.303 -35.083 95.021 81.645 137.778 -75.800 121.961 170.014 113.802-108.967 126.968-157.898 147.868 -93.143 124.306 -91.474 168.637 -90.172 126.733-150.690 134.570 -91.543 126.615 -89.384 138.769-116.528 127.456 173.840 150.510 19.793 92.614 65.792 109.130 -54.014 113.373-166.074 159.798 -22.748 111.909 123.650 139.549 -83.830 122.399-106.697 108.840 -83.421 116.916-161.976 120.107 -96.349 135.051-101.768 0.000 0.000 126.562-101.028 112.492 -80.842 123.703-152.963 137.641 -86.733 124.104 -91.593 155.865 154.667 122.521-178.419 112.328-114.308 95.058 98.981 0.000 0.000 125.010-107.622 138.460 -10.146 126.723-158.092 121.259 -61.807 120.248-168.146 132.449 -94.378 127.326 -82.586 142.018-127.635 92.881 62.128 153.951-139.870 91.691 83.605 151.417 -89.118 120.959 -91.604 166.950 -73.184 92.269 78.250 98.162 -75.766 91.347 53.548 128.421 -76.152 92.464 63.601 113.616 -41.918 94.065 140.543 146.956 -77.082 126.746-122.389 142.409 -80.025 129.812-178.568 161.034-163.872 93.194 84.206 141.720-124.748 124.226 -90.273 142.989 -79.360 124.894 -96.376 117.478 -91.672 93.273 46.311 154.103 118.078 91.901 76.350 122.409 -63.248 95.239 53.407 61.123 -71.938 93.674 -77.652 130.482 -71.899 118.995-142.857 128.200-142.174 120.478-160.754 155.989 -26.246 120.182 -69.539 175.684 -2.163 117.330 -27.725 0.000 0.000 93.234 84.230 136.828-112.493 114.337 -92.793 114.963 -84.195 137.619 -50.110 0.000 0.000 130.631-161.898 162.722 52.767 134.803-163.452 169.132 4.190 124.268-147.364 148.638-102.884 128.713-165.238 141.741 130.617 116.995 -65.358 161.626-170.380 94.227 -18.028 147.169 -20.998 92.837 93.753 129.554 -76.268 129.343-138.298 151.947 -91.576 125.375-166.147 151.648-126.477 135.222 175.716 154.223 2.267 103.088 163.231 104.677 66.776 130.454 -70.278 122.292 -83.366 125.324-154.280 137.304-117.557 128.032 -87.363 155.960 22.046 117.951 0.000 127.731-113.864 # 134 total E -3.52087E+02 rmsd from N 0.000 %NC 0.00 91.564 64.593 139.908 -75.176 121.976 -86.436 138.679 -90.672 123.227 117.831 114.082-108.172 124.894 -61.692 162.461 -84.533 129.097-160.659 81.167 -85.862 131.692 164.852 168.473 -53.752 113.989 -78.283 164.909-146.153 101.489 -4.380 162.266 45.644 92.547 83.843 112.744 -46.621 92.534 136.440 164.365 -90.706 135.729 -93.430 144.851 -95.278 125.322-176.601 120.505 -90.672 113.229 -68.346 159.713-139.640 101.100 -14.036 0.000 0.000 93.198 91.998 142.885 -92.709 95.207 159.542 144.250 -75.795 124.082-174.962 146.819 -97.961 117.371-157.886 112.156-120.210 115.600 165.727 0.000 0.000 92.934 81.121 130.881 21.726 94.422 54.802 142.218 -79.929 95.375 -64.214 160.061 -88.599 121.402 179.128 133.159 -84.235 124.373 -83.601 160.489 36.992 119.400 -88.102 141.383 -96.638 93.746 74.243 141.720 -75.377 118.757 116.304 98.861 -87.588 125.799 -96.310 176.410 -86.025 99.003 -28.819 122.997 43.217 94.563 137.029 148.414 -73.785 105.336 -60.786 114.862 -78.531 91.565 41.211 138.372-148.591 116.588-122.582 156.045-175.914 133.707-177.933 152.594 -83.980 128.886-175.272 127.829 123.944 125.039-168.243 131.563-124.411 125.901-162.071 125.396 -0.140 128.938 -86.465 110.181 -87.090 128.280-151.263 137.021 -86.973 122.026 -91.563 135.938-150.225 123.670-173.538 125.357 -84.999 112.419 -70.252 164.407 -5.381 95.259 53.453 0.000 0.000 125.489 163.873 65.664 -63.000 93.614 97.832 102.216 -73.185 104.882 -13.651 0.000 0.000 90.768 -70.322 112.944 -84.185 107.140-170.452 154.331 97.557 94.931 57.011 158.665 12.518 95.298 120.135 89.529 -71.831 130.906 -94.936 161.167 133.599 94.826 108.003 110.049 -72.832 91.992 6.047 129.571 -76.756 97.472 -82.381 139.008 -72.590 93.464 3.298 129.996 -75.735 95.315 103.249 146.394 -71.360 127.242 -25.919 120.827 104.649 134.413-162.643 130.623 -63.134 121.153-179.482 114.938 -46.284 126.568-118.661 136.307-129.074 117.617 0.000 152.557-152.204 # 135 total E -3.51231E+02 rmsd from N 0.000 %NC 0.00 125.625-145.307 135.194-104.652 95.250 79.807 138.893 -73.204 93.029 132.310 102.203 -80.638 119.316 -63.472 129.644-121.438 92.946 47.005 119.670-139.494 126.699 -79.997 166.839 -44.079 127.486 -73.545 120.382 -60.862 93.933 72.981 96.605 -70.362 92.598 91.310 109.538 -54.392 122.975-138.705 113.904 -95.512 122.631-167.138 167.269 -74.563 124.025-160.203 159.048 123.107 121.566-152.934 107.417 -96.260 131.932 -85.214 0.000 0.000 127.672-161.153 131.712 89.124 128.141-161.128 173.476 -63.009 120.926 178.733 167.929 162.139 115.135 -62.906 107.196-115.621 93.885 57.572 0.000 0.000 121.022 -92.075 141.555 -4.497 128.582-155.262 121.608 -83.906 122.433 -58.085 143.839 -88.734 125.202-137.766 115.911 -57.147 119.810 -81.611 117.256 -77.563 130.099-168.126 156.819 -92.296 117.579 -75.815 171.093 -93.481 95.260 -15.083 101.444 -85.632 92.532 105.301 129.826 -76.305 92.770 90.298 113.210 -30.370 125.251 -75.794 155.103 30.569 117.199 -9.115 132.676 -60.686 130.893-101.245 151.247 116.207 94.847 125.186 113.931-109.482 118.178-115.018 133.240 -71.257 93.044 50.603 94.502 -84.918 91.540 41.733 144.306-134.405 91.619 45.942 129.154 -89.036 94.239 59.685 114.763 98.253 92.528 -95.915 131.682 -79.212 94.750 160.873 126.570-154.653 92.914 81.848 143.477 -1.508 93.855 39.034 152.602 25.971 95.259 70.552 0.000 0.000 117.552-124.309 146.824-122.185 93.467 -21.389 140.547-121.281 127.237-142.186 0.000 0.000 128.966-107.417 170.178 -71.722 126.572 -71.551 92.026 -92.746 120.376-163.924 138.629-108.288 131.669-104.812 155.689 -10.391 93.350 73.469 115.202 -80.842 93.334 102.413 162.746 -4.033 101.966-129.776 127.451 -74.600 94.807 65.860 140.693 -79.283 126.788 -84.504 122.799 -73.890 120.269-162.819 130.088-105.212 133.692 -66.368 121.780 -80.102 95.356 -11.844 122.269-107.830 122.544-169.895 170.174 -57.063 126.975-115.279 137.596-125.472 117.940 0.000 148.599-147.072 # 136 total E -3.50891E+02 rmsd from N 0.000 %NC 0.00 125.069-116.018 158.904 99.784 129.213-174.421 119.119 -84.446 93.327 37.448 103.035 -87.918 116.509 -55.563 144.801 -94.783 118.109 120.751 170.812 -65.476 94.610 -2.203 139.675 -74.934 96.483 -79.037 121.232-127.479 119.516 -23.699 165.757 158.602 111.042 -94.843 116.185 -77.083 91.746 59.538 150.661 -84.333 92.171 60.938 142.099 -70.292 92.744 54.784 140.079-109.627 93.918 136.345 114.574-107.281 140.489 -62.107 0.000 0.000 96.846 -2.760 139.864-112.337 97.564 87.855 134.031-124.099 92.536 148.625 167.898 -27.309 102.051 -57.263 174.908-103.121 93.245 21.282 0.000 0.000 119.335 -91.134 137.923 -17.173 122.257 -86.815 111.150 -82.196 94.397 170.015 139.033 -70.105 94.797 70.396 167.827-120.851 92.523 82.020 131.235 -71.373 91.716 -30.634 156.553 -89.910 123.479-129.534 132.288 -68.489 121.212 -75.781 107.119 -83.095 141.712-162.566 150.512 -85.316 115.578 -84.846 136.586 3.609 94.221 58.785 141.876 -74.171 91.879 51.962 128.688 -75.625 108.601 -68.522 138.177 64.077 111.967 156.980 140.698 -34.144 91.722 95.253 130.201 -77.515 93.795 -2.436 160.994 4.148 94.024 -83.823 135.514 149.940 113.106-174.312 141.604 62.203 132.330 -89.653 130.785 -19.269 127.237-175.592 129.568 -78.034 122.626 23.913 176.444 -23.758 94.273 84.220 154.114 -23.605 119.205 144.524 125.052 -94.536 122.854 154.901 0.000 0.000 113.979 171.421 169.185-104.225 94.017 104.837 98.426 -81.015 134.486-113.845 0.000 0.000 126.368 -85.048 172.894-118.519 126.886-147.873 148.934 173.662 126.266 -83.316 135.892 -99.584 126.053-168.545 157.103 12.812 119.023-179.714 159.953 -11.351 92.655 71.441 143.875-107.122 91.323 71.530 128.930 -76.188 94.106 69.008 142.152 -74.481 93.082 -50.958 134.220 -86.042 124.221-168.657 165.108 -59.966 111.448 126.860 167.109 5.140 126.181 -93.940 123.591-109.943 123.396-166.839 168.931 -71.663 126.418-119.873 168.444 -82.894 118.586 0.000 140.281-171.385 # 137 total E -3.49663E+02 rmsd from N 0.000 %NC 0.00 125.223-115.588 160.470 82.924 128.831-117.570 136.688 -84.946 122.066 19.261 118.177-114.260 120.128 -83.157 129.201-103.518 111.931 91.763 171.761-114.327 118.373 -75.356 148.920-103.834 123.002 -58.693 145.926-103.480 92.836 94.849 120.193-131.755 90.971 64.193 99.739 -98.337 91.520 94.169 112.917-103.161 97.705 -40.551 115.959-103.778 95.850 79.972 139.353-108.570 112.663-128.588 139.363-114.657 120.221 170.717 0.000 0.000 125.336-161.728 133.264 77.423 125.415-153.407 141.361 -96.581 123.719 -91.685 175.716 -5.292 122.899-173.284 114.640-109.582 127.425 169.659 0.000 0.000 121.263 178.506 145.060 -18.562 125.885 168.998 165.983 -92.334 94.752 91.337 145.000 -75.156 132.848-114.863 86.000 -72.345 121.094-124.257 137.463 96.649 134.186 -66.245 147.647 -98.273 147.287 -45.138 57.367 -63.798 119.176-155.861 157.821-146.380 129.913-178.793 163.585 -96.402 105.115 138.728 122.660 -35.496 113.967 -43.062 131.357-135.807 91.345 18.296 129.681 -76.434 121.877 -87.102 152.249 -66.478 126.092-164.282 135.401 -65.657 127.307-167.104 166.791 -87.494 113.486 23.346 141.299-136.014 92.677 161.080 135.309-146.642 118.180 53.426 145.525 65.381 130.979-133.669 122.278 148.481 120.251 -69.091 147.038 -90.911 93.903 76.708 117.853-149.657 91.371 133.943 154.782 -23.855 135.016 176.299 109.358-105.296 93.997 111.867 0.000 0.000 122.675-120.178 115.762-100.922 124.222 -91.168 144.591 117.277 96.254 27.712 0.000 0.000 95.686 57.970 138.578-102.636 137.182 159.099 119.099 -74.601 95.064 88.873 96.353 -64.350 133.308 -99.034 167.676 127.360 123.435 170.660 118.841 -88.599 93.520 -52.560 145.581-101.893 92.105 -18.803 129.525 -76.232 126.310-146.475 119.127 -62.847 92.887 63.326 120.030-103.841 125.735 159.836 129.761 -94.276 118.363 160.993 159.221 -1.871 123.987-179.277 130.497 -83.042 121.515-165.026 165.426-110.285 133.179 -72.959 136.730 -67.041 106.040 0.000 81.735 -84.429 # 138 total E -3.48502E+02 rmsd from N 0.000 %NC 0.00 111.622 -20.151 158.142 69.572 122.992 -61.338 133.047 -97.101 98.991 -31.627 103.390 -85.247 91.364 95.037 130.075 -76.333 124.695-150.561 165.426 -79.368 94.890 3.953 124.136 -56.512 130.807-118.493 128.630 -50.921 118.215 -57.858 81.320 -64.645 112.100-159.435 102.055 -63.489 129.687-121.079 169.433 5.967 93.609 32.097 136.071 -69.818 119.476 169.104 165.874 161.280 89.866 -60.964 135.470 -49.758 96.063 -51.649 0.000 0.000 92.978 87.296 141.688-101.479 95.913 49.999 125.107 -93.614 104.913 -63.078 156.069 -30.347 125.534-140.460 124.249-108.777 126.104-177.414 0.000 0.000 126.742-170.280 130.372 -44.192 122.739-164.877 131.939 -92.031 128.476 172.546 135.399-111.264 94.455 60.365 140.109 -74.536 92.509 155.764 117.588 87.135 91.549 84.000 128.935 -76.919 93.057 65.057 136.169-106.368 93.394 -49.804 98.257 -82.056 122.312-148.146 146.628 -76.697 129.634 -93.259 145.449 -7.402 124.659-129.831 135.874-125.622 131.956 -80.842 148.936 -79.297 92.230 67.873 138.544 -67.984 91.775 89.469 83.491 -41.300 91.677 52.626 131.408 -77.364 127.797-158.276 150.347 -12.824 119.305 178.321 145.561 -91.502 113.108 106.945 155.092-137.543 120.466 -81.393 129.075-112.714 92.710 -58.370 129.663 -76.209 94.050 141.170 140.177-175.473 92.917 116.867 166.594 6.313 114.986 2.021 97.288-105.307 126.471 -95.189 0.000 0.000 93.382 80.220 136.010-102.511 93.383 166.033 91.524 -87.192 124.250 46.676 0.000 0.000 94.482 86.501 169.859-121.806 110.427 135.398 101.723 -50.977 123.143-101.943 164.901-160.311 131.685-104.228 152.315 18.105 94.236 99.320 147.457-133.043 93.646 -37.336 147.874-127.096 114.006-179.065 145.135 -81.807 132.651-178.681 175.040 -63.848 93.018 103.133 139.976 -84.017 126.953-106.084 118.814 -73.016 125.583 -92.865 166.738 152.212 126.699-156.602 116.984 -61.765 120.703-175.622 130.720-104.437 127.005-116.212 140.137-122.989 117.958 0.000 148.700-151.918 # 139 total E -3.48170E+02 rmsd from N 0.000 %NC 0.00 125.590-107.584 148.754-105.198 95.392 79.927 124.163 -90.588 123.335 170.208 112.920-106.486 126.276-161.998 146.189 -87.599 125.987 -79.934 151.834 -88.183 93.418 64.971 140.545 -74.263 94.106 96.175 136.123-108.572 95.527 49.330 92.983 -87.913 95.139 -83.612 113.746 -38.443 92.054 -29.576 174.039-161.814 119.132-174.542 166.550 -84.175 111.811 99.199 138.213 -98.352 114.018 174.188 161.080 -64.075 95.030 83.684 0.000 0.000 93.008 19.340 136.578 -89.897 117.089 -86.813 110.364-102.468 117.019-160.787 164.354 -11.808 131.237-152.175 103.797-103.621 131.588 -93.988 0.000 0.000 116.524 86.597 137.790 -19.486 117.242-146.388 135.721 -82.095 131.940 169.306 172.368 -58.236 126.741-151.724 156.145 47.045 128.854 179.576 176.710 153.278 109.666 151.645 148.981 -81.618 93.953 54.879 134.135-137.513 123.608 -83.840 155.479 -15.257 125.024-155.324 144.897 -80.635 124.789-172.275 136.417 55.355 95.093 78.107 119.230-104.294 91.672 117.754 130.437 -76.135 135.420-101.150 154.708-109.978 130.265-151.674 150.980-148.514 91.972 -30.889 140.277-102.443 105.825 -81.975 167.873 179.029 92.078 60.494 118.237-117.317 92.451 57.461 127.627 -85.697 122.393-165.230 124.692-132.774 122.144-137.249 142.090 -73.906 92.944 56.215 103.545 -89.272 92.491 69.781 157.158 -12.701 93.616 55.088 144.392-104.927 94.638 78.173 0.000 0.000 103.886-174.011 139.630-100.114 93.312 29.170 139.816-129.811 123.624-160.241 0.000 0.000 123.584-162.413 167.752-123.830 121.053 -47.055 167.614 20.725 120.034-148.964 141.794-108.762 132.203 -93.349 151.930 -19.186 120.667-137.873 160.960 -24.445 92.536 64.966 118.101 -76.484 91.389 85.378 129.183 -75.996 94.856 107.879 162.791 -39.847 123.793-109.389 142.417 -84.776 127.393-122.960 130.484 -84.187 130.313-138.464 157.412-141.016 122.116 -70.946 175.156 -68.728 128.222-139.588 129.019 -68.160 95.239 70.232 100.770-100.633 107.090 0.000 112.023-125.977 # 140 total E -3.46762E+02 rmsd from N 0.000 %NC 0.00 112.504 -24.927 160.652 57.956 124.317 -80.666 132.715 -92.180 116.762-140.430 101.771 -79.777 125.638-176.180 147.097 -90.885 117.229 107.152 143.158 -94.020 124.263 168.406 156.730 -39.995 116.262 173.982 141.401 -87.477 93.407 80.484 123.314-129.514 91.889 47.554 108.644 -67.354 92.255 85.847 148.850-119.000 91.915 3.359 120.095 -81.165 104.761 -91.113 163.025-145.091 92.612 -27.504 141.156-107.517 112.834-165.516 0.000 0.000 115.986 119.802 141.705 -89.843 125.590-101.013 133.937 -89.996 123.568-164.034 164.823-175.700 125.406 -81.735 109.497-114.642 125.686-158.617 0.000 0.000 125.817 -99.970 140.468 -4.416 127.324-154.317 128.233 -77.532 125.716-150.664 141.175 -82.319 124.064 -43.733 172.702 -69.951 122.254-111.149 131.119 55.543 134.858-163.425 144.984 -84.611 91.913 90.176 136.829-125.871 92.108 92.825 99.847 -75.154 110.224 -59.366 136.770-100.112 92.519 73.055 116.679 -38.824 94.738 31.082 142.393 -74.625 91.899 75.086 128.916 -77.597 91.699 21.968 154.565-168.356 105.316-102.631 123.194 -33.801 119.239-156.328 123.558 -64.538 131.570 -90.638 147.651 152.298 110.639 102.775 137.230-140.428 91.739 55.772 127.568 -51.864 115.319 -47.954 133.124-122.378 115.267-103.370 145.592 -79.497 93.289 87.714 110.937 -96.527 93.600 140.099 145.687 -96.566 115.581 154.503 148.380 -96.590 94.793 143.568 0.000 0.000 127.299-166.994 167.927 -94.742 93.107 20.529 136.748-130.993 118.979-123.196 0.000 0.000 129.567-104.960 173.831-108.937 126.591 -65.335 121.060-109.362 115.782-175.403 170.648 -96.504 131.762 -92.241 149.732 27.974 115.990-126.908 157.688 -25.883 93.036 59.946 146.356-104.333 92.121 76.182 129.260 -76.004 96.050 -69.160 92.965 -66.297 94.471 -77.924 133.344 -89.216 120.057-155.066 146.131-128.404 131.705-129.159 148.177 -16.899 124.626-111.731 129.277 -83.129 131.287-174.105 114.980-107.406 126.692-121.660 112.516 -64.278 119.023 0.000 136.009-178.187 # 141 total E -3.44502E+02 rmsd from N 0.000 %NC 0.00 125.222-116.459 166.986 -65.490 128.056-100.622 134.329 -68.892 112.841 -74.707 149.211-169.570 104.360 69.275 153.610 -86.222 115.776 -77.770 169.579 -77.705 125.554 -20.883 149.028 -86.547 95.177 118.397 125.386-118.591 122.621 -12.367 88.552 -78.680 127.584-121.142 129.716 -47.800 126.437-165.819 176.470 176.485 93.295 62.320 140.527 -73.386 109.018 149.011 117.691 -87.330 119.464 -69.396 150.416-166.664 123.937 -30.948 0.000 0.000 121.447 163.606 173.684 -24.050 94.881 98.209 161.737 -74.048 120.351-108.795 132.970 -97.562 125.889 -86.558 108.823-115.649 124.129-169.621 0.000 0.000 125.246-146.762 134.504 -13.014 124.540 -92.480 125.537 -91.970 94.815 87.726 140.876 -74.272 130.333 -90.305 126.865 -87.549 121.252 -89.416 169.054-137.279 91.482 48.412 130.502 -77.252 92.047 45.958 143.927 -78.287 91.172 49.505 135.179-157.484 90.787 47.014 126.587 -75.291 91.339 42.596 108.635 -52.800 93.013 50.362 143.360 -73.388 90.998 68.157 127.924 -76.283 91.647 41.510 108.623 -80.021 108.024 -92.118 121.299 -67.484 125.522-169.838 145.469 -84.557 110.855 -17.635 144.187 140.452 110.254 -72.087 144.774-154.619 92.302 -17.092 133.891 -85.910 94.332 114.829 138.867 -93.196 91.547 125.257 128.665 -76.025 118.329 37.424 171.374-159.699 94.322 -54.371 165.854 -39.838 94.621 -26.524 163.335 -24.719 95.825 93.871 0.000 0.000 126.031-123.365 131.888-100.389 93.403 -28.460 91.775 -82.719 118.231 97.688 0.000 0.000 124.226-170.635 136.785-115.899 93.338 89.811 130.144 -68.265 94.892 112.787 132.247-114.831 128.105 -97.829 165.176 178.907 120.619 173.740 159.820 -8.490 93.658 82.142 143.176 -99.497 91.896 -49.229 129.132 -76.224 123.603-169.254 133.890 -49.828 92.437 65.335 126.258 -85.884 114.325 160.914 118.563 -71.421 93.636 68.175 105.436 -83.280 118.970 159.947 168.073 -13.452 93.585 84.905 142.770 -74.557 95.203 63.981 108.592 -84.621 116.944 0.000 145.757-159.558 # 142 total E -3.44449E+02 rmsd from N 0.000 %NC 0.00 126.121-135.880 142.830 -66.567 118.361 86.208 133.121 -89.807 121.747 165.570 104.172 -99.131 138.396 178.709 171.815 -80.996 117.944-174.281 173.273 -96.416 129.077 -88.341 162.659 25.087 128.709 -79.823 125.382 -62.700 128.158 -15.915 173.628 23.764 92.166 158.356 135.940 -84.615 92.085 -2.549 124.378 -89.006 117.069-121.191 136.992 -88.840 114.856 -64.511 165.566-152.139 93.129 -23.377 158.527 -43.499 94.887 103.744 0.000 0.000 119.561 165.189 157.422 -68.469 94.692 115.558 160.561 44.896 123.011 -55.989 135.768 -98.307 93.387 79.419 103.639 124.964 94.205 99.851 0.000 0.000 126.357-134.167 134.000 -39.135 94.592 64.240 105.819 -75.135 126.342 164.322 162.642-121.953 94.733 80.581 134.329 -97.885 111.204 -67.992 92.207 -38.484 115.521-172.275 139.365 -82.470 92.830 61.753 127.871 -96.802 92.398 77.576 147.443 -25.294 91.668 -45.125 128.138 -76.644 113.239 110.931 141.673 -39.674 94.720 60.079 162.948 -43.816 112.872-124.850 143.624 -74.001 122.939-144.615 157.399 157.875 93.155 76.321 133.643 -46.282 110.267 -57.836 143.527 -82.208 93.207 93.588 130.050-143.213 92.427 75.333 130.454 130.449 91.550 17.177 166.865-122.257 107.728 -88.913 86.198 -84.329 117.874 156.807 134.318 -84.287 117.250 15.329 140.584 -27.675 94.855-176.877 146.886 -39.168 110.118-163.704 136.858-128.303 145.216-109.651 0.000 0.000 94.698 65.020 137.029-111.414 94.155 145.240 93.390 -79.394 138.332-171.164 0.000 0.000 93.822 -9.129 115.663 -96.336 115.204 60.016 75.279 -57.604 94.364 177.413 163.395 -46.103 140.103 177.502 155.672-148.474 91.511 -4.734 130.824-106.530 108.461-113.339 108.479 -78.825 121.375 178.995 138.470-105.979 95.139 49.679 162.332 -45.108 92.262 49.082 173.630-156.855 93.382 45.305 135.531-103.206 92.516 48.792 121.831 -77.944 93.533 65.888 128.823-115.825 92.796 82.396 143.379 -73.239 120.024-118.031 107.784 -96.825 118.557 0.000 140.608-170.450 # 143 total E -3.44414E+02 rmsd from N 0.000 %NC 0.00 91.576 59.186 135.349 -74.709 130.182-173.943 137.281 -78.922 121.921 67.017 109.467-102.460 92.081 -8.018 134.251 -77.967 118.485-109.231 171.082 -78.108 133.218 11.581 130.640 -79.145 95.639 13.394 137.549 -72.346 113.527 82.676 129.064-123.265 133.029 -30.780 166.895 131.402 133.068-136.672 176.440-163.139 93.061 2.372 137.776 -70.167 121.755 -99.932 162.538-138.319 93.645 63.866 131.545-125.378 115.203-177.201 0.000 0.000 92.930 84.179 145.488 102.841 94.286 53.119 138.183 -69.960 93.076-164.049 164.313 -23.467 93.288 1.347 99.683-118.176 126.892-144.415 0.000 0.000 121.996-108.469 145.966-120.494 126.269 178.652 160.793 5.997 123.052 -75.550 169.736-109.168 115.571 -50.662 111.491 -87.612 118.437-153.261 153.861 -87.826 134.332-156.474 155.314 -95.029 123.137-112.610 170.672 -80.018 93.483 72.501 99.386 -84.710 121.855 -59.056 139.338 -88.206 92.725 89.528 113.470 -43.864 94.735 112.465 133.784-100.322 121.282 -98.090 161.001 -87.872 123.425 177.665 151.433 111.990 92.686 91.722 138.441 -81.185 91.459 93.747 129.939 -75.871 92.848 99.887 163.961-165.162 93.638 -4.744 123.377 129.302 93.452 -93.513 150.257 163.977 117.260 -83.160 128.790 14.645 122.764-160.460 155.888 -89.665 94.565 101.471 152.250 -25.005 121.361-104.752 105.109 -82.588 93.571 74.204 140.775-108.067 94.408 91.801 0.000 0.000 116.556-110.295 126.992 -91.978 112.475 -68.231 139.218 -17.694 94.799 167.252 0.000 0.000 121.277 95.800 163.328 163.134 120.616-124.081 154.958 101.557 128.283-155.939 168.661 -95.132 134.788 -92.530 161.987 25.858 124.049-103.970 165.913 -18.704 93.733 99.752 117.183 -70.770 131.315 -82.586 147.016 -85.768 95.066 83.772 142.234 -74.276 112.723 157.649 141.990 -68.899 120.162 135.138 168.375 -57.351 93.576 48.413 127.648-116.036 114.151 -75.106 135.372 -91.801 124.053-111.183 149.328-129.847 130.632-114.504 129.208 -80.675 117.951 0.000 147.400-152.093 # 144 total E -3.44134E+02 rmsd from N 0.000 %NC 0.00 125.299-118.151 161.661 84.017 127.784-106.762 136.852 -91.609 92.825 81.780 98.742 -78.815 91.446 113.144 133.288 -78.937 93.188 40.421 139.822 -76.291 123.411-163.621 138.982 -65.656 124.096-115.496 109.023 -66.548 119.200 -21.720 128.988 146.847 128.298-117.394 118.347 -54.247 126.237-163.996 173.291 177.311 92.025 72.348 144.704 -74.402 92.599 77.238 125.980-114.548 93.687 30.326 127.234-114.299 124.333 -42.501 0.000 0.000 118.840 140.581 174.280-105.953 125.385-106.707 167.186 -39.584 127.696 -81.077 155.947-170.899 119.542 -56.993 108.415-112.581 113.941 -7.668 0.000 0.000 113.895 158.045 135.275 -46.942 135.049 -75.969 134.713 -68.713 119.155 -42.459 119.538 -64.360 95.577 95.696 142.147 -82.462 118.611 -71.228 158.095-115.011 124.976-148.646 134.075 -84.028 128.136 -84.288 142.436 -86.981 125.351-167.420 103.532 -92.172 130.845-174.447 176.196 -84.385 92.267 48.198 121.072 -36.351 113.856 162.883 161.744 -59.823 91.897 38.498 131.697 -81.347 121.777 -84.773 143.850 -89.926 126.705 -86.415 150.703 169.303 120.219 -93.252 153.122 -75.763 94.514 8.715 99.635 -75.381 94.408 86.102 141.418-135.990 124.631 157.631 157.066-171.242 113.205 128.216 102.528 -76.949 124.785 -92.563 144.050 -75.314 93.434 93.774 109.926 -96.047 92.016 98.419 145.839-100.922 94.160 57.295 150.372 -32.973 124.310-120.225 0.000 0.000 125.699-120.793 164.842-125.670 127.268-163.726 104.007 -80.915 133.343 -76.157 0.000 0.000 122.955 -74.302 167.633 -96.442 127.261 -60.031 96.373 -92.677 124.990-156.232 131.766 -63.877 127.727 178.577 134.347 164.457 119.125 172.373 118.274 -84.208 93.511 80.122 109.738 -76.007 111.393 139.792 146.629 -88.703 125.125-110.900 112.001 -49.568 117.285 -76.705 129.600 -95.136 125.433-149.473 133.955 -72.416 129.706 -96.555 157.609-166.864 126.918-147.824 139.377 -87.622 124.254-105.452 168.982 -76.840 127.041-119.283 139.461 -91.315 118.525 0.000 142.307-170.090 # 145 total E -3.43541E+02 rmsd from N 0.000 %NC 0.00 126.145-131.286 147.588 -81.928 128.400-139.303 174.357 -18.429 125.069 7.873 112.392-105.912 91.363 116.504 151.884 -79.688 93.338 9.711 169.872-130.774 95.295 -94.763 162.379 -41.862 92.657 48.708 135.528 -91.393 122.746 -50.403 69.882 -75.804 112.535-147.383 107.374 -61.773 128.897 171.037 165.604 7.019 112.266 105.731 142.176 -88.295 124.148-112.878 110.946 -78.989 93.840 57.926 148.197 32.533 94.586 76.773 0.000 0.000 92.836 115.518 87.506 -69.321 123.470 -97.636 140.921 -94.065 124.789-159.599 153.041 140.945 121.109 -68.457 108.689-114.475 124.319 -22.018 0.000 0.000 126.526-150.189 139.009 -9.613 124.782 -75.172 128.973 -66.916 119.354-173.853 119.081 -74.014 123.362 120.400 129.167-119.665 126.556 -96.473 106.222 -50.479 125.214-159.552 144.870 -86.520 124.872-163.049 147.047-120.148 117.829 -67.591 111.149 -84.957 91.484 64.167 129.489 -76.148 114.603 168.233 142.401 -13.806 126.225 173.115 145.399 -85.563 91.880 72.204 129.632 -76.272 123.393-111.009 150.420 -61.068 125.363-157.238 148.821 -66.888 126.260 -84.676 147.573 -91.313 126.578-165.504 151.235 140.270 128.338-146.591 130.873-111.059 120.879 -78.002 146.136-110.026 119.902-148.789 148.050-119.535 127.237 -68.102 144.377 -87.288 94.025 -40.132 118.238-135.002 118.377-176.459 123.762 -86.305 120.135 -69.730 158.029-142.744 122.750 -24.823 0.000 0.000 123.958-170.620 168.248 -88.320 111.169 -58.143 105.961 -78.959 93.901 68.838 0.000 0.000 115.625-165.491 106.921 -75.370 114.876 134.337 131.659-100.262 123.465-101.745 139.860-113.177 145.184 -66.230 168.443 155.149 124.630-152.828 119.362 -88.661 117.812 -62.805 169.944-163.488 92.262 -21.297 129.559 -76.304 95.844 90.067 141.986 -73.274 127.770-139.096 167.450-124.420 123.966 -95.910 172.104 -70.190 124.886 -36.751 89.145 -92.715 94.105 82.458 130.167-122.169 93.184 74.244 140.511 -74.393 121.934-127.755 109.957-114.985 118.499 0.000 140.456 154.265 # 146 total E -3.43330E+02 rmsd from N 0.000 %NC 0.00 125.977-125.351 155.284 -83.664 129.826 -94.649 126.885 -86.772 110.142 108.505 151.622-171.348 92.114 73.155 153.315 -89.256 124.230 -96.068 102.549 -50.304 112.356 -71.922 124.165 -90.151 93.879 57.698 142.328 -75.440 119.818 136.717 120.577 131.438 95.553 1.023 163.596 -32.840 93.539 -82.310 142.049-140.873 94.484 -3.212 139.368 -69.129 95.232 96.210 139.598-117.384 94.340 48.456 151.851 32.411 95.016 75.748 0.000 0.000 92.237 113.887 139.421 -91.410 120.158 -8.746 149.782-113.085 128.498 178.213 125.159-108.034 116.642 -28.386 112.209 82.663 128.452-107.908 0.000 0.000 129.686 158.953 143.552 -7.334 114.345 14.051 123.438 -81.225 115.722 -65.318 166.097 -57.788 95.596 -7.454 138.251 -74.508 95.004 121.786 142.020 92.154 91.973-164.678 130.665 -75.950 122.887-120.860 164.590-129.883 92.868 13.380 140.086-127.151 92.372 85.697 126.673 -74.259 131.876-108.445 141.834 67.217 122.408 -78.193 129.679-106.299 129.340-166.138 147.755 -82.054 126.071-110.186 153.019 -32.981 126.855 -83.135 106.639 -39.879 125.125-154.023 145.015 -79.848 129.882-119.345 143.605-158.954 126.434 -90.649 137.201-110.011 123.140-169.927 147.478 -30.192 93.820 77.371 127.922 7.260 121.015 174.372 140.117 -85.214 93.479 72.742 154.141 -12.949 92.753 92.980 145.637-106.349 94.021 47.258 137.487-106.118 123.090-170.093 0.000 0.000 123.394-175.884 168.685 -97.316 111.620 -74.198 98.498 -79.082 94.491 29.518 0.000 0.000 122.845 174.362 173.521 -87.129 93.514 68.889 171.010 165.482 121.263 172.371 139.946 -81.790 127.240 -76.234 139.003 168.815 94.278 -10.534 154.941 -23.897 94.231 95.895 145.043 -20.489 91.830 121.799 128.848 -75.570 123.422-104.816 172.621 -68.826 124.491-140.523 136.903 91.944 128.358 -93.334 132.323 -82.752 92.873 66.333 130.712-119.454 93.266 72.446 119.195-101.838 92.614 75.174 159.585 45.067 122.628-117.891 112.437-103.826 117.609 0.000 154.483-138.688 # 147 total E -3.42261E+02 rmsd from N 0.000 %NC 0.00 109.927 -10.697 161.599 37.209 95.385 142.897 120.653 -81.604 95.236 -5.455 139.680-164.616 92.354 -69.485 139.457 -97.364 91.568 22.747 165.438-106.870 116.147 -64.114 128.467 -74.658 120.670-166.183 135.418-105.722 131.196 -89.402 82.211 -91.071 119.930-156.936 111.824 -55.455 123.888-171.097 156.195-137.057 127.484-174.778 172.002 -64.944 111.661 154.257 144.760-102.756 103.282 -60.792 132.676-119.480 92.824 40.466 0.000 0.000 116.881 -90.953 105.899 -82.246 125.116-173.920 144.438 -83.839 92.738 109.742 139.876-170.251 131.158 179.308 146.024-123.112 120.821 177.931 0.000 0.000 127.481-175.761 150.396 -22.495 122.585-162.039 165.885 -83.353 128.085 -88.175 167.746 -11.349 126.810-150.552 127.042-114.537 126.706 -88.054 139.899 -69.730 126.964-163.415 150.856 -97.505 124.005-179.959 168.178 -64.625 94.797 164.654 139.437-140.870 125.491-169.801 145.656-105.117 124.974-144.110 150.615 -10.378 126.913 -78.989 116.766 -55.594 123.342-144.989 162.500 -78.623 127.263-133.765 138.910-128.470 133.902-102.147 136.972 32.234 92.015 105.083 129.885 -76.445 123.436-142.176 129.265-125.212 124.636 -63.504 146.751-133.580 91.982 -26.304 117.386-101.637 93.476 109.380 137.470-138.959 91.713 127.969 130.265 -76.404 86.852 -46.897 150.935 -10.810 91.827 -56.307 149.019-102.350 93.949 124.705 145.821-105.283 138.410 -85.316 0.000 0.000 123.224 -16.726 128.010 -90.021 122.517-129.745 100.606 -79.108 118.847 175.634 0.000 0.000 121.258 115.550 127.948-107.368 94.716 -48.282 94.712 -34.427 92.600 -23.072 145.910 -73.351 137.543-125.290 131.074 -93.537 117.333 -94.606 115.005 -93.131 92.705 51.252 145.947 -22.729 91.634 67.728 128.491 -75.624 93.094 67.836 144.580 -76.142 92.026 29.237 126.591 -61.209 99.937 -85.378 87.469 -87.877 120.382-170.398 114.723 -85.944 130.118-162.224 116.693 -87.908 116.997-177.841 167.818 -54.973 127.380 -98.763 133.569-140.730 117.991 0.000 136.742-124.453 # 148 total E -3.40807E+02 rmsd from N 0.000 %NC 0.00 125.283-121.998 161.744 73.313 126.775 -83.322 143.711 -80.848 113.277 -65.295 135.510-145.875 91.593 79.201 152.969 -68.634 122.317-121.781 147.490 -88.429 127.516 125.693 92.738-101.018 94.591 58.415 167.137 -93.177 122.822 -32.161 74.143 -69.491 92.822 163.751 104.904 -56.488 92.259 105.198 105.860-103.802 91.285 122.106 112.538-103.178 84.958 -53.069 127.089-103.793 94.620 -29.136 89.136-156.616 127.612-152.613 0.000 0.000 115.201 112.191 156.296 63.903 93.732 -13.325 141.272 -75.556 92.804 -77.074 144.503 100.781 114.547 175.542 118.705-117.861 123.934 18.655 0.000 0.000 118.024 172.441 145.810 23.936 94.573 70.108 145.795 -74.797 95.075 55.837 141.976 -75.553 124.620-153.683 141.865-105.168 119.834-179.264 82.363 -44.334 91.644 60.028 128.794-126.491 128.200-121.443 105.643 -63.860 110.526 161.819 147.376-139.452 91.941 79.131 130.516 -77.733 126.476-105.521 141.519 11.083 125.138-177.307 135.108 -85.264 114.241 96.354 145.518 -83.574 125.969-104.654 150.978 -74.580 123.786-172.008 153.180-108.879 110.916 82.962 155.813 -85.683 117.842 161.670 176.456 166.725 92.435 61.043 130.013 130.940 91.621 86.714 99.984 35.499 93.148 38.852 90.653 -82.539 112.983-105.676 144.176 -95.664 114.132-169.039 134.430-148.553 124.769-164.790 131.111 -87.793 94.129 109.111 164.513 -40.966 110.073 -7.744 0.000 0.000 93.725 -64.255 142.797-130.582 93.487 -16.913 95.107 -80.250 95.021 95.893 0.000 0.000 122.406-133.095 171.029-119.581 108.822 -44.400 145.880-105.987 94.530 0.442 160.641 -73.471 133.706 -82.034 138.177-136.922 121.450-160.232 121.279 -89.321 123.422-168.021 148.368 -18.631 127.616-158.700 147.734 -82.477 122.221 -71.438 106.738 -84.711 92.817 -5.773 131.590 -93.501 129.071 -93.105 173.583 -49.737 123.225-170.884 112.489 -77.739 121.296 175.563 119.329 -97.425 113.425 99.168 124.196-121.635 124.141-123.758 142.521 -92.566 118.324 0.000 143.420 167.207 # 149 total E -3.40780E+02 rmsd from N 0.000 %NC 0.00 125.187-128.365 165.504 62.616 126.762 -70.781 171.117 -65.954 117.290-140.962 142.478-154.333 126.973-177.631 153.299 -81.392 93.585 0.414 105.509 -79.921 118.415-116.201 111.412 -79.295 112.138 133.551 162.889-122.139 114.400 34.329 147.558-124.149 91.576 76.055 91.729 122.878 91.940 61.565 128.502-122.563 107.148-108.069 105.899-106.316 122.758-118.402 144.531 -97.223 94.901 141.110 164.474-154.091 139.140 -98.871 0.000 0.000 122.884 126.833 161.812 -78.102 95.263 -14.403 133.718 -98.774 93.512 -77.345 160.505-115.639 106.463 165.180 108.931-119.813 94.873 97.725 0.000 0.000 131.996-152.742 142.947 -21.200 118.107 -64.471 92.250-104.997 116.694-158.640 170.109 -56.998 128.325-159.028 160.200-157.960 130.160-141.149 143.404 -96.466 118.676 -88.913 144.470 -95.007 118.900 -70.000 171.513 -93.080 94.565 -21.580 138.216-137.575 92.196 101.672 130.008 -76.400 123.378 179.231 159.042 -51.529 94.240 76.586 163.679 -67.129 91.570 49.462 130.118 -76.200 109.528-161.099 160.879 130.578 127.917-153.902 129.411-106.042 127.815-141.886 145.209-100.068 129.186-142.534 174.997 169.017 123.390 -67.672 85.070 -44.437 120.239-157.723 133.361 -14.672 130.843-104.780 130.549-131.617 123.500 -86.646 151.807 -81.600 110.121-174.351 104.644-100.612 94.171 -32.572 149.187-157.597 94.131 -54.021 150.281-104.849 115.824 -23.017 0.000 0.000 93.813 97.565 165.761-160.189 93.805 29.878 142.051 -17.921 95.424 58.195 0.000 0.000 113.965 -86.519 144.745-121.823 115.793 163.275 173.033 121.385 94.779 58.077 115.588-104.787 119.351 170.535 121.310 -73.750 123.146 179.838 158.163 -27.438 115.383 159.944 112.510 -74.735 92.146 97.657 129.758 -76.213 127.605-119.206 115.715 -68.704 124.500 -98.964 120.694 -84.041 125.972-147.986 167.465-108.696 129.119 -91.121 159.838 8.640 126.706-156.592 120.846 -63.878 120.143-176.065 168.725 -91.698 126.853-115.560 139.795-126.821 117.906 0.000 148.874-147.392 # 150 total E -3.40417E+02 rmsd from N 0.000 %NC 0.00 91.570 61.941 136.662 -69.083 124.684 -79.261 165.690 -86.591 116.818-140.682 96.629 -76.358 126.861-167.939 151.272 -89.757 122.938-177.358 166.862-113.429 94.509 93.993 169.014 -77.280 94.760 65.034 117.516 -81.851 119.558 -60.723 134.168-139.048 117.400-167.011 85.925 73.846 126.570-130.522 168.007 -4.542 117.921 -93.616 138.445 -84.793 122.925-159.283 165.856 169.869 115.808-159.837 136.447-130.038 115.956 10.358 0.000 0.000 93.248 97.514 148.587-101.700 95.141 -2.898 141.332 -70.567 93.339 -83.971 147.010 158.033 94.783 -2.398 106.313-125.335 97.052 174.276 0.000 0.000 132.949-166.976 137.571 -38.236 94.879 54.055 113.899 -49.510 124.167-144.613 134.210 -91.981 120.535 116.961 103.917-108.132 92.878 100.482 96.656 -48.152 91.407 -18.396 129.413 -76.953 100.126 -69.494 167.206-104.278 114.724-166.687 150.969-147.560 130.889-157.088 173.119 -82.892 109.533 108.328 132.201 -20.119 94.892 118.229 86.630 -76.605 116.422-104.482 131.391 -90.157 126.790-103.181 110.568-116.591 92.210 68.607 139.054 -69.933 91.132 97.353 130.184 -76.881 93.521 38.529 167.046-157.332 115.461 -92.168 73.258 74.406 125.566-156.370 123.792 1.648 128.229 -87.057 138.746-143.232 125.275-164.686 141.228 -75.659 93.782 72.898 121.914-151.198 93.049 112.401 149.649-112.961 113.191 -82.628 145.109-118.685 95.046 67.079 0.000 0.000 116.252 130.952 166.397-112.894 93.259 14.586 98.517 -78.563 122.311-153.840 0.000 0.000 122.961-171.240 167.867-122.024 123.279-175.680 176.450 142.855 125.606-172.925 148.528-109.114 123.253 158.663 157.215 -2.508 93.602 70.111 118.415 -89.808 120.834-134.281 146.846 -17.434 128.201 -91.788 147.068 -83.560 126.946-149.022 137.941 -82.361 126.226 -91.421 152.299-100.937 126.366-148.937 168.041 -69.919 130.052-102.289 102.564 -88.525 126.347-148.265 145.311 -98.712 125.200-105.974 148.090 -97.604 127.058-118.984 139.547 -92.006 118.438 0.000 142.509-170.376 # 151 total E -3.40261E+02 rmsd from N 0.000 %NC 0.00 91.605 4.587 156.132 -16.204 127.246 -84.921 140.055 -88.214 117.089-105.405 136.376-144.183 127.459-152.630 149.760 -93.183 128.936-128.084 170.901 -59.020 132.533 -58.065 149.637 -72.522 95.722 85.898 142.886 -74.531 118.459 -29.528 107.473-112.591 94.569-144.550 87.885 82.041 130.944 -90.003 176.267-176.618 129.797-176.130 124.912 -93.498 118.075-120.932 129.362 -96.193 92.804 63.742 167.508 5.213 112.164 17.489 0.000 0.000 115.445 -78.473 126.907 -88.524 131.503 -81.771 132.236 -91.008 127.385-150.505 155.726-152.253 113.166 1.239 111.751-123.511 137.372-106.971 0.000 0.000 137.931 -80.997 104.443 -69.507 94.822 4.820 139.214 -75.300 129.640-144.754 126.009 -76.392 124.964-122.372 132.822-123.779 124.552 -69.202 155.351 -73.285 91.203 71.495 130.978 -78.122 92.375 27.044 165.298 179.417 90.964-128.674 144.507-154.901 91.612 128.415 129.457 -75.083 92.786 46.380 125.574 -3.051 95.155 76.505 130.073-140.480 104.921-112.508 135.934 -95.772 115.414 101.438 159.392-104.869 112.769 -78.909 130.917 37.559 91.568 -38.060 129.407 -76.268 128.082-151.188 162.450 127.425 124.967-149.990 158.616 168.592 92.811 9.428 141.879 55.498 127.089-152.096 149.889 30.477 128.598 -99.123 146.862-109.487 94.638 115.003 152.331 -23.776 123.555-102.850 105.904 -80.077 93.748 150.189 141.413-108.200 94.833 81.835 0.000 0.000 120.074-161.679 143.369-103.101 121.111-166.044 147.019 -19.490 134.607 -92.606 0.000 0.000 124.227 -91.110 135.318 -89.129 124.191-157.406 106.204 -55.852 122.932-177.559 163.022-142.437 124.593 166.644 164.795-163.922 93.893 74.885 147.676-116.002 122.796 -87.037 121.920 -77.227 91.290 91.089 126.624 -74.184 93.425 83.971 142.873 -78.915 92.356 17.545 133.863-102.954 99.063 -98.167 114.428 -97.171 95.483 144.783 132.381 125.434 94.074 74.713 133.967-104.488 93.265 85.873 105.229 -95.121 122.246-117.518 122.738-114.350 117.981 0.000 149.265-157.227 # 152 total E -3.39895E+02 rmsd from N 0.000 %NC 0.00 125.260-149.860 127.936-112.953 126.922-112.599 165.176-127.507 93.166 44.564 99.436 -66.330 91.661 39.421 133.210 -81.218 126.679 158.097 127.284-122.676 94.596 66.924 144.618-108.419 117.473 -65.116 125.805 -70.489 94.004 118.554 82.934 -78.954 121.227 165.596 152.459 -63.763 92.059 98.725 149.875 -11.587 93.028 52.474 115.835 -89.366 113.361-170.761 161.577-150.485 122.255 129.979 157.399-153.552 119.520 -19.136 0.000 0.000 127.294-108.644 131.961 -75.521 127.924-160.702 127.544-101.406 112.553 75.642 149.252-110.129 120.072 153.806 106.955-115.064 136.860 -83.676 0.000 0.000 119.771 159.981 136.181 -81.739 94.486 63.378 142.489 -75.305 94.063 141.120 110.309 -70.343 94.514 45.185 140.456 -79.952 118.376-151.112 163.734-163.794 132.047 -84.356 153.056 -88.913 93.341 61.254 138.904-104.424 93.096 150.846 155.284 -18.682 121.983 120.249 147.648 -99.000 111.842 -83.847 136.516 -2.314 128.082-146.957 161.182 -26.397 118.530 -64.904 138.827 -61.029 95.344 -17.510 135.405 -79.422 93.427 86.794 134.342 -46.926 141.703-141.242 148.192 -97.262 125.716 -80.296 95.876 -71.342 115.625-104.014 131.232 135.366 137.755 -44.651 141.479 96.552 129.270-162.536 133.640 135.678 135.614 168.790 144.451 -77.057 115.773 -68.305 140.184-170.666 94.210 -16.613 149.758-120.767 96.261 97.153 145.505-103.322 95.036 159.506 0.000 0.000 122.942-150.119 168.521 -75.653 119.146 -66.412 108.850 -73.264 147.920-114.177 0.000 0.000 129.870 -76.160 126.377 -80.372 118.546 80.901 130.749 130.488 94.341 102.917 143.239 -74.375 123.845 -89.839 109.361-105.605 92.520 60.890 136.978-134.855 92.906 56.783 144.857 -28.138 92.072 79.181 128.218 -75.006 95.129 -72.258 102.900 -81.284 95.294 -58.566 132.889 -94.270 122.637-163.983 146.303 -99.271 128.427-159.518 154.278 7.089 123.556 -71.131 144.966-102.419 122.738-165.069 138.078 -79.013 126.950-118.566 136.519-111.633 118.088 0.000 147.796-161.006 # 153 total E -3.39015E+02 rmsd from N 0.000 %NC 0.00 91.616 110.951 134.464 -74.735 124.144 -93.205 165.194-105.283 130.666 106.064 92.810 -86.718 121.926-124.395 154.066 -90.452 123.046-100.631 167.297 -65.009 126.005-170.233 138.938 -78.103 125.144-177.837 137.187-123.891 129.667-104.511 108.152 -80.173 92.864 62.684 109.627 -50.809 92.723 102.670 156.620 -25.348 118.072-103.407 125.920 -85.789 109.756 -50.736 158.407 157.630 94.262-178.693 140.126-108.117 136.378 -80.519 0.000 0.000 125.963-113.546 123.861 -88.984 120.539 172.721 113.238 -86.221 111.803 36.576 143.621-150.415 93.401 55.553 106.626-118.364 95.443 77.653 0.000 0.000 111.004-152.383 164.583 -50.133 93.706 70.197 140.651 -73.370 92.763 64.731 96.933-122.578 93.482 59.692 112.249-109.114 92.252 127.913 119.539 107.070 91.453 141.391 165.846 -81.762 92.543 92.152 126.455-106.949 93.497 -2.123 136.692-137.679 93.005 -86.660 129.512 -76.147 126.436-175.748 139.626 37.981 120.467-157.447 136.643 -49.125 130.927-164.602 144.157 -76.672 92.468 80.099 176.473-101.394 92.833 70.988 132.191-125.227 107.716-108.981 140.500 -91.457 114.301 117.047 109.441 -86.624 127.574-100.367 153.679-169.875 123.061-153.089 135.313 -18.414 130.418 -98.623 165.202-177.965 126.511-172.014 147.682 -65.932 93.992 67.224 124.464-171.055 92.978 147.536 153.373 -20.271 104.141 -59.958 123.169-141.880 93.531 38.937 0.000 0.000 122.600-101.113 117.278 -79.378 94.244 -49.236 134.110-119.880 127.517 -26.071 0.000 0.000 122.469-172.100 145.030 -95.267 123.268-172.737 140.653-118.897 124.152 -59.530 140.228 -86.925 110.279 71.974 130.812-149.875 93.516 84.297 147.006-126.761 123.146-121.974 103.524 -71.485 123.833 -90.734 149.239 -86.338 127.120-143.047 127.343 -38.530 116.464 -72.204 127.108 -74.601 125.493-150.657 128.613 -72.351 128.289 -93.080 144.422-131.005 127.186-157.801 124.477 -63.722 119.836-176.731 168.631 -87.787 127.063-115.386 140.292-128.299 117.818 0.000 149.110-147.641 # 154 total E -3.38292E+02 rmsd from N 0.000 %NC 0.00 91.589 104.483 123.611 -72.711 127.351-104.727 172.942 -62.591 92.722 48.575 136.108-157.751 91.501 48.004 130.654 -76.873 93.124 49.233 146.823 -81.816 93.607 54.798 134.081-112.195 94.215 -25.269 135.982-115.831 126.230-165.830 170.139 144.951 125.536-155.238 116.479 60.550 114.210 -61.107 151.304-103.617 121.439-162.465 164.973 -50.526 122.326-171.678 162.772-149.542 121.142 178.327 160.032-148.147 123.350 166.936 0.000 0.000 93.441 82.530 138.756 -92.377 125.170-129.031 135.831 -88.296 131.859-137.559 163.192 145.484 117.792 -77.051 107.323-113.976 118.762-172.572 0.000 0.000 123.906 -87.546 159.599 -71.986 121.102 -84.755 157.000 8.031 130.637-164.060 132.632 -87.611 126.214-131.040 175.644 -70.100 129.321 -71.987 86.850 83.922 91.999 95.035 130.879 -77.262 124.617 -85.985 169.627 -54.357 124.788-176.337 105.596 -86.568 92.635 43.199 128.962 -75.362 122.373 -73.423 146.179 39.127 94.442 -17.737 123.334-110.653 92.301 116.157 129.439 -76.170 131.908 -99.382 167.034 -98.166 127.341 -66.288 131.223 -54.344 118.853 -18.109 114.136 -68.120 128.571-148.735 141.445-136.141 93.088 68.569 121.718-107.116 91.935 88.981 146.171-138.755 112.315 128.867 166.647 161.697 112.915-106.524 149.000 -61.130 125.905 -94.908 140.767 170.362 94.281 45.854 146.403-113.607 107.219 -76.802 144.554-104.055 93.319 145.368 0.000 0.000 125.235-171.843 167.264-108.425 117.798-161.284 99.047 -83.046 137.983 -75.614 0.000 0.000 93.948 23.410 119.945 -87.670 114.729 83.635 162.850 54.118 113.307 -90.100 134.001 -84.864 131.726-172.907 176.449 18.404 120.471-163.216 115.899 -85.736 122.232 -78.813 148.209 -19.498 128.831-155.864 146.977 -82.708 126.303-140.606 169.464 -60.498 127.729-116.049 154.540-122.426 95.295 76.510 142.975 -74.231 124.784 -57.190 105.742 -81.451 93.882 81.902 138.495-111.639 93.008 89.186 142.152 -75.302 124.951-108.460 119.587-112.115 118.294 0.000 138.807-137.830 # 155 total E -3.37885E+02 rmsd from N 0.000 %NC 0.00 125.025-102.937 176.497-113.359 127.971-114.056 93.924 -89.135 115.845-133.558 102.798 -73.956 128.427-142.926 143.840 -97.326 126.101 162.659 174.358 -76.060 97.293 -47.990 164.640 -43.443 92.972 12.918 132.836-103.598 121.578 -53.297 151.683-134.640 129.217-140.824 176.447 -51.645 120.571 162.222 167.457-173.854 95.748 116.904 141.562 -72.125 135.360 -78.711 108.791 -77.280 95.001 6.977 144.386-146.671 121.869-153.094 0.000 0.000 135.417 -91.377 156.225-128.384 131.806 -42.435 106.970 -79.115 114.374 114.010 172.751-156.017 118.795 -91.850 111.711 118.193 109.214-171.452 0.000 0.000 93.710 69.212 140.039 -64.996 94.702 80.136 144.586 -71.371 123.053-166.551 163.335-132.107 131.129 -60.314 176.417 -68.261 115.549-179.472 144.786 79.489 91.546 77.097 130.952 -77.110 94.521 65.858 130.498-103.224 92.299 -82.590 140.736-143.690 91.046 -31.826 129.110 -75.780 117.368-153.825 140.498 -47.049 130.736 -52.556 135.410 -51.364 92.316 2.340 131.983 -77.329 130.510-138.307 135.507 -86.213 126.568 -61.745 137.900 -52.355 122.627-152.559 141.439 -80.985 129.732-146.632 142.157-166.873 130.538 -82.426 141.522-101.953 123.809-157.367 140.804 -74.258 115.198 171.122 161.385 12.038 91.632 83.329 129.078 -76.676 94.531 10.981 132.968 179.510 93.798 -97.393 154.001 -27.968 94.359 159.695 165.692 -8.828 125.817 160.897 0.000 0.000 122.046-106.830 101.024 -62.263 109.776 -62.381 96.586 -73.867 109.656-164.301 0.000 0.000 93.826 77.808 110.441 -74.034 120.706-118.157 166.148 170.910 127.024-110.180 152.459-155.244 134.232 -82.543 80.119 -78.987 123.484 174.054 141.612-178.565 93.017 51.619 151.845 -10.607 91.275 58.506 126.991 -75.673 93.486 56.399 142.884 -75.425 92.409 47.561 140.000 -86.706 97.192 -80.452 98.559 -80.561 117.168 178.344 144.654-118.211 129.822-168.870 134.778 -73.935 117.086 179.577 168.210 -64.015 126.942-114.356 137.720-137.231 117.771 0.000 150.207-138.526 # 156 total E -3.37397E+02 rmsd from N 0.000 %NC 0.00 126.166-129.430 149.130 -81.935 126.427 -88.727 127.076 -79.474 115.028 -72.012 133.228-140.836 91.725 81.002 131.266 -77.034 125.428-115.693 138.488 -86.586 127.258-149.204 128.405 -77.911 126.344 -95.591 140.157-123.675 124.750 167.402 176.463 155.778 92.679 58.999 111.279 -52.243 92.784 152.847 157.580 -30.486 121.939-173.917 167.959 -71.062 121.950-169.978 165.125-137.889 121.185-171.830 160.415-148.961 135.671 -81.146 0.000 0.000 126.668-161.861 141.246 -74.298 120.931-179.654 136.967 -80.064 114.339 103.327 146.593-142.527 119.550 -89.646 117.486-116.877 117.433 -7.401 0.000 0.000 125.619-127.660 142.023 -12.659 125.079 149.979 173.056 -77.996 103.009 -52.438 157.604 -69.995 93.323 19.527 139.058 -76.896 119.024 -67.531 149.088 105.418 126.573-154.397 147.582 -90.723 125.193-175.156 169.258-101.588 116.030 87.289 163.819 4.383 119.914 -87.531 144.666 -82.911 125.199-152.477 139.141 -16.339 127.026-141.640 142.930-106.264 126.943 -80.961 153.320 -86.699 126.176-165.686 146.545 50.494 93.128 25.537 137.633 -85.590 114.824-120.110 147.660 -85.304 135.401 170.857 77.949 -67.745 92.254 84.721 136.395-136.623 92.453 24.935 116.612-127.410 119.686 150.326 135.011 132.322 128.149-173.712 136.467 -81.028 116.929 177.396 149.116 26.334 131.959 175.192 156.680 16.969 95.088 -51.556 149.668-115.780 108.886 -39.049 0.000 0.000 94.316 85.998 128.147-104.328 93.914 126.087 134.745-139.506 151.426 -97.409 0.000 0.000 129.990-171.978 126.213 -66.882 116.417-162.700 107.306-110.885 95.720 70.428 143.559 -73.536 134.588 154.178 48.525 -66.902 92.655 17.421 144.518-103.958 109.737-157.099 156.591-120.794 91.501 98.068 132.920 -75.947 94.465 70.954 142.313 -73.621 115.902 -85.315 134.940 -86.332 116.746 171.868 166.639 -49.279 94.341 106.694 147.675-106.829 94.247 101.700 117.575 -86.109 116.847-105.592 112.829-110.509 95.274 64.087 124.407 -91.739 117.357 0.000 139.387-165.802 # 157 total E -3.37380E+02 rmsd from N 0.000 %NC 0.00 126.072-130.144 149.157 -78.941 125.915 -80.292 134.169 -92.771 116.837-138.537 102.163 -79.905 128.059-163.272 149.897 -90.410 123.672-168.806 166.775-113.249 126.865-173.360 174.802 -59.184 117.982 96.015 159.228 -73.042 120.809 123.640 86.631 -93.408 94.842 8.876 111.341 -51.283 93.028 -89.946 137.083 -48.429 93.576 23.257 121.359 -73.619 96.958 93.588 131.984 -91.980 117.176-150.458 176.479 -9.714 135.200 167.060 0.000 0.000 92.968 51.716 134.293 -78.892 96.030 65.199 99.423-104.442 92.489 -64.821 154.765-158.244 107.503 -59.271 109.299-115.571 95.131 166.839 0.000 0.000 116.165-174.837 145.034 -0.394 128.917-179.767 138.637 -54.201 113.005 -54.174 162.756-127.831 126.844-165.728 171.113 -61.443 126.017-126.895 168.924 -33.991 119.953 -60.539 140.882 -97.522 92.668 83.612 147.423 -82.103 93.198 14.109 137.621-141.132 92.525-111.240 128.889 -75.252 102.264 126.660 117.560 -62.378 95.805 35.728 159.417 -78.059 91.569 71.330 127.316 -75.919 91.741 83.987 143.274 -61.870 92.151 45.990 125.173 28.201 110.530 147.395 145.892 -84.562 122.741 -93.670 160.113 160.616 93.690 9.073 134.009-135.005 92.285 79.356 132.854-100.153 93.382 119.630 141.250 -18.475 92.003 -32.973 128.250 -75.359 96.425-173.704 101.104 -85.526 91.515 -49.878 137.808 -49.191 91.953 -16.981 169.924 -2.979 115.338 -27.834 0.000 0.000 108.401 -35.297 167.806-116.806 93.262 108.192 94.731 -79.677 121.571 3.184 0.000 0.000 126.517-108.970 145.067-105.660 123.241-147.088 155.292 52.882 126.870 -82.780 138.003-125.803 131.485-162.717 149.172 16.990 115.578 -71.102 117.468 -88.283 112.810 107.758 148.210 -16.451 120.602 -89.150 143.831 -83.738 124.882-159.246 161.877 -69.252 124.880-164.851 140.271 -72.219 125.080-170.668 138.429 -81.775 125.870-172.048 150.975-138.654 126.464-153.437 143.592 -78.951 124.626-104.288 144.890 -91.735 126.475-118.310 168.198 -73.463 118.705 0.000 139.189-170.716 # 158 total E -3.36771E+02 rmsd from N 0.000 %NC 0.00 112.806 -26.747 162.569 62.817 127.813-107.048 134.171 -92.831 134.338 94.816 118.108-106.860 91.271 -40.733 128.157 -75.411 93.976 -37.571 164.252-105.945 118.441-165.211 168.799 -93.564 129.219 -79.850 153.729 30.307 143.037-133.217 147.354 18.315 119.768-104.440 106.283 -68.247 117.539 -64.441 172.603 -9.609 125.739-166.287 144.517 -81.324 114.297 -86.751 159.397-168.150 94.260 106.826 118.524-140.477 134.610 -90.439 0.000 0.000 123.936-164.617 141.583 -68.821 122.434-162.303 171.168 -46.579 125.146-163.506 159.332 179.571 123.215-152.644 108.389-113.962 137.076 -78.403 0.000 0.000 92.587 70.960 136.136 23.460 93.476 50.231 143.103 -74.553 93.363 53.935 142.088 -74.757 94.065 85.660 139.585 -74.909 92.593 -2.291 133.334 -68.333 115.858-132.869 144.395 -93.534 122.257-176.601 169.327 -92.173 119.836 169.478 150.988 -21.080 112.955 59.249 146.595 -84.927 124.629-158.519 147.092 11.868 126.542 -95.814 170.197 -61.356 126.679-172.284 159.346 -79.523 111.742 26.680 159.797-117.377 93.802 88.541 135.478 -49.327 90.978 -52.415 129.895 -77.111 102.523 -66.381 174.279 177.284 92.884 169.570 119.918-162.856 91.854 83.242 145.662-128.772 140.228 -60.990 169.960 168.570 128.529-144.871 139.141 -49.584 130.356 -81.955 171.931 2.428 128.058 -67.008 161.873 -20.272 95.414 172.400 146.421 122.715 134.245 -77.417 0.000 0.000 124.348 176.388 168.016 -75.291 93.152 -42.291 110.263 -64.604 113.537 -12.130 0.000 0.000 124.732-105.420 116.472 -80.116 93.185 50.712 150.361 137.593 93.003 86.753 143.784 -75.300 108.510 18.602 66.393 -81.548 93.707 -85.093 160.137 -9.407 94.079 145.118 149.653-171.043 91.028 54.035 128.286 -77.040 123.220 179.046 138.923 -86.887 93.128 59.143 175.576-119.929 97.614-152.264 140.580 -74.681 131.780 -97.433 176.395 148.729 125.790-171.474 126.011-124.227 117.319 110.475 168.517 -75.997 124.978-118.144 167.028 -78.504 118.522 0.000 139.957-172.444 # 159 total E -3.35792E+02 rmsd from N 0.000 %NC 0.00 126.104-133.766 144.873 -81.329 125.756 -86.923 125.218 -94.262 116.276 -97.107 114.379 -84.466 91.488 58.195 157.931 -84.447 92.820 41.924 116.363 -73.175 93.134 43.663 147.562 -74.605 92.594 43.455 140.185 -75.769 92.970 43.630 149.010-105.673 91.243 50.339 116.706 -44.735 92.161 39.191 140.448-108.662 99.719 -85.516 112.479 -98.780 125.398-168.343 170.162-128.974 111.488 -44.083 116.139 -95.186 120.163-158.059 0.000 0.000 125.592-148.703 145.264 -86.620 126.016 -89.335 165.472 -83.015 123.486-158.094 165.200-175.946 125.324-155.387 108.903-114.219 134.721-102.350 0.000 0.000 126.313-100.280 140.389 -15.740 124.017-179.724 167.947 -58.187 95.023 92.471 143.970 -75.917 126.201 -96.479 117.866 -87.639 125.235-158.727 127.142 -64.931 120.905 176.941 143.288 -77.856 93.166 62.606 134.870-119.401 92.394 88.424 146.262 -26.745 91.481 55.854 128.945 -76.995 119.801-118.030 138.335 11.657 126.584 -91.587 135.013 -88.473 124.818-173.877 147.668 -79.497 92.936 64.773 138.783 -79.733 115.847 162.186 142.189 -87.985 107.713 75.257 146.431 -86.737 120.686 -64.227 147.291 129.996 92.269 96.042 129.704-150.562 91.367 55.883 169.806-125.933 94.325 72.852 86.949-100.381 91.501 -74.325 130.204 -77.200 93.306 -47.700 124.492-150.621 111.111 178.162 159.006 -10.379 121.619 -87.652 167.281-157.138 118.381-176.219 0.000 0.000 117.464 108.126 148.780-125.262 94.170 -88.994 138.469-144.939 130.642 -89.337 0.000 0.000 129.601-137.004 154.011 -74.341 117.872 -49.981 176.117 18.815 94.925 10.700 122.762 -71.542 127.823 -52.859 141.210-130.940 93.835 111.597 149.143-160.424 119.563-110.257 117.350 -72.287 131.152 -86.208 138.663 -99.519 131.927 -77.594 129.622 -74.338 93.827 93.227 134.923-110.450 114.407 -63.282 137.109-110.487 93.185 87.218 124.247 46.635 93.776 57.991 101.312-104.055 120.690-101.178 164.288-161.905 126.442-106.796 137.012 -88.360 118.013 0.000 142.400-135.865 # 160 total E -3.35188E+02 rmsd from N 0.000 %NC 0.00 126.093-142.336 130.959 -68.584 120.727-159.037 112.472-107.143 127.068 7.339 151.763-164.487 92.188 -36.999 131.285 -76.850 128.124-142.543 105.161 -81.690 127.987-170.469 94.862-100.912 124.304-119.891 125.749 -87.620 129.444-114.917 146.728-163.920 125.031-106.914 126.933 -78.004 91.818 61.464 147.238-173.159 92.713 72.651 141.145 -71.606 92.624 77.213 140.341-111.972 102.214 -95.760 112.578-103.528 121.583-176.764 0.000 0.000 125.708 178.530 122.950 -93.368 117.368 70.146 130.428 -86.590 113.618 -63.080 163.683-140.976 94.227 174.625 104.698-116.544 143.728-175.739 0.000 0.000 109.233-170.816 138.356 6.256 132.177 -67.401 140.218 -58.874 130.032-143.825 150.379-112.649 95.195 96.968 142.623 -75.746 115.193 -76.590 123.888 -59.745 134.921-174.807 151.058 -95.250 127.181 -19.931 109.178 -70.041 128.329 -88.280 121.392 -78.595 130.654-125.738 137.722 -96.200 130.506 -77.665 149.383 11.487 94.856 60.950 145.118 -74.475 90.953 54.955 129.424 -74.486 91.827 48.959 149.897-138.605 92.879 49.267 153.858-137.891 92.210-111.243 129.267 -77.372 114.802 150.656 99.658-105.528 128.811 -52.588 129.826-137.214 113.459-152.214 138.717 -95.231 130.690 30.713 142.258 166.902 92.019 -66.542 132.608 -77.889 93.800 -34.336 161.329 -27.470 92.714 129.144 155.055-121.313 128.504 -49.861 166.316-172.546 96.380 82.831 0.000 0.000 107.719 163.291 134.929-120.174 119.655-178.471 108.491 -75.613 132.676 -72.968 0.000 0.000 117.589 109.984 168.079-153.795 122.240 -48.714 176.471 159.186 118.942-156.568 125.320 -65.686 130.681 -89.987 136.731-164.066 122.661-156.871 118.266 -88.006 122.424 -79.372 113.004 -74.265 125.921-167.809 145.547 -80.788 115.244 97.406 133.428 -96.916 92.929 102.181 134.718 -81.305 122.975 -99.102 121.605-110.652 128.733-149.888 115.290 -83.359 126.283-142.879 140.784 -98.864 124.413-103.481 169.415 -90.076 126.997-118.878 139.044 -91.139 118.548 0.000 142.203-169.809 # 161 total E -3.35081E+02 rmsd from N 0.000 %NC 0.00 125.965-144.735 127.276 -66.298 123.068-151.359 111.846-100.367 112.604 123.842 148.070-170.003 92.519 44.903 134.905 -78.671 144.635 -59.972 148.025-110.700 127.173-165.834 88.130 -98.710 94.661 75.631 141.493 -76.683 93.927 51.121 84.844 -95.730 92.700 65.027 151.054 -70.850 92.404 112.789 123.346-140.237 114.933 -80.169 132.791 -88.781 93.552 78.573 157.538 176.410 106.575 -11.958 118.059 -95.746 122.859-139.613 0.000 0.000 125.801 -95.126 143.486 111.085 127.355-161.602 174.644-103.996 123.551-167.050 164.161-151.824 130.548-176.348 167.828 -48.596 95.309 96.012 0.000 0.000 137.047-166.820 135.640 -68.545 94.464 109.654 154.666 46.632 114.536 146.447 138.315-113.433 117.768 -55.527 172.575 -94.457 92.675 66.334 150.759-135.382 116.247-160.637 145.053 -97.299 129.327 -96.220 149.033 -69.047 119.960-168.390 150.675 -19.109 91.777 79.007 127.712 -75.499 93.225 58.705 124.836 -18.941 97.124 -58.272 163.610 -70.536 118.139-160.231 143.744 -81.713 135.431-161.302 136.085 -31.322 121.196-102.854 148.669-128.119 92.011 51.910 130.186 -76.528 128.527 -60.428 89.995 -80.321 92.226 107.618 120.424 148.305 91.810 122.865 110.235 6.691 125.441 -92.343 132.131-154.611 133.372-150.163 129.637 -71.211 125.692-118.300 138.508-147.138 125.051-163.380 162.781 -0.451 104.327 143.019 112.393 129.611 127.698 160.849 0.000 0.000 93.254 80.082 139.749-101.222 93.305 -29.496 127.514-119.824 118.892 80.773 0.000 0.000 119.920 178.000 130.557 -99.804 128.843-169.786 133.565 95.839 123.962-144.105 122.574 -80.029 119.595 147.718 176.508 26.328 93.683 91.532 137.493 -54.303 119.974 -94.768 116.608 -98.338 91.329 111.549 128.795 -74.820 130.492 168.200 150.398-108.741 118.145 73.636 150.618 85.480 94.352 -61.111 129.968-117.669 94.792 -24.517 126.875-108.340 95.324 101.907 144.737 -81.317 130.508-123.118 128.752-129.751 126.777-117.662 176.474 -92.937 118.826 0.000 137.811-169.707 # 162 total E -3.34810E+02 rmsd from N 0.000 %NC 0.00 125.962-122.662 154.287 -74.894 125.735 -91.350 134.754 -91.556 124.746 112.095 111.583-104.524 119.730 -86.382 121.419-103.461 122.703-175.401 171.503 -96.823 128.013-174.053 176.265 -80.312 95.431 133.790 141.364 -76.813 118.966 40.635 102.077 -90.705 109.671 -67.798 124.886 58.707 128.153-149.044 159.116-107.589 110.206 -70.857 118.699 -99.374 94.096 42.281 157.809-159.823 113.305 162.092 152.112-133.165 129.155 158.857 0.000 0.000 94.081 58.936 140.182 -85.923 96.181 62.448 137.132 -68.494 92.275 138.547 139.374 163.869 93.532 -58.030 105.903 107.433 112.634 -19.582 0.000 0.000 129.798 -78.320 149.651 -1.901 125.870-154.880 124.610 -94.979 127.738 -80.678 167.268 -29.812 96.987 -21.443 115.404 -96.149 94.246 99.264 144.302-116.906 91.470 -16.123 131.873 -77.081 97.590 -82.938 139.214 -74.057 119.189-165.777 147.415 -22.507 137.863 -81.121 139.102 -78.879 126.932-144.025 149.943-136.019 126.099-130.323 165.402 -47.502 91.646 82.216 129.511 -76.043 92.553 59.202 125.922 -94.031 111.189 -76.502 120.783 -90.510 118.466-161.262 150.840 -79.064 129.746 -66.972 143.735 135.509 92.831 80.960 130.820-150.482 91.909 125.677 128.442 -85.975 117.878 155.928 133.851-132.487 91.965 77.481 129.667 -76.367 120.122 -71.102 111.780 -92.713 94.196 139.363 152.556-124.890 121.583 171.632 166.071 178.846 123.989 168.260 0.000 0.000 119.340 115.674 144.538 -97.620 118.462-120.840 100.398 -80.960 127.572 178.359 0.000 0.000 93.113 60.378 119.772 -84.954 121.436-148.954 126.940 56.702 126.721-101.205 129.063 -70.294 127.752 -46.982 61.972 -76.166 95.309-137.071 148.674-139.240 92.776 65.731 107.409 -76.043 91.693 81.895 129.357 -75.929 124.097-101.302 118.893 -80.745 93.033 93.464 127.141 -79.047 94.600 23.932 138.560 -72.904 124.960 -73.831 156.030 124.059 117.794 124.725 114.831-109.214 129.275 -96.191 133.010-116.916 126.584-128.448 137.386 -84.288 118.740 0.000 140.474 163.619 # 163 total E -3.34642E+02 rmsd from N 0.000 %NC 0.00 109.685 -9.653 161.466 24.693 95.646 153.335 116.106 -81.058 93.282 54.503 140.408-165.889 115.879 -60.126 144.739 -93.934 115.609 136.176 160.453 80.377 94.550 9.611 137.764 -78.981 112.545-142.214 111.236-120.247 128.158 179.526 122.273 -48.299 118.158 46.737 114.360 55.412 115.023-136.518 166.361-150.791 124.340-151.019 140.350 -79.190 117.446 -46.107 160.960-159.869 117.147 -79.812 149.340-123.613 95.514 89.278 0.000 0.000 119.922 -54.942 123.609 79.886 95.241 139.387 112.205 -76.553 130.529 166.851 78.431 -88.818 121.171-178.468 134.155-120.599 126.275 26.909 0.000 0.000 121.277-119.517 143.307 -59.065 134.825-143.338 154.999 17.579 128.627-160.173 166.628-146.880 125.644-167.593 163.530 -48.266 122.382-178.670 171.367 -99.267 91.712 87.043 154.587 -70.781 113.236 116.680 112.337 -69.607 119.863-105.519 154.368 -13.531 133.219-152.876 138.092 -98.927 136.234-175.668 42.360 -91.292 95.169 81.332 142.832 -77.199 119.435 -73.160 145.796 -81.602 132.165-144.114 154.794 -4.066 114.451 -53.150 115.519 67.003 124.143-172.286 150.001 -84.085 128.522-144.261 173.814 9.656 131.644 -77.274 139.833 -78.825 128.010 -31.724 146.287 -39.631 129.914-151.499 151.327 122.417 124.743 -70.942 139.444 -85.389 108.391 78.254 157.153 -17.697 117.678-110.196 149.736 -43.326 94.264 105.013 147.119-105.779 136.910-106.091 0.000 0.000 114.077 104.404 141.231-105.086 116.927-117.911 100.450 -81.242 133.193-111.802 0.000 0.000 129.937 -99.352 149.269 -91.151 128.075-103.083 144.614 130.417 119.354 -66.810 114.485-141.162 103.383 -18.586 164.591 177.842 93.315 84.568 146.307-131.172 132.107 173.103 133.679 -81.942 118.862 175.676 124.246 -90.946 128.854 164.201 153.216 49.419 92.125 30.441 124.010-100.864 118.714-123.658 176.521 -57.621 125.418-172.438 155.569 -15.019 94.167 55.996 120.307-113.538 116.274 145.589 167.346 -41.700 126.565-112.570 137.338-108.203 118.348 0.000 142.092-152.491 # 164 total E -3.33778E+02 rmsd from N 0.000 %NC 0.00 91.560 61.296 135.993 -73.357 125.676 -83.105 134.974 -83.199 114.152 179.424 138.160-149.924 91.449 70.822 130.368 -75.978 92.686 87.521 131.174-101.398 94.472 35.334 140.195 -72.843 110.369-172.045 166.270-129.158 128.305-136.623 103.601 -51.267 126.640-117.382 115.630 60.068 124.440 -87.438 169.573 -14.021 125.925-157.268 125.616-104.057 130.096-151.848 158.512 -93.481 93.545 60.443 170.877 -41.029 132.133 11.514 0.000 0.000 113.182 -1.722 113.959 -89.858 95.073 74.830 127.893-107.798 118.583 -40.753 157.393 6.818 93.877 61.021 126.994-108.231 116.524 10.722 0.000 0.000 93.563 36.508 110.775 -49.172 137.903-113.045 155.873 -77.041 95.934 127.066 144.083 -75.721 94.096 124.165 133.245-117.209 92.390 96.659 120.027 -59.232 91.338 52.942 130.523 -77.297 115.967 -88.056 164.044 -73.844 118.129-149.887 114.660 -80.881 131.165 -87.688 140.918 -42.304 129.777-158.174 131.333 -73.452 127.997 -66.976 168.060 -28.564 126.617-132.833 148.299 -81.968 108.976 92.697 155.239 -72.827 92.873 70.758 135.294 -84.672 121.118 -86.640 147.487 -90.602 124.124 -57.262 156.548 -4.478 122.862 154.857 136.937-105.175 91.383 -48.505 135.549-126.953 112.228 -4.024 151.974-148.811 93.749 -55.322 131.047 -75.907 95.805 -24.964 154.132 17.872 93.223 117.897 159.191-129.742 129.134 -99.634 164.240 -29.829 123.040-162.222 0.000 0.000 122.436-167.199 71.736 -55.739 94.032 49.727 130.534 -34.255 95.460 75.935 0.000 0.000 94.524 -27.128 166.521-121.888 111.848 71.234 97.922 -66.875 121.702-153.086 135.477 -61.288 130.201 -85.974 104.160-103.703 121.418-171.422 148.963-109.289 114.021 -74.289 159.012-135.485 91.519 62.290 129.233 -76.229 128.533-124.339 139.831 -90.949 122.918 176.217 136.853 67.956 95.238 48.562 107.793 -83.053 119.016 -71.885 176.446 11.420 111.289-150.027 125.192-120.319 129.556-101.754 149.789 -81.899 127.034-116.503 100.549-104.444 118.510 0.000 140.891-163.299 # 165 total E -3.33618E+02 rmsd from N 0.000 %NC 0.00 125.155-129.948 164.497 59.801 127.464 -92.612 161.284 -54.766 115.329 -75.047 138.923-150.579 109.598 -18.870 149.961 -86.272 124.799-164.695 144.133 -88.058 123.676-163.777 137.272-112.509 128.801 -83.785 135.482 -61.600 111.991 -17.210 75.346 -69.521 93.129 88.537 139.765 -83.457 92.165 -32.763 150.770 173.742 113.294-162.945 165.277 -52.449 132.326 -88.836 171.142-128.493 94.069 -45.414 158.698 -38.838 135.163 -19.386 0.000 0.000 138.347 -95.225 125.880 -75.846 126.681-143.980 132.823 -86.537 124.613-159.261 155.622-149.069 126.246-146.684 109.447-113.160 133.107 -91.858 0.000 0.000 129.362 -97.099 142.683 -5.900 128.558-154.856 134.746 -87.221 123.106 176.357 165.518 -75.404 95.563 77.495 142.805 -74.953 94.010 -48.246 134.031 -77.621 110.989-174.327 140.778 -77.007 126.248-170.873 101.186-106.578 129.563 -89.369 110.160 -86.342 124.093-152.513 151.489-101.183 128.674 -92.604 126.723 51.612 125.524-138.041 167.217 -58.566 115.092 63.616 152.333 -88.201 122.382-171.402 132.719 -8.214 114.797 -56.225 137.338 146.181 91.972 -30.684 130.546 -77.091 95.228 90.530 87.783 -92.058 130.068-129.326 155.241 131.317 122.995 169.235 148.870 73.532 114.571-153.145 105.500-159.855 124.001 172.147 152.239 -76.277 119.960 154.186 101.518-111.886 125.043 168.541 170.141-156.085 120.762 -65.591 153.128-159.856 95.951 75.082 0.000 0.000 130.337 175.346 147.262-105.401 92.645 -57.677 135.616-121.443 93.395 21.061 0.000 0.000 124.452 -90.521 133.716 -87.371 122.108 -67.286 153.349 80.277 124.488-160.702 147.313-104.724 126.256 176.492 157.661 0.726 121.240-179.880 159.584 -22.818 120.581 173.705 114.567 -72.697 114.864 101.031 146.379 -81.590 126.382-100.714 134.760 -85.342 121.509-177.899 152.714 -77.569 94.829 68.570 127.750-101.589 113.840 160.306 172.266 167.032 94.092 83.610 135.441-109.715 93.351 88.123 111.880 -91.953 122.530-117.226 122.798-113.806 118.061 0.000 148.964-157.240 # 166 total E -3.31425E+02 rmsd from N 0.000 %NC 0.00 91.588 103.075 127.976 -85.068 126.118-160.131 172.152 -78.775 108.807 0.167 104.456 -85.983 92.029 -79.546 129.561 -77.832 106.166 -39.771 166.266-136.646 120.052-145.879 163.060 -78.051 126.882-130.000 152.275-121.377 132.875-115.783 147.144 16.994 128.471 -75.895 120.416 -60.186 92.152 82.595 151.500 -42.528 91.623 62.403 118.915 -74.301 93.094 70.107 92.850 -87.212 117.350-170.517 138.556-126.246 117.942 35.291 0.000 0.000 93.054 146.988 146.477-111.207 94.594 99.787 168.237-100.244 92.741 -54.866 147.154 -42.854 94.107 92.010 111.508-109.210 95.051 68.243 0.000 0.000 119.952 161.953 150.528 -34.314 94.496 96.547 162.324 -81.905 126.326-102.440 122.765 -92.495 124.598 -95.029 145.448 -84.116 129.524 -74.877 84.948 78.444 131.598-152.493 167.721 -84.209 125.666-147.934 167.296 -74.196 122.719 155.568 161.972 -8.668 91.662 73.104 127.032 -74.959 93.776 112.603 122.549 -29.300 93.806 -25.571 104.925 -90.866 91.844 -65.406 132.638 -78.949 96.514 -13.743 84.308 -99.964 94.294 89.008 119.548 -34.539 135.925-127.206 152.181 -90.103 126.561-102.486 136.982-109.893 119.264 138.621 132.441-121.183 91.817 -15.812 137.948-118.175 116.852-152.862 145.248 -0.453 130.222-164.370 153.221 -82.613 113.828 -61.021 94.730 -97.110 111.837-171.031 155.979 -17.477 94.821 79.868 176.442 -24.162 139.019-120.095 0.000 0.000 123.054 -73.484 169.490-127.681 114.573 -13.954 101.185 -80.572 119.068 -10.727 0.000 0.000 106.251 154.621 131.363-103.375 131.452-166.427 98.951 -52.337 120.772 -80.374 129.631-130.012 93.540 85.018 176.455 160.232 92.857 60.581 147.375-129.725 113.472-117.011 148.011 -16.148 130.159-176.462 153.774 -91.604 123.683 -76.134 159.608 -14.686 94.074 -32.741 129.908 95.786 120.385 161.105 126.037 -56.117 93.344 93.666 122.500-109.881 94.030 -2.713 88.402 -68.943 100.221 -84.342 174.841 -76.621 124.646 -98.056 159.962 -41.168 118.845 0.000 127.420-140.655 # 167 total E -3.28645E+02 rmsd from N 0.000 %NC 0.00 126.218-132.736 147.406 -66.403 115.938 88.470 127.128 -88.538 122.144 162.347 109.068-104.342 93.202 171.867 131.388 -77.177 123.392-173.188 167.014 -92.253 125.940-164.642 166.454 -58.542 124.808-151.092 165.107 -13.837 128.707 -68.663 132.802 132.233 112.269-153.130 108.486 -54.933 120.420 -72.353 145.490-165.958 123.339-160.305 138.800 -86.505 123.742-161.478 159.070-117.822 94.116 25.679 139.530-109.602 122.844-160.544 0.000 0.000 123.692 173.167 176.338-137.006 95.040 95.749 161.718 -65.732 111.219 153.071 126.021 -97.453 119.659 -77.883 112.786 104.990 121.929 -14.584 0.000 0.000 127.142 -97.871 142.257 -5.780 126.167-151.163 132.139 -90.002 127.128 -92.662 138.564-105.395 124.012 178.759 166.541 -35.122 93.396 84.622 139.112 -97.661 126.119 -95.801 137.341 -94.120 124.528-153.106 139.809-120.549 129.981 -60.412 127.114 -84.218 128.387-152.912 148.344 -78.976 133.039-124.044 137.783 39.807 95.029 20.287 129.150 -95.884 121.528 -95.300 147.699 -82.218 117.370 172.011 147.735 41.643 92.669 56.980 146.292-137.424 91.350 81.874 134.976 -80.510 92.533 39.357 166.745-129.225 92.747 56.753 131.805-138.781 91.933 80.053 127.090-113.742 122.467 -93.266 145.182-136.738 123.349-151.306 135.469 -77.333 93.554 54.144 157.804 -29.960 93.201 73.259 146.998-107.999 116.711-111.533 153.045 -59.635 133.658-120.641 0.000 0.000 123.724 -96.111 113.569 -84.649 93.021 -66.780 95.105 -80.066 94.280 16.931 0.000 0.000 122.392-110.111 173.936 -68.538 122.343-111.849 148.227 57.120 94.088 134.636 145.536 -67.959 128.141 41.505 80.473 -95.505 95.578 29.351 157.538 -16.869 95.043-162.978 108.812 -72.979 146.448-118.554 119.921-117.730 126.585-148.941 109.004 -70.708 92.084 66.354 135.044-113.521 125.806 -76.552 112.738-101.577 124.634 178.957 157.346 -22.111 121.997 109.379 161.131-164.358 122.331-121.956 114.679 -89.243 128.437-123.113 175.427 -68.761 118.607 0.000 140.047-179.687 # 168 total E -3.26823E+02 rmsd from N 0.000 %NC 0.00 91.639 -8.877 130.413 -77.391 119.466 91.174 164.719 -81.603 113.980 164.374 142.182-156.750 91.890 81.066 151.335 -85.473 116.169 134.793 167.501 -84.659 120.834 156.696 165.016 -41.852 94.374 72.201 141.795 -75.405 121.068-117.167 146.243 -38.545 125.556 -86.127 125.906 -50.510 127.356 -53.531 157.966 155.661 125.934-172.224 143.103 -78.561 113.818 177.867 142.076-119.395 125.156-174.684 166.875 42.625 129.101 -61.300 0.000 0.000 92.988 60.236 137.298 -88.665 126.039-140.308 136.308 -94.674 122.179-164.451 167.301-165.432 127.220 -73.666 111.182 114.673 129.768 -14.783 0.000 0.000 139.585 -58.328 145.538 38.328 94.535 89.392 103.174 -92.183 93.739 104.655 175.100 -77.733 93.078 126.971 142.522 -73.883 130.603 -97.510 166.995 130.927 123.888-175.282 120.421-135.934 93.543 -55.817 110.664 -67.948 91.678 12.444 136.996-126.212 119.640 -47.336 144.874 -88.585 130.450-143.354 141.639 -6.117 124.355 -97.694 119.327 -65.088 119.518 -87.993 148.412 -80.720 124.138-143.680 147.855 128.245 132.386-134.672 121.868 42.128 126.782 -86.084 151.230 -96.256 116.633 131.814 155.748 15.762 124.693 -93.633 138.079 151.423 91.257 52.068 120.017 -21.122 92.694 46.328 167.266 177.447 91.191 49.774 128.895 -75.941 91.886 57.768 167.647 -25.697 91.933 89.645 149.006-113.545 93.112 35.107 128.933-104.230 116.948-163.850 0.000 0.000 123.854-173.120 145.129 -99.390 119.925-169.654 146.550 -18.949 135.392 -87.995 0.000 0.000 123.009-149.904 125.476 -78.787 92.940 61.954 149.673-117.818 94.318 14.486 113.519 -55.206 109.271 68.887 156.448-166.670 92.930 89.670 139.724-100.311 94.735 33.566 142.383 -29.527 92.576 166.584 137.469 -82.805 125.544 107.045 131.598 -84.622 91.502 -19.633 137.024 -78.514 95.409 -65.431 127.948-106.656 112.790-172.645 176.462 170.169 94.568 64.934 134.917-132.632 93.355 107.044 131.843-124.712 124.078-102.320 117.187-108.067 118.591 0.000 131.635-135.085 # 169 total E -3.24805E+02 rmsd from N 0.000 %NC 0.00 91.622 117.716 146.575 -63.792 125.659-112.535 173.406 -67.840 116.377-138.851 102.946 -60.058 132.352-138.073 143.888-103.213 121.770 179.495 123.843 -62.352 94.689 60.573 125.407-100.173 117.014-162.710 145.500-121.360 138.134-174.772 147.137 -5.588 109.285 -55.846 103.313 -64.077 92.681 -11.792 139.633 -93.181 123.772-159.311 169.639 -51.163 123.956-154.701 168.641 170.198 113.459-170.406 151.502-123.529 137.154 -61.996 0.000 0.000 129.323-158.955 139.867 -67.807 123.784-169.982 136.686 -90.824 113.840 88.489 147.799-144.852 93.536 43.697 107.328-117.964 123.378-165.267 0.000 0.000 120.117 176.436 143.684 -17.255 94.722 79.105 134.130 -93.392 94.623 108.242 141.705 -75.528 123.235 -98.749 124.894-105.880 125.817-148.612 148.676 -71.309 127.144 -84.186 142.436-100.234 125.146-162.470 169.717 -46.621 118.642-178.315 153.079-173.066 114.974 106.729 147.031 -86.546 121.544 -91.119 138.717 0.897 95.100 44.800 128.078 -83.173 91.855 53.879 130.016 -76.509 115.524 -9.917 143.830 114.937 93.585 71.966 140.595 -75.916 108.054 -47.854 151.207 -89.113 122.657 175.955 153.006 -0.674 92.398 72.336 91.850 -31.071 91.868 94.681 146.029 -62.188 128.188 -92.580 102.328 -91.811 127.192-169.336 146.555 -88.322 117.982 163.003 108.935-100.904 93.572 86.463 149.377-119.022 116.319 138.391 150.511-115.645 136.139 -83.764 0.000 0.000 124.583-174.803 143.058 -97.319 116.568 -71.527 100.408 -81.888 122.395 -17.340 0.000 0.000 123.233 -97.766 134.318-104.980 125.393-169.519 160.997 36.639 126.750-158.393 166.437 -60.232 122.480 -64.167 140.923-158.416 93.261 -20.695 118.813 -93.218 93.994 87.706 149.475-100.362 132.133-135.001 146.497 -82.515 123.462 -89.870 130.034 -63.948 117.146 -48.601 124.183 -79.723 93.370 83.298 130.879-109.700 92.241 67.826 124.469-113.500 93.451 70.977 136.538 -75.699 92.983 81.334 141.889 -73.658 120.874-117.604 117.229-105.980 118.089 0.000 145.706-165.173 # 170 total E -3.24274E+02 rmsd from N 0.000 %NC 0.00 91.570 62.784 136.474 -70.924 125.535 -83.374 137.164 -81.265 115.712 -63.944 131.993-138.422 91.099 89.278 160.604 -92.082 92.446 106.042 105.844 -53.394 94.125 135.344 166.192 -67.149 93.073 100.424 140.124 -71.260 95.718 -6.866 106.410-126.760 94.450 -76.346 92.126 -66.820 123.314-153.235 176.428-166.840 122.469 9.613 106.900 -90.717 127.257 -94.189 130.192 -91.935 94.351 156.234 139.824-107.292 134.078 -64.378 0.000 0.000 93.392 73.247 138.161 -91.890 127.074-122.113 121.545 -79.702 123.036-169.465 155.737-145.993 128.854-172.373 110.966-106.625 117.953 174.803 0.000 0.000 129.277-143.755 161.793 -22.570 125.978-148.545 145.054-107.513 128.480-166.437 130.902 -73.718 118.407 173.241 125.390-128.707 93.382 78.093 95.732 -32.573 92.442 53.911 131.473 -77.281 101.569 -76.147 84.317 -89.824 91.661 -35.128 101.034 -82.655 112.031-176.506 145.849 -83.555 129.672-159.846 130.071 41.607 123.587-165.109 114.524 -48.130 127.319-164.151 163.887 -92.782 119.683 -92.820 132.128-121.742 95.029 -51.699 138.856 -82.798 91.355 97.171 130.170 -76.694 129.837 165.705 135.808-133.132 92.441 62.222 138.257 -63.508 92.330 178.312 129.367-105.641 116.937 111.019 169.600-169.604 92.006 -42.258 129.284 -76.365 95.388 174.007 116.007 119.790 115.163 -34.206 156.784 160.873 93.757 -4.948 161.510 -41.410 137.598-128.691 0.000 0.000 125.568 -83.377 107.853 -72.067 92.654 54.457 141.782 -37.282 115.035 6.626 0.000 0.000 122.209-148.782 171.547-115.582 125.692 -60.149 151.048 65.334 123.229-155.179 162.683 -67.109 130.233 -89.981 146.967-173.039 122.614-157.255 117.958 -89.204 122.030 -77.679 112.510 -74.043 127.032-160.627 150.771 -90.043 125.081 178.015 157.923 -25.811 92.750 68.471 135.777 -88.444 119.394 161.557 116.407 -77.393 116.866 131.651 163.223 156.999 125.659 -92.242 137.386 -76.248 124.089-165.700 142.950 -85.495 126.895-119.793 140.973 -98.485 118.337 0.000 144.438-169.191 # 171 total E -3.20417E+02 rmsd from N 0.000 %NC 0.00 91.556 64.474 130.509 -48.987 132.029 -91.584 133.603 -83.515 115.148 -65.755 126.181-129.875 91.568 86.127 131.121 -77.115 121.111-126.765 165.739 -95.980 95.331 78.634 140.508 -75.322 114.242 133.394 165.621 -85.828 130.208 -83.696 129.643 142.351 92.178 153.861 95.335 74.560 91.993 74.897 132.646-128.285 92.001 76.012 138.973 -69.666 92.933 71.717 106.087 -88.911 110.621 143.823 109.954-105.554 135.132 -97.059 0.000 0.000 125.548 -92.132 141.507 -81.118 94.566 75.859 133.614-100.319 114.419 166.962 134.400-103.771 124.753 -76.647 110.285-115.625 129.991 -27.140 0.000 0.000 130.914 174.490 148.409 1.374 115.125-171.117 123.958 -52.692 120.447 166.570 172.922-140.142 114.825 103.965 128.039-115.959 127.706 -87.362 122.000 -59.075 107.426 -24.150 144.179 -94.097 124.922-139.061 172.078 -68.033 124.515-153.800 141.465 -32.605 126.913 -75.784 147.319 -82.445 93.301 80.506 112.294 -47.275 128.604 -86.395 140.866 -94.687 127.801-157.515 147.695 -83.957 126.793-134.778 134.383 -79.830 92.239 62.827 120.951 -31.731 91.386 90.706 156.208 -79.010 93.723 67.567 109.423 -82.755 122.937 -75.103 155.463-154.729 92.211 115.296 118.991 -79.277 137.317 -80.834 107.759-107.368 128.437-146.662 148.623 -69.106 114.761 -17.952 175.131 -7.326 124.383-146.921 165.113 5.833 119.376 175.897 171.355 -22.128 117.212 167.954 0.000 0.000 120.057 116.549 169.378-112.906 92.293 -8.623 97.848 -79.336 107.802-136.872 0.000 0.000 125.353-115.519 142.610-106.019 121.995-161.297 169.794 10.852 119.531 10.754 105.882 -68.553 111.005 95.878 119.411 -74.317 94.211 -0.185 146.434-176.664 95.028 -80.081 154.945-155.037 91.457 13.734 129.145 -76.217 121.252-154.789 121.052 -76.400 92.480 109.579 169.246 108.463 94.054 50.151 126.233 -76.231 121.121-141.165 94.548 -97.931 94.510 6.178 143.253-110.090 122.502 178.940 164.078-153.065 129.141 -84.748 164.175 -7.678 118.316 0.000 119.105-119.920 # 172 total E -3.19893E+02 rmsd from N 0.000 %NC 0.00 91.564 65.567 136.365 -50.976 114.773 -57.007 119.277 -99.341 97.647 -37.799 137.001-156.990 91.230 98.485 131.325 -75.725 122.699-128.673 174.543 -76.609 120.448 -79.215 65.264-106.866 92.979 -19.116 121.633 -75.244 105.932 82.147 124.662-131.683 128.073 -87.709 81.275 88.904 135.144 -25.826 175.645 8.754 127.407-162.198 129.521 -96.185 113.990 95.871 126.685 -92.682 114.595 -70.895 130.626-129.827 112.519 -19.748 0.000 0.000 113.069 147.487 143.149 -86.425 125.542-100.742 142.557-102.422 125.221-170.057 164.276 1.084 121.181 -70.895 118.671-120.522 119.277-167.763 0.000 0.000 126.518-129.785 138.111 18.233 121.705 -76.484 141.221-105.393 127.975-156.265 158.869 24.912 120.346 -57.974 83.219 -88.320 117.348-145.486 154.330 -99.862 118.992 92.821 141.376 -95.234 93.417 11.146 137.973 -92.288 93.015-122.272 104.134 -87.035 136.913 177.424 117.131-147.682 125.692 113.823 109.493 68.846 117.872 -77.656 143.485 62.676 92.051 -29.956 131.045 -76.480 117.380 119.112 132.107 65.563 124.769-107.352 140.078 -94.873 119.278 164.292 144.678 -78.454 112.548 -52.892 127.143-145.424 92.898 -7.854 139.226-132.160 120.469-139.183 114.965 -67.060 129.424-108.586 150.471 42.125 91.633 76.307 132.688 -74.456 112.014 132.451 156.983 -25.735 118.906-106.414 159.641-135.828 117.376-173.775 157.341-116.619 119.105 169.605 0.000 0.000 126.777-168.058 128.464 -68.780 93.113 61.172 139.657 -22.352 126.640 -10.704 0.000 0.000 121.589 -91.543 170.097-102.085 123.627-160.033 101.067 -71.645 121.585-177.726 129.118 -81.588 131.757 -74.628 143.111-117.309 120.513-159.773 126.220 -86.906 93.261 100.607 142.927 -96.926 91.858 4.382 129.205 -76.182 100.029 -84.987 129.030 -91.609 120.338-163.293 163.747 -89.531 129.003 -84.045 105.783 -97.956 93.569 75.954 157.216 109.747 94.419 101.598 124.642 -87.919 120.698-105.067 115.613-120.160 95.185 60.415 140.846 -73.795 117.319 0.000 140.199-176.992 # 173 total E -3.18778E+02 rmsd from N 0.000 %NC 0.00 125.580-148.424 128.877 -91.494 122.779-142.623 115.202 -81.485 110.091 -74.633 143.500-165.084 92.360 -18.117 148.959 -77.811 94.827 94.931 143.453 -80.080 124.655-124.758 176.433 -84.945 116.194 -39.314 68.558 -92.052 129.723-177.189 147.992-169.805 120.136 174.559 81.544 -78.522 92.260 54.713 176.466 -19.254 91.716 64.442 110.898 -87.707 92.176 52.023 136.015-127.900 102.987-106.528 118.347 -95.960 95.476 95.465 0.000 0.000 126.730-164.135 139.449 -67.134 122.484-176.165 135.243 -81.631 126.004-146.846 161.206 179.925 107.432 21.320 103.817-114.884 95.021 112.146 0.000 0.000 122.032 -79.849 141.342 -18.059 95.918 -16.875 140.520 -69.912 131.405 179.594 133.054 -88.398 94.712 49.939 148.415 -78.025 116.855 -76.832 96.419 -37.618 120.192-153.531 164.966 -96.873 132.371 -39.065 143.222 -66.749 133.042-143.608 134.873 -86.060 127.664 -99.222 145.726 -77.689 126.554-157.152 147.811 169.269 126.235-167.443 135.948 -95.224 117.133 -70.387 142.346 -66.630 106.613 -61.619 154.848 -81.621 92.777 78.804 139.417 -91.086 118.088 153.155 153.640 -80.609 93.420 72.099 172.333-177.234 93.008 127.649 132.218-119.431 124.784 -80.755 128.427-117.862 127.979-166.785 152.750 172.271 111.854 91.043 153.519 -91.669 108.517 129.135 109.425 -94.129 119.249 -81.731 107.456 -82.602 93.163 7.683 144.044-106.710 122.644-140.018 0.000 0.000 128.028-103.538 166.268-138.988 116.833 -66.805 100.385 -80.397 123.297 -12.289 0.000 0.000 126.607-119.267 132.066 -85.680 132.412-102.010 163.141 172.529 127.110 -82.849 121.585 -77.131 125.185-172.680 133.521 162.014 120.893 174.464 118.528 -85.734 112.187 100.536 111.025 -74.183 91.884 111.054 129.878 -76.457 124.145 -98.424 117.121 -53.391 119.759-148.834 154.620-100.457 94.229 81.216 140.358 -76.359 93.233 65.351 122.203-108.013 111.966 -85.445 92.292 -89.291 115.277-178.278 167.152 -72.917 127.007-113.153 141.818-139.225 117.858 0.000 148.196-140.265 # 174 total E -3.18183E+02 rmsd from N 0.000 %NC 0.00 91.604 108.788 129.281 -71.736 129.044-141.179 144.686 -69.648 104.960 158.805 142.494-160.979 91.955 55.354 130.454 -77.144 135.996-169.887 136.331 -93.505 123.534-153.803 122.345 -92.705 94.662 21.164 140.521 -75.386 110.433 80.653 168.255 18.779 127.346 -72.774 139.487 64.328 121.962 -70.489 129.176 -97.650 127.498 -91.195 128.098-100.220 125.328-117.776 166.105-114.659 94.668 114.013 149.477-132.432 117.765 -12.363 0.000 0.000 115.200-147.426 129.632 -72.392 123.197-170.062 126.577-101.904 121.743 -82.486 158.603-179.583 114.047 -63.896 104.050-113.090 94.195 76.004 0.000 0.000 93.517 105.769 138.518 25.985 94.155 -8.261 146.838 -75.619 96.308 -78.798 174.517 -87.231 95.089 -17.987 118.489 -87.881 92.768 115.185 143.094-118.296 91.249 77.339 137.726 -77.577 92.338 61.987 143.299 -76.106 92.659 65.367 147.920 -24.784 105.989 166.506 103.724 -96.769 131.963-162.262 153.596 -65.588 129.664-135.446 164.809 -60.152 122.229 -80.441 136.767 -77.919 124.380-133.933 140.990 -58.307 130.105-146.101 157.711-108.701 130.837-124.451 145.510 -81.780 129.332 -91.591 166.799 165.247 126.601-154.255 131.475 -97.680 124.476-161.122 152.366-101.228 130.524-117.063 147.500 179.121 127.398 -88.957 145.223 -83.056 94.500 -39.506 125.822-153.003 119.827-165.579 159.001 -17.643 119.713 179.091 163.200-148.586 124.986 172.077 0.000 0.000 121.931-178.291 143.049 -91.873 94.742 164.879 137.701-134.073 135.542 -74.225 0.000 0.000 124.157-160.212 168.552-110.660 122.969 -57.215 166.968 24.624 123.207-157.639 137.994 -92.591 124.962-169.268 142.648-146.303 93.534 49.413 144.703 -96.319 93.831 71.287 143.747 -93.512 92.140 -43.489 129.312 -76.480 127.299-146.533 138.015 -62.712 109.380 158.136 134.600 -68.199 101.385 -57.236 100.900-113.751 91.988 28.076 173.300 7.301 117.952 -81.795 81.191 -63.096 120.507-142.350 140.782 -97.048 129.186-126.182 100.363 -34.483 117.124 0.000 160.807 168.117 # 175 total E -3.12853E+02 rmsd from N 0.000 %NC 0.00 125.957-138.108 143.724 -90.981 126.491-155.621 125.874 -81.430 93.086 72.535 104.852 -96.810 104.543 -44.721 139.482 -94.175 120.349-163.837 148.253 -66.490 94.368 -34.062 138.262 -71.123 96.363 -98.607 141.008-121.186 93.467 36.392 110.589 -88.646 93.333 71.662 97.423 -75.393 92.384 -36.990 171.195-174.813 125.339-173.768 170.345 -56.084 126.335-170.589 160.875-112.862 113.928 174.226 115.639 -82.080 127.393 165.171 0.000 0.000 109.772 107.959 156.274 -93.705 126.546 -95.019 159.177 -35.276 117.058-155.205 155.991-166.674 135.256 119.935 120.562-114.463 101.552 -11.986 0.000 0.000 95.113 -77.218 176.536-172.888 120.280-161.188 164.879-108.895 129.816-170.995 85.773 -99.797 94.456 47.170 121.273 -79.659 92.750 82.575 126.445 -72.295 91.319 114.216 135.575 -84.507 93.129 -2.924 141.333 -77.517 95.180 -87.363 147.493 -27.812 124.947-161.746 164.896 -96.032 126.488-162.906 139.887 15.256 124.238 178.536 137.820 -86.762 116.188 100.451 145.341 -81.850 126.159-109.994 152.425 -77.033 125.263-167.331 156.394-127.276 108.592 67.928 147.438 -88.054 116.829 169.147 151.786 -3.685 119.682 160.758 121.794-129.434 91.875 65.584 138.837-121.305 121.195 172.174 156.721 177.617 110.891 98.472 148.267 -82.152 112.113 123.390 136.278-161.382 119.995-107.570 158.444 -25.342 115.559 -69.951 166.764-152.927 129.319 -31.344 0.000 0.000 125.017-166.489 142.396 -96.141 120.396 -79.816 99.390 -81.034 123.418-170.108 0.000 0.000 122.597-172.558 167.617-125.036 126.260-177.890 165.715 1.488 121.136-178.825 165.310 -78.473 94.119 82.302 132.145-153.904 93.266 81.371 142.213-133.213 113.816-149.356 145.948 -29.805 132.649-137.951 162.248 -86.417 121.317 -59.933 143.173 -76.935 123.968-150.413 175.270 -97.287 126.317-146.804 126.148-108.909 130.640-104.513 116.393 -88.783 94.605 71.227 136.849-103.273 93.106 83.497 142.073 -72.070 119.149-141.612 113.197 -96.008 119.324 0.000 126.557 141.652 # 176 total E -3.11143E+02 rmsd from N 0.000 %NC 0.00 91.568 62.389 137.982 -77.788 125.881 -88.097 136.788 -84.519 115.917 -94.787 145.738-163.032 94.464 -37.259 131.242 -77.175 95.403 101.678 141.291 -72.724 95.089 44.083 148.781 -76.538 94.986 64.663 122.192 -52.957 110.369 141.860 121.593-139.176 92.348 96.079 118.707 -56.675 106.834-115.092 124.994-126.539 132.036 170.027 170.062 -80.326 97.147 -41.131 145.766-108.514 92.715 -18.904 158.977 -15.897 119.701 -6.255 0.000 0.000 126.361 -94.884 96.314 -93.550 93.980 93.764 163.553 -99.634 92.133 85.559 163.033-153.949 92.210 4.167 142.321 -76.029 106.075-101.802 0.000 0.000 124.263-148.444 146.365 30.798 126.851-144.339 133.359 -51.077 128.327-117.629 136.558 -96.086 126.923 -89.217 135.148-117.769 122.464-168.106 170.140 -18.502 91.529 87.367 131.793 -78.104 93.438 82.700 140.039 -77.272 114.932 -92.619 99.373 -83.576 128.026-158.113 147.837 -79.703 125.536-136.097 145.285 -23.414 126.587 -86.427 167.422 -67.028 128.115-158.753 148.532 -82.268 124.962-150.821 149.121 -29.269 124.900 -75.866 154.143 124.780 92.211 -16.398 129.608 -76.337 122.177 170.142 118.728 -75.258 93.060 69.467 139.054-114.525 112.984 -79.677 143.793 -46.750 117.495 171.671 135.367-122.814 112.222 89.296 156.626 -85.123 124.691 -83.534 140.812-163.279 120.721-167.950 161.515 -15.826 119.598 178.399 171.970 -18.824 125.153 172.301 0.000 0.000 123.004-172.378 144.340 -99.692 121.321-175.960 145.731 -14.940 122.334 171.299 0.000 0.000 122.245-171.870 167.173-163.721 94.402 103.520 176.538 41.535 126.298 -56.232 141.803 -74.868 112.532 3.281 138.934 -45.069 92.693 75.797 158.164 -9.754 92.465 -35.282 145.461-159.707 114.647 80.080 124.536 -94.379 132.491 -91.835 127.676 -76.962 118.937-162.029 152.396 -91.383 131.863 159.915 143.667 -87.020 93.673 84.270 169.828 3.335 124.534 -90.240 112.160 -96.869 124.692-167.619 170.172 -81.274 127.001-116.152 144.506-108.891 118.301 0.000 144.457-160.241 # 177 total E -3.09083E+02 rmsd from N 0.000 %NC 0.00 91.585 63.846 152.674 22.588 129.902-152.484 140.561 -83.178 110.389 -81.841 150.411-172.871 92.841 -2.195 130.757 -76.988 96.858 76.144 142.759 -77.301 135.348-137.166 165.619 -11.067 126.149-129.187 134.730-128.806 116.608 126.053 169.016-177.462 121.428 -85.438 104.397 -60.961 116.105-151.114 161.518-152.892 136.292 -80.566 117.731 -97.368 111.250 -36.551 161.359 156.772 93.953 -54.122 139.050-108.297 95.541 110.178 0.000 0.000 94.011 68.108 116.817 -79.131 132.364 -34.220 176.485 -46.634 93.249 -58.827 123.099-104.004 122.102 -69.404 100.093 -95.560 117.006 -12.551 0.000 0.000 117.341-101.508 149.257 9.344 129.456-174.995 127.719-125.691 122.498-172.904 136.385 -70.513 129.458-170.290 139.212-116.893 125.508 -93.634 147.029 -62.954 91.293 59.316 156.722 -87.441 93.171 84.529 119.747 -95.905 93.019 121.730 151.208-160.132 117.500-130.172 141.601-105.154 137.354 -78.861 134.048 55.514 127.244-169.940 170.151 4.674 91.206 91.250 130.148 -76.974 92.996 101.741 134.582 -91.759 124.137 -68.795 45.978-134.963 92.625 -56.762 129.245 -76.410 133.265-160.572 153.402 152.459 123.593-169.209 146.942 60.840 108.385 90.396 149.900 -94.212 119.425 164.495 98.150 -88.342 108.270 106.905 154.747 -64.762 93.698 56.087 110.588 -97.035 93.123 166.464 146.962 -93.521 117.191 156.640 176.454 -12.065 129.940 -62.525 0.000 0.000 93.196 28.595 101.764 -78.143 115.883 -99.283 145.022 -29.177 133.287 -89.768 0.000 0.000 124.250 93.899 137.331-115.275 126.393-106.869 140.716-108.190 127.000-145.732 176.414 -39.352 133.339 174.346 136.090 105.641 114.195 -65.891 150.447-138.194 116.043-163.213 111.714 -72.773 129.812 168.588 149.260 -84.464 94.816 81.383 142.062 -74.516 124.156 -85.805 131.635 -87.488 124.846-135.964 138.005 -81.477 132.645-129.291 159.242 156.225 128.961 -98.388 169.179 -58.743 127.381-165.543 140.861-101.438 126.108-118.764 163.857 -38.757 118.986 0.000 135.769-172.176 # 178 total E -3.08072E+02 rmsd from N 0.000 %NC 0.00 125.616-145.183 135.708-101.396 128.116 -87.826 134.670 -91.014 131.475 150.247 105.102 -96.400 122.756 -66.621 143.284 -95.162 93.784 73.008 142.481 -76.972 123.870 -72.612 158.332 24.327 128.394-156.449 138.913-112.547 131.400-101.577 150.713 119.976 126.882 -92.135 94.291 -68.796 120.970-146.378 160.028-122.659 120.532-172.180 123.035-100.227 125.788-148.235 133.062 -88.701 119.973-147.870 168.866 177.337 134.731-102.496 0.000 0.000 127.706 -94.958 138.259 -78.957 124.237-127.141 173.127 -90.093 129.333-106.492 166.707 176.222 93.387 58.578 105.978-118.339 133.879 -32.651 0.000 0.000 92.686 66.717 116.535 -45.560 96.128 110.745 134.949 -67.203 92.492 -34.547 147.460 -67.815 92.421 -60.547 139.190 -75.244 91.857 38.744 148.051-117.792 125.670-178.543 145.498-105.082 128.880-167.304 102.040 -50.013 113.999-172.407 148.985 -19.629 131.592-162.046 145.617 -97.327 118.424 -69.290 142.093 1.634 124.741-154.395 134.837 -92.179 128.181 -80.054 148.424 -84.299 119.626 -12.528 154.902 -71.365 128.214 -98.132 142.549 -52.622 128.854-163.974 151.765-102.047 118.872 163.535 132.280 -36.292 93.278 86.140 107.362 75.677 122.486 -95.730 138.499 -99.703 127.667-165.576 151.340-153.463 127.154 -84.748 149.934 -65.161 116.344-159.069 105.153 -95.829 123.463-174.842 123.533 -85.551 117.178-168.075 121.708 -95.061 139.005 -81.064 0.000 0.000 127.396-148.417 132.591-110.384 117.581-157.350 143.598 -28.550 138.739 -86.957 0.000 0.000 125.521-165.145 167.019-117.093 124.954-162.385 163.972 22.972 124.290-154.044 165.894 -54.886 129.145-121.103 163.431 -11.031 92.212 41.878 144.504-106.883 92.248 47.270 143.808 -42.515 91.406 46.206 128.890 -76.018 93.487 49.795 141.893 -79.192 92.010 63.784 136.868 -79.311 94.790 -45.232 106.606 -78.245 125.304 170.533 174.083 156.257 114.143 122.012 165.567 -51.945 124.436-112.937 121.688-114.035 126.548-120.867 167.850 -75.478 118.714 0.000 139.857-173.212 # 179 total E -3.06261E+02 rmsd from N 0.000 %NC 0.00 125.647-147.429 130.583 -95.555 127.464-176.387 150.470 -92.507 93.634 117.764 101.483 -80.149 93.144 -82.896 129.510 -77.540 118.529 -19.029 167.801-101.519 94.010 105.020 146.747 -74.117 93.875 101.861 140.164 -73.550 107.705 129.771 119.380-138.308 91.793 97.213 112.192 -38.769 106.462 162.953 117.426-102.589 123.433-165.556 168.009 -56.911 111.205 166.858 162.841-153.071 104.975 -59.152 101.039-121.450 92.499 20.068 0.000 0.000 117.944 -77.541 135.752 -63.579 129.578 -91.373 150.446 -99.970 118.349 169.606 123.706 -88.390 106.785 -59.740 111.121 109.519 92.789 52.329 0.000 0.000 107.672-163.905 124.931 -27.886 116.499 80.908 138.275-117.756 95.102 154.205 105.932 -58.595 110.424 168.035 114.133-119.098 117.237 50.888 155.369-104.913 119.563 -71.307 148.537 -90.522 122.418 7.024 165.960-138.624 93.590 -27.445 104.200 -88.109 125.732 144.409 148.741 -75.282 124.401-113.349 135.422 38.366 129.104 -86.922 105.531 -72.640 126.407-164.361 147.117 -69.286 116.087 175.042 139.923 135.584 93.640 54.408 135.105-122.574 125.896-118.266 147.919 -85.790 121.129 135.768 176.455 152.914 92.878 26.659 131.836-138.427 113.085-110.288 130.734 -44.706 93.436 80.057 111.745 -63.786 91.716 83.698 128.975 -76.263 126.624 -84.379 154.437 -29.896 124.244-160.452 160.448 -11.180 108.973 -50.856 123.434 -89.856 119.221-163.916 0.000 0.000 124.329-168.421 145.665-104.852 120.488-167.398 153.030 -15.938 136.725 -84.619 0.000 0.000 93.883 63.506 118.311 -94.218 115.499 170.514 126.668-120.045 128.042 -64.709 144.585-121.288 132.715 -16.157 76.633-100.983 94.791 -63.044 144.628-130.098 120.336-175.217 144.761 -32.089 126.915 177.836 176.425 -85.858 94.664 56.699 142.322 -74.479 93.913 72.000 132.319 -82.362 93.842 -66.697 118.237 -87.070 94.855 -51.875 88.482 -84.036 96.503-177.116 137.459 -96.661 92.999 93.820 113.305 -28.701 124.391-120.656 110.114-114.488 118.121 0.000 146.627 178.656 # 180 total E -3.03565E+02 rmsd from N 0.000 %NC 0.00 91.541 52.657 157.890 -36.862 95.204 99.303 114.108 -83.026 121.629 76.673 111.037-105.180 116.119-115.809 138.747-102.234 93.151 46.969 143.559 -77.527 94.406 66.834 113.600 -72.038 94.730 90.330 143.159 -73.871 119.549 -53.651 108.535 -93.114 123.877-145.134 127.550 -45.953 124.625-157.474 149.958-107.217 123.269-115.251 167.417 -66.300 92.757 60.150 138.037-112.738 113.938 -36.143 114.316 -97.657 130.860 -9.201 0.000 0.000 139.753 -67.592 141.145 -82.186 128.239-141.459 166.472 -17.184 128.845-158.582 161.699 177.989 125.034-170.951 112.660-116.367 132.881 -61.295 0.000 0.000 121.410 -78.198 138.156 -12.233 126.810-157.261 115.194 -67.006 119.979-166.366 127.019 -93.525 127.369 -86.668 139.039-128.867 126.328-148.338 159.082 -51.446 126.448 -82.451 143.670 -95.117 125.142-163.448 143.982 -80.833 120.060 177.115 150.186 -21.512 111.971 94.316 147.012 -85.914 115.381 122.331 140.028 -16.503 125.231 -96.378 137.495 -88.837 128.583-153.135 149.129 -82.005 125.674-104.752 154.623 -73.205 126.184-144.862 147.903 -95.817 126.761 -72.297 150.470 -87.384 123.287 179.851 143.535 -26.405 114.253 107.341 131.416-149.778 91.481 -11.744 140.481-115.299 97.196 -75.034 134.209 11.511 128.153-151.568 167.080 -84.331 114.931 -21.919 82.345 -94.118 94.344 137.703 158.238-137.192 121.958 12.665 157.398-144.084 121.242 -4.499 0.000 0.000 96.745 -59.787 130.944-102.865 92.931 48.802 95.325 -83.138 131.688 -58.314 0.000 0.000 116.743-175.858 150.494-114.672 129.926-165.436 169.066 11.442 117.687-177.195 120.834-136.198 94.343 83.731 120.760 -49.192 93.884 -65.604 144.099-126.560 94.709 120.007 147.111-110.318 128.373-110.404 165.864 -93.543 131.066 -90.097 94.176 -72.927 110.522-158.709 154.793-131.717 132.880-137.265 161.252 22.400 109.259 -42.664 115.589 -79.638 128.789-141.275 144.934 -72.362 124.896 -93.659 118.645 -79.123 128.848-112.038 170.858 -88.203 118.710 0.000 137.439-158.282 # 181 total E -3.02169E+02 rmsd from N 0.000 %NC 0.00 91.562 61.049 136.261 -74.938 124.397 -79.094 132.783 -90.780 118.014-140.668 119.471-118.057 123.613-177.023 147.789-106.250 93.472 77.697 140.810 -74.086 95.082 89.480 165.687 -90.716 122.910 -98.604 175.683 -72.282 93.525 87.070 123.592 -66.089 91.770 60.639 93.863 -86.080 118.665-122.310 103.459 -90.594 93.710 75.156 118.288 -90.866 121.935 129.318 129.242 -89.297 128.090-170.333 176.490 170.465 93.986 74.611 0.000 0.000 94.171 -64.579 126.850 -79.117 127.344-162.998 171.485 -87.439 120.942-150.896 176.444-172.529 121.675 -51.092 114.946-119.660 94.950 170.996 0.000 0.000 121.917-171.757 134.251 -64.220 119.216 167.196 165.621 -26.225 94.444 91.018 118.048-124.982 94.789 99.459 114.621 -87.339 108.691 142.330 130.425 -65.686 123.299 -95.561 141.053 -98.903 124.747-164.353 170.148 -78.907 117.540 175.434 102.437 -92.509 91.553 76.742 129.454 -76.192 92.135 68.192 116.893 -44.044 93.675 75.547 141.341 -72.574 91.146 119.830 129.040 -76.202 87.289 -53.009 129.328-118.392 93.421 -38.966 139.129 -98.499 120.171-156.538 146.586 -88.954 127.743-173.506 163.096 0.375 124.271-157.529 127.973-133.932 128.341 -85.149 132.798 -52.867 126.871-171.470 169.570 144.926 110.141 -10.270 143.291 -82.697 116.747 -92.633 105.067-100.034 118.966-165.026 124.252 -80.961 122.756 -39.960 119.660 -97.033 94.978 92.023 0.000 0.000 109.145 -89.923 101.748 -83.287 112.628-175.431 147.703-153.682 133.267-177.533 0.000 0.000 121.627 -74.751 167.723-100.113 117.830 82.639 93.474 -95.964 141.863 -15.389 170.277 -94.337 116.123 76.662 91.281-102.748 90.874 -68.010 174.161 -3.610 92.555 -19.299 148.798 -23.670 91.975 104.780 127.088 -74.908 132.839 12.762 173.304 -75.814 135.669 -79.535 145.024 -75.352 123.766 -29.460 139.737 -71.013 119.001 -24.678 110.185 -86.997 120.346-156.163 105.184 -58.388 122.420-175.315 125.382 -96.691 126.215-132.540 134.974-115.805 117.984 0.000 146.725 149.923 # 182 total E -3.02162E+02 rmsd from N 0.000 %NC 0.00 91.606 -1.837 126.449 -88.481 123.280 -96.327 171.183 -94.240 127.616 28.044 115.288-106.857 91.789 -50.642 130.269 -77.079 119.337-172.451 145.561 -91.599 130.079-171.172 154.656 15.509 113.928 168.153 111.871 -54.662 111.500 117.132 121.642-128.699 92.180 61.865 120.819 -56.220 92.398 158.023 119.974-116.934 125.039-175.975 144.308 -86.844 119.806-169.860 140.339 -99.233 120.675-172.575 165.945 -14.606 132.183 -73.501 0.000 0.000 122.594-178.326 146.269 -70.198 117.645 174.512 114.744 -90.186 117.761 91.451 141.576-130.481 93.457 -53.954 109.943-124.052 110.297 -35.304 0.000 0.000 116.180 171.128 143.091 17.684 94.613 69.648 141.168 -72.936 94.396 111.570 146.962 -75.841 123.509 -81.075 126.740-108.889 120.693-157.106 166.864 -68.438 91.305 82.347 155.791 -84.905 92.476 59.845 130.127 -82.790 92.016 63.569 143.459-145.969 91.518 71.261 127.796 -75.969 119.482 -89.573 138.233 -3.803 128.877-154.338 118.424 -54.758 122.668-150.060 146.807 -83.309 128.524 -89.803 160.236-152.726 113.271 -4.071 135.774 -85.553 92.011 123.794 129.597 -76.309 130.047-125.549 176.419 157.349 133.165-162.831 83.942 -72.762 107.560 -40.701 143.980 50.763 126.801 -18.144 105.647 -78.733 138.129 -81.848 146.215 -79.738 110.120 67.348 156.685 -16.137 123.126 -86.457 120.410 -82.488 94.372 163.910 145.086-105.823 134.326 -94.154 0.000 0.000 95.688 60.436 133.082-106.788 94.967 -88.359 146.672 9.368 108.097-128.981 0.000 0.000 132.560 -84.477 158.481 84.641 126.025-126.234 158.813 170.692 127.971 -97.454 112.960-102.505 92.982 90.724 130.963-161.242 92.056 89.614 164.296 -12.240 92.014 80.319 144.848 -21.226 91.460 14.559 129.313 -76.038 101.780 -84.115 128.519 -92.207 124.434-157.333 150.861 -74.764 125.891 -75.266 118.329 -66.889 95.311 -8.750 131.788-117.504 123.968 161.755 158.179 48.807 94.164 86.708 164.222 160.275 126.895-111.655 128.391 -83.810 118.762 0.000 135.551-155.615 # 183 total E -2.95999E+02 rmsd from N 0.000 %NC 0.00 126.146-127.977 149.549 -82.675 127.376-101.057 131.676 -80.159 115.332 -86.086 141.617-155.905 102.713 3.351 151.028 -84.161 93.936 80.260 141.564 -75.898 126.576 176.696 159.728 -14.442 94.058 62.511 139.924 -77.230 125.455 -82.463 130.095 130.730 121.415-158.822 117.632 54.902 121.706-174.004 159.603 -28.074 119.801-174.065 137.461 -86.527 122.832-172.067 162.284-151.060 117.352 171.936 151.291 -58.528 113.802 30.691 0.000 0.000 113.221-170.672 135.052 -67.502 118.374 177.253 175.725 -71.434 114.348 85.431 147.096-129.559 93.579 129.607 106.724-121.819 122.931 166.421 0.000 0.000 124.250-170.657 141.290 -14.739 123.321-176.028 145.369 -93.203 94.042 77.523 142.789 -75.390 93.840 96.317 141.346 -75.854 92.653 61.428 128.497 -63.271 91.759 150.162 131.570 -77.737 127.040 172.762 132.118 -76.104 92.787 60.962 146.971 -24.149 91.635 140.492 128.140 -75.246 92.719 45.522 120.255 -8.409 124.166-156.023 167.161 -16.757 125.017-157.483 147.079 -89.058 128.954-103.393 148.255-111.549 118.016-176.252 116.313 -32.435 113.717 100.526 153.631 -96.206 119.424 -69.068 156.939 7.112 114.735 68.068 137.287-107.946 92.325-103.747 111.272 -39.453 119.636 159.442 164.643-178.820 91.416 64.771 130.383 -77.406 119.915 177.053 141.360-171.110 125.684 78.549 164.870 -5.171 94.933 23.926 152.506 -51.761 122.888-158.855 0.000 0.000 111.661 105.823 121.611 -79.472 91.619 -24.467 131.298-130.192 97.775 -56.121 0.000 0.000 121.960-169.141 150.427-109.866 128.777 -20.588 162.192 6.242 136.261-100.235 144.859-102.782 137.839-149.852 148.092 13.602 116.374 -95.219 163.617 -18.261 128.752 88.359 116.668 -66.288 92.920-109.357 131.494 -78.065 122.852 142.033 150.023 32.904 92.034 86.297 130.331 -90.568 135.185 -87.399 132.746 -67.981 128.464-144.257 173.531 150.395 124.047 -88.827 154.408 155.316 125.483-164.668 170.378-107.496 128.163-125.749 149.531-113.109 117.708 0.000 154.576 -4.808 # 184 total E -2.95331E+02 rmsd from N 0.000 %NC 0.00 126.102-131.308 147.310 -81.488 126.067 -89.152 116.853 -87.998 116.558 -97.726 129.647-133.617 91.325 62.821 131.004 -77.521 93.206 47.010 175.975 -72.772 93.903 74.063 147.110 -78.570 93.557 -23.284 106.746 -44.267 111.983 70.710 171.436 11.264 135.482-125.291 150.577 -17.649 111.305 -70.029 141.198 -70.714 93.760 -7.626 139.028 -72.935 120.759 124.890 167.013 128.958 118.236 104.364 122.041 -85.258 133.295 -91.387 0.000 0.000 92.882 48.530 144.156 -93.659 120.453-112.711 120.873-118.020 92.827 94.165 153.365 -27.466 125.168 -91.820 109.222 102.184 128.250 -21.790 0.000 0.000 113.621-178.275 168.405 -78.889 93.218 79.002 145.489 -77.353 92.863 46.419 96.639 -68.985 94.012 43.306 141.715 -78.258 92.236 46.003 134.754 -79.497 91.316 46.878 130.106 -76.651 92.368 46.765 141.422 -97.580 92.328 70.531 144.285-149.697 91.609 -37.058 127.419 -75.928 121.423-122.865 134.964 32.478 94.229 78.103 133.994-101.009 91.733 116.385 130.397 -76.577 125.142-116.164 146.503 151.368 125.898 -83.552 139.840 -9.425 92.490 -4.193 130.349 -77.118 95.455 92.565 165.164 4.273 120.495 165.992 131.515 128.250 112.493 110.762 146.281 -74.460 128.240-103.775 151.554 -15.472 127.967 -91.894 143.129 -80.803 93.879 153.875 155.686 -21.172 93.328 81.023 149.705-133.157 117.760 169.507 150.154-115.604 122.614 170.215 0.000 0.000 93.163 61.632 131.317-112.081 93.043 36.638 89.974 -84.675 121.891 2.931 0.000 0.000 93.989 75.837 106.277 -77.545 125.730 -51.888 167.287 -10.529 95.740 84.540 122.951 -98.600 129.782 -82.411 138.834-155.389 121.875-159.690 161.230-143.353 121.192 -76.653 155.926-128.240 127.521-159.659 146.268 -82.302 126.802-158.738 139.423 -87.231 125.635-149.408 147.515 -87.175 126.756 -79.578 142.355 -89.797 127.753-160.185 115.269 -85.048 122.358 179.725 127.018 -78.875 112.688 100.781 126.481-126.396 94.868 84.504 140.951 -75.246 117.960 0.000 131.230-146.431 # 185 total E -2.93510E+02 rmsd from N 0.000 %NC 0.00 110.484 -12.183 153.783 55.173 95.133 84.380 119.705 -83.981 92.978 85.357 104.413 -90.622 91.557 136.628 129.594 -74.069 92.166 93.064 104.060 -92.999 94.351 26.328 124.063 -86.134 102.622 -81.542 124.656-125.595 129.182 -19.414 119.368 -95.718 126.647-118.204 99.647 -74.151 122.543-176.914 169.167 -20.836 120.443 179.122 165.911 -71.221 116.524 83.249 161.300-150.395 114.292-116.822 149.095-122.809 120.351 174.648 0.000 0.000 123.271-177.272 176.483 -86.259 94.325 72.768 142.999 -75.361 92.616 89.059 117.290 -84.747 128.209-126.945 133.424 111.677 127.526-102.731 0.000 0.000 125.192-111.429 139.114 -7.275 129.532-162.575 129.706 -57.667 116.563-179.007 139.591-104.326 128.576 176.013 150.814-115.066 92.869 64.566 134.829 -71.394 91.574 150.339 152.164 -84.917 92.639 57.522 142.536 -79.384 91.917 48.637 147.217 -26.175 91.553 65.130 127.383 -75.921 92.483 85.745 112.440 -62.703 119.099-107.780 153.518 47.374 130.988-159.415 150.521 -90.148 123.679-148.853 152.790 -71.248 126.706 -86.112 165.859-118.350 127.964-154.616 149.965 -97.941 129.901-127.026 153.911 1.688 122.341 -71.488 130.339-119.361 114.756-167.406 131.799 -46.867 93.899 80.934 164.301 179.789 91.542 80.891 130.459 -75.941 114.148 -57.439 159.670 -37.929 122.152-170.622 153.122 -20.452 96.119 -62.841 141.676-106.000 93.888 11.726 0.000 0.000 123.609 -95.853 118.353 -74.197 92.477 23.588 96.957 -78.674 120.415-157.235 0.000 0.000 125.793-155.780 163.760-167.673 127.908 -57.979 162.103 33.598 94.526 55.949 157.035 19.835 115.356 160.620 59.669 -73.889 93.032 63.900 150.076 -34.650 163.807-178.459 103.833 -70.559 91.426 -8.251 129.343 -76.551 96.224 78.472 140.875 -73.044 130.478 -31.117 158.129 -90.298 129.603-144.328 136.978 -95.319 93.573 45.959 171.790 -13.952 122.788-119.193 173.190 -73.943 122.639 -98.777 110.882-103.738 125.937-102.981 141.269-135.362 107.966 0.000 115.402-119.951 # 186 total E -2.92115E+02 rmsd from N 0.000 %NC 0.00 126.104-129.460 150.905 -83.628 127.223 -87.127 129.245 -67.069 113.761 -71.332 139.562-152.843 108.895 -23.001 149.933 -86.237 124.378-164.819 138.096 -72.683 121.919 -51.499 136.172-122.553 94.994 136.985 134.412-102.366 112.745 114.539 129.212-131.189 123.064 -95.924 115.758 -52.462 121.425-157.499 152.169-111.574 124.870-157.230 148.926 -82.852 124.929 -66.016 169.158-165.317 94.350 176.383 138.459-104.659 118.358 40.273 0.000 0.000 120.171-168.873 144.738 -71.985 112.394 166.483 158.107 -82.337 92.846 87.149 139.009-125.365 118.475-106.887 121.479-116.984 129.923-175.596 0.000 0.000 104.644 11.360 114.189 -48.867 127.133-132.521 127.125 -62.382 95.169 56.376 136.947 -95.583 133.169 -91.137 128.778 -75.060 120.938-152.973 130.483 -80.216 130.227 -77.016 125.249-121.316 120.067-176.708 164.936 -72.396 93.339 54.726 148.667 -22.690 92.019 114.439 128.647 -75.763 94.565 32.812 134.293 60.109 98.221 -84.830 102.060-150.507 92.126 -5.355 129.710 -76.235 94.835 99.814 143.171 -84.046 126.853 -94.467 153.401 142.630 128.908-170.517 149.456-106.051 94.392 76.732 163.214 -2.078 136.767-145.297 128.220 125.289 105.689 -42.474 149.626-172.249 118.117-156.055 154.340 4.102 130.168 -98.438 159.030 -88.978 94.027 112.023 101.541 -73.840 118.445 -93.131 147.693 -46.507 94.493 158.135 149.487-104.634 117.420 36.598 0.000 0.000 118.550-164.928 139.554-113.091 122.611 -74.212 114.087 -80.089 123.565 -4.707 0.000 0.000 94.353 111.617 111.829 -74.410 127.577 -77.131 54.526 -76.944 125.449-166.817 138.167-116.540 118.855 162.601 158.173 -14.145 93.176 73.160 141.213-135.922 93.248 77.659 143.770 -99.029 92.019 -55.547 130.003 -76.552 125.312-167.197 161.550 -26.419 113.406 126.640 134.409 -75.784 126.544-111.158 129.498-109.939 94.372 74.772 171.874 7.194 128.000 171.879 157.885 -39.195 115.295 177.130 166.883 -75.597 127.222-109.890 139.690-132.555 117.735 0.000 146.834-130.390 # 187 total E -2.91197E+02 rmsd from N 0.000 %NC 0.00 126.116-133.066 147.234 -81.033 122.762 -59.127 133.856 -99.577 100.747 -37.164 136.625-154.872 91.542 91.357 157.009 -84.583 128.009-125.824 136.738 -64.530 119.815 -45.957 167.003 -58.660 129.659 -94.226 125.447-109.595 137.267-169.228 149.227 125.168 92.191 84.159 139.807 -63.810 119.599 162.361 127.473-104.513 92.880 -32.401 121.245 -79.733 114.083 169.656 128.595 -82.826 127.997 -72.435 156.507 30.855 122.988 -7.134 0.000 0.000 130.590 -96.906 142.100 -82.383 134.562-157.414 133.131 -91.647 111.687 -52.269 147.629-106.725 93.186 -29.030 104.407-115.287 95.071 89.168 0.000 0.000 124.725-124.333 133.259 -16.959 122.086 -90.869 113.440 -50.756 93.402 76.548 104.557 -56.957 130.076 -65.764 166.864 -47.100 116.905-171.911 117.736 60.215 91.624 65.592 127.756 -75.326 123.906 144.754 140.590 -77.799 125.909 -82.370 176.314-166.363 130.454 -75.896 149.372 -80.080 125.138-147.553 128.909 71.342 126.748 -87.760 124.828-116.301 128.070-151.967 149.689 -81.913 125.778 -98.740 154.329 -68.737 122.645-172.932 148.389 113.137 91.628 94.426 129.873 -75.941 93.642 64.787 130.869-114.906 110.973-173.796 129.746-118.979 124.095-163.741 133.789 145.809 130.460 -90.208 106.068 -87.147 128.318-154.696 146.910 -77.370 120.219 -69.965 158.564 -30.977 120.676-163.229 161.789 -10.885 117.187 174.082 171.176 -19.479 94.992 83.178 0.000 0.000 120.897-166.901 137.307 -97.785 120.761-176.490 104.454 -80.489 123.531 168.639 0.000 0.000 118.005 110.384 148.119-104.077 127.208-102.000 98.110 -52.900 124.560-156.062 140.434-108.765 130.139-103.744 155.537 6.226 120.988 -84.271 167.762 -13.351 120.859-177.324 114.697 -66.488 115.568 102.437 147.082 -82.472 126.850-100.214 135.312 -85.035 125.760-150.677 153.327 -86.589 126.813-141.845 144.703-101.500 129.545 -93.315 160.678 6.170 126.641-148.412 131.890 -81.637 124.876-106.358 143.330 -91.378 127.010-118.991 139.936 -92.044 118.454 0.000 142.521-170.309 # 188 total E -2.90270E+02 rmsd from N 0.000 %NC 0.00 91.608 -7.681 117.353-105.750 120.679-103.208 115.173 -92.147 118.767 104.159 110.762-106.673 119.798 -92.279 138.218 -98.251 116.795-175.885 169.227 -90.756 135.520 169.620 150.953 -59.311 94.121 63.801 133.211 -90.664 129.676 -76.637 137.229 138.524 121.803-155.222 117.298 55.317 119.563-175.983 158.208 -29.710 115.971 171.598 129.287 -87.776 93.491 54.585 130.315-106.272 93.452 43.953 166.544 -2.999 93.737 59.543 0.000 0.000 93.362 -80.311 139.846-110.056 119.557-174.050 165.967 -59.335 123.983-169.900 174.195 -8.213 122.694 172.089 96.624-106.300 94.714 88.708 0.000 0.000 125.133-105.041 138.791 -9.622 125.297-149.588 116.997 -63.343 118.365-167.177 138.703-103.238 128.164 -67.919 145.640-119.997 126.002-154.814 155.594 -60.910 118.345 -55.931 150.018 -84.240 93.888 7.741 148.713-103.705 116.622-112.624 153.476 -15.539 91.845 44.992 129.037 -75.401 93.618 85.068 133.135 -15.547 94.709 -2.960 142.351 -73.530 101.642 -89.529 130.921 -76.292 121.544-139.103 153.300 -23.718 126.104 -89.439 109.344 -73.581 123.890-169.229 128.403 -77.990 122.744-162.802 130.188-149.864 93.411 74.741 138.834-107.824 106.511 -81.873 109.103 -73.300 93.228 110.120 120.603 -28.518 91.824 70.639 133.605 -80.808 112.079 165.357 175.756 -8.985 123.090-159.462 157.077-107.462 109.173-179.429 137.952-105.519 129.175 -34.379 0.000 0.000 96.428 -59.741 89.191 -78.294 92.375 39.041 135.182-116.821 124.279-168.832 0.000 0.000 93.656 82.044 137.064 -98.633 110.549 138.153 137.075 144.408 123.499 -85.386 147.012 -94.209 93.902 63.317 170.733 14.085 116.171-148.798 120.789 -89.482 125.636 172.327 108.879 -79.346 91.561 -30.134 129.388 -76.135 116.964-157.496 123.946 -51.443 124.798-156.281 129.591 122.008 123.661 -78.262 162.070 -61.989 108.280 -22.030 115.297 -85.894 122.400 -92.645 115.548 -92.814 123.770-161.212 173.135-109.452 95.575 61.903 129.329-106.548 117.420 0.000 139.744-171.830 # 189 total E -2.84286E+02 rmsd from N 0.000 %NC 0.00 91.581 52.855 157.085 -35.940 95.063 81.717 123.635 -89.510 122.033 160.655 110.203-104.622 93.154 174.857 131.510 -77.329 123.707 -86.432 167.239 -92.015 126.394-153.376 135.219 -96.065 127.672 -79.266 131.579 -58.715 124.064-174.687 76.770 -69.294 126.154 173.818 176.438 -73.370 111.493 166.652 172.414-143.108 94.809 15.072 140.405 -73.495 102.996 -86.478 121.839 -91.755 91.344 34.502 111.159 -91.754 118.101 3.247 0.000 0.000 140.108 -93.140 119.043 -88.719 122.478-152.803 133.251 -92.889 123.258-162.396 135.763 120.775 123.949 -50.176 117.757-116.196 116.269 -4.928 0.000 0.000 110.583 173.045 143.946 -19.878 130.263-159.295 169.940 -36.510 94.047 71.250 143.846 -75.777 119.372 176.342 105.659 -66.904 125.058-170.751 164.096 105.650 123.022-173.251 146.287 -97.982 128.528-171.646 94.528 -49.952 113.682 -72.757 151.324-126.112 109.808 77.093 144.162 -84.463 128.010 -33.686 141.633 -73.264 126.907-143.550 164.606 -27.647 92.629 60.921 127.494 -76.519 115.392 -35.655 158.930 12.020 110.042-168.829 144.985 143.711 116.491 33.341 130.878-132.213 94.131 92.624 157.573 -94.050 90.671 -60.463 116.351-158.629 91.684 -67.011 126.574 -56.567 115.798-150.322 152.944 5.428 132.623 -77.234 151.650 -94.017 132.467 64.035 106.999-103.507 120.537-139.676 155.577 -23.323 115.950 163.622 144.030 135.953 120.858-178.215 0.000 0.000 121.667-175.705 168.642-110.911 121.110-175.672 146.120 -6.867 121.043 171.492 0.000 0.000 123.187-173.494 166.721-130.875 124.710-172.567 166.369 6.739 125.768-159.502 147.029-107.192 130.319 -87.477 155.621 0.222 122.384-163.345 160.324-156.582 121.800-161.630 164.912-150.318 127.114 -84.210 148.192 -84.823 126.572-163.375 129.124 -48.414 92.482 66.261 125.084 -89.698 118.071 161.162 145.301 -98.022 93.588 92.343 127.399 -52.768 122.308 -97.167 84.004 -84.448 120.249-173.460 137.946 -88.706 127.145-114.981 142.304-131.202 117.840 0.000 148.820-147.333 # 190 total E -2.83809E+02 rmsd from N 0.000 %NC 0.00 124.928-142.930 164.875 61.293 126.336 -80.679 136.976 -93.337 116.874-137.421 101.787 -79.752 128.090-160.173 146.490 -98.678 124.515 179.610 149.754 -68.719 94.358 58.080 141.236 -75.572 116.269-154.820 132.302-122.121 129.465 -96.552 95.324 -82.948 92.898 61.041 113.986 -61.888 119.397-164.392 172.871-165.506 121.780-170.854 167.696 -51.134 122.423-168.263 161.279-134.050 121.815-167.939 161.173-154.088 134.597-105.724 0.000 0.000 126.328 -94.053 138.214 -84.533 126.131-154.051 143.798-104.841 121.729-165.826 163.178 -32.874 127.531-151.580 179.982 31.612 126.866 -11.602 0.000 0.000 124.842-115.054 171.416-112.701 127.059 -95.169 133.361 -87.542 125.624-159.189 144.549 -94.315 125.192 166.535 162.057 -51.089 92.969 44.814 123.639 -83.644 130.128-175.090 146.437 -89.954 100.549 -45.000 133.487-102.306 94.037 -36.974 147.861 -24.841 92.008 87.221 129.309 -76.312 129.519 -98.966 150.595 106.360 126.838 -98.503 108.212 -80.783 91.149 56.272 148.970 -96.328 91.443 68.535 147.028-114.868 91.518 56.539 122.297 -29.994 91.242 72.057 129.662 -76.077 107.217 -33.833 157.957 -21.573 120.016-140.566 163.158-120.856 120.245 24.927 146.264 -20.303 112.237 74.967 155.907-161.962 109.729 -84.559 127.240 -54.625 93.035 158.979 110.276-102.370 92.832 61.396 108.989 -96.971 93.237 33.346 149.805-103.567 94.988 62.402 0.000 0.000 93.346 59.976 124.133-100.330 93.170 -89.930 87.453 -77.241 113.261 -15.479 0.000 0.000 124.016 -96.248 169.071 -89.019 92.961 94.497 95.144 -97.887 94.249 112.257 144.417 -76.650 97.952 -35.273 114.492 -45.844 93.737 -51.536 147.472-143.586 121.453-145.315 173.320-153.610 133.903 -77.631 131.289 -67.179 126.392-153.622 124.768 -52.571 113.845 179.132 130.637-102.135 124.730 124.748 165.881 -96.194 124.944 -95.648 138.155-107.510 127.003-159.090 127.155 -61.153 120.499-175.519 168.664 -90.090 126.885-111.208 140.589-131.359 118.613 0.000 141.564-130.458 # 191 total E -2.79196E+02 rmsd from N 0.000 %NC 0.00 125.290-123.483 162.035 83.272 127.815 -76.995 137.143 -93.807 118.185-138.224 114.721-112.955 132.138-159.376 122.998-111.658 116.931 87.386 168.906 -87.256 121.665-103.003 128.374-108.125 94.844 66.889 143.483 -75.252 128.578 -60.869 93.984 -71.558 111.061 173.874 111.726 -53.174 92.643 79.497 152.376 93.293 133.353-108.715 110.118-100.332 120.216-151.883 165.397-179.264 121.163-177.971 120.030 -97.422 122.866-178.186 0.000 0.000 126.464-163.926 122.417 -69.595 122.893-114.463 122.534 -89.499 113.613 82.243 149.509 151.483 113.077 -79.525 110.318 115.765 117.358 -27.859 0.000 0.000 109.845 136.449 130.084 27.972 94.746 60.937 119.588 -94.151 123.555 164.764 133.573-111.189 120.446 112.516 134.292 -96.588 127.479-117.965 109.764 -62.855 127.289-157.503 149.533 -91.472 124.835 -93.612 168.706-102.704 119.807-176.029 131.296 -93.936 91.994 -25.662 128.943 -76.030 129.296-130.167 147.448 -15.570 129.854-109.593 117.701 -69.918 123.240-101.138 143.908 -83.733 92.673 40.273 156.377 12.405 92.661 72.924 139.569 -50.635 91.657 66.379 128.357 -75.831 120.104 -76.669 107.400 -72.797 123.996-153.851 130.180 149.450 126.847 -81.601 141.200 -27.521 126.448-168.593 153.067 171.229 126.984-174.407 150.224 -79.314 122.013 176.906 138.278-154.684 119.900-178.831 156.649 -14.613 110.429 -37.466 124.786 -93.403 120.409-139.255 0.000 0.000 124.748 -96.206 152.309-115.418 122.098-164.459 103.407 -80.353 134.785 -99.419 0.000 0.000 124.834 -98.937 121.048 -85.901 128.354 -80.944 163.340 82.001 124.365-105.809 141.681-117.210 140.450 134.505 176.455 158.256 92.491 68.591 155.406 -20.854 127.474 -53.477 117.712 -70.690 128.046 -57.513 148.112 -83.240 135.574 -1.794 143.972 -84.762 93.203 90.852 127.497 74.172 93.790 14.768 141.279 -76.177 127.812 -86.971 176.461 147.162 121.587-141.049 128.354 -76.809 126.251 -92.031 119.709-117.718 126.252-117.621 169.329 -75.163 118.735 0.000 138.892-170.246 # 192 total E -2.74236E+02 rmsd from N 0.000 %NC 0.00 126.131-133.004 144.049 -78.791 124.583-109.880 126.108 -95.816 93.338 49.969 102.794 -86.675 119.408 -68.475 143.752 -92.815 113.687 -61.302 147.128 -92.196 118.018-178.569 162.661 -65.299 94.523 90.162 140.987 -76.469 114.033 130.229 116.404-134.395 123.390 -96.398 116.328 -53.677 119.762-175.357 148.271 -84.979 110.911 109.428 132.809 -87.221 112.433 109.890 162.245-154.844 94.169 36.516 158.462 -45.427 125.338-135.760 0.000 0.000 126.539 -88.114 129.528 77.290 124.346-167.779 169.437-106.485 121.040 84.239 166.956 -15.311 121.346 126.475 122.069 110.134 138.633-108.573 0.000 0.000 126.156 -95.613 143.593 -16.854 125.909-146.405 164.299 -12.097 128.881-132.830 76.201 -84.601 127.397 -78.971 138.471-107.668 122.447 173.248 172.928-136.856 91.907 91.141 131.481 -76.982 123.264-177.612 114.766 -79.707 119.205 178.079 149.175-148.552 121.564 -68.753 135.774 -85.395 96.798 -38.468 114.850-102.381 106.444-167.362 123.526-131.594 126.277-163.304 162.241 -85.245 94.348 25.559 127.218-137.398 95.524 168.728 110.121 156.905 91.262 2.131 134.423 -79.402 120.106-173.434 124.446 21.292 92.567 25.443 93.334 -36.422 116.848 158.197 141.521 42.444 132.071 -38.266 164.283 29.170 92.537 144.717 167.837 -89.542 114.222-101.730 156.002-171.063 130.160 104.886 116.577 -90.167 108.670-138.409 160.560-114.753 120.884 175.290 0.000 0.000 119.828 -82.362 99.129 -82.502 92.522 38.971 97.540 -78.193 119.466-172.055 0.000 0.000 121.862 118.907 167.600-143.309 121.626 -78.371 122.252 -57.820 125.853 -92.537 130.495 -58.093 117.264-171.736 118.741 131.655 93.389 75.324 146.600 -40.462 94.853 22.259 113.621 -76.712 92.518 122.147 129.822 -75.958 94.610 18.696 168.251-124.663 109.049 177.740 125.186 97.938 115.361 -6.405 163.090-134.826 108.648-156.727 138.338-125.419 133.264-154.030 129.048 -55.201 121.035-176.095 167.936-121.341 126.449-122.536 141.931-124.416 117.665 0.000 153.706-166.795 # 193 total E -2.73184E+02 rmsd from N 0.000 %NC 0.00 91.563 57.593 158.221 -23.538 124.641 -79.048 134.870 -90.918 118.011-141.683 120.055-118.886 123.625 176.536 148.134-104.176 93.612 71.360 142.109 -78.447 114.023 148.608 140.451 -89.080 122.955 -98.098 132.824-113.350 93.964 36.261 170.725 11.662 92.333 59.585 162.232 -68.871 91.542 74.893 153.318 -29.547 91.493 60.255 119.897 -86.025 98.156 167.285 113.989 -93.493 120.264 172.556 176.448 -10.466 124.601 169.173 0.000 0.000 122.845 167.543 172.919 -58.444 94.953 99.557 135.193 -95.267 119.587-102.761 129.568 -88.939 117.339 -65.817 107.501-115.597 94.757 77.087 0.000 0.000 125.464-108.023 138.180 -15.093 126.113-150.855 127.062 -80.003 126.779 -85.446 148.865 -98.414 124.329-174.092 136.018 -81.229 93.155 68.941 138.709-102.909 118.203 167.377 154.634 -89.626 122.369-176.387 167.437 -90.389 119.958 173.003 107.704 -86.134 115.485 102.726 145.634 -83.958 125.348-116.847 140.725 9.801 126.804 -91.375 134.862 -87.821 128.281-156.184 149.167 -82.678 125.426-134.571 158.800 -25.271 125.693 -83.417 104.410 -38.026 123.288-165.233 145.469 -79.652 125.497-178.347 135.393-141.598 121.475 175.458 146.858 133.220 91.767 82.916 135.043-105.732 93.341 111.417 167.789-165.469 91.423 -27.284 129.878 -75.598 94.780 -65.465 123.939-137.016 120.050-158.517 170.021-137.158 93.819 13.784 159.617 -48.034 130.199-128.330 0.000 0.000 123.054 -95.610 105.079 -75.349 93.957 16.990 98.514 -78.462 135.697 -30.232 0.000 0.000 124.030-164.929 135.331 -75.460 93.319 74.401 154.511-127.891 94.549 110.502 141.508 -73.440 128.649 -98.755 102.444-105.582 118.668 -75.763 117.006 -89.119 117.310-172.111 159.118 -12.083 91.626 76.915 129.720 -76.074 94.213 85.931 136.864 -93.987 92.483 96.238 132.678 -70.187 121.057-115.553 127.368-113.586 124.342 -71.684 162.187 18.385 114.916 -11.036 165.124 -91.368 93.720 92.919 142.072 -73.275 95.301 94.167 105.130-128.596 118.267 0.000 126.689-139.667 # 194 total E -2.61636E+02 rmsd from N 0.000 %NC 0.00 91.607 110.039 133.705 -79.140 126.775 -94.223 136.984 -88.603 117.285 28.780 117.700-116.334 106.606 152.585 149.199 -87.160 93.771 62.277 128.165 -84.089 124.057-139.567 132.446 -98.690 126.525 -92.524 140.664-115.405 134.912-161.437 146.485 19.459 117.576 -65.113 112.660 -57.067 92.805 -14.810 144.785 -95.023 124.177-163.330 166.708 -46.961 119.411-175.320 164.352-166.847 122.853 170.356 150.000 -31.825 93.938 69.309 0.000 0.000 117.285-102.493 138.242 -90.672 94.331 97.838 138.066-100.670 92.397 77.399 136.341 -89.652 115.025 152.049 118.601 114.611 135.628 -93.370 0.000 0.000 125.868-120.152 132.400 -27.768 125.960-100.303 129.721 -74.416 94.704 76.093 140.723 -75.275 126.549 167.250 131.733 -85.821 116.254 162.147 149.622 91.286 92.037 98.143 154.526 -86.495 123.572-106.746 126.197 -71.307 92.789 68.349 101.042 -84.800 91.387 74.871 129.739 -76.281 92.359 52.984 115.567 -38.352 116.034 -83.748 171.902 -88.541 123.391-171.757 148.636 -79.939 123.232 -80.256 154.360 -91.026 93.437 -4.446 134.681-103.860 116.046 157.618 157.592 -87.489 93.841 78.717 138.845-100.571 94.087 -45.914 131.785 144.458 121.223-168.513 157.263 159.133 116.444 112.235 131.684-134.829 125.260-101.819 139.648 -88.982 94.484 116.413 123.375-146.521 120.416-104.771 115.043 -80.080 93.888 52.963 142.409-107.316 94.884 94.794 0.000 0.000 126.422-101.560 114.740 -70.106 94.485 159.458 143.205-117.992 94.643 78.054 0.000 0.000 118.341-177.868 128.574 -81.944 93.265 62.498 142.366 -95.067 115.769 166.270 169.149 -93.669 130.527 -91.905 156.747 6.404 121.825-175.819 122.580 -88.699 117.149 111.712 160.855-132.796 125.607-101.642 147.006 -84.960 125.923-163.040 132.846 -53.789 92.477 78.147 130.045 -91.233 94.752 97.803 137.082 -73.658 123.547 -89.555 161.472 7.201 126.090-151.165 133.208 -83.921 125.003-106.194 143.866 -92.068 127.134-119.348 139.872 -91.936 118.447 0.000 142.607-170.473 # 195 total E -2.48685E+02 rmsd from N 0.000 %NC 0.00 91.563 53.755 132.397 -75.420 95.193 81.612 123.027 -89.213 122.820 170.354 111.501-105.334 126.818-157.776 148.157 -92.682 124.269 -88.845 168.565 -89.382 127.146-156.627 121.977 -67.261 123.624-159.873 138.947-101.964 134.493 -92.144 151.129-142.858 118.873 -19.241 114.798 -67.960 92.259 144.038 145.024 -46.823 92.158 -59.622 103.843 -94.492 93.492 -12.258 122.732 -90.617 120.121 105.430 139.118 117.095 122.231 3.095 0.000 0.000 93.331 79.084 152.576 -99.722 123.898 -95.450 118.610 -65.767 122.961-166.870 164.423-175.824 124.744-169.463 112.045-115.904 125.420 172.953 0.000 0.000 124.780-170.470 145.537 -18.876 123.624-179.807 136.925 -63.748 94.738 84.283 133.694-104.825 120.661 158.771 110.798 -96.203 115.630 128.336 142.105 -78.402 123.830-100.732 141.158 -98.080 124.707-154.356 170.190 -81.168 121.874 -79.042 106.603 -86.007 125.100-171.844 145.956 -77.759 92.829 69.153 123.855 -29.878 120.940 150.393 152.196 -27.339 91.647 95.236 129.816 -76.519 123.224 -85.144 132.710-105.721 94.085 -27.535 138.083 -89.924 124.975-159.453 148.148 -98.158 127.294-171.488 153.297 -18.546 126.318-167.071 161.503 168.418 122.414-172.244 143.483 -63.090 121.525 164.050 156.267 5.988 121.557 66.281 147.823 -96.044 123.441 175.096 97.642-100.710 122.206-149.311 123.124 -83.704 117.158 -64.623 146.582-145.901 94.869 62.786 0.000 0.000 124.329-112.660 121.951 -64.600 108.834 -60.903 138.644 -31.706 94.078 20.640 0.000 0.000 128.862-171.908 168.000 31.211 113.346 -56.459 156.194 87.227 92.983 -26.855 113.564 -65.444 93.477 105.164 103.430 -92.295 116.563-167.437 147.646 -30.129 123.338 177.494 142.990 12.139 126.330 130.867 163.290 -90.529 125.908-121.265 123.423 -49.219 115.964 -53.038 154.905 -95.601 95.943 88.606 147.120 -80.784 119.537 174.246 176.439 162.198 124.568-172.827 128.078 -48.340 119.242-179.326 162.004-138.552 95.316 60.451 129.494-128.304 117.283 0.000 139.295-176.987 # 196 total E -2.48172E+02 rmsd from N 0.000 %NC 0.00 126.175-132.418 140.095 -93.871 94.970 77.646 137.226 -73.040 121.863 158.409 119.390-116.477 122.657 174.167 154.855-106.082 124.172-173.908 169.266 -67.652 132.342-159.733 139.163 -64.516 95.888 -33.669 142.231-111.696 110.276 73.893 134.754-129.243 121.238-103.809 105.955 79.428 122.805-170.009 151.196 -96.945 122.413-173.863 147.559 -87.099 125.160-162.306 139.933 -93.984 117.710-176.590 143.808-110.657 136.251-103.617 0.000 0.000 126.253-106.563 136.284 -84.276 114.520 140.448 138.858 -88.088 92.530 98.553 140.492-157.691 92.738 5.185 116.331-112.995 108.113 -88.909 0.000 0.000 122.959-155.608 129.351 62.472 125.234-156.345 114.314-110.353 128.122-101.749 136.677 -93.003 127.079-148.619 137.410 -69.917 125.254 -91.931 107.173 -66.077 122.506-175.929 152.742 -89.241 125.809-177.808 168.944 -95.369 114.791 178.047 152.124-143.629 133.351-158.925 164.380 -79.630 121.620 -98.371 144.722 0.497 129.457 179.444 136.808-109.575 119.114 173.972 143.085 -75.727 93.094 64.072 138.868 -86.856 93.609 85.078 138.286 -84.677 130.672-142.725 142.767 -87.944 124.988 -96.886 136.960-134.802 123.574-159.150 162.804 9.334 126.235 -85.162 139.493 -35.433 123.579-166.406 176.450 157.940 116.270 -56.152 141.337 -82.146 93.906-174.778 146.754 -38.902 122.305-115.560 117.999 -80.338 94.252 -25.626 155.641-109.176 126.872 -16.945 0.000 0.000 124.194 -89.373 168.602-100.873 124.299-175.316 96.193 -78.740 132.402 -37.998 0.000 0.000 122.372 -87.687 107.043 -78.337 120.860-152.790 158.677 170.434 127.939 -89.107 130.949 -83.929 127.548-157.204 140.547 150.852 122.410 -81.412 114.683 -91.975 122.647-171.083 155.554 13.212 111.453 115.173 148.229 -86.131 95.508 -6.813 145.406 -73.733 95.322 -74.911 124.807-124.647 96.232 -32.547 117.776-105.385 92.790 106.062 163.823 -9.856 93.410 90.748 121.683-133.924 93.504 98.307 100.398-116.044 121.410-107.749 117.922-111.860 118.274 0.000 139.185-136.744 # 197 total E -2.43663E+02 rmsd from N 0.000 %NC 0.00 91.569 55.339 133.757 -71.190 95.089 81.254 137.527 -75.558 122.558 173.371 113.995-108.654 126.429-168.218 149.574 -93.546 123.346-179.512 166.727 -83.336 118.568 107.767 170.284 -85.355 127.219-109.468 166.843 -37.241 93.128 73.324 127.291 -71.359 91.160 73.348 163.272 -68.578 91.726 60.301 121.745 -89.853 103.860 -88.156 106.901 -98.310 121.604-164.647 165.536-153.524 120.457-168.022 119.103 -97.840 135.410-100.658 0.000 0.000 126.799-102.011 117.898 -82.173 121.808-175.898 137.960 -80.572 113.849 98.333 150.846-165.161 121.341 -88.785 120.314-114.905 122.036 -16.814 0.000 0.000 125.981-156.948 137.092 -4.469 125.657-148.383 138.881-110.317 127.594 -94.871 127.572 -58.634 130.266-123.152 149.107-107.184 116.258 22.217 150.556-102.064 115.263-103.334 144.543 -99.161 122.308 115.224 170.488 -51.139 92.560 54.344 146.650 -25.292 116.381-116.633 134.458 -83.676 93.435 63.866 121.143 -50.677 95.365 118.646 117.533 -52.944 138.530-129.010 176.454 -89.488 112.698 20.711 129.569 77.058 127.714-132.791 151.425 -62.743 124.689 -74.091 137.439 -77.940 116.968 -52.862 160.656 4.267 92.118 69.054 122.605-111.041 91.799 26.769 92.624 -67.581 109.158 78.928 130.620 -28.249 116.594 -83.384 136.904 -99.642 117.989-156.640 139.915-167.986 123.285-101.762 122.157 -82.729 115.706-174.940 160.596-138.948 121.285 35.174 0.000 0.000 120.653 178.834 137.351 -98.004 93.557 -0.394 135.914-126.799 127.280-145.102 0.000 0.000 123.195-171.361 168.053-105.834 123.232-176.813 176.460 140.206 122.559 174.492 134.144-106.251 117.620 47.722 104.443 -95.515 93.688 116.428 145.804-125.729 118.319 -94.185 107.724 -71.139 128.193-156.460 149.381 -85.700 127.318-105.683 113.730 -49.266 112.407 -60.547 132.841 -97.551 120.671-166.482 161.451 -51.598 93.645 82.731 172.596-172.927 94.524 103.442 116.517 -73.713 119.971-107.085 167.920 -87.190 126.756-121.604 138.375 -89.350 118.538 0.000 142.491-176.357 # 198 total E -2.41144E+02 rmsd from N 0.000 %NC 0.00 91.565 57.742 158.139 -23.216 124.766 -80.352 134.951 -90.848 118.042-138.217 119.749-118.500 128.105-162.896 145.740 -90.938 124.746-168.986 146.795 -94.520 127.080-168.301 138.087 -75.117 122.595-177.817 162.888 -71.253 121.217 162.163 137.537-142.234 92.640 71.519 102.753 -69.786 92.498 91.684 157.121-128.927 119.484-127.335 135.228 -91.734 119.483 -78.438 167.103-169.023 93.685 -51.750 139.009-107.745 126.822 -17.056 0.000 0.000 126.829 -99.244 114.093 -80.699 123.179-156.415 136.733 -86.062 124.794-106.521 155.623 155.759 125.958 -87.146 112.658-113.701 124.264-169.585 0.000 0.000 125.055-149.791 135.809 -6.836 124.599 -82.169 136.341 -90.260 125.580-149.962 134.167 -77.948 126.828 -92.693 165.656 -75.906 126.506-147.274 158.358 -58.735 126.501 -83.553 146.923 -95.093 124.187-170.345 125.624 -58.340 93.019 79.041 136.466-140.610 110.049 134.120 137.740 -89.349 124.354-100.852 141.696 20.589 126.777-148.182 134.665 -90.433 127.890 -88.179 148.630 -83.570 125.508-148.088 154.987 -67.423 126.689 -88.137 146.993 -85.167 127.568-152.309 151.599 -93.038 130.308 -87.346 157.200 8.128 93.337 76.801 131.086-107.632 114.680 -52.037 149.921 -69.385 117.612 173.299 141.604-131.344 91.702 64.643 129.921 -76.569 109.613 154.937 161.033 -10.946 92.997 84.126 141.858-134.395 94.371 43.481 148.139-100.630 96.270 107.636 0.000 0.000 122.805-138.134 167.023-148.502 93.341 -44.389 95.670 -80.947 117.375-138.706 0.000 0.000 131.671 -77.810 148.705 -85.411 122.347 69.097 94.866 -97.867 111.295 148.608 137.667 -76.129 122.504 38.662 130.188-151.789 94.675 61.373 147.720-133.708 94.386 -88.088 146.650-105.585 119.720-164.468 145.480 -82.663 130.514-106.435 135.990 -87.356 118.573 -67.511 140.147 -95.749 122.784-160.560 160.660 -59.904 126.748-148.551 142.547-125.833 123.559-133.733 168.199 -61.573 129.459 -98.012 135.920-100.339 95.019 60.278 139.521 -72.742 117.164 0.000 140.637-176.779 # 199 total E -2.33951E+02 rmsd from N 0.000 %NC 0.00 126.119-131.252 147.516 -83.012 126.678 -94.103 133.956 -90.218 121.307 27.079 112.560-107.627 121.166-159.134 149.972 -91.458 124.174-166.908 168.616 -86.068 125.599-156.518 163.497 -72.194 125.886 -79.523 145.649 -80.927 126.950-156.861 101.421 -50.791 122.717 -91.037 110.547 73.388 123.644-165.138 174.941-160.674 123.515-172.427 144.098 -84.690 122.279-168.747 142.834-100.600 121.120-170.408 158.929-145.646 135.851 -81.312 0.000 0.000 122.891-177.328 176.410-137.417 94.121 86.614 143.642 -74.032 92.144 85.902 122.515 -97.415 92.827 14.203 132.197-101.019 118.834 -60.746 0.000 0.000 123.500-174.680 132.300 -27.144 124.321-171.433 128.598-106.519 125.865-169.129 141.757-112.266 126.651-166.614 143.238 -94.885 125.713-164.005 120.020 -61.506 125.334-165.379 145.290 -87.045 125.284-104.283 144.198-113.437 92.918 75.093 100.514 -84.598 91.712 80.286 128.615 -76.200 121.577 -95.206 143.438 -2.031 125.934-163.923 153.601 -26.863 123.141-172.345 146.608 -80.870 125.542-163.609 152.178 163.221 126.000-161.355 147.052 -20.723 123.570-174.268 147.161 -75.350 93.347 63.283 122.259-137.956 92.299 76.818 129.850-145.777 91.757 64.638 123.158 -77.073 119.812 -82.043 122.923-131.775 125.468-167.749 146.821 -84.206 116.020 162.944 105.791-103.272 93.061 67.347 151.212-123.614 93.786 43.619 155.531 -54.145 94.342 66.651 0.000 0.000 95.009 -78.523 128.789-105.467 119.738-164.574 103.419 -80.393 135.793-100.482 0.000 0.000 124.647 -91.171 146.622 -96.572 124.017-152.121 101.325 -66.576 126.476 -87.062 129.664 -99.127 126.224-170.788 142.322 140.581 121.988-174.866 118.796 -87.271 121.879-165.386 147.797 -20.936 127.003 -84.266 148.514 -82.683 126.876-156.590 139.405 -89.014 124.921-164.873 137.280 -74.952 124.899-172.613 137.247 -81.900 124.357-179.364 146.471-132.775 127.403-169.297 130.319 -58.072 119.686-177.078 138.699 -91.033 127.003-115.708 138.357-127.978 117.867 0.000 149.598-146.686 # 200 total E -2.23850E+02 rmsd from N 0.000 %NC 0.00 125.822-123.407 159.475 -84.931 126.865 -89.883 163.031 -66.929 116.578 -87.855 139.386-150.517 112.585 -28.676 148.398 -89.583 109.930 114.801 171.201-100.808 94.266 51.355 142.159 -75.237 111.487 -75.173 125.972-116.929 128.572-175.815 151.171 -0.974 112.132 177.765 73.424 -85.938 109.603 55.953 171.091 -14.910 110.771 175.325 143.396 -73.444 121.027-174.305 163.002 169.224 119.988 169.894 164.655-132.619 94.550 90.434 0.000 0.000 120.589-102.324 110.958 -83.350 121.610-154.624 136.615 -83.668 124.268 -93.368 156.366 170.655 125.630-156.928 112.806-113.800 134.920-102.795 0.000 0.000 125.741-118.129 137.525 -11.951 126.100 -90.535 131.343 -88.696 125.070-157.336 165.828 -59.483 126.296-154.857 168.481 -59.809 127.325-134.764 126.649 -55.472 125.104 -82.465 146.826 -94.244 123.728-173.997 123.256 -59.509 93.475 87.588 147.071 -23.534 127.497-107.667 137.492 -91.802 120.741 117.873 140.731 -20.564 126.050 -98.152 167.117 -65.040 125.594-178.260 147.739 -81.100 115.413 96.604 155.283 -80.372 121.680 177.092 150.334 -82.451 120.965 170.878 157.339 -82.458 93.659 87.504 167.819 17.855 93.775 8.066 132.104-135.375 92.591 -93.393 80.625 -76.705 109.486 152.548 117.768 -74.683 91.738 76.724 131.692 -76.721 125.530 -97.550 141.624-144.846 116.551-171.851 160.247 -17.217 120.812-172.803 176.423 -8.186 136.038 -79.930 0.000 0.000 124.555-169.916 143.055 -98.478 120.874-176.475 104.615 -80.363 124.511 172.927 0.000 0.000 121.493 176.106 144.398-100.218 93.724 75.686 146.716 -83.276 125.473-141.423 143.590-106.382 130.326 -93.953 156.138 3.843 119.977-177.997 121.334 -87.490 93.382 79.412 144.483-103.552 110.919 138.084 146.063 -82.665 125.249 -94.573 133.566 -85.416 125.840-152.153 135.923 -73.603 125.599-145.537 141.469 -87.025 130.587 -93.407 162.528 151.234 126.202-167.429 125.220 -59.879 93.246 64.215 140.324 -76.391 126.100-131.736 174.075 -52.389 118.548 0.000 137.095 142.556