jlee = 1 nbank = 100 nstep = 100 38672 0 1729.08154 # 1 total E -3.39977E+01 rmsd from N 0.000 %NC 0.00 109.970 15.270 143.789-122.788 94.752 55.556 0.000 0.000 93.674 81.175 94.849 -78.264 91.003 -96.769 116.228 -76.600 93.764 155.298 142.592 -73.462 94.330-175.371 136.910-109.067 112.269 -95.640 149.445-148.461 93.855 15.311 0.000 0.000 93.461 91.052 138.406 -93.520 123.846 167.399 151.741 178.585 93.624 116.154 141.976 -74.237 125.863 110.697 112.947 -84.635 130.434 176.551 112.706 -84.182 116.997 -7.418 0.000 0.000 94.700 178.704 139.076 -99.135 123.180 176.767 137.529 -89.994 94.693 1.567 130.846 -96.271 122.019 -97.585 153.969-105.320 95.327 125.243 0.000 0.000 113.132 0.000 143.030-129.252 # 2 total E -3.08790E+01 rmsd from N 0.000 %NC 0.00 117.478-102.102 143.046-106.399 94.725 50.815 0.000 0.000 94.196 107.539 94.214 -75.586 115.845 176.186 146.595 -83.129 117.062 115.826 168.486 -73.708 93.681 97.592 137.052-105.893 109.092 179.299 148.774-145.290 129.965 -10.078 0.000 0.000 115.662-163.550 148.876-102.744 124.012-124.875 143.262 -4.603 130.843-163.683 141.760 -89.007 92.977 -93.750 143.456-139.690 92.513 8.958 149.988 -32.365 93.913 70.410 0.000 0.000 124.998-141.450 153.053-124.192 118.487-162.424 137.613 -92.075 125.019-132.527 139.525 -92.558 98.136 -20.731 135.425 -90.240 96.654 56.955 0.000 0.000 111.272 0.000 142.642-123.878 # 3 total E -2.70817E+01 rmsd from N 0.000 %NC 0.00 93.361 54.385 140.806-117.836 121.691 -6.402 0.000 0.000 119.394-163.292 99.736 -72.475 103.991-175.944 118.359 -77.578 123.111-176.531 142.685 -90.895 94.239-101.741 138.712-108.799 93.198 13.272 143.954-135.019 108.423-173.032 0.000 0.000 116.947-176.464 145.834 -83.956 127.277-113.638 151.246 174.634 124.136-173.176 139.409 -92.144 126.851-169.756 113.255 -84.336 106.079 -62.864 149.005-152.752 95.150 -23.010 0.000 0.000 93.954 104.351 139.164 -97.873 93.933-178.380 142.411 -74.272 121.643-166.486 137.585 -91.646 122.264-175.318 155.690-126.292 135.323 -92.536 0.000 0.000 110.948 0.000 143.862-120.932 # 4 total E -2.52825E+01 rmsd from N 0.000 %NC 0.00 93.358 114.175 140.595-113.856 124.299 -8.178 0.000 0.000 111.834-100.843 151.756 175.110 90.626 84.636 116.219 -76.204 93.619 83.641 142.515 -73.489 93.925 142.319 136.696-106.049 110.924 14.187 152.337 -24.783 95.327 169.477 0.000 0.000 118.782 -4.458 139.776 -57.885 124.422-166.318 145.186 -1.303 122.389-162.088 138.510 -91.070 118.146-159.133 153.544 -19.819 113.615 -78.888 152.740 -22.731 93.473 -3.864 0.000 0.000 93.551 93.761 139.243 -97.506 119.290-178.396 166.210 -69.785 126.424-152.940 139.654 -89.316 96.466 177.204 133.565 -78.913 137.290 -84.545 0.000 0.000 111.416 0.000 143.075-124.546 # 5 total E -2.50654E+01 rmsd from N 0.000 %NC 0.00 93.348 53.516 140.705-115.164 115.799 -5.599 0.000 0.000 114.279 166.101 155.874-177.993 94.421 92.614 116.968 -76.451 94.374-103.987 142.346 -73.429 93.178 6.942 137.353-105.005 110.601-177.019 152.182 -24.214 135.446 -17.638 0.000 0.000 111.093 170.053 143.796 -96.830 127.273-176.353 150.106 172.448 121.766-177.412 137.163 -88.960 103.874 174.304 147.133-142.277 119.058 -81.220 153.449 -20.272 107.869 -4.132 0.000 0.000 94.472 162.051 139.091 -98.780 118.676-175.159 165.614 -67.672 93.596 107.145 141.957 -74.216 121.037 178.992 153.813-105.280 136.801 -66.070 0.000 0.000 109.846 0.000 141.980-111.688 # 6 total E -2.44947E+01 rmsd from N 0.000 %NC 0.00 93.360 52.574 140.704-115.932 116.773 -8.421 0.000 0.000 94.107 160.153 117.036 -43.781 92.984 166.277 117.491 -77.412 94.801 178.780 142.539 -74.117 94.317 -1.789 137.483-108.589 116.986 68.881 152.130-152.494 122.760 -10.862 0.000 0.000 110.710-170.908 146.093 -99.410 122.966-118.862 142.460 -5.482 93.466 77.711 130.089 -97.683 93.231 96.318 143.116-134.443 107.025 179.394 146.829-143.818 113.712 7.598 0.000 0.000 93.852 107.285 138.997 -94.254 93.396 76.035 142.037 -74.156 95.093 118.705 130.851 -96.438 120.399 10.518 153.943-117.210 120.534-156.123 0.000 0.000 112.664 0.000 143.514-124.940 # 7 total E -2.40539E+01 rmsd from N 0.000 %NC 0.00 110.223 10.927 143.398-116.839 95.137 21.624 0.000 0.000 93.802 100.324 145.153-134.166 93.135 74.957 117.101 -76.337 94.243 169.519 142.535 -73.496 126.574-174.286 150.162-126.170 122.364 177.736 112.781 -84.245 116.676 -3.677 0.000 0.000 94.407 168.097 138.159 -90.341 132.801-117.602 105.005 -84.758 118.081-174.363 136.892 -92.090 115.891 176.792 153.039 -22.165 106.161 178.696 147.886-143.869 118.374 -0.583 0.000 0.000 94.507 167.994 139.081 -98.805 121.283-174.865 137.594 -91.878 118.885 179.966 166.023 -69.588 121.838 179.917 154.293-109.892 136.964 -84.673 0.000 0.000 111.067 0.000 143.116-121.723 # 8 total E -2.23274E+01 rmsd from N 0.000 %NC 0.00 111.148 -0.790 144.241-127.961 94.894 12.120 0.000 0.000 127.424 164.841 154.896 7.170 91.806 61.059 116.153 -76.258 116.040-174.534 142.216 -88.022 125.182-159.103 151.151-141.117 93.680 24.435 143.104-134.198 109.451-175.797 0.000 0.000 122.783-118.170 147.938 -85.046 123.933 172.439 151.493 178.261 93.627 110.769 141.979 -74.229 108.772 175.468 148.547-146.577 111.170 12.277 112.196 -83.544 94.987 171.685 0.000 0.000 93.974 74.649 138.403 -93.665 93.468 97.183 141.946 -74.201 96.013 111.413 130.932 -96.785 123.553 -50.085 154.153-110.791 126.603 -19.975 0.000 0.000 110.206 0.000 142.949-120.901 # 9 total E -2.22939E+01 rmsd from N 0.000 %NC 0.00 117.594 -97.492 144.495-124.926 117.840 -7.385 0.000 0.000 115.716 171.617 154.390 172.568 92.912 -0.340 116.538 -76.262 118.275-174.803 168.567 -70.152 94.285 142.588 138.141-108.344 132.455 176.099 112.466 -85.030 124.366 -14.082 0.000 0.000 94.756 147.196 138.157 -92.070 128.459 55.186 105.206 -81.647 119.417-171.404 136.871 -92.285 108.004-103.007 151.979 -22.550 91.992 17.663 143.452-133.280 95.425 68.589 0.000 0.000 125.143-175.411 153.909 -88.046 122.152-159.100 137.513 -91.598 122.357 179.620 137.837 -91.578 96.566 176.161 134.509 -90.433 137.188 -84.278 0.000 0.000 111.086 0.000 143.129-122.145 # 10 total E -2.20993E+01 rmsd from N 0.000 %NC 0.00 115.981 -88.917 140.431-119.153 94.423 12.845 0.000 0.000 111.683 96.646 156.304 174.495 118.424 170.812 148.586 -77.923 93.774 65.550 142.465 -73.598 114.299 140.895 152.597-110.163 113.194-177.451 149.354-151.579 104.157 12.279 0.000 0.000 93.723 108.006 139.763 -99.884 92.704 92.137 129.380 -24.870 93.755 113.385 141.916 -74.290 115.510-168.765 153.227 -21.037 94.161 28.746 144.137-134.915 116.607-175.419 0.000 0.000 119.235-173.349 148.050 -92.655 123.477-176.513 138.197 -91.291 119.276-174.010 136.910 -91.976 117.553 10.887 154.298-109.768 95.416 105.662 0.000 0.000 112.405 0.000 143.244-125.939 # 11 total E -2.01009E+01 rmsd from N 0.000 %NC 0.00 93.351 50.863 140.235-111.502 114.595 -4.932 0.000 0.000 94.487 151.104 146.816-126.075 109.242 179.524 120.116 -77.561 117.501 179.775 168.437 -75.848 95.461-177.335 139.863-118.450 94.115 64.205 144.224-135.508 93.794 81.436 0.000 0.000 118.397 0.067 146.332 -56.255 94.303 16.631 125.950 -28.689 130.658-162.692 140.799 -89.731 103.017 -98.357 146.786-144.622 93.264 9.918 150.100 -31.957 94.589 72.603 0.000 0.000 125.635-171.419 153.311-123.714 125.130-123.907 138.516 -90.738 119.730-169.040 137.169 -91.960 94.429 35.652 133.516 -90.290 118.696-171.494 0.000 0.000 113.537 0.000 145.092-138.006 # 12 total E -2.00724E+01 rmsd from N 0.000 %NC 0.00 112.182 178.325 143.994-103.086 117.863 58.462 0.000 0.000 121.329 -0.072 101.030 -84.436 92.909 166.719 116.424 -76.453 118.317-177.990 168.480 -79.934 123.173-175.842 146.469-122.800 97.494 17.713 145.114-137.923 97.770 74.767 0.000 0.000 126.289-173.703 155.015-122.971 135.034 171.529 106.999 -86.225 95.371 63.559 141.789 -74.386 94.802 -84.563 143.832-139.413 89.459 -12.925 149.684 -33.034 94.281 92.642 0.000 0.000 128.885-116.073 153.074-125.461 127.658-105.530 139.606 -89.142 94.583 113.517 130.302 -95.857 125.663-179.273 152.094-104.412 111.017 169.684 0.000 0.000 116.089 0.000 140.378-145.955 # 13 total E -1.99662E+01 rmsd from N 0.000 %NC 0.00 109.868 157.473 143.265-122.742 122.921 -4.475 0.000 0.000 126.255 178.163 155.864 10.397 100.885-168.791 117.855 -77.250 131.098 175.810 145.471 -88.495 94.849 -12.541 137.678-108.139 99.630 -57.317 145.932-138.688 128.004-169.578 0.000 0.000 116.913 61.133 142.471-102.376 118.710-114.497 150.491-172.714 93.587 65.273 130.557 -97.348 95.907 95.156 150.462 -31.094 118.019 174.509 154.345 -21.316 136.416 -7.224 0.000 0.000 95.041 177.975 139.033 -99.610 118.191 178.401 135.893 -90.246 93.717 172.015 141.893 -74.180 115.582 12.853 154.895-117.649 114.458-165.380 0.000 0.000 113.233 0.000 144.889-133.880 # 14 total E -1.84784E+01 rmsd from N 0.000 %NC 0.00 117.472 -90.762 141.160 -85.054 109.712 -0.008 0.000 0.000 110.488-175.867 96.659 -69.212 93.067 102.687 116.386 -76.416 117.850-110.516 168.706 -70.652 95.362-124.284 138.230-107.197 92.255 77.798 145.329-138.500 91.368 57.796 0.000 0.000 93.137 32.820 137.763 -84.015 120.931 -0.522 154.131 174.368 116.679-113.163 165.553 -77.637 95.643 147.978 144.528-136.480 123.186 -67.913 112.926 -83.901 118.329 -65.023 0.000 0.000 111.273 148.717 147.175 -93.814 129.434-179.374 141.180 -90.898 121.467-124.121 136.771 -90.782 94.160 28.167 133.379 -84.601 122.929 -73.000 0.000 0.000 110.562 0.000 142.773-118.534 # 15 total E -1.81498E+01 rmsd from N 0.000 %NC 0.00 117.725 -89.848 143.954-112.952 94.454 65.301 0.000 0.000 123.950 -3.056 102.034 -91.158 93.584 136.159 116.429 -76.481 131.405-176.302 147.710 -91.182 94.606 144.097 137.706-108.228 132.590-119.682 113.649 -83.941 111.023 -1.435 0.000 0.000 114.366-178.747 148.578-103.794 118.107 170.338 143.189 -6.354 94.825 85.334 131.038 -96.777 94.023 104.934 143.620-133.750 94.854 62.669 144.288-137.288 95.048 70.662 0.000 0.000 119.308-103.719 148.992 -98.090 116.707-172.692 136.184 -92.659 121.516 177.861 137.131 -92.804 122.284 179.575 154.321-109.782 136.966 -84.168 0.000 0.000 111.146 0.000 143.108-122.117 # 16 total E -1.81200E+01 rmsd from N 0.000 %NC 0.00 109.785 17.841 143.879-124.414 118.612-172.858 0.000 0.000 119.639 -3.769 154.498 170.914 92.039 162.067 116.626 -76.213 117.865 -5.606 168.468 -78.069 122.773-175.506 151.354-115.547 118.794 -95.422 153.363 -22.197 93.343 9.327 0.000 0.000 93.180 104.933 136.389 -70.245 120.529 138.823 144.537 -8.377 118.488 177.739 166.148 -73.073 127.555 173.262 113.746 -84.597 117.315 8.862 112.592 -83.795 94.699 68.483 0.000 0.000 94.639-172.393 139.101 -98.809 121.910-175.812 137.484 -91.629 94.761 75.289 129.847 -95.946 125.851-172.546 154.841-114.672 110.828 177.651 0.000 0.000 116.847 0.000 138.893-148.319 # 17 total E -1.80405E+01 rmsd from N 0.000 %NC 0.00 109.824 15.605 141.993-100.106 95.143 57.168 0.000 0.000 93.675 73.165 117.085 -46.176 116.986 174.832 146.931 -77.840 127.548 -1.663 145.674 -90.276 94.973-178.964 137.868-107.376 113.836 -98.445 152.738 -24.702 94.182 0.742 0.000 0.000 93.364 102.674 139.796 -98.264 92.584 104.708 129.967 -24.651 93.489 72.042 141.945 -74.400 118.490 155.952 112.523 -84.026 110.564 173.876 149.220-149.097 120.449 -2.187 0.000 0.000 94.707 175.307 139.083 -99.352 118.623-175.095 165.962 -70.069 123.140-176.714 138.296 -91.449 121.674-179.502 154.115-101.909 136.886 -84.244 0.000 0.000 111.053 0.000 143.114-121.794 # 18 total E -1.75542E+01 rmsd from N 0.000 %NC 0.00 109.850 12.592 143.070-119.909 94.718 54.762 0.000 0.000 93.861 67.194 146.732-137.869 92.533 118.771 116.326 -76.234 131.376-163.631 145.988 -94.814 116.682 -95.795 151.848-159.540 92.808 6.701 143.742-133.979 95.760 72.116 0.000 0.000 129.304-173.878 154.578 -98.954 125.399-120.227 151.861 175.837 119.162-175.868 166.268 -69.526 104.255-174.472 147.399-144.965 94.911 30.143 144.269-136.763 95.831 167.418 0.000 0.000 118.710 0.103 145.896 -87.262 115.144-176.362 135.801 -93.007 124.779-176.891 138.702 -91.040 119.504 93.758 154.318-108.487 135.482 -83.738 0.000 0.000 111.027 0.000 143.120-121.630 # 19 total E -1.74462E+01 rmsd from N 0.000 %NC 0.00 93.356 111.555 140.687-116.815 126.575 -9.337 0.000 0.000 108.932-146.210 118.764 -45.641 113.168-177.539 121.095 -79.929 94.590 178.690 142.871 -74.268 118.830 -99.941 152.736-152.799 93.737 19.658 111.362 -82.961 95.712 60.965 0.000 0.000 124.307-178.258 153.328 -92.801 127.847 170.261 151.861 170.926 95.823 -6.809 130.251 -93.586 112.255-145.619 152.418 -24.206 94.738 9.668 144.486-136.387 115.650-172.696 0.000 0.000 115.180 169.107 143.974 -70.257 128.129 -8.338 139.845 -90.157 95.201 11.848 130.877 -96.367 123.387-173.878 154.258-107.399 125.885 13.020 0.000 0.000 110.902 0.000 142.914-125.852 # 20 total E -1.67373E+01 rmsd from N 0.000 %NC 0.00 113.874-145.716 138.417 -75.229 94.691 57.282 0.000 0.000 121.169-131.901 100.072 -79.384 94.118 97.921 116.571 -76.491 122.073-130.053 144.598 -88.427 93.640 21.187 136.543-105.189 116.036-159.812 153.347 -19.927 95.144 67.690 0.000 0.000 94.676 154.666 138.728 -97.353 121.348 4.551 151.869-177.091 118.976-176.186 136.462 -92.806 128.063-177.438 113.787 -85.505 96.097 55.551 111.460 -83.022 96.339 166.103 0.000 0.000 117.510-171.071 143.538 -81.150 119.611 178.801 166.185 -69.369 93.581 98.938 141.952 -74.214 123.378-176.440 154.117 -91.273 115.178 170.599 0.000 0.000 115.838 0.000 140.914-145.161 # 21 total E -1.66357E+01 rmsd from N 0.000 %NC 0.00 93.388 132.083 139.532 -92.235 122.771 46.677 0.000 0.000 125.087 -3.626 157.758 9.445 93.355 157.625 116.495 -76.414 128.335-176.815 146.382 -92.398 122.492 179.142 150.868-122.477 117.112 13.037 112.609 -83.836 118.106-173.179 0.000 0.000 121.030 175.254 149.730-105.652 118.336 59.276 143.914 -5.269 93.783-175.658 141.907 -74.226 111.625-108.592 152.414 -22.872 94.397 22.717 150.223 -31.523 95.372 60.387 0.000 0.000 125.006 169.388 151.850 -93.931 93.626 61.395 141.924 -74.205 126.039 171.360 139.667 -90.767 121.904 -66.113 153.407 -97.674 94.434 123.643 0.000 0.000 116.508 0.000 140.046-151.304 # 22 total E -1.59068E+01 rmsd from N 0.000 %NC 0.00 109.814 157.734 143.279-123.050 122.855 175.133 0.000 0.000 122.079 3.631 100.648 -80.127 91.649 174.852 116.292 -76.482 118.616 179.901 168.571 -78.871 95.121-176.889 138.587-113.145 94.050 30.658 144.188-135.339 113.890-175.615 0.000 0.000 123.097-118.033 148.897-105.016 121.389-159.375 142.608 -4.180 114.556 -98.786 135.669 -93.059 93.859 91.491 143.920-134.935 94.615 61.627 150.240 -31.648 95.599 62.282 0.000 0.000 119.265 177.224 148.995 -97.692 120.099-175.781 137.179 -92.268 121.911-115.013 137.180 -90.865 94.238 22.095 133.404 -89.972 114.282-170.853 0.000 0.000 114.754 0.000 144.631-149.554 # 23 total E -1.57456E+01 rmsd from N 0.000 %NC 0.00 115.794-128.258 142.371-100.246 112.370 177.368 0.000 0.000 119.925 1.595 153.461 172.509 92.310 173.087 116.315 -76.213 129.682-178.154 146.585 -92.569 93.745 108.249 136.412-100.568 114.402 134.860 152.551 -23.482 112.028 -10.505 0.000 0.000 109.610 168.053 145.774 -88.189 126.377 179.940 151.343 171.645 113.591 108.009 135.348 -92.140 94.541 85.878 144.111-135.345 107.843 178.848 148.320-145.010 119.887 -3.150 0.000 0.000 94.635 170.023 139.066 -98.857 118.855-176.901 166.017 -69.546 118.173-175.484 136.674 -92.258 117.462 10.890 154.329-109.925 95.410 106.269 0.000 0.000 112.417 0.000 143.227-125.737 # 24 total E -1.50206E+01 rmsd from N 0.000 %NC 0.00 109.868 15.060 143.751-126.253 115.451 -7.086 0.000 0.000 120.651 168.413 159.293 10.411 94.569 98.530 116.840 -76.748 94.647-167.458 142.519 -73.294 93.343 69.772 137.411-107.206 103.321-120.750 146.934-141.142 135.244-177.631 0.000 0.000 121.080-175.736 149.962-105.804 118.139 174.767 143.579 -5.596 121.349-175.222 137.967 -91.921 103.185-116.359 147.729-141.819 94.704 18.908 144.334-135.396 96.673 171.094 0.000 0.000 117.988 -0.849 144.975 -84.646 114.555-176.300 135.637 -93.118 123.502-173.740 138.283 -91.267 117.982 13.519 154.347-108.854 120.053 -15.674 0.000 0.000 110.307 0.000 143.109-122.025 # 25 total E -1.48624E+01 rmsd from N 0.000 %NC 0.00 116.104-122.265 141.109 -92.850 108.488 -4.632 0.000 0.000 120.922 114.370 157.985 15.904 92.234 69.393 116.236 -76.401 115.176-177.929 168.173 -71.078 124.219 178.525 153.271-139.767 117.594 -75.799 153.236 -21.656 94.353 51.931 0.000 0.000 93.895 84.451 138.558 -95.516 94.641 114.512 139.222-136.148 112.786 1.199 135.325 -92.317 108.738-161.322 152.309 -24.465 94.748 22.596 144.020-137.020 113.148-175.955 0.000 0.000 94.860 174.357 138.751 -96.932 122.813-176.734 138.052 -91.732 118.828-173.914 136.817 -92.169 118.014 13.666 154.331-109.368 119.723 -15.222 0.000 0.000 110.287 0.000 143.087-122.205 # 26 total E -1.46725E+01 rmsd from N 0.000 %NC 0.00 115.553-130.219 141.522 -92.282 116.777 177.353 0.000 0.000 116.514-110.001 150.508 174.350 93.840 108.789 116.587 -76.420 117.197 179.272 168.376 -73.319 94.855 175.411 138.412-110.108 118.034 23.810 112.843 -84.129 94.685 68.408 0.000 0.000 94.158 115.716 138.654 -96.299 125.554 178.399 151.882 177.441 116.227 102.992 136.014 -90.994 94.415 93.299 144.050-135.201 95.553 55.680 150.362 -31.056 95.049 76.481 0.000 0.000 116.307 -3.493 148.438 -95.827 118.667-178.298 166.015 -69.719 124.873-119.634 138.877 -91.064 117.951 8.004 154.352-107.974 95.732 76.011 0.000 0.000 111.329 0.000 143.292-121.002 # 27 total E -1.45190E+01 rmsd from N 0.000 %NC 0.00 117.428-105.049 144.139-119.745 118.727 -3.958 0.000 0.000 125.040 174.461 156.600 8.128 110.067 170.922 119.357 -78.257 123.348 -6.432 144.913 -90.355 95.313-123.958 140.659-113.361 96.052 20.549 150.484 -30.791 96.783 170.406 0.000 0.000 93.897 101.736 135.192 -73.891 125.864 176.636 152.001 173.724 121.289-173.052 137.572 -89.678 108.241 176.490 148.628-145.645 107.178 178.663 148.036-144.824 118.563 -0.644 0.000 0.000 94.508 167.706 139.095 -98.813 120.950-175.867 137.434 -92.018 121.128-179.328 137.514 -91.772 122.138-178.511 154.279-105.297 126.361 174.797 0.000 0.000 113.446 0.000 143.365-130.171 # 28 total E -1.40548E+01 rmsd from N 0.000 %NC 0.00 109.870 158.258 143.396-123.598 133.459 176.050 0.000 0.000 126.979-173.286 155.040 10.663 94.563 -90.047 116.604 -76.568 122.135-120.976 144.360 -88.506 95.321-100.648 143.059-129.846 95.620 18.536 150.358 -30.988 96.228 63.768 0.000 0.000 127.814-174.467 157.930 -91.854 129.857 0.357 104.659 -84.692 117.316-171.293 165.883 -69.720 110.599-172.082 148.504-147.979 95.345 24.743 150.374 -31.216 112.907-175.442 0.000 0.000 119.343-173.552 148.597 -96.864 122.636-176.056 137.942 -91.537 121.207-171.898 137.469 -90.604 94.158 31.902 133.381 -90.177 118.211 -42.421 0.000 0.000 110.693 0.000 143.360-125.074 # 29 total E -1.38524E+01 rmsd from N 0.000 %NC 0.00 117.568 -99.624 144.547-125.360 120.673 -6.123 0.000 0.000 118.274 179.610 156.742 160.762 92.287-175.603 116.431 -76.363 136.239 177.823 147.263 -88.898 93.551 -9.652 137.362-106.547 114.041 37.365 150.977-149.883 141.998-177.248 0.000 0.000 94.699 136.721 137.931 -82.096 120.459 -1.477 145.045 -5.645 114.829-170.141 136.171 -93.675 117.606-112.667 153.622 -20.674 94.264 13.458 144.153-134.912 96.215 167.206 0.000 0.000 121.078 175.315 141.979 -70.448 113.650 -7.312 135.331 -93.137 115.107 178.463 135.654 -93.105 95.011 35.600 135.960 -87.795 96.412 53.369 0.000 0.000 111.153 0.000 143.244-123.390 # 30 total E -1.37248E+01 rmsd from N 0.000 %NC 0.00 109.872 158.076 143.400-124.373 131.193 176.032 0.000 0.000 127.383 163.375 155.116 7.451 92.356 101.575 116.290 -76.338 117.425 -96.965 168.396 -71.559 93.589 -94.273 137.976-105.161 93.764 8.571 144.254-135.880 111.459-173.094 0.000 0.000 114.915-177.853 145.183 -71.528 125.023 169.691 150.220-179.327 123.160 -7.107 166.667 -64.006 98.002 10.372 150.708 -30.223 124.220-170.559 112.774 -84.291 125.815 -9.142 0.000 0.000 94.920 171.458 139.785-107.999 120.544-175.748 137.222 -91.457 118.903-174.948 136.622 -91.665 116.478 10.923 154.355-109.437 115.773-164.690 0.000 0.000 113.186 0.000 144.840-133.481 # 31 total E -1.36665E+01 rmsd from N 0.000 %NC 0.00 117.463-103.206 144.285-123.099 118.574 -5.868 0.000 0.000 115.041 179.422 154.376 171.041 114.822 179.796 145.910 -73.334 118.102 112.084 142.728 -88.931 93.595 96.913 137.223-105.307 126.623 179.640 113.033 -84.599 121.873 -3.708 0.000 0.000 117.389 179.112 149.253-105.536 117.405 174.541 143.538 -5.984 121.890-174.783 138.069 -91.751 105.952-170.531 148.153-142.982 95.180 24.799 150.333 -31.255 111.958-175.270 0.000 0.000 119.505-173.499 148.654 -96.827 122.474-175.807 137.889 -91.562 121.244-171.973 137.479 -90.600 94.148 31.876 133.372 -90.210 118.164 -41.479 0.000 0.000 110.717 0.000 143.415-125.766 # 32 total E -1.35323E+01 rmsd from N 0.000 %NC 0.00 115.895-127.189 134.823 -54.043 107.195 -2.618 0.000 0.000 114.947-108.027 153.023 169.603 92.267 108.930 116.294 -76.257 120.295-114.099 143.298 -90.326 95.702 174.644 138.155-108.022 106.820 178.228 148.493-142.370 135.411 -64.963 0.000 0.000 94.417 -3.500 138.874 -93.887 122.890-106.784 151.128-178.847 93.889 73.351 130.630 -97.555 94.285 98.376 150.292 -31.744 110.175-178.981 148.543-146.315 113.912 5.688 0.000 0.000 94.493 169.092 139.077 -98.628 119.146-176.029 136.414 -92.270 120.674-171.628 137.291 -90.682 94.140 31.653 133.431 -90.622 118.138 -41.712 0.000 0.000 110.701 0.000 143.378-125.520 # 33 total E -1.35300E+01 rmsd from N 0.000 %NC 0.00 117.579-101.569 144.163-119.627 118.816 -6.223 0.000 0.000 123.730-179.689 157.293 10.005 113.289-106.266 145.114 -81.171 93.593 81.823 142.442 -73.375 93.749 136.926 137.197-105.575 119.489 18.626 112.414 -84.062 111.374-175.226 0.000 0.000 119.883 -1.566 147.225 -91.581 131.638-169.741 105.804 -84.930 125.032-114.795 139.341 -91.339 95.085 114.240 144.337-136.046 125.521-177.668 112.941 -84.150 110.210 8.909 0.000 0.000 93.974 136.198 139.139 -97.909 120.063-162.674 166.346 -68.437 94.191 84.589 130.766 -96.584 118.466-177.588 154.147-107.603 137.519 -77.420 0.000 0.000 111.741 0.000 142.577-128.051 # 34 total E -1.35235E+01 rmsd from N 0.000 %NC 0.00 110.384 163.327 141.812 -96.820 122.447 49.171 0.000 0.000 120.415 -2.733 154.506 169.087 94.185 166.366 116.589 -76.420 128.708-175.800 146.074 -91.826 122.969-178.911 150.770-120.935 109.150 173.887 148.804-146.210 95.574 51.379 0.000 0.000 115.401 177.197 147.430 -84.528 128.206 173.190 151.407 171.208 118.886 174.528 166.118 -67.583 124.093 -22.505 114.015 -84.958 92.474 -53.516 143.608-133.577 91.923 116.406 0.000 0.000 95.587-164.224 141.697-118.450 124.096-168.009 138.470 -91.102 95.083 105.934 131.210 -96.555 122.761 178.686 153.882-118.605 136.614 -82.834 0.000 0.000 111.075 0.000 143.144-121.953 # 35 total E -1.35159E+01 rmsd from N 0.000 %NC 0.00 93.354 52.577 140.772-117.791 119.406 -7.470 0.000 0.000 108.108-175.173 120.892 -47.352 114.251-170.045 120.175 -78.840 124.837-168.973 144.317 -86.226 93.459 108.641 137.401-106.925 108.640-145.305 148.152-147.515 95.447 52.124 0.000 0.000 93.766 90.604 138.296 -93.838 125.748 2.549 151.470 171.801 95.952 13.135 130.662 -96.859 123.748-171.478 112.642 -84.433 95.213 27.378 144.323-135.885 120.618-174.690 0.000 0.000 118.383-173.980 146.875 -83.067 119.527-176.615 166.173 -69.516 118.994-177.612 166.088 -69.470 119.554 93.670 154.364-110.034 135.603 -83.840 0.000 0.000 111.013 0.000 143.121-122.200 # 36 total E -1.26166E+01 rmsd from N 0.000 %NC 0.00 117.453 -92.205 137.024 -60.341 95.278 70.553 0.000 0.000 117.175 177.919 156.942 165.750 91.260-162.904 116.514 -76.472 120.218 163.400 168.420 -82.093 93.537 12.432 137.411-107.527 112.757 -64.806 152.497 -23.578 127.247-178.846 0.000 0.000 122.885-105.618 152.120-104.475 125.528 178.484 153.258 172.603 127.150-126.966 140.114 -88.955 95.169-106.508 144.897-138.099 96.963 -6.087 145.079-137.083 97.109 76.788 0.000 0.000 123.759 -12.665 150.727-105.071 116.834-151.220 136.211 -92.109 94.691 72.318 131.479 -95.759 117.255-175.133 154.898-117.756 131.424 2.062 0.000 0.000 110.494 0.000 142.466-122.511 # 37 total E -1.25128E+01 rmsd from N 0.000 %NC 0.00 93.365 129.237 138.203 -86.455 128.910 35.596 0.000 0.000 126.318 -5.409 101.821 -81.005 92.724 164.689 116.284 -76.419 131.621 177.142 147.003 -92.013 94.602 169.656 137.655-107.985 118.034 -74.658 153.426 -21.471 114.321 -11.353 0.000 0.000 118.116 178.949 147.656 -90.493 124.299-179.254 152.815 176.165 118.937-173.207 136.941 -90.670 112.818-116.285 152.528 -23.178 94.346 15.520 144.207-135.007 96.718 170.241 0.000 0.000 116.965-176.455 145.034 -82.345 123.554-176.487 138.242 -91.293 121.850-178.004 137.755 -91.644 122.013-179.914 154.285-109.106 136.936 -84.180 0.000 0.000 111.047 0.000 143.134-121.708 # 38 total E -1.21756E+01 rmsd from N 0.000 %NC 0.00 111.449 -8.449 143.904-125.627 95.228 9.615 0.000 0.000 116.789 167.239 155.140 169.231 92.160 6.892 116.412 -76.250 115.672-177.368 168.413 -72.977 97.325-178.207 137.229-110.312 93.269 14.006 150.226 -32.235 104.040-114.096 0.000 0.000 120.257 174.072 147.476-110.356 122.548 -7.195 143.063 -4.913 133.824 -9.303 142.410 -88.879 93.826 173.652 143.853-135.943 96.573 27.764 143.004-145.730 95.756 168.471 0.000 0.000 94.773 174.573 138.380 -95.023 123.632-175.859 138.420 -91.491 118.784-177.767 165.995 -69.670 119.612 93.178 154.324-110.135 135.643 -84.625 0.000 0.000 111.063 0.000 143.121-121.455 # 39 total E -1.16595E+01 rmsd from N 0.000 %NC 0.00 109.844 157.555 143.322-124.015 128.751 -6.645 0.000 0.000 124.222-126.610 101.352 -81.390 114.160-178.653 120.041 -78.491 120.365 -2.333 144.343 -91.587 117.801 159.195 151.969-111.847 108.820-170.702 148.401-145.037 94.955 55.868 0.000 0.000 94.069 1.645 138.697 -91.993 121.092 87.772 151.467 179.519 118.923 168.799 165.959 -71.323 108.879 160.441 148.828-146.111 134.159-173.637 113.634 -84.694 104.746 -2.176 0.000 0.000 93.983 95.808 139.110 -97.965 97.095 120.032 132.327 -96.815 126.997-178.983 139.495 -90.701 121.576-168.819 153.857-109.864 126.521 2.362 0.000 0.000 109.665 0.000 143.145-115.636 # 40 total E -1.12101E+01 rmsd from N 0.000 %NC 0.00 117.840 -94.774 144.288-114.464 130.734-114.936 0.000 0.000 94.315 57.327 147.749-140.304 92.120 117.966 116.467 -76.157 117.821 -8.886 168.284 -77.259 123.212-128.379 152.086-127.221 94.483 25.518 144.245-135.480 96.158 170.140 0.000 0.000 123.370-111.156 145.150 -72.326 134.246 171.206 105.045 -87.610 93.647 97.329 141.895 -74.252 94.931 88.950 144.167-135.635 94.971 70.156 145.248-136.238 118.166 2.368 0.000 0.000 120.446-116.817 149.218 -99.102 119.824-174.174 137.063 -92.001 122.000-179.170 137.749 -91.605 121.770-179.576 154.294-109.111 136.948 -84.221 0.000 0.000 111.062 0.000 143.125-121.742 # 41 total E -1.11954E+01 rmsd from N 0.000 %NC 0.00 93.370 54.101 140.727-115.302 117.080 -4.290 0.000 0.000 117.991 99.985 155.951 152.223 92.476 110.157 116.536 -76.045 132.107 150.767 145.359 -89.539 94.216 109.120 137.530-106.454 114.318 -76.323 150.502-149.629 95.136 63.058 0.000 0.000 94.529 175.771 137.717 -90.200 127.544 179.301 151.005 171.356 94.281 98.872 129.822 -94.646 94.174 87.598 142.937-137.658 109.220 175.182 148.817-145.935 129.118 173.852 0.000 0.000 124.768-121.254 150.298-102.641 120.088-174.934 166.420 -68.632 117.664 -4.040 165.868 -69.817 120.624 -63.503 154.318-108.341 129.402-119.852 0.000 0.000 113.153 0.000 142.707-133.583 # 42 total E -1.07584E+01 rmsd from N 0.000 %NC 0.00 93.358 116.587 140.760-117.191 131.380 177.605 0.000 0.000 125.900-170.302 101.714 -75.619 93.368 7.789 116.429 -76.388 125.561 179.092 145.098 -89.489 96.144-160.359 141.141-113.195 95.022 35.119 150.407 -31.445 95.350 170.958 0.000 0.000 120.846-175.130 142.951 -76.172 126.537 -1.654 153.010 172.269 119.098-172.478 166.033 -74.951 94.862 94.044 144.415-136.531 107.323 178.263 148.159-144.338 119.788 -2.565 0.000 0.000 94.608 168.897 139.074 -98.825 118.877-176.998 166.021 -69.579 118.747-175.244 136.885 -92.223 118.084 13.666 154.366-109.807 119.793 -15.220 0.000 0.000 110.252 0.000 143.063-121.903 # 43 total E -1.05465E+01 rmsd from N 0.000 %NC 0.00 110.967 166.215 142.997-103.439 121.592 57.207 0.000 0.000 119.115 -0.057 154.442 170.517 92.941 174.629 116.615 -76.385 119.223-179.133 168.923 -77.274 94.058 90.768 137.955-109.992 92.230 12.336 111.105 -82.545 94.707 -98.518 0.000 0.000 94.059 157.176 138.606 -94.311 96.433 92.141 137.271-136.615 119.845 177.597 166.207 -79.807 106.749-172.058 148.040-145.393 93.762 26.382 143.948-135.543 109.721-175.155 0.000 0.000 123.949-113.661 152.071-109.161 129.821 -3.811 140.422 -89.558 95.025 17.782 130.860 -96.436 124.090-173.795 154.229 -93.373 113.707 168.868 0.000 0.000 115.383 0.000 141.542-142.914 # 44 total E -1.05336E+01 rmsd from N 0.000 %NC 0.00 93.364 55.798 140.954-117.714 120.100 -6.259 0.000 0.000 125.003-174.510 156.357 10.739 112.314-109.157 144.577 -81.032 116.757 108.153 168.479 -73.180 93.487 106.963 137.471-106.188 94.910 48.989 143.689-133.956 128.158 -56.693 0.000 0.000 119.854-175.816 147.721 -88.740 125.498-178.346 151.891 175.768 120.433-164.343 137.259 -90.240 95.366 114.611 144.376-136.151 110.032 21.199 152.112 -25.037 114.702-176.143 0.000 0.000 94.262 106.554 139.111 -98.317 120.225 179.484 137.066 -92.283 123.004-176.903 138.045 -91.125 96.574 173.210 134.513 -90.395 137.052 -84.205 0.000 0.000 111.059 0.000 143.125-122.021 # 45 total E -1.03840E+01 rmsd from N 0.000 %NC 0.00 113.430-154.267 142.745-106.265 129.215 178.475 0.000 0.000 125.909-173.241 101.452 -74.394 93.905 11.279 116.514 -76.444 128.247 -2.693 145.998 -89.272 120.118-122.103 151.501-113.125 109.013-178.132 148.821-145.494 126.547 -0.691 0.000 0.000 119.689-118.157 148.334 -85.767 123.040 178.225 151.385-179.950 93.502 86.376 141.959 -74.243 94.206 94.082 144.083-134.924 115.194 177.409 152.935 -22.723 120.904 -3.844 0.000 0.000 115.259-179.610 148.012 -96.471 119.170-179.219 166.114 -69.687 93.580 100.546 141.954 -74.215 122.190 179.038 154.023-107.615 136.506 -82.447 0.000 0.000 111.041 0.000 143.152-121.823 # 46 total E -1.01269E+01 rmsd from N 0.000 %NC 0.00 112.649 -29.104 143.075-117.127 117.851 72.992 0.000 0.000 114.432 -3.780 122.678 -47.578 94.632 162.409 116.821 -76.741 118.302-178.195 168.590 -76.007 121.512-168.489 151.576-129.384 94.005 27.718 144.045-135.449 112.257-176.216 0.000 0.000 122.537-123.596 147.626 -83.422 125.943 165.185 153.007 175.446 96.011 69.756 131.405 -94.938 115.344-157.229 152.866 -20.760 93.778 53.705 144.191-135.157 94.727 48.585 0.000 0.000 94.329 104.666 138.967 -92.796 126.281 177.553 139.202 -91.439 95.639 95.925 130.682 -95.926 123.035-176.336 154.830-105.390 95.293 131.370 0.000 0.000 112.889 0.000 140.630-121.275 # 47 total E -1.01205E+01 rmsd from N 0.000 %NC 0.00 117.206-107.667 142.826-106.464 107.891 -6.279 0.000 0.000 96.558 151.029 159.005 167.011 93.331 107.400 116.679 -75.478 118.056-176.211 168.514 -71.034 93.716 114.450 137.580-107.288 108.161 178.916 147.745-141.821 113.615 27.626 0.000 0.000 113.443 -10.359 145.844 -87.878 131.001 175.763 105.612 -84.702 124.541-177.227 139.236 -91.314 127.343 178.099 113.273 -84.400 107.976 176.032 148.651-145.226 142.279 -8.947 0.000 0.000 121.877 -6.416 149.507 -99.593 93.542 171.277 141.963 -74.189 127.807-176.766 140.286 -91.803 121.184-179.076 154.308-108.442 136.824 -84.020 0.000 0.000 111.066 0.000 143.115-121.708 # 48 total E -1.01189E+01 rmsd from N 0.000 %NC 0.00 93.360 116.933 140.833-117.374 128.344 175.966 0.000 0.000 107.723 139.003 120.866 -48.934 117.925 104.560 120.837 -79.449 93.842 91.679 142.551 -73.557 122.008-112.870 151.136-108.855 91.791 -3.091 143.371-133.190 104.992-117.599 0.000 0.000 121.537 174.643 149.558-111.733 118.795 -5.706 143.581 -5.686 126.051-171.116 139.772 -91.297 96.349 93.717 150.605 -30.922 114.814 178.973 152.802 -22.691 120.535 -3.698 0.000 0.000 116.415 178.748 148.247 -96.619 119.116-175.239 166.105 -70.404 122.185-117.086 137.942 -91.508 117.574 7.185 154.358-108.031 95.729 76.870 0.000 0.000 111.364 0.000 143.309-121.143 # 49 total E -9.64031E+00 rmsd from N 0.000 %NC 0.00 93.360 62.697 139.982-104.981 95.399 66.208 0.000 0.000 127.163-113.860 102.125 -83.196 112.186-178.543 119.895 -78.730 117.830-177.576 168.494 -74.627 121.231 174.798 151.218-116.785 120.001 84.120 112.789 -83.993 110.475 -2.748 0.000 0.000 115.937 171.952 147.298 -90.647 123.994 177.829 152.525 175.276 118.327-177.026 165.908 -67.716 106.872-170.764 148.168-144.936 95.229 24.932 150.342 -31.222 112.001-175.563 0.000 0.000 119.479-172.708 148.752 -97.261 126.455-177.789 139.267 -90.383 110.736 -5.635 134.630 -93.711 119.543 -60.594 154.274-107.695 119.112-157.230 0.000 0.000 114.836 0.000 141.730-140.739 # 50 total E -9.54558E+00 rmsd from N 0.000 %NC 0.00 109.783 156.986 143.395-124.297 128.085 172.978 0.000 0.000 129.840 119.165 153.588 2.362 92.955 40.746 116.412 -76.373 119.966 88.028 168.616 -68.089 94.340 68.431 141.101-113.681 94.548 21.422 143.892-137.126 96.435-178.023 0.000 0.000 119.530-175.845 149.098 -95.966 134.592-102.281 106.790 -87.577 123.738 -3.997 138.654 -91.072 98.371 64.037 145.315-137.958 107.967 169.736 148.356-143.672 117.121 -16.799 0.000 0.000 95.034 173.324 141.247-115.609 121.378-174.183 137.628 -91.428 118.388-175.494 165.939 -69.550 117.795 11.884 154.338-110.169 95.499 86.547 0.000 0.000 111.620 0.000 143.089-121.067 # 51 total E -9.41884E+00 rmsd from N 0.000 %NC 0.00 109.783 157.468 143.262-122.942 127.697 175.539 0.000 0.000 123.966-110.832 101.856 -86.674 93.847 73.695 116.633 -76.570 93.663 101.464 142.618 -73.453 95.761-109.547 137.575-109.918 124.062-178.335 113.037 -84.087 131.168 176.174 0.000 0.000 120.961-177.630 148.042 -90.194 126.250-179.876 151.905 173.924 124.431 179.392 138.093 -88.209 121.458 -8.580 112.855 -84.077 108.534 64.555 148.904-145.415 125.851 -6.736 0.000 0.000 119.815 179.359 149.025 -98.461 121.621-174.299 137.678 -91.681 118.736-177.410 165.849 -68.931 116.170 8.561 154.367-109.963 114.648-166.094 0.000 0.000 113.613 0.000 145.217-139.870 # 52 total E -9.30851E+00 rmsd from N 0.000 %NC 0.00 112.658-160.805 139.725 -82.726 108.676 -4.250 0.000 0.000 114.346 97.269 159.588 174.909 93.296 53.401 116.988 -75.816 122.848 -12.982 143.907 -90.003 95.376-140.333 137.793-107.398 113.370 175.303 152.807 -22.191 136.900 -13.134 0.000 0.000 116.321 -10.030 146.645 -86.660 124.178 167.303 152.915 176.785 93.489 109.322 142.059 -74.304 133.122-106.278 114.058 -85.037 94.989 26.420 150.288 -31.259 113.679-174.859 0.000 0.000 124.223-170.842 148.915-109.590 125.014-116.771 138.565 -90.705 119.234-113.898 166.090 -69.359 113.630 1.845 154.397-110.745 110.225-167.836 0.000 0.000 115.137 0.000 144.561-154.577 # 53 total E -9.12800E+00 rmsd from N 0.000 %NC 0.00 117.469-102.915 144.290-123.295 118.859 -6.147 0.000 0.000 115.244 178.563 154.498 170.537 114.295-178.822 146.023 -75.256 117.376-177.559 168.445 -74.115 123.201-164.288 151.799-131.764 95.077 65.488 150.333 -31.151 94.297 70.628 0.000 0.000 114.653 -3.819 145.741 -76.685 132.657-175.821 105.872 -85.187 122.337-174.117 137.703 -90.727 105.891-171.240 147.684-144.034 93.944 25.046 143.920-135.507 111.719-175.433 0.000 0.000 119.654-173.082 148.694 -96.198 123.480-176.516 138.215 -91.303 121.843-178.281 137.738 -91.624 122.007-179.999 154.287-109.076 136.917 -84.188 0.000 0.000 111.052 0.000 143.115-121.682 # 54 total E -9.00826E+00 rmsd from N 0.000 %NC 0.00 117.222-109.612 144.084-118.805 95.209 76.761 0.000 0.000 123.856 1.258 101.094 -81.144 93.443 161.191 116.426 -76.507 127.777-177.288 145.389 -92.749 122.441-115.339 152.017-126.850 95.827 16.991 111.439 -83.008 96.477 167.211 0.000 0.000 117.606 -3.601 138.617 -55.162 121.120 178.635 146.784 -1.934 121.443-176.654 137.950 -91.586 106.036-171.245 148.026-144.971 93.903 25.178 143.917-135.378 111.243-175.442 0.000 0.000 119.066-172.244 148.504 -96.267 123.829 179.920 138.312 -91.160 95.629 99.731 131.031 -96.305 122.138 179.904 154.218-108.111 136.447 -82.300 0.000 0.000 111.039 0.000 143.133-122.175 # 55 total E -8.84723E+00 rmsd from N 0.000 %NC 0.00 93.386 127.033 141.080-114.375 135.242 -94.586 0.000 0.000 117.987 -2.267 154.406 170.331 93.006 176.095 116.585 -76.452 118.570-177.737 168.530 -77.928 121.996-179.428 151.206-125.688 108.987 13.686 152.014 -25.394 115.510-172.751 0.000 0.000 120.142-172.931 148.493 -91.759 134.448-115.349 105.881 -86.316 118.721-173.839 166.077 -70.274 116.555 176.587 153.152 -21.803 114.041 177.865 152.627 -23.173 120.857 -4.270 0.000 0.000 115.656 177.238 148.098 -96.052 121.462-175.638 137.714 -92.034 119.855-174.647 136.907 -91.501 116.552 10.924 154.354-109.358 115.882-164.617 0.000 0.000 113.173 0.000 144.835-133.584 # 56 total E -8.80418E+00 rmsd from N 0.000 %NC 0.00 109.938 158.305 143.423-124.050 129.714 175.904 0.000 0.000 117.341-178.490 154.236 169.498 114.368 178.086 146.502 -79.797 94.433 170.738 142.520 -73.526 94.474 179.927 138.451-111.060 119.007 35.511 112.899 -84.224 94.891 44.591 0.000 0.000 117.556 145.373 147.614 -92.938 126.769-118.583 150.615 173.170 123.533-112.523 138.304 -91.572 108.325-120.429 148.712-145.713 110.246 177.595 149.562-147.074 125.951 173.975 0.000 0.000 123.609 -0.777 149.965-101.014 117.027-176.117 136.308 -92.617 125.163-178.076 138.814 -90.961 121.865-179.804 154.287-108.662 136.848 -84.207 0.000 0.000 111.048 0.000 143.107-121.741 # 57 total E -8.70879E+00 rmsd from N 0.000 %NC 0.00 115.677-131.463 133.478 -48.433 108.855 -3.357 0.000 0.000 124.957-175.950 156.905 12.361 94.296 -95.702 116.878 -76.765 93.474 68.067 142.397 -73.487 93.482 87.923 136.924-105.241 94.181 33.991 143.893-137.706 95.767 170.113 0.000 0.000 122.829-120.917 150.325 -92.960 124.648 -2.802 151.802 176.481 123.484 -7.338 137.910 -91.747 114.164 92.400 152.751 -23.051 93.215 23.505 143.841-136.229 107.692-108.156 0.000 0.000 119.111-175.655 148.861 -98.152 119.618-176.051 166.163 -70.263 122.322-118.424 137.977 -91.485 117.752 7.227 154.364-108.175 95.722 77.436 0.000 0.000 111.388 0.000 143.313-121.206 # 58 total E -8.63695E+00 rmsd from N 0.000 %NC 0.00 93.336 74.881 140.292-116.131 125.463 178.394 0.000 0.000 117.741-113.242 151.238 169.427 124.240-176.694 122.261 -79.964 130.134 -7.324 145.136 -90.508 93.724 -4.925 137.033-105.559 116.824 -72.285 112.491 -83.829 93.856 70.591 0.000 0.000 123.044-113.727 149.650 -89.569 123.657 176.116 152.269 173.733 118.520-167.080 165.900 -66.582 95.749 102.371 150.446 -31.057 94.370 66.625 143.873-134.290 95.601 61.472 0.000 0.000 121.952 176.558 149.840 -98.980 118.300 -2.605 136.591 -92.256 119.574-175.470 136.982 -91.255 94.456 32.109 133.582 -91.105 118.510 -40.661 0.000 0.000 110.670 0.000 143.363-125.091 # 59 total E -8.37350E+00 rmsd from N 0.000 %NC 0.00 93.370 63.091 141.526-124.889 95.066 116.627 0.000 0.000 125.426 -0.053 157.513 9.556 92.332 4.581 116.247 -76.287 125.825-119.473 144.262 -87.529 94.495 173.308 138.233-108.502 126.760-175.407 113.265 -84.455 116.148 1.223 0.000 0.000 117.216 168.484 147.534 -90.988 121.852-110.696 151.061-175.742 93.423 54.439 130.523 -97.480 93.503 93.888 143.785-134.568 123.011-177.467 154.770 -18.385 112.670 -1.688 0.000 0.000 118.575 174.703 148.745 -98.024 96.285 107.616 131.439 -94.995 116.316 177.523 135.979 -92.403 118.312 7.148 154.189-111.416 95.333 112.667 0.000 0.000 112.711 0.000 143.159-126.995 # 60 total E -8.24364E+00 rmsd from N 0.000 %NC 0.00 109.760 14.779 143.544-124.549 118.449 -8.111 0.000 0.000 114.865 178.830 153.999 171.713 109.847-179.782 119.571 -78.230 117.547 178.972 168.458 -75.859 95.192-176.440 138.548-112.866 94.146 29.921 144.219-135.483 114.314-175.104 0.000 0.000 118.804-172.893 148.326-105.194 120.406 166.729 142.332 -6.270 94.103 75.983 130.784 -96.985 94.472 106.249 143.835-134.476 116.942 173.104 153.090 -22.271 135.019 -66.730 0.000 0.000 118.766 -3.965 148.811 -97.934 119.429 0.437 136.951 -91.944 121.410-173.316 137.563 -91.765 120.547 14.548 153.259 -88.688 120.566 -15.438 0.000 0.000 110.262 0.000 143.065-121.895 # 61 total E -7.93620E+00 rmsd from N 0.000 %NC 0.00 109.829 157.721 143.319-123.807 125.654 -6.671 0.000 0.000 119.407-161.546 99.659 -72.025 106.068-177.123 118.660 -77.810 122.802-175.315 143.161 -91.482 121.683-167.394 151.130-126.891 94.190 26.777 144.040-135.543 114.216-175.469 0.000 0.000 117.075-176.397 146.427 -85.570 126.362 173.483 152.251 174.242 109.359 170.196 134.733 -92.771 114.758-116.967 152.779 -22.461 93.343 17.385 143.876-134.249 96.239 171.902 0.000 0.000 120.268-173.073 145.278 -79.759 96.220 115.660 131.183 -96.270 114.088 -1.404 135.278 -92.058 124.880-177.963 154.201-108.053 134.687 -83.675 0.000 0.000 111.047 0.000 143.133-121.842 # 62 total E -7.77534E+00 rmsd from N 0.000 %NC 0.00 109.043 154.307 142.300-119.713 134.672 -92.557 0.000 0.000 117.834 -3.377 154.408 171.072 93.529 172.997 116.516 -76.355 127.569-176.574 145.794 -92.533 124.808-176.669 150.447-121.753 114.446 177.623 152.434 -22.667 114.087 -1.519 0.000 0.000 110.516 178.109 146.861 -89.897 136.535-175.924 107.781 -87.204 94.536 111.822 130.709 -95.970 102.089 -86.224 146.336-140.540 91.995 104.562 143.636-133.461 92.999 51.560 0.000 0.000 93.425 77.530 138.109 -89.371 119.792 -10.262 166.160 -69.547 96.540 28.029 131.240 -96.245 123.671-177.647 154.226-107.762 136.645 -70.242 0.000 0.000 113.793 0.000 140.962-142.689 # 63 total E -6.43556E+00 rmsd from N 0.000 %NC 0.00 117.569 -83.014 143.952-108.665 114.312 -1.483 0.000 0.000 124.359-178.933 156.776 7.884 109.827 173.519 143.974 -78.794 128.755 2.219 147.224 -91.509 93.664 -1.272 137.430-105.948 127.725 -83.405 113.309 -84.305 96.477 172.977 0.000 0.000 116.848 114.568 146.476 -89.916 125.319 178.104 152.439 174.743 121.334-163.211 137.609 -89.773 95.261 114.151 144.316-136.176 118.604 23.806 112.584 -83.855 119.087-174.929 0.000 0.000 123.465-117.246 149.892-101.058 124.300-119.057 138.387 -90.971 123.097-115.748 138.182 -90.751 94.445 54.603 133.499 -90.023 96.459 87.697 0.000 0.000 109.352 0.000 142.602 -96.226 # 64 total E -6.32087E+00 rmsd from N 0.000 %NC 0.00 116.801 -71.031 143.410-104.687 130.063 -89.225 0.000 0.000 117.646 -3.133 154.402 171.491 93.332 174.886 116.483 -76.327 128.054-176.536 145.480 -92.698 123.796-178.942 150.615-121.370 117.224 172.586 153.151 -21.496 131.527 174.951 0.000 0.000 122.517-175.025 149.699 -96.371 135.730-176.968 106.274 -85.975 118.203-175.176 136.467 -91.568 106.297-172.023 147.905-146.063 94.358 30.311 144.058-135.646 96.070 170.167 0.000 0.000 122.820-114.212 147.121 -89.506 124.140-115.706 138.363 -91.154 124.173-121.014 138.479 -91.070 122.317-179.421 154.331-107.998 136.664 -84.367 0.000 0.000 111.058 0.000 143.119-121.786 # 65 total E -5.99706E+00 rmsd from N 0.000 %NC 0.00 93.359 55.064 140.740-115.688 120.205 -5.646 0.000 0.000 115.873 179.823 154.474 170.074 116.468-178.937 146.996 -75.336 116.996 -2.881 168.417 -73.683 122.637-179.132 151.220-120.589 111.352 9.877 152.340 -24.350 111.521-174.635 0.000 0.000 94.114 98.959 139.455 -98.128 93.144 100.254 128.393 -24.766 95.630 106.781 130.761 -95.966 117.589-118.631 153.227 -21.303 113.652-179.626 152.563 -23.372 120.347 -3.799 0.000 0.000 115.794 177.045 148.118 -96.074 121.446-175.697 137.697 -92.005 119.850-174.671 136.907 -91.502 116.562 10.896 154.356-109.437 115.848-164.621 0.000 0.000 113.164 0.000 144.830-133.474 # 66 total E -5.87888E+00 rmsd from N 0.000 %NC 0.00 110.478 167.421 140.132 -85.771 111.045 -2.403 0.000 0.000 93.615 112.140 146.081-131.568 92.833 17.341 117.240 -75.903 119.361 179.589 142.550 -89.498 125.371-119.574 151.783-145.633 95.032 16.239 144.435-135.663 96.615 166.625 0.000 0.000 117.522 -3.930 138.746 -54.820 121.175 179.738 146.902 -1.738 122.928-178.686 138.383 -91.587 128.021 177.971 113.399 -84.494 114.497 178.623 152.753 -22.967 119.553 -3.180 0.000 0.000 115.212 170.108 147.972 -95.456 96.162 103.514 131.079 -96.246 118.989 177.316 166.100 -69.961 122.241 -55.900 154.320-109.689 128.895 -76.004 0.000 0.000 110.892 0.000 143.097-121.605 # 67 total E -5.68354E+00 rmsd from N 0.000 %NC 0.00 109.779 15.130 143.602-124.717 115.907 -6.490 0.000 0.000 115.717 106.016 157.054 159.178 93.222 5.853 116.812 -75.895 117.190-173.818 168.575 -75.453 97.828 177.530 139.522-112.952 106.315 176.692 148.782-141.029 136.760 -65.285 0.000 0.000 120.665 -2.093 149.266 -84.835 123.486-177.742 151.916 178.702 119.137-176.976 166.013 -67.179 107.704 175.863 148.434-145.444 112.171 14.230 112.294 -83.619 111.033-175.025 0.000 0.000 122.095-105.078 149.318 -99.056 94.435 81.210 130.650 -96.477 94.541 95.293 130.737 -96.764 96.781 177.065 134.181 -90.770 126.834 177.331 0.000 0.000 113.082 0.000 143.311-126.599 # 68 total E -5.41242E+00 rmsd from N 0.000 %NC 0.00 117.591 -99.969 144.288-121.036 120.619 -7.150 0.000 0.000 124.047-166.364 156.970 12.838 113.037-103.421 144.921 -81.013 116.591 107.162 168.456 -73.201 93.312 97.707 136.935-105.281 115.639-177.015 153.171 -22.978 134.994 5.911 0.000 0.000 122.745 -7.759 141.735 -61.165 123.251 179.594 146.463 -1.737 121.098-174.493 137.655 -91.702 105.781-100.185 147.921-144.351 96.117 -39.327 150.432 -30.781 122.130 -19.938 0.000 0.000 120.901 170.522 149.007 -95.255 95.158 88.536 130.617 -96.143 93.532 102.828 141.928 -74.210 123.258 178.249 153.828-114.624 136.528 -82.273 0.000 0.000 111.008 0.000 143.100-121.600 # 69 total E -5.39142E+00 rmsd from N 0.000 %NC 0.00 93.357 116.972 140.770-116.831 129.050 176.285 0.000 0.000 124.141-155.048 100.848 -73.534 109.494-178.267 119.269 -78.217 120.059 111.725 142.276 -91.238 93.583 99.755 137.251-105.320 130.481 176.405 113.344 -84.855 130.664 174.996 0.000 0.000 120.930-176.796 148.018 -89.587 125.179 178.780 151.734 175.933 119.049-169.877 165.947 -65.821 93.932 94.523 143.938-135.200 115.340 178.350 152.630 -22.897 118.312 37.938 0.000 0.000 117.070 -7.627 148.416 -96.757 118.845 176.553 136.886 -92.250 125.860-178.652 139.518 -91.039 121.947-179.802 154.288-108.567 136.837 -84.020 0.000 0.000 111.055 0.000 143.115-121.753 # 70 total E -5.30525E+00 rmsd from N 0.000 %NC 0.00 108.091 152.618 141.644-127.478 132.351 177.399 0.000 0.000 123.982-121.637 101.984 -84.085 93.175 75.260 116.539 -76.511 93.679 -10.390 142.493 -73.371 120.897 95.494 151.684-114.056 117.681 172.685 153.336 -21.235 108.906 -5.745 0.000 0.000 109.724 175.730 147.325 -98.493 120.126 155.812 142.630 -6.752 122.385 -6.009 138.057 -91.838 95.780 117.976 144.475-136.007 94.723 39.729 144.508-137.235 112.974-176.438 0.000 0.000 121.595-174.016 149.495 -99.636 120.746 -1.688 137.360 -91.772 118.637-178.923 166.029 -70.176 122.060 93.529 154.321-112.790 135.470 -83.860 0.000 0.000 111.052 0.000 143.125-121.764 # 71 total E -5.25298E+00 rmsd from N 0.000 %NC 0.00 109.506 17.483 143.460-125.323 125.344-173.244 0.000 0.000 126.088-119.815 156.530 9.305 118.832-109.221 147.672 -75.830 121.315-172.537 144.085 -89.842 94.140 123.866 137.442-108.466 105.530 176.985 146.812-140.870 94.990 60.331 0.000 0.000 93.899 0.858 138.729 -91.909 124.841 170.844 153.066 173.942 126.406 111.321 139.330 -88.718 114.201 115.703 152.761 -22.854 108.821 -8.006 112.023 -83.435 108.570 -96.079 0.000 0.000 116.389 179.168 148.258 -96.441 124.985-176.186 139.329 -91.945 118.428-172.376 137.266 -93.540 120.797 20.490 154.297-110.285 96.219 170.458 0.000 0.000 108.884 0.000 137.711 -86.671 # 72 total E -5.20161E+00 rmsd from N 0.000 %NC 0.00 93.362 55.938 140.927-117.790 119.176 -3.839 0.000 0.000 125.154 171.396 156.361 7.462 110.410 173.868 143.688 -79.730 120.749-170.245 146.735 -90.682 95.299-158.861 137.910-109.238 108.783 163.863 148.341-143.318 122.737 -15.189 0.000 0.000 94.630 -11.336 137.955 -91.320 135.354 174.510 106.401 -86.560 120.861-158.109 166.231 -63.303 94.560 80.400 150.287 -31.549 121.031 172.830 112.611 -83.526 132.059 -14.145 0.000 0.000 117.610 -7.387 151.370-128.523 109.453-179.372 134.049 -93.578 126.665-177.101 139.589 -91.885 121.566-179.372 154.304-108.664 136.864 -84.149 0.000 0.000 111.045 0.000 143.110-121.729 # 73 total E -5.04315E+00 rmsd from N 0.000 %NC 0.00 109.898 158.321 143.384-123.614 120.489 -5.802 0.000 0.000 113.800 174.081 153.818 172.546 93.394 104.686 116.605 -76.255 116.997 117.308 168.449 -73.708 93.996 120.409 137.449-106.233 116.374 19.466 153.009 -22.001 127.017 -15.546 0.000 0.000 119.940 170.025 148.151 -92.657 125.960-179.961 151.666 172.844 119.894-176.311 137.122 -90.527 106.548 177.618 147.725-144.273 118.999 16.752 112.711 -83.909 95.161 106.082 0.000 0.000 118.694 -3.976 150.366-100.667 118.731 179.730 166.018 -69.605 121.885 4.553 137.851 -91.698 124.465-173.440 154.246-107.802 124.528 12.981 0.000 0.000 110.345 0.000 142.995-121.098 # 74 total E -4.76448E+00 rmsd from N 0.000 %NC 0.00 111.407 -6.663 143.923-125.134 95.109 10.376 0.000 0.000 113.837 167.992 154.220 171.744 93.537 105.776 116.642 -76.248 117.482 178.659 168.431 -73.901 124.673-174.601 150.860-121.620 115.956 -70.772 152.974 -22.168 119.457 -15.617 0.000 0.000 117.436 175.279 147.279 -89.040 126.129-117.649 150.605 177.135 123.074-114.035 138.150 -91.523 111.812-117.897 152.417 -23.295 94.944 14.820 144.392-135.397 96.663 167.033 0.000 0.000 116.721 -1.452 146.117 -79.771 114.171 -0.180 135.468 -92.932 119.186-175.303 166.151 -70.089 123.475 179.653 153.060 -93.986 136.995 -84.254 0.000 0.000 111.051 0.000 143.116-121.804 # 75 total E -4.46984E+00 rmsd from N 0.000 %NC 0.00 109.932 14.534 143.604-121.851 95.572 51.259 0.000 0.000 117.571-179.588 152.309 166.561 120.830 2.738 121.359 -79.263 122.839-164.354 144.034 -89.398 127.740-163.074 150.115-129.603 95.148 38.030 150.330 -31.265 94.806 166.501 0.000 0.000 121.465 -4.133 144.792 -83.541 113.082 73.839 102.516 -80.780 93.885 -6.422 130.705 -96.720 109.650-118.934 152.051 -25.042 108.326-168.934 149.398-150.669 94.814 43.126 0.000 0.000 94.062 118.909 141.212-107.854 94.805 76.891 129.405 -94.147 116.732 174.250 136.477 -92.843 122.978 -53.063 154.285-115.522 122.144-154.413 0.000 0.000 112.694 0.000 143.415-125.915 # 76 total E -4.44295E+00 rmsd from N 0.000 %NC 0.00 110.196 164.934 138.740 -76.181 107.892 -7.836 0.000 0.000 94.278 118.706 148.744-126.551 92.458 57.839 116.929 -75.918 121.183 -14.097 143.698 -90.193 115.686 16.331 152.233-109.827 117.856-170.849 152.985 -21.272 125.821 -5.028 0.000 0.000 119.514-109.828 149.160-103.792 95.001 117.408 137.932-136.781 119.469-116.954 165.982 -73.715 107.762-114.955 148.530-145.149 94.604 145.450 144.330-135.279 119.963 1.576 0.000 0.000 116.377 177.722 148.238 -96.324 118.473 113.165 165.900 -69.585 93.628 106.859 141.923 -74.203 94.536 26.521 133.220 -90.727 96.230 87.842 0.000 0.000 114.325 0.000 141.423-140.602 # 77 total E -4.34678E+00 rmsd from N 0.000 %NC 0.00 110.813 -1.609 143.614-125.580 123.246 67.983 0.000 0.000 124.133-122.517 100.645 -78.186 93.322 69.865 116.422 -76.408 116.294-171.535 168.331 -72.250 125.270-168.550 151.217-131.606 112.680 168.517 149.366-148.292 124.663 172.879 0.000 0.000 94.511 112.191 138.464 -96.090 126.793 -0.167 151.286 173.082 125.775 176.344 138.885 -91.268 127.971 172.559 113.505 -84.526 116.204 -38.126 152.961 -21.982 94.266 74.477 0.000 0.000 118.619-111.138 148.795 -97.693 120.344-169.372 137.110 -91.831 95.656 107.561 130.633 -95.043 120.085 179.310 154.230-108.631 130.409 17.512 0.000 0.000 110.895 0.000 141.990-123.652 # 78 total E -4.20810E+00 rmsd from N 0.000 %NC 0.00 109.891 158.102 143.377-123.605 124.120 -5.679 0.000 0.000 115.634-179.919 154.055 170.717 117.060-178.932 120.778 -78.941 119.824 -2.106 142.997 -89.327 122.663 178.368 151.099-116.969 121.569 12.963 112.874 -84.048 117.670-173.480 0.000 0.000 119.750-174.227 149.557-107.801 117.227 141.824 143.839 -5.787 96.070 98.971 131.235 -96.569 127.755 176.688 113.524 -84.437 128.406-179.750 113.359 -84.300 118.691 -5.999 0.000 0.000 115.638-126.240 147.980 -95.899 93.658 82.892 130.405 -96.538 94.758 3.081 130.828 -96.315 124.890-179.672 154.165-107.439 131.997 -97.077 0.000 0.000 111.577 0.000 143.894-126.103 # 79 total E -3.90563E+00 rmsd from N 0.000 %NC 0.00 115.572-129.642 141.012 -88.040 117.333 177.723 0.000 0.000 118.723-178.869 152.962 170.276 116.191-179.685 146.840 -75.228 117.563-176.393 168.455 -74.431 124.417-120.385 150.870-122.682 112.166 -49.076 152.408 -23.864 124.846 -90.316 0.000 0.000 121.767-177.727 149.507 -96.257 134.231 1.815 105.864 -85.836 119.567-177.544 136.802 -92.334 130.797 178.879 113.559 -84.577 114.489 178.027 152.698 -22.957 120.438 -3.985 0.000 0.000 115.826 177.661 148.140 -96.098 121.681-175.746 137.767 -91.948 121.789-179.061 137.719 -91.621 121.938-179.994 154.288-109.022 136.911 -84.568 0.000 0.000 111.075 0.000 143.133-121.913 # 80 total E -3.77072E+00 rmsd from N 0.000 %NC 0.00 93.353 115.302 140.729-117.607 129.487 176.116 0.000 0.000 117.693 178.281 154.242 171.196 107.330 179.571 118.950 -77.800 130.691-174.773 148.196 -91.817 115.409 -1.260 152.072-116.580 108.009 60.415 112.026 -83.429 109.875-177.140 0.000 0.000 126.152-104.147 153.449-104.414 123.185-118.048 149.376-173.673 95.644 107.009 131.115 -96.919 125.093 171.707 112.977 -84.481 110.168 13.168 152.141 -24.818 115.090-173.494 0.000 0.000 119.752-173.650 148.906 -95.396 119.473-177.876 166.146 -69.814 121.893-178.393 137.829 -91.664 121.924-179.968 154.310-109.293 136.922 -84.230 0.000 0.000 111.058 0.000 143.105-121.863 # 81 total E -3.66270E+00 rmsd from N 0.000 %NC 0.00 93.357 115.658 140.802-117.104 122.608 173.691 0.000 0.000 132.229 -0.218 104.076 -81.041 92.680 16.515 116.203 -76.405 122.020-173.532 143.581 -88.542 126.490-117.189 148.681-141.505 96.184 16.161 150.440 -30.785 96.532 167.184 0.000 0.000 116.853 -5.160 139.256 -56.985 122.589-161.328 146.991 0.381 126.626 1.417 139.650 -90.371 96.311 40.675 144.663-136.494 108.904 178.738 148.884-144.884 120.108 -9.468 0.000 0.000 94.723 169.627 139.233-100.056 121.477-174.754 137.756 -91.257 118.912-179.974 166.031 -69.592 122.079-178.690 154.292-106.716 126.818 175.493 0.000 0.000 113.366 0.000 143.390-129.553 # 82 total E -3.65197E+00 rmsd from N 0.000 %NC 0.00 115.928-124.441 140.885 -90.953 109.145 -3.739 0.000 0.000 122.740 106.052 157.203 12.186 92.992 67.576 116.301 -76.444 119.199 173.852 143.160 -89.449 126.155-176.000 151.529-131.488 114.058 173.682 152.620 -24.426 129.648 -10.360 0.000 0.000 117.710 172.160 147.601 -90.908 127.323 178.333 152.373 172.061 112.450 -7.405 135.000 -92.284 94.268-175.103 143.714-135.618 96.790 52.161 151.146 -30.568 95.209 62.280 0.000 0.000 119.960-111.064 150.600-102.440 115.302-179.033 135.832 -92.899 121.756-179.056 137.775 -91.996 119.603 94.469 154.315-108.902 135.646 -84.056 0.000 0.000 111.055 0.000 143.134-121.792 # 83 total E -3.55524E+00 rmsd from N 0.000 %NC 0.00 109.944 158.588 143.449-123.877 128.257 175.787 0.000 0.000 115.659-111.939 151.743 174.589 93.551 107.491 116.535 -76.372 121.482-176.149 143.404 -89.761 124.037-177.119 150.787-117.827 108.357 178.066 148.625-145.799 126.874 -7.773 0.000 0.000 122.453-111.124 149.599-106.556 116.516 -7.518 143.888 -6.058 95.160 63.464 131.105 -96.781 92.941 105.871 143.605-134.457 94.135 79.934 143.556-134.600 93.055 53.691 0.000 0.000 93.963 111.784 139.180 -97.963 119.060 175.555 165.949 -72.583 119.929 3.246 137.219 -92.004 125.439-170.500 154.638-104.090 95.134 127.995 0.000 0.000 112.736 0.000 141.496-121.808 # 84 total E -3.41758E+00 rmsd from N 0.000 %NC 0.00 109.744 15.214 143.541-124.763 119.317 -6.365 0.000 0.000 119.691 101.202 157.178 159.918 111.541 176.958 120.059 -78.052 118.193-179.543 168.616 -77.345 94.254 5.796 137.761-108.265 117.236 -68.536 153.085 -21.365 122.284-173.277 0.000 0.000 120.977-175.239 149.578-105.051 135.254 177.955 104.253 -83.009 116.623 76.344 135.801 -92.229 118.584 -21.217 153.395 -20.644 97.410 -61.381 145.146-137.227 96.062-175.444 0.000 0.000 94.812 8.285 136.869 -89.680 122.623-178.142 138.304 -91.854 122.904 3.333 137.951 -91.013 125.308-171.716 154.226 -94.958 113.881 168.704 0.000 0.000 115.385 0.000 141.670-143.137 # 85 total E -3.19444E+00 rmsd from N 0.000 %NC 0.00 117.755 -83.911 143.637 -97.293 139.538 1.492 0.000 0.000 121.989 -8.094 154.525 166.364 93.419 172.288 116.456 -76.361 125.812-174.925 144.811 -93.921 94.115 101.774 137.514-107.859 115.495 145.478 151.924 -21.026 94.419 57.946 0.000 0.000 114.931 -4.952 147.867 -81.548 126.028-179.554 152.547 172.085 114.947-100.980 135.769 -91.812 93.939 82.780 143.866-134.913 93.840 27.912 143.770-133.983 96.044 176.599 0.000 0.000 121.067-166.328 148.845 -96.791 121.676 -1.422 137.069 -91.793 120.825-179.828 137.379 -91.993 123.943-179.166 154.289-112.106 136.971 -84.240 0.000 0.000 111.071 0.000 143.126-121.742 # 86 total E -2.75547E+00 rmsd from N 0.000 %NC 0.00 109.548 17.581 143.522-125.691 119.504-174.141 0.000 0.000 123.073 -0.598 158.641 10.215 90.608 172.007 116.182 -76.263 118.866-178.945 168.620 -79.825 122.148-117.467 152.363-127.979 94.844 20.162 144.380-135.498 96.558 168.274 0.000 0.000 118.713 7.701 143.550 -57.416 123.773-177.843 151.461 179.019 119.167-177.373 165.999 -66.936 109.925 177.646 149.223-147.092 126.962 -74.814 113.106 -84.328 114.289 -16.440 0.000 0.000 116.314 168.971 148.284 -95.267 118.533 -0.426 166.059 -70.926 113.869-176.712 135.733 -94.429 123.433 15.520 154.316-113.899 96.170 169.915 0.000 0.000 108.366 0.000 137.911 -80.827 # 87 total E -2.22541E+00 rmsd from N 0.000 %NC 0.00 115.587 -57.743 142.904-102.348 128.029 -93.073 0.000 0.000 118.177 -3.475 154.426 171.030 93.819 174.695 116.550 -76.378 131.938-178.806 147.227 -90.939 118.301 11.997 151.594-117.840 93.879 61.436 144.066-134.646 94.703 76.393 0.000 0.000 117.496 -8.073 139.153 -66.845 121.031 177.801 147.487 -0.764 119.434-177.651 137.328 -92.360 132.285-175.487 113.830 -84.734 92.692 20.750 143.664-133.821 105.670 -96.820 0.000 0.000 120.344-178.343 149.164 -98.596 119.507-177.346 166.108 -69.493 95.480 101.895 130.702 -95.840 122.234 179.562 154.016-108.176 136.518 -82.423 0.000 0.000 111.056 0.000 143.088-122.113 # 88 total E -2.00757E+00 rmsd from N 0.000 %NC 0.00 109.783 157.494 143.310-123.847 130.313 176.042 0.000 0.000 112.880-170.306 119.564 -46.120 112.087 174.438 145.405 -85.205 93.861 6.108 142.470 -73.541 124.000-171.904 150.996-125.543 96.410 29.096 150.528 -30.808 115.257-175.449 0.000 0.000 119.431-174.057 148.737-106.183 116.620 141.086 143.951 -6.585 118.672 -12.709 166.146 -72.506 115.266 24.086 112.475 -83.799 109.323-173.167 149.285-145.067 107.170 -5.139 0.000 0.000 109.040 171.863 146.600 -93.439 121.798-175.714 138.106 -92.405 119.634-174.779 136.845 -91.545 116.547 10.893 154.354-109.471 115.806-164.677 0.000 0.000 113.159 0.000 144.828-133.354 # 89 total E -1.71271E+00 rmsd from N 0.000 %NC 0.00 109.614 17.756 143.583-124.236 124.046-173.598 0.000 0.000 94.891 98.492 148.149-146.910 115.365-179.583 147.076 -70.247 117.278-167.761 168.482 -75.127 121.207 101.860 150.874-111.197 94.136 42.874 143.978-134.638 122.878 -11.522 0.000 0.000 123.590 135.624 148.614 -98.423 123.009 5.063 152.624 175.106 120.008-174.420 136.926 -92.301 110.158 173.333 149.289-146.231 123.168 18.225 112.980 -84.091 120.829 -11.276 0.000 0.000 119.235 174.029 148.904 -98.146 121.441-176.669 138.289 -92.237 95.956 101.887 131.114 -96.275 121.541 178.157 154.201-107.887 136.910 -79.289 0.000 0.000 110.914 0.000 142.886-120.972 # 90 total E -1.23669E+00 rmsd from N 0.000 %NC 0.00 93.350 113.512 140.679-117.526 128.668 176.063 0.000 0.000 117.646-179.288 153.917 170.081 116.231-179.989 146.543 -73.892 123.305-176.489 144.495 -89.292 119.372 114.869 151.384-119.512 129.481 176.412 113.321 -84.530 125.732 174.309 0.000 0.000 122.287 -4.524 141.354 -59.989 119.912-177.908 147.972 -0.719 119.358-176.264 166.201 -71.785 113.818-168.206 153.221 -21.942 94.021 27.365 144.089-135.177 114.216-176.385 0.000 0.000 94.929 175.537 138.768 -97.120 125.586-177.869 138.979 -91.057 113.264 2.485 135.284 -93.237 125.312-171.920 154.221 -94.804 113.707 168.647 0.000 0.000 115.326 0.000 141.726-142.855 # 91 total E -1.06736E+00 rmsd from N 0.000 %NC 0.00 117.122-109.483 143.673-116.891 113.530 -5.140 0.000 0.000 98.186 153.266 167.310 19.761 114.013-179.811 145.775 -83.528 117.424-177.839 168.437 -74.363 124.471-177.768 150.882-122.747 113.956 173.898 152.611 -24.497 129.188 -9.964 0.000 0.000 117.749 171.371 147.640 -91.396 125.950 179.945 151.955 172.512 122.360-179.999 137.836 -90.058 119.277 -0.936 112.679 -84.022 124.357-101.913 113.286 -84.113 95.093 24.508 0.000 0.000 113.750 159.158 147.721 -95.054 93.768 161.996 141.949 -74.233 115.259 -5.932 135.750 -92.815 122.881 -68.701 154.248-107.781 126.526 -19.717 0.000 0.000 110.187 0.000 142.950-120.873 # 92 total E -1.04877E+00 rmsd from N 0.000 %NC 0.00 109.863 157.988 143.395-124.330 129.995 175.467 0.000 0.000 125.843 174.736 156.253 7.682 109.787 174.848 143.343 -79.665 127.197-177.715 145.729 -88.290 93.342 67.585 137.263-106.471 105.874-179.070 147.711-143.114 123.329 -7.609 0.000 0.000 116.600 175.571 147.137 -89.115 126.005-118.003 150.846 175.964 120.277-173.710 137.390 -92.295 109.792 176.076 149.173-146.772 114.566 170.854 152.574 -23.021 122.333 35.487 0.000 0.000 119.413 -6.854 148.950 -98.230 119.992-179.779 137.197 -92.016 125.043-176.900 138.930 -91.130 119.759 95.514 154.322-108.715 135.619 -83.908 0.000 0.000 111.050 0.000 143.118-121.742 # 93 total E -7.76490E-01 rmsd from N 0.000 %NC 0.00 109.751 13.652 143.423-125.025 117.921 -9.999 0.000 0.000 119.549 175.715 100.019 -75.983 95.071 15.152 116.706 -76.573 119.330 -7.016 168.559 -71.416 120.352-123.509 152.711-121.607 94.692 22.160 144.074-135.442 96.427 168.812 0.000 0.000 114.479 100.856 140.882 -73.703 95.595 109.380 138.654-137.027 119.296-177.562 165.915 -74.723 106.948 179.081 147.740-144.739 119.806 15.038 112.761 -83.925 95.130 109.400 0.000 0.000 117.265 -0.907 150.561-100.034 93.525 167.205 141.968 -74.181 119.372 -5.793 166.237 -72.659 122.654 -69.007 154.301-108.252 126.438 -19.392 0.000 0.000 110.187 0.000 142.946-120.824 # 94 total E 5.69230E-01 rmsd from N 0.000 %NC 0.00 109.444 17.496 143.381-125.410 127.571-173.479 0.000 0.000 125.930-177.819 101.441 -77.025 93.731 11.847 116.499 -76.440 118.050-172.164 168.509 -75.309 97.320 178.257 137.945-104.996 104.851 177.707 148.210-139.723 118.856 -2.894 0.000 0.000 113.921 168.138 147.064-106.439 94.694 90.702 130.674 -25.102 118.906 177.575 166.038 -69.184 117.417 177.717 153.151 -21.329 116.727 172.530 153.065 -21.707 132.675 175.629 0.000 0.000 123.916-176.064 150.025-103.434 118.879 -1.999 166.043 -69.326 118.735-178.086 166.067 -70.465 122.068 93.421 154.330-112.163 135.426 -83.761 0.000 0.000 111.044 0.000 143.119-121.754 # 95 total E 6.36122E-01 rmsd from N 0.000 %NC 0.00 117.457-103.123 144.291-123.245 118.779 -6.115 0.000 0.000 115.154 178.260 154.389 171.015 114.681-179.429 145.829 -73.079 122.323-175.062 144.171 -89.083 123.356-177.782 150.715-121.516 108.633 179.012 148.767-146.246 121.359 -4.605 0.000 0.000 115.979 170.058 146.497 -92.268 123.404 -0.452 150.988 177.306 117.700 -6.824 136.033 -92.880 120.499 95.831 112.714 -84.073 108.412 177.157 148.600-146.065 121.389 -3.582 0.000 0.000 94.532 161.066 139.098 -98.305 116.641 -0.393 135.824 -92.222 122.633-177.998 137.930 -91.584 124.286-177.802 154.268-106.557 126.056 174.343 0.000 0.000 113.494 0.000 143.351-130.622 # 96 total E 7.38760E-01 rmsd from N 0.000 %NC 0.00 109.804 14.914 143.673-126.175 119.431 -8.356 0.000 0.000 124.054-179.802 157.153 9.723 115.401-115.601 146.087 -80.853 117.809-118.191 168.512 -72.977 119.156 113.391 151.867-114.786 111.201 173.766 149.648-147.529 128.999 171.578 0.000 0.000 94.191 103.889 138.728 -96.067 137.481-171.966 107.279 -87.720 118.391-172.487 165.841 -69.095 115.728 179.165 153.461 -25.066 114.571 13.437 152.749 -22.757 95.555 64.798 0.000 0.000 120.468-175.404 151.418-112.602 96.645 113.635 131.140 -95.954 118.944 174.664 166.088 -69.824 120.180 97.217 154.325-104.539 135.755 -84.074 0.000 0.000 111.085 0.000 143.136-122.101 # 97 total E 8.47643E-01 rmsd from N 0.000 %NC 0.00 109.747 157.135 143.269-123.572 130.232 176.320 0.000 0.000 123.733-154.527 100.657 -72.667 110.913-176.483 143.732 -79.406 122.913-177.132 143.415 -90.272 94.344-108.766 139.996-110.400 96.225 19.223 150.497 -30.680 97.064 171.550 0.000 0.000 113.087 -2.433 140.207 -63.611 130.688 -1.023 105.492 -84.933 112.996-176.079 135.022 -93.536 112.104 176.130 149.901-148.153 114.176 177.699 152.635 -23.134 120.625 -3.650 0.000 0.000 115.732 178.748 148.108 -96.060 124.421-176.015 138.674 -91.335 116.038 4.400 136.036 -92.714 124.764-174.863 154.240-107.898 134.669 -83.208 0.000 0.000 111.039 0.000 143.112-121.808 # 98 total E 6.44842E+00 rmsd from N 0.000 %NC 0.00 115.226-132.093 137.205 -67.590 94.151 49.711 0.000 0.000 93.949 107.180 115.996 -45.512 114.097 176.979 120.074 -78.868 123.480-174.854 144.173 -90.408 122.996-179.032 150.728-125.407 108.926 12.951 151.992 -25.437 114.241-173.074 0.000 0.000 118.432-177.684 147.157 -87.217 126.209 109.544 153.473 175.925 95.822 101.898 131.830 -93.707 117.413 -7.984 153.199 -21.477 122.058 51.931 112.859 -84.012 134.027 -92.833 0.000 0.000 113.385 -1.810 147.610 -94.608 111.368-177.796 134.826 -93.720 125.942 0.246 138.449 -90.083 125.106-176.019 154.388-113.367 134.953 -83.927 0.000 0.000 111.050 0.000 143.113-121.734 # 99 total E 7.02252E+00 rmsd from N 0.000 %NC 0.00 110.721 -0.114 143.606-125.678 127.071 66.574 0.000 0.000 115.318-112.679 117.538 -45.412 113.127-113.502 119.669 -78.580 120.880 -2.063 142.381 -88.474 121.230 172.591 151.362-115.279 122.212 19.285 112.925 -83.857 122.086-173.194 0.000 0.000 119.270 -90.509 148.857 -92.839 119.675 78.645 151.759-179.129 93.491 100.500 141.904 -74.198 128.976 160.588 113.352 -84.665 115.988 75.370 152.938 -21.982 125.610 -6.857 0.000 0.000 121.737 178.481 149.508 -99.909 122.308-179.392 138.003 -91.598 119.020 -0.719 166.052 -69.492 126.482-175.965 154.262-108.115 132.518-109.320 0.000 0.000 111.358 0.000 144.551-122.950 # 100 total E 8.20597E+00 rmsd from N 0.000 %NC 0.00 116.987 -73.518 143.369-104.290 129.078 -84.525 0.000 0.000 119.801 -4.431 99.942 -79.008 93.015 173.417 116.340 -76.467 128.414 117.203 145.443 -92.739 93.579 100.092 137.212-105.296 130.575 176.869 113.332 -84.836 124.442 173.004 0.000 0.000 118.809 1.082 148.716 -83.353 119.840 -1.101 151.390-178.829 115.136 178.887 135.330 -93.626 128.468 -1.845 113.433 -84.555 95.967 174.922 144.675-135.801 94.975 51.362 0.000 0.000 118.178 158.720 147.277 -96.697 125.847 -7.960 139.049 -90.739 95.106 6.517 130.851 -96.379 123.620-114.766 154.242-107.816 130.812 -86.075 0.000 0.000 112.814 0.000 142.859-137.246