jlee = 1 nbank = 200 nstep = 200 258188 0 4436.80500 # 1 total E -1.31137E+02 rmsd from N 0.000 %NC 0.00 122.667 -91.034 150.590 -74.654 95.289 -45.605 114.619 -80.473 90.296 -47.679 103.782 -77.806 89.798 -48.971 129.206 -75.971 92.239 -38.612 131.192-113.244 93.845 -40.905 63.328 -52.183 91.062 -42.509 127.514 56.635 97.122 -39.288 146.286-112.141 91.324 -67.880 115.274-105.668 82.142 -73.324 79.113 -73.971 90.434 -68.503 152.385-153.642 95.033 -39.394 94.852-113.178 93.877 110.517 133.645-151.574 91.536 59.821 160.057-123.033 92.825 39.951 114.765 -83.791 94.543 41.904 140.208-105.178 100.389 -13.672 129.351 -84.815 129.289 171.407 128.949 -79.362 140.918 165.894 135.480 108.649 101.762 -24.868 144.982-134.466 104.009-116.964 0.000 0.000 93.011 46.487 124.927 -95.128 91.841 58.187 160.888 152.342 86.266 56.570 104.983-146.065 88.275 53.531 105.915 -70.486 91.008 53.472 146.748 -20.348 92.990 23.633 137.537-153.025 98.819 125.230 152.401 -21.551 141.628 -91.145 176.438 -2.757 122.386 -89.344 110.959-108.840 93.322 57.014 113.187 -76.533 93.542 39.355 102.311 -60.321 92.677 52.026 119.263 -75.345 91.111 47.421 129.267 -77.466 91.232 110.786 101.824 -83.603 120.244 -77.064 128.631 -80.744 92.049 68.383 127.916 -84.410 91.800 36.403 129.662 -76.817 91.756 66.496 112.937-123.836 92.015-122.804 127.777 -76.311 95.106 111.541 140.068-119.155 94.629 43.034 123.957 -20.482 105.424-171.564 149.346 -38.245 98.527 41.724 138.068-144.051 119.345 91.035 106.495 -78.533 120.764 0.000 149.999 -84.130 # 2 total E -1.30070E+02 rmsd from N 0.000 %NC 0.00 92.859 128.034 135.649 -88.827 133.827 8.221 134.528 79.640 106.954 29.332 144.988 -21.589 92.838 49.332 131.652 -76.997 91.610 41.899 147.950-141.650 91.498 48.229 119.935 156.329 88.323 49.898 117.333 -32.380 89.665 44.316 131.370-100.006 91.194 54.442 144.030 165.518 89.039 79.363 83.891-109.137 92.154 -76.150 119.856 -92.084 104.373 -48.580 126.036-142.367 97.008 -52.350 147.485 -26.292 109.327-151.497 162.325 -23.821 107.900-130.662 131.642-154.678 98.010 37.439 141.103 165.583 91.966 49.600 134.298 -86.129 90.330 61.245 139.816 -75.676 91.389 55.600 108.485 -51.198 92.675 28.519 106.563 -82.108 92.930 70.132 0.000 0.000 95.988 32.560 96.864 -87.937 94.276-144.545 174.250 164.545 93.511 41.497 104.496 175.020 101.764-159.138 109.613 -76.430 114.270-175.589 162.083 176.712 111.829 -16.215 143.030-108.175 95.866 -41.388 156.897 -20.633 101.476 -36.614 115.470 -85.742 101.868 -27.269 104.837 -93.460 100.178 -34.158 113.802 -79.736 95.914 -42.234 131.081 -93.638 92.073 -46.967 113.092 -73.130 93.752-109.163 130.473 -77.152 86.952 59.683 140.944-113.303 90.764 47.500 124.231-124.722 89.098 56.078 146.956-146.194 89.547 42.112 128.277 -76.807 92.314 107.797 105.077 -98.475 106.844-128.857 133.051-100.011 93.151 50.898 141.122-107.489 92.115 45.623 126.284 -34.601 91.523 55.139 148.612 -34.150 89.712 43.121 139.538-145.988 95.174 117.915 146.603 -24.269 124.395 0.000 144.217 -92.951 # 3 total E -1.23460E+02 rmsd from N 0.000 %NC 0.00 116.682 130.978 150.441 -66.283 93.891 53.150 137.992 -72.966 97.175 42.918 104.610 -80.108 93.316 57.185 129.238 -76.313 94.773 43.551 86.374 -70.965 111.714-137.285 151.353 2.609 95.379 29.714 94.116 -72.671 105.317-174.095 116.695 -53.744 113.723 108.326 160.590 -4.780 85.181 106.453 99.030 -76.670 93.458 55.339 147.077-119.890 91.074 42.081 104.782-127.202 92.443 46.108 97.348 -83.055 90.282 51.403 130.526 -55.024 91.611 45.634 97.082 -94.420 91.233 41.995 143.240-156.912 93.362 58.578 118.193 -81.200 94.873 -39.661 116.152 -76.098 137.504-123.807 128.689 -72.579 93.988 54.073 109.882 -80.997 93.180 131.192 0.000 0.000 104.190 -30.186 106.655 -87.887 91.212 -55.585 142.284 -93.698 92.906 -43.941 119.951-149.762 91.769 -59.664 112.027 -72.856 91.529 162.581 148.172 -43.146 95.252 60.067 131.584 -21.410 108.906 -89.434 106.367 -88.545 109.530 -99.522 118.952 -79.974 95.294 49.756 99.298-100.507 93.835 52.015 117.287 -79.698 91.576 65.612 145.059-165.875 91.211 179.288 114.919 -76.989 92.298 58.055 128.266 -75.664 91.996 42.277 95.599 -78.007 96.654 109.676 140.607 -19.689 79.193 -81.664 150.037-172.473 91.027 -38.010 152.931-101.818 95.294-121.606 117.924-130.475 90.513 53.752 159.585 -90.972 92.128 44.884 140.457-103.154 90.441 47.003 122.548 -15.385 91.251 64.327 145.223 -42.186 87.174 45.196 137.796-144.604 94.249 93.740 142.749-121.115 92.500 0.000 128.883 -76.283 # 4 total E -1.22874E+02 rmsd from N 0.000 %NC 0.00 93.350 -95.638 129.080 -79.321 104.561 -30.249 149.663 -21.670 94.758 -64.719 108.805 -77.152 97.581-173.386 128.272 -76.276 97.189 49.454 136.514-123.726 94.815 33.271 84.587 -89.994 99.185 108.505 110.027 -53.403 128.896-112.492 140.430 -76.796 96.176 44.940 118.914 -70.453 97.949 33.083 131.136 -98.402 107.823 21.459 141.914-163.967 99.624 36.289 93.754-117.005 97.704 35.223 129.322-105.935 94.143 46.574 133.275-104.286 93.955 38.314 107.297 -90.026 94.431 42.928 131.138-108.769 94.691 36.234 122.199 -80.251 101.644 169.459 120.271 -84.278 94.575 57.292 92.570 86.216 98.807 -12.211 148.159 -27.320 135.482-166.349 0.000 0.000 92.299 58.893 121.031 -80.376 89.502 48.109 168.675-151.042 90.582 45.218 107.704-139.009 90.158 50.286 111.752 -71.663 91.277 39.209 152.730-113.763 94.548 56.796 132.033-144.097 95.668 -45.569 108.683 -90.487 125.896 78.971 127.968 -86.620 121.183-174.602 116.538-119.706 106.563 157.569 134.965 151.307 147.447 -70.729 113.967-140.956 122.076 78.589 110.636 -79.776 148.171 -10.441 129.966 -75.853 100.106 -26.642 107.818 -91.023 92.180 -53.885 99.438 -65.066 86.861 -47.580 147.935 -24.685 91.612 -56.697 129.009 -75.992 88.527 109.273 105.256-121.161 95.716 43.155 129.324 -77.073 94.276 41.916 144.790-113.507 92.133 47.732 135.363 -47.685 91.965 45.596 121.968-119.485 97.082-103.072 131.311-137.541 119.974-171.157 109.395 -78.969 126.225 0.000 147.216 -87.950 # 5 total E -1.22599E+02 rmsd from N 0.000 %NC 0.00 118.409 120.791 146.499 -38.467 93.175 59.836 157.852-152.655 95.900 41.179 143.275 -46.428 94.906 37.362 129.369 -75.494 97.677 39.498 163.000-179.009 97.680 38.361 68.686-108.834 93.805 38.657 107.857 -59.245 94.101 90.209 122.676 -74.343 86.495 -78.199 118.515 -99.564 88.732 -71.597 131.683 -36.122 90.825 57.150 127.315 146.206 128.015 -72.240 107.351-105.912 101.357-155.373 150.479-171.795 134.507-165.393 169.951 -2.096 116.076 11.781 141.192-164.240 97.084 56.406 130.300-114.875 95.275 24.115 157.557 -67.677 100.784 134.614 163.433-172.704 93.716 73.293 105.423-173.303 96.825 -9.495 103.490 -82.741 112.618 179.148 0.000 0.000 129.905 -89.099 157.116 1.762 93.254 42.199 167.737-145.582 90.551 52.062 107.079-137.081 88.486 60.302 105.041 -73.287 89.367 53.100 137.430 -48.050 91.840 30.844 139.111-136.326 98.999 145.434 111.684 -85.530 146.317 -90.963 126.538 -90.375 99.041 -45.286 96.872 -97.154 94.316-131.111 113.749 -75.141 92.322 45.245 131.243 -24.144 97.371 39.081 112.708 -76.580 114.023 13.173 145.248 -82.557 97.386 44.289 143.733-154.915 92.922 49.496 156.659 -18.267 88.971 48.820 155.916-154.257 89.709 39.987 127.983 -76.327 90.870 50.841 126.188 -47.871 89.175 48.884 130.208 -76.581 89.869 43.582 138.279-128.871 91.214 47.713 127.374 -36.986 90.228 47.813 138.773 -85.743 95.921-112.890 131.244-123.565 117.066 -1.160 110.224 -80.494 92.491 0.000 129.307 -76.210 # 6 total E -1.22394E+02 rmsd from N 0.000 %NC 0.00 92.478 130.245 127.365 -56.807 94.470 49.057 138.963 49.454 93.599 46.235 143.634-128.931 91.907 46.924 128.020 -74.051 94.847-159.892 151.622 -14.027 96.723 -47.339 83.677 -64.901 92.703 -38.874 124.936 -54.932 100.094 -40.121 121.012 -77.421 90.987 -49.619 134.064 -85.737 92.040 -27.304 102.470 -86.855 107.089 -53.109 140.772-121.203 99.428 -51.087 86.349 -85.612 87.610 -49.761 133.466-121.456 136.321-144.581 176.439-167.675 96.436 45.797 131.483-148.833 97.675 -94.858 112.306-126.238 97.003 -16.735 137.415 -83.087 99.809 122.291 158.207 6.232 99.403 32.422 92.585-155.252 100.694-115.672 146.281 -21.407 143.022-103.236 0.000 0.000 116.240-129.509 163.646 155.148 131.104-139.193 130.788-111.547 95.822 49.440 114.599-151.379 96.080 38.136 111.514 -76.613 91.953 50.877 163.529-165.675 93.901 42.185 132.515-177.251 93.790 39.995 112.915 -88.424 97.725 48.343 115.721 -75.522 104.116-113.201 101.736 -84.360 106.681 -37.033 112.612 -80.542 94.030 -40.533 132.324 -97.652 95.621-136.611 132.298 24.694 95.416 -43.676 128.508 -77.235 94.268 -35.082 100.806 -80.383 92.239 -45.380 130.514 -29.843 89.970 -60.027 147.467 -49.924 89.925 -36.309 129.668 -77.959 92.987 -64.439 130.737 23.799 93.765 27.470 130.855 -76.810 123.111 82.182 144.070-143.327 95.293 45.723 125.356 -26.764 93.239 55.267 152.729 -35.456 90.020 43.630 151.064-157.022 94.821 115.755 104.030 -81.357 124.704 0.000 144.310 -93.072 # 7 total E -1.22361E+02 rmsd from N 0.000 %NC 0.00 93.297 -74.945 131.154 -89.495 94.356 -46.619 124.761 -80.879 90.647 -50.076 103.165 -77.930 90.187 -50.717 128.090 -75.129 92.460 -35.657 145.105-153.205 96.857 -47.848 68.637 -89.196 95.967-111.976 95.469 -39.905 105.925-126.291 162.109 -53.610 109.524 177.977 128.699-113.627 145.104-120.373 150.163 143.392 126.293-110.078 131.699-145.305 91.203 55.734 96.522-123.138 93.665 47.050 98.541 -80.722 101.608 -93.396 143.143 -37.856 119.111-149.553 149.848 -50.678 138.256 54.252 137.478 155.204 103.448 -73.961 140.189 -85.750 104.859 134.416 145.090 72.340 134.566 36.010 98.478-128.163 103.767 -40.686 102.576 -83.556 97.023 -36.159 0.000 0.000 96.399 -37.685 115.290 -82.739 96.888 -49.667 162.206-152.890 88.374 -61.377 90.290-111.383 83.329 -65.444 110.623 -71.127 95.406 -20.991 176.406-168.078 101.838 -52.403 130.167-143.190 96.812 10.652 113.641 -90.466 130.332-176.675 174.949-171.611 129.257 -78.432 109.383-105.951 95.047 -92.865 110.158 -77.166 91.537 67.981 88.810 45.961 97.932-136.671 111.771 -70.889 134.122 62.697 150.117 -85.711 101.827 153.598 151.136 -17.808 91.684 62.584 109.939-150.501 92.974 40.891 116.077 -96.953 95.018-160.534 129.919 -76.425 91.806 174.572 115.327 164.006 94.254 -50.125 128.758 -76.976 92.157 -43.317 143.325-111.535 92.098 -43.502 132.547 36.115 93.180 -50.856 155.095-113.698 92.181 -41.994 127.072-160.232 98.182 102.843 103.750 -79.116 92.462 0.000 129.174 -76.069 # 8 total E -1.22279E+02 rmsd from N 0.000 %NC 0.00 93.122 -64.721 127.191 -77.533 94.511 -48.385 115.810 -87.611 90.968 -47.714 105.558 -78.259 91.029 -53.403 128.263 -76.068 88.399 128.683 132.968-118.157 96.569 51.670 139.763 159.126 91.241 47.220 115.153 -0.670 92.171 41.069 140.767 -82.091 95.929-135.578 149.911-142.631 93.466 101.876 105.606 177.663 123.696-177.183 136.857-132.158 123.979 -1.441 123.734-132.441 99.289-134.120 138.173-157.939 111.556 23.452 142.256-172.281 95.164 54.006 150.340 -34.786 95.135 11.445 136.943-105.240 114.901 -7.287 146.220 -52.400 148.408-167.857 103.481 -32.162 109.552 161.848 140.190 139.348 138.677 -69.829 116.392 -80.089 98.039 43.424 0.000 0.000 92.228 47.657 117.968 -77.808 91.076 47.397 137.113 -85.027 90.247 42.108 120.538-125.618 92.412 65.279 112.931 -76.607 91.799 -64.245 144.670-112.146 121.028 -71.275 125.036-154.472 95.345 -0.033 112.490 -89.205 111.791-140.842 166.763-154.301 133.927 -89.918 111.668-107.455 97.254-104.007 110.121 -76.698 116.077 1.849 118.681 16.289 95.664 67.052 126.941 32.807 92.801 37.660 128.048 -75.697 94.188 52.879 136.185-152.095 91.796 140.496 123.142-167.369 109.028 -28.642 106.980-124.915 92.072 -48.721 129.243 -75.715 94.472 -50.044 132.032 -98.635 92.007 118.633 131.975 -78.599 93.749 47.769 143.107-140.439 93.288 73.509 148.025-124.981 90.849 -90.119 144.619 -48.664 97.997 -46.584 109.568 -83.794 109.432-148.569 147.469 -17.346 122.504 0.000 147.538 -78.482 # 9 total E -1.22136E+02 rmsd from N 0.000 %NC 0.00 92.625 44.756 137.362-107.638 104.149-123.099 135.349-153.595 99.852 30.741 138.344-127.970 91.721 54.604 130.623 -76.379 90.587 40.717 149.765-151.789 93.389 52.393 119.699-173.837 89.206 39.286 111.247 -61.189 95.501-123.765 116.594 -76.951 94.446 148.215 103.007 16.286 138.193 121.848 152.513 -0.974 131.818 -16.040 155.749-166.601 119.070 -4.219 115.566-119.033 90.441 90.270 142.432 -41.048 92.382 -19.323 121.774-103.830 106.469 -98.164 141.249-158.835 96.099 -47.149 134.778 -94.616 104.385-112.452 139.534 63.762 128.645 -92.777 142.976 -33.654 96.666 49.903 137.899-113.066 113.850 179.177 112.620 -77.359 108.807 173.284 0.000 0.000 121.958 74.986 108.201 -82.993 89.620 -59.596 129.420 -74.127 93.100 -36.411 123.992-126.788 94.375 -45.389 112.395 -72.690 92.104 -37.944 155.105-144.695 94.642 -49.701 134.511-131.694 90.680 -43.502 154.745 -20.959 92.690-142.544 112.135 -76.855 93.734 -53.913 95.987-108.619 89.555 -44.372 110.688 -76.715 91.933 -62.604 105.261 -56.137 87.328 114.719 116.934 -74.165 92.351 48.493 128.550 -76.500 89.519 50.606 118.803 -86.941 89.696 43.516 135.989 -40.236 91.672 43.840 131.444 -83.482 91.685 47.466 128.407 -76.941 90.785 60.891 114.026 -89.032 90.594-114.712 128.811 -77.343 96.129 -29.213 139.967-109.701 101.422-131.321 117.897 28.964 109.037 -95.159 148.480 -39.312 95.498-162.355 112.144 -79.737 127.147-116.981 163.153 177.271 128.877 0.000 143.717 -97.585 # 10 total E -1.22082E+02 rmsd from N 0.000 %NC 0.00 92.599 58.909 136.773-100.726 134.139-154.798 133.437 -20.969 97.337 -85.624 105.449 -74.972 122.793 -64.346 152.304 -89.822 140.486 -51.772 161.995 155.927 110.707 -3.081 80.320 -84.405 92.639 93.904 101.736 -47.375 96.126 -6.990 128.808 -83.401 95.949 -89.364 143.534 -99.744 94.579-156.183 101.959 143.546 106.385 147.607 133.754-137.387 95.746 50.153 123.859-146.547 93.065 42.698 100.924 -81.556 92.602 48.813 144.233 -41.605 91.488 46.803 127.938-115.531 92.451 43.836 125.855-123.379 98.650-145.338 122.404 -83.765 109.954-172.464 142.233 20.785 118.163 -16.539 153.376-158.122 95.822 -49.738 144.206 -37.801 98.507 -40.406 0.000 0.000 94.758 79.868 144.740 -22.873 134.495 154.568 126.677 -94.443 103.029 40.493 103.848-141.960 93.525 53.849 118.417 -77.832 91.241 47.587 158.299-132.649 91.691 48.844 121.484 150.700 93.807-106.595 141.230-120.198 116.984 176.878 152.671 -15.913 128.147-157.096 115.341-115.780 112.994 -25.458 137.544-143.239 120.144 121.396 113.942 38.812 126.476 45.861 117.680 -78.844 94.994 -65.259 128.193 -75.367 94.731 -14.629 97.031 -84.858 102.593-134.528 107.852 -46.067 103.190 -88.101 154.166 -33.090 117.693-131.386 145.272 -94.954 115.861-107.910 123.178 150.227 93.414 50.098 130.758 -77.111 92.950 47.035 140.726-107.498 93.759 72.764 120.425 -31.998 93.638 -84.385 139.804 -94.084 98.511 -45.289 124.544-136.607 109.030-167.304 151.653-138.661 123.927 0.000 147.775 -82.246 # 11 total E -1.20064E+02 rmsd from N 0.000 %NC 0.00 93.183 -73.591 123.490 -62.379 124.912-101.139 125.671 -33.648 94.215 38.598 140.453 -58.528 94.027 48.829 131.464 -77.673 97.246 38.303 154.790-142.313 92.714 44.390 54.739 -84.477 90.262 44.471 120.710 -41.939 89.989 48.213 132.001 -94.928 88.449 46.462 130.801-113.979 89.083 43.359 85.570 -99.821 93.495 42.889 136.131 -91.086 96.698 39.949 97.983 -95.907 90.744 63.559 138.071-122.522 91.960-110.805 113.728-125.758 100.413 129.062 151.680 -26.989 129.851-157.115 146.007-121.450 111.638 172.989 148.813 28.301 132.518 9.524 135.334 -89.399 99.182 -73.240 91.604 -92.044 93.639 12.276 146.195 -27.699 111.103 -50.036 0.000 0.000 132.600 -73.028 165.465 144.761 98.460 51.676 126.953 -94.047 99.586-103.723 117.107-117.067 96.477-127.955 114.372 -75.037 131.158-132.390 161.183-166.604 95.231 31.889 138.754-127.953 103.193 176.613 106.912 -82.954 98.583 51.283 152.092-126.877 120.195 83.266 117.757-125.539 139.667 -96.081 120.366 -85.344 92.532 135.909 105.916 3.641 90.331 -53.069 109.299 -74.588 91.366 -49.957 128.113 -75.729 91.296 -45.777 100.804 -83.264 118.435-164.817 169.192-150.848 139.780-103.066 176.445-163.208 93.743 25.175 134.516-102.494 97.724 167.144 89.120 -80.121 111.800 65.883 157.919 -97.538 93.608 22.407 140.574 -98.688 106.120-140.412 120.298 5.249 129.760-135.625 176.436-166.024 106.655 -48.592 98.832 -86.099 95.104 106.121 103.205 -78.291 121.770 0.000 145.387 -86.897 # 12 total E -1.19807E+02 rmsd from N 0.000 %NC 0.00 92.561 29.001 131.184 -84.904 93.543 -67.997 108.427 -86.165 92.597 -43.558 140.087 -30.677 94.716 -37.589 128.212 -76.031 100.805 -26.349 137.077-104.559 102.505 -28.411 131.494-148.812 99.452 -42.598 127.170 -47.939 102.459 -19.162 136.972 -76.440 97.978-175.423 147.773-102.730 90.410 85.907 100.260-166.335 90.807 32.239 118.638-143.969 113.191-103.668 115.397-123.251 97.147 134.377 139.109-144.933 136.112 170.467 132.906 -58.387 96.002 55.092 151.007 -5.646 99.376 -86.486 114.494 -93.625 126.022-157.170 147.022 42.800 95.871 35.713 122.374 -63.180 111.067-124.249 105.365 -86.417 94.398 46.746 143.851-132.591 108.652 -76.348 0.000 0.000 122.118 34.940 153.003 -6.368 145.405-168.200 128.004 -62.945 92.812 36.851 99.007 -58.420 118.599 75.521 111.222 -74.037 113.700 -22.373 164.839 -18.158 94.923 -73.511 143.867-150.219 93.232 -5.059 150.943 -21.085 110.842 99.692 149.742 -8.255 133.674 145.315 107.682-101.640 158.378 54.399 143.444 -89.217 117.708 98.054 144.051 167.315 97.005-112.632 113.249 -73.310 90.490 72.196 129.991 -75.106 91.878 42.451 134.783-131.636 91.865 41.181 131.282 -90.576 90.916 53.746 138.945-104.788 88.954 55.960 125.617-118.576 88.226 55.966 91.103 -78.958 93.294 167.248 127.504 -75.627 93.578 47.987 140.763-110.404 94.254 60.707 125.152 -29.296 93.667 -35.245 148.158 -36.805 133.748-111.993 113.409 -82.015 116.599-167.992 148.997 -17.102 126.529 0.000 146.612 -88.917 # 13 total E -1.18631E+02 rmsd from N 0.000 %NC 0.00 123.978-167.503 145.764 -54.608 124.633 151.172 141.896 -1.951 135.648 -73.108 151.170 -26.860 94.602 37.433 128.673 -75.746 99.612-106.242 107.466 -80.666 99.147 77.132 117.935 158.507 135.255 -7.976 149.031 -76.656 137.593 -56.833 162.412-123.834 133.988 13.613 142.501 -94.548 104.473 -36.254 89.075 -76.464 92.937-162.490 142.435 -25.280 95.015 78.350 129.011-154.462 91.020-177.018 136.418 -31.310 113.122 -58.467 142.950-161.156 108.423-128.728 137.906-153.057 93.416 49.590 146.840 142.046 92.956 51.612 135.229 -84.563 92.806 59.071 111.223 -29.183 148.991-163.191 146.454 -58.599 109.270 -11.352 107.081 -83.344 98.364 -45.777 0.000 0.000 92.928 -49.157 144.435-116.760 90.136 -44.973 147.403-105.280 90.141 -50.162 107.891-127.630 87.496 -54.698 124.274 -39.790 88.791 -46.646 160.409-150.861 91.842 -44.741 139.273 -57.545 93.935 -45.074 107.097 -86.131 97.285-173.119 153.550-116.828 128.991 164.186 114.795-116.130 104.595 22.674 135.914-177.340 94.520 120.759 135.395-103.857 98.907 -35.022 109.058 -74.840 93.442 -50.298 126.827 -75.217 93.466 -33.726 99.943 -79.365 93.704 -49.730 147.767 -41.490 88.879 -46.313 151.026-116.707 91.205 -48.463 128.060 -77.030 93.055-118.701 120.757 -3.318 90.383 52.473 152.656 -87.200 93.880 44.324 145.197-125.738 94.554 176.821 136.290 -67.510 130.918-166.804 165.683 0.559 106.544 -34.830 132.684-136.192 116.367 136.889 147.984 -18.468 92.580 0.000 129.505 -76.309 # 14 total E -1.18095E+02 rmsd from N 0.000 %NC 0.00 92.759 139.381 132.392 -77.088 122.961 119.628 116.712 60.397 91.835 -43.223 107.414 -76.937 91.721 -47.365 127.130 -74.992 89.917 -48.749 123.296 -26.401 91.081 -57.318 174.403-170.783 88.739 122.496 48.278 -90.631 94.295 41.344 151.113 29.540 90.847 45.334 134.673-129.670 94.293 35.095 83.655 -95.459 96.382 179.106 141.667 -88.168 96.564 75.588 130.293-156.005 114.361 138.922 104.719 -88.966 136.014 -66.022 176.419-164.620 97.451 -22.844 141.582-145.120 99.578 -86.164 119.893 -98.408 96.114 9.696 146.346 111.984 106.736 145.372 143.964 164.449 130.717 14.462 79.495-118.984 96.973 -45.883 105.716 -82.364 92.606 -42.669 0.000 0.000 90.590 -57.905 138.437 -30.454 86.454 -48.065 138.908 -72.153 90.136 -46.695 124.999-126.057 91.323 -44.661 110.144 -70.589 91.432 -52.717 146.578 -40.895 94.134 -21.221 137.354-135.887 109.228-148.855 146.373 -29.594 134.969 156.775 158.571 -10.524 104.262-127.627 91.659 -87.073 112.685 42.698 121.694 -79.601 96.450 112.570 133.285-118.992 95.452 -32.991 110.547 -72.502 93.620 -56.428 127.213 -75.284 91.306 -9.098 108.300 -79.301 114.290 -21.540 163.393 176.150 128.221-152.101 169.956-153.249 92.452 53.470 128.773-115.594 94.696 90.615 112.252-111.559 89.208 -74.238 129.853 -76.749 92.607 -43.225 143.097 -93.989 90.840 -48.216 131.357 -20.778 92.603 -45.710 155.276 170.265 95.629 112.780 124.551-166.114 120.775-103.554 150.946 -17.976 125.082 0.000 145.882 -85.258 # 15 total E -1.18013E+02 rmsd from N 0.000 %NC 0.00 123.485 -98.680 149.830 -63.026 94.676 -51.380 122.291 -79.763 91.685 -45.063 102.308 -78.330 90.960 -49.213 127.931 -75.084 90.636 -40.371 145.487-132.790 101.105-111.461 114.654-128.554 89.631 60.168 104.967 -14.100 99.689 28.303 105.886 -62.948 94.471 46.507 147.654 -25.404 103.783 24.831 73.280-103.233 94.808 45.126 146.318-160.178 101.565 17.135 85.752-106.619 98.143 57.905 144.391-139.048 90.025 54.745 125.694-121.650 90.392 42.670 133.417-130.955 95.359-135.890 132.903-101.325 128.179 47.957 129.600 75.242 109.487-158.194 147.323 60.993 103.316 -38.804 125.133-147.133 90.432 -57.099 104.353 -81.964 87.877 -49.851 0.000 0.000 92.206 -45.796 173.842-179.695 91.436 -41.818 135.339-101.191 92.861 -53.073 118.406-130.820 93.165 -54.482 142.921 -10.481 136.938-137.867 176.469-151.422 91.648 23.113 125.867-116.277 108.417 -60.989 106.566 -90.270 133.082 -88.329 169.880-173.842 102.348 132.026 98.825-105.248 95.835 -45.210 109.730 -79.256 91.020 -47.227 119.422 -29.097 88.324 -57.858 111.145 -79.330 89.536 -51.406 129.151 -76.615 87.258 -41.044 136.442 -9.861 103.795-130.081 141.797 -18.408 92.476-172.363 142.366 -95.663 94.283 60.819 131.151 -77.438 97.007 103.903 100.090-103.471 94.689 -23.212 130.334 -76.103 97.637 -66.555 139.762-112.905 92.790 6.407 125.054 -20.348 116.906 177.408 153.003 -8.634 128.081 -59.175 95.199 -77.760 134.005 -10.840 102.062 -82.704 92.532 0.000 129.277 -76.222 # 16 total E -1.17577E+02 rmsd from N 0.000 %NC 0.00 122.757-103.049 151.061 -80.653 122.349-108.612 128.496 -42.406 95.733 32.592 140.039 -54.726 94.705 53.141 127.740 -74.677 93.708 39.072 141.913 -25.797 95.715 42.905 71.191 -88.653 94.384 86.162 108.575 -59.167 123.735 -77.825 131.444 -87.621 91.389 71.653 137.832-129.207 92.428 43.531 130.828-113.059 95.153 66.366 122.486-129.631 96.489 -76.352 97.225-105.303 108.537-153.849 106.305 -82.963 144.037 50.983 176.308-176.937 95.014 36.352 144.419-175.205 94.654 53.764 140.517 -73.329 93.254 39.941 123.785 -42.975 93.860-142.522 138.901 -69.190 97.230 24.982 105.091 147.080 107.242 -76.039 141.352-134.188 126.378 174.078 0.000 0.000 94.709 120.817 134.845 -8.091 134.371 -73.924 127.796-102.359 90.774 56.238 114.026-134.972 92.233 32.665 111.482 -77.977 100.702 -95.942 141.161 -91.971 130.445 -73.988 130.959-162.650 130.958 -33.257 170.603-173.031 128.887 159.226 153.108 -6.232 124.574 -12.644 105.134-104.210 92.594 -48.890 111.985 -77.504 94.061 -38.805 122.841 -35.557 97.806 95.571 114.762 -77.370 121.895 50.246 148.795 -82.727 94.723 41.663 137.482-138.926 92.019 47.252 141.671 -27.664 90.971 45.322 139.739 -91.427 91.179 40.938 126.395-105.027 91.672 47.635 119.489 -65.728 91.302 45.429 128.100 -76.170 92.257 41.902 132.958-160.138 91.841 51.013 130.156 -46.699 91.089 43.508 134.246-109.563 96.428-124.845 146.280 -44.941 95.490 86.216 144.444-126.360 92.456 0.000 129.040 -76.307 # 17 total E -1.17421E+02 rmsd from N 0.000 %NC 0.00 92.715 57.195 139.606-111.480 95.724 -44.114 132.983 -93.425 103.198-101.560 139.075 -27.514 90.245 64.398 129.349 -75.251 92.123 54.596 153.618-148.985 92.369 21.496 117.582-148.852 107.824 119.186 106.292 31.270 94.760 -37.295 147.003 -82.741 94.737 -51.984 139.176-131.233 92.435 -45.271 118.975-163.412 124.572 150.935 143.028 129.060 97.945-129.464 95.418-101.516 118.702-155.775 111.670 -83.221 127.105-116.150 149.633-166.097 128.972 -83.521 157.408 -19.978 95.372 44.999 150.514 156.177 90.219 49.283 137.381 -43.756 90.015 61.291 145.174-122.163 87.637 53.088 130.849-147.744 90.106 36.640 140.811-128.032 95.734 160.671 0.000 0.000 134.633-118.991 164.382 10.157 96.170 40.327 142.547 -83.286 93.996 40.255 116.955-121.470 92.977 58.047 120.460 -80.599 93.193 -87.803 127.722-108.549 117.183 -65.223 131.306-154.857 97.572 31.536 147.056-137.190 125.991-169.629 152.907 -22.730 134.060 118.318 108.957 -99.204 99.810 24.042 116.750 -79.288 94.656 58.716 134.374-109.799 93.989 9.884 110.604 -74.485 119.949 178.478 141.715 -76.001 89.177 57.148 136.197-147.811 92.345 44.638 109.354 -64.277 95.053 178.537 146.741 -43.472 100.845 -35.075 137.036-100.025 100.314-117.614 131.397 37.921 91.198 49.545 130.738 -77.359 91.811 49.425 143.672 -91.485 89.664 47.738 129.976 -39.286 90.683 54.509 138.263 -56.079 89.480 43.659 142.038-137.830 94.753 113.487 104.303 -81.163 124.821 0.000 144.411 -93.349 # 18 total E -1.17376E+02 rmsd from N 0.000 %NC 0.00 93.144 -67.695 126.253 -73.289 97.805 -32.884 118.867 -81.958 94.166 -59.902 140.089 -38.281 91.490 51.423 130.103 -76.169 130.680-162.422 111.063 -85.620 155.149 -58.817 98.338-111.608 97.712 109.784 107.003 -26.575 109.867 -3.606 139.005 -79.280 103.775 -54.184 126.884 -83.238 97.946-141.103 121.280 -30.718 136.141 116.802 151.200-158.828 95.880 -7.675 96.242-125.464 105.933-139.712 143.323 -8.239 91.864 52.014 143.591 -82.703 95.127 41.189 136.113-147.338 94.307 40.788 145.506 -68.431 93.691 48.780 110.779 -72.442 94.875-178.722 116.828 -73.830 95.179 4.898 109.018 166.052 99.717 102.876 109.710 -80.449 137.238 50.200 0.000 0.000 125.878 8.845 175.593 158.687 105.502 -56.075 138.388-111.664 100.931 -18.116 120.034-167.063 107.243-132.818 115.079 -76.113 94.544 41.338 135.578-140.079 94.648 47.906 137.277 -89.803 95.196 29.144 145.849-135.820 109.966 7.711 116.335 -94.270 135.611-104.938 107.417 -95.496 111.321-115.572 114.006 -78.610 107.303 30.659 128.896 151.223 94.396 123.897 113.425 -74.457 92.667 -43.872 127.149 -75.425 93.323 -47.203 101.741 -78.167 94.429 -29.646 156.162-112.885 96.225 -57.433 128.919-121.790 89.717 -52.956 128.462 -77.291 85.843 -64.831 113.649 -49.751 89.367 -79.521 128.678 -76.080 89.638 -58.666 135.684 -59.900 92.125 108.565 129.456 -25.583 107.951 -23.527 137.973 -84.973 128.974 -83.601 105.843 -81.682 96.275-163.303 100.359 -75.964 125.179 0.000 145.534 -87.037 # 19 total E -1.17282E+02 rmsd from N 0.000 %NC 0.00 93.236 -86.427 125.570 -70.614 100.457 -27.919 135.118-114.665 98.971 -56.199 139.228-123.122 123.374 -96.549 134.898 -56.729 90.995 57.265 141.405 -18.935 95.044 30.013 118.384-119.086 98.153 111.047 104.121-113.901 134.483-170.527 161.192-148.514 95.303 48.655 109.463 -18.724 94.186 39.844 153.688 -4.377 93.594 61.680 147.376 176.359 89.429 68.100 97.088-127.297 85.853 133.600 100.623 -90.147 92.493 -37.133 133.319-118.656 100.106-126.054 115.483 -92.722 94.901 42.338 150.789 157.485 91.234 51.094 134.613 -81.362 90.633 49.640 80.335 -24.747 92.375 43.815 127.423 -52.702 94.229 34.728 141.879-134.779 106.798 21.670 0.000 0.000 97.024 49.417 131.400 -76.036 91.560 39.392 137.033 -93.178 91.184 46.913 125.902-133.444 93.789 84.747 107.557 -76.575 82.590 -87.400 147.055 -97.927 91.857 -39.470 133.940 -32.642 92.089 -67.816 141.220-112.042 92.289 94.678 134.651-127.178 100.303 60.298 93.517-131.751 133.426 -19.126 116.613 -82.343 101.054-145.999 96.978 -45.206 116.972-132.255 115.879 -75.716 132.463 -95.162 141.175-101.378 98.945 35.011 145.462 -27.578 95.468 107.719 114.452 -13.932 92.242 -55.375 140.315 -46.093 92.335 -72.007 129.286 -77.031 90.671-165.020 114.567 174.438 128.885 171.569 160.368 -87.541 96.934 0.806 140.066-114.460 104.582-123.420 121.524 9.188 94.027 64.603 144.787 -29.954 91.199 51.660 154.794 14.349 94.124 82.209 146.122 -25.611 92.337 0.000 129.284 -75.956 # 20 total E -1.17160E+02 rmsd from N 0.000 %NC 0.00 92.614 133.192 125.786 -65.435 122.200 56.236 153.083 -64.183 119.398 -17.484 108.298 -81.017 93.923 69.160 126.531 -73.640 90.466 91.488 169.936 5.025 92.176 54.880 108.955-149.664 90.351 42.559 126.183 -10.383 95.652 159.174 172.728-175.438 100.557 -30.832 121.938-167.191 92.854 -50.483 126.294 10.441 103.338-172.059 161.338 -27.310 99.778 -77.237 97.336 -97.232 107.999-136.507 105.165 -81.926 119.990-151.232 157.675-147.087 106.226 126.462 152.651 -29.329 127.186 -88.663 137.975-133.914 94.227 61.596 137.326 -83.066 93.995 141.847 128.419 -54.305 92.089 58.156 116.346 118.585 90.720 42.960 142.623-129.285 97.749-118.948 0.000 0.000 94.350 -68.154 125.751 -48.570 90.908 -17.359 146.232 -77.634 103.884-110.311 104.583-101.487 113.633-157.406 120.609 -78.654 144.824-158.889 163.752-159.313 129.080 50.571 131.774-153.196 96.577 -48.373 143.621-132.065 96.140 -40.873 120.587 -86.043 98.580 -48.534 98.985 -94.039 98.491 -28.026 111.927 -77.705 99.306 -44.895 129.316-109.719 95.469 -41.922 129.083 -18.240 112.571 119.067 142.614 -63.313 96.786 33.775 137.878 175.832 92.627 46.389 121.246 -11.177 91.252 51.833 144.333 -32.210 89.314 44.426 129.456 -77.589 90.143 52.100 111.874-117.002 91.222 40.607 126.850 -74.830 96.702-126.326 124.043 -82.144 92.175-175.991 139.212 -81.213 95.236 -58.927 149.844 -40.955 93.764 -53.528 139.555-125.408 98.578 165.212 102.802 -79.130 124.402 0.000 145.951 -85.158 # 21 total E -1.16912E+02 rmsd from N 0.000 %NC 0.00 93.135 -67.782 125.369 -72.622 94.358 -47.299 113.497 -61.496 93.980 -39.997 104.716 -78.613 94.010 -38.517 128.788 -76.661 96.223 -34.332 135.070-110.832 100.413 -33.055 67.023 -69.569 94.456 -41.868 113.482 -32.655 104.020 -44.654 153.127 -27.950 89.924 121.933 123.595 -67.372 94.760 33.059 136.695-163.487 106.305 44.533 160.231 -20.091 96.591 29.727 96.877 -99.037 95.382 68.581 147.389 -14.009 91.463 -77.691 124.736-120.682 121.663-165.172 141.575-167.755 94.259 45.956 127.513-130.977 94.529 53.260 139.291 -80.597 94.842-101.637 139.586 -75.267 126.028 145.724 110.310 -19.123 96.672-150.957 158.504 -35.106 111.232 -41.292 0.000 0.000 93.413-120.903 135.012 -16.326 86.048 56.665 143.656-100.842 92.704 47.228 130.634 178.004 95.002 108.016 111.600 -75.707 94.682 -23.324 154.502-126.478 96.278 -67.556 137.246-139.125 91.888 17.308 143.223-132.027 116.185 -87.873 163.912-145.209 115.006 -88.369 120.220-129.629 95.488 34.356 109.766 -81.547 107.434 -67.060 77.783 -86.229 122.497-110.395 112.910 -76.943 93.632 54.956 129.494 -76.304 92.081 33.422 138.325-138.282 98.754-169.191 135.071 -34.267 90.045 -93.427 146.105-145.102 90.071 -57.640 126.807 -75.623 91.406-101.213 120.624-178.616 89.366 64.999 163.566 -90.474 92.014 46.335 142.507-134.776 89.205 54.687 144.929 -93.795 89.041 60.570 144.928 -39.578 88.160 43.266 137.248-139.373 94.777 116.790 103.389 -80.469 123.202 0.000 145.170 -89.289 # 22 total E -1.16796E+02 rmsd from N 0.000 %NC 0.00 92.517 94.232 131.282 -72.512 95.800 45.759 138.195 -97.621 101.362 122.487 143.376 -13.756 91.408 -79.508 128.146 -75.525 97.145 1.981 135.430-107.207 111.177 -52.813 65.280 -77.171 92.995 -46.956 115.692 -54.542 121.529 105.345 135.401 -71.724 100.230-136.346 167.203-173.601 98.978-161.797 109.944 162.674 95.661 73.592 132.372-160.443 98.954 -4.419 90.025-114.613 102.923 66.473 142.829 -38.607 93.332 19.294 124.020-102.301 102.673-115.312 141.489-158.980 99.690 -37.026 138.229-109.572 100.886-174.889 147.220 -73.881 136.312 -38.285 144.988 -76.692 105.382 -41.625 102.018-100.041 95.131 -47.281 104.127 -79.389 94.587 85.386 0.000 0.000 132.820-125.691 171.579 154.181 93.749 -48.776 127.277 -94.565 91.362 -45.435 122.702-132.411 89.817 -49.248 113.115 -73.206 90.414 -48.548 144.339-117.101 91.029 -46.892 136.877-149.510 90.783 -48.818 142.307-125.776 95.584-132.834 153.612 -15.292 100.511 -25.479 97.701 -94.081 94.835 -68.780 114.042 -76.113 91.688 52.602 130.506 -95.477 127.264 -61.795 114.293 -78.536 118.279-115.510 132.676 -68.321 89.263 45.847 93.512 -82.452 94.400 43.342 115.279 -55.065 92.922 49.908 144.819 -43.436 93.798 5.678 129.175 -77.600 115.355 38.728 147.405-134.657 133.737 -85.125 136.237 -82.817 119.947 -57.364 150.584-127.032 123.595 -36.125 136.868 58.411 93.607 91.143 166.258-167.487 91.624 46.130 150.098 -33.414 97.382 48.321 141.186 -36.672 92.434 0.000 129.524 -76.167 # 23 total E -1.16647E+02 rmsd from N 0.000 %NC 0.00 120.363 157.697 150.166 -79.710 107.727 18.784 151.086 -32.646 96.581 67.745 154.147 178.698 92.559 -19.545 130.761 -76.879 118.315 149.535 160.049 158.224 117.956-101.848 112.519-160.057 110.117 -32.577 139.352 28.453 93.987 103.130 170.790 153.333 92.411 -28.004 99.780 -39.374 100.366 121.816 140.477 -7.924 92.959 67.857 147.645-133.651 93.914 26.380 95.689-122.056 97.304 60.103 137.019-128.330 93.467 15.855 144.241 -52.567 110.009-136.880 157.179-149.978 94.883 43.870 139.619-108.739 115.057 -87.700 152.223 -60.368 122.583 15.631 141.643 62.378 128.570 168.624 133.088 58.410 121.834-169.662 157.965-161.054 97.086 112.936 0.000 0.000 95.976 48.557 112.073 -81.540 90.187 44.860 154.694 -82.007 89.748 46.074 109.748-121.516 88.675 52.402 108.045 -83.622 89.722 54.163 146.355-111.885 89.786 45.965 128.790-158.578 93.786-115.797 146.872 -34.702 101.168 157.274 151.864-130.977 107.364 -91.698 89.707 -99.885 96.026 91.429 113.241 -76.293 94.073 178.488 130.418 -92.336 141.346 -74.214 124.525 -81.114 91.806 56.374 131.277 -77.811 88.591 47.776 100.977 -82.760 88.173 57.855 107.283 -51.589 88.288 53.966 133.365 -45.347 88.811 39.827 128.351 -76.192 92.366 99.002 106.997-100.284 89.865 -71.918 129.376 -77.686 95.692 -54.010 140.625-136.190 94.379 148.227 133.369 -58.964 101.894 172.939 153.393 -28.289 123.853 111.346 155.371 -5.251 100.264 41.541 144.150 -39.608 92.436 0.000 129.364 -76.404 # 24 total E -1.16036E+02 rmsd from N 0.000 %NC 0.00 124.295-130.886 147.786 -59.060 92.114 -71.495 108.664 -81.112 89.514 -54.224 138.201 -38.197 92.039 -39.181 130.033 -76.320 94.581 -40.317 134.874-110.705 96.457 -41.909 64.895 -64.650 91.295 -41.718 133.091 -27.995 106.160 -9.253 169.134 173.972 104.490 -59.829 135.876-129.774 94.588 -67.691 136.431 -28.639 89.171 125.318 148.605-128.034 117.690 -6.000 115.433-124.608 92.373 160.526 99.604 -84.979 141.827 55.666 176.452 11.993 117.325 141.047 159.883 -17.146 107.746 -89.642 153.564-141.559 98.383 48.204 140.543 -80.128 99.901 -88.629 96.248 -15.730 90.278 -38.410 129.672-148.596 98.373 -85.303 146.288-142.918 89.362 82.180 0.000 0.000 93.908 41.565 111.332 -86.375 95.845 87.281 171.493 164.845 90.692 -73.039 106.384 -53.013 100.957-142.383 119.322 -75.540 125.485 37.218 148.949-157.406 94.751 -62.406 137.352-143.054 93.500 -14.974 151.366 -23.456 109.857 175.664 149.936 -15.002 126.313 -16.082 113.839-113.882 149.672-149.288 127.886 -85.570 92.441 116.576 137.479-109.370 98.720 -23.394 112.294 -78.048 93.360 -66.682 127.887 -75.958 91.768 -43.082 107.759 -82.720 94.864 110.256 133.380-111.136 95.809 42.072 151.032-153.686 94.721 91.908 129.162 -77.248 128.084 34.732 128.770 -49.200 93.816 -61.066 129.891 -76.808 95.186 -19.082 142.396-114.396 99.138-101.025 115.204 15.624 96.511 83.105 165.548 -25.209 93.348 56.381 153.188 -4.496 93.843 119.489 98.594 -79.375 123.346 0.000 145.167 -88.685 # 25 total E -1.15964E+02 rmsd from N 0.000 %NC 0.00 123.951 -94.851 147.630 -45.793 95.374 -47.548 108.961 -63.497 93.411 -41.755 147.304 -17.008 93.114 -46.839 129.824 -76.882 100.829-159.410 116.653 -85.154 96.900 71.024 123.279 124.862 86.625-125.084 94.916 -30.447 99.311 -73.945 165.928-175.674 90.543 -60.249 102.336 -98.041 86.281 -90.422 102.599 -30.952 107.100 125.214 151.599 -0.870 89.417 -84.092 98.410 -86.291 110.810 81.817 132.817-166.304 148.896-172.533 145.424-165.989 114.846 -47.398 123.467-128.233 96.377 -93.080 114.252-132.326 96.256 25.750 151.134 131.471 110.386 131.407 133.590 99.621 104.611 -27.378 125.211 -60.153 93.904 -51.236 107.008 -83.232 90.201 -43.152 0.000 0.000 91.235 -54.382 143.103-136.821 86.866 -46.905 132.412 -82.048 90.859 -42.596 123.254-136.929 91.918 -45.306 119.895 -70.472 91.376 -45.490 148.782-158.867 95.851-101.840 147.381-128.052 90.056 53.671 144.393-138.407 96.134 60.336 142.937-111.553 93.235 33.915 99.438-106.450 98.183-116.908 117.569 -79.750 98.236 -56.895 132.498-111.159 102.261-170.749 115.076 -75.224 138.086-105.969 143.405 -82.938 95.148 -33.164 139.072 -38.598 89.365 -59.736 112.444 -48.101 88.483 -54.011 147.477 -35.878 89.679 -54.032 127.659 -75.849 90.901-121.990 122.225 -34.116 91.730 47.886 131.182 -77.221 92.790 54.360 143.347-126.322 92.520 95.569 130.796 -42.565 90.481 -71.817 133.931 -81.208 95.822 -63.115 133.154-131.325 96.058 91.907 146.581 -21.546 92.415 0.000 129.270 -75.955 # 26 total E -1.15946E+02 rmsd from N 0.000 %NC 0.00 121.961-163.825 149.705 -93.452 95.476 97.177 120.357 -34.714 111.309 -29.681 145.451 -20.322 93.910-146.303 134.341 -79.635 133.021 55.507 151.905 162.957 107.695 -14.128 67.105 -92.579 97.147 162.319 96.685 -34.781 97.307 -78.326 122.061 -91.051 83.160 -92.815 113.332-103.715 81.934 -77.946 79.313 -66.476 89.285 -57.384 171.288 179.628 101.468 -34.918 120.370-135.709 96.751-120.093 104.787 -83.264 124.358 54.757 166.282 -10.354 98.545 26.494 144.658-143.870 105.563 173.550 151.817-101.246 137.929 -98.968 159.204-101.411 122.054 5.489 138.044 -86.818 100.709 -57.048 119.717 -66.720 94.492 -24.845 105.275 -80.979 109.810-138.807 0.000 0.000 129.787 163.967 133.609 -11.349 129.406-159.710 154.724 -25.198 100.358 -90.978 116.457-114.943 111.639-137.392 135.579 160.654 120.031-131.754 135.387-139.713 94.456 43.065 140.061-121.132 92.922 46.083 103.546 -84.539 93.909 68.556 145.706 -10.955 94.082 32.221 94.124-115.757 96.997 50.102 114.632 -78.241 95.672 22.315 129.042 -95.367 117.189 158.809 119.064 -76.951 92.526 54.116 130.191 -76.571 90.886 44.057 145.946 -24.851 89.006 58.517 148.798 -22.718 87.127 54.379 161.032-164.012 89.220 40.542 127.577 -75.996 89.577 50.045 127.349-113.683 88.984 55.597 130.527 -77.458 86.866 49.596 138.141-123.611 87.629 52.896 132.934 -47.248 88.897 52.659 134.780 -45.124 90.274 42.561 145.814-135.067 95.147 87.472 143.166-123.748 92.573 0.000 128.815 -76.640 # 27 total E -1.15803E+02 rmsd from N 0.000 %NC 0.00 92.705 111.766 137.509-102.845 135.148-134.591 132.172 -25.519 97.950 -47.011 147.175 -18.628 94.047 -38.842 131.169 -77.548 107.872-156.549 143.885-124.025 114.105 43.872 109.462 126.811 94.545 150.209 102.862 -21.070 128.234 -71.691 131.850 -86.947 96.080 10.463 132.329-108.911 102.018 -88.789 81.799 -78.674 123.306 47.542 150.706 134.539 98.646 -70.671 85.553 -93.997 96.618 -29.878 112.601 -85.904 101.397 -35.774 142.454-149.618 100.268 -22.695 136.637-179.120 103.426 -39.485 152.754 174.357 97.279 -37.240 155.221 -56.400 95.127 -42.607 158.561-112.319 99.821 -26.931 101.287 168.349 114.484 42.478 110.630 -82.223 136.625 99.953 0.000 0.000 147.284 38.305 176.434 133.686 152.657-153.512 137.014 -74.537 91.205 -50.817 113.948-141.524 95.366 -53.220 117.685 -71.191 96.169 114.886 149.551-115.590 122.875 62.958 138.537 154.604 117.960 -96.634 156.442 -22.080 94.458 71.047 146.626-108.214 93.307 47.452 94.633-111.409 91.399 53.582 118.508 -77.192 89.966 45.178 135.875 168.768 93.343 80.623 109.317 -75.528 91.267 -73.566 127.880 -75.905 92.561 -53.762 97.629 -81.283 86.632 -98.035 108.240 -37.796 92.899 -20.575 147.651 -16.898 98.609 -85.766 128.995 -77.350 97.267-147.072 114.789-130.229 91.794 53.340 130.835 -76.753 91.156 49.842 140.325-109.687 90.837 51.757 125.963 -23.171 93.824-154.769 139.775-102.980 96.595 60.701 139.693-146.021 100.513 54.877 143.125 -29.181 92.396 0.000 129.382 -76.208 # 28 total E -1.14837E+02 rmsd from N 0.000 %NC 0.00 92.709 134.571 130.038 -62.363 94.391 49.359 141.604 16.968 93.356 42.326 107.298 -82.393 92.004 51.252 128.637 -75.063 92.562 41.492 137.776 -33.813 90.270 47.725 63.807 -73.349 88.700 54.235 120.876 -43.788 89.456 46.027 128.063-104.006 88.470 47.386 147.718-149.865 89.024 54.570 77.004-104.246 91.800 117.470 137.447 -82.603 91.915 78.328 134.626-161.675 84.811-171.871 98.089 -85.411 130.376 18.619 176.440 0.095 91.938 63.229 146.436-163.494 91.871 46.938 133.972-100.160 96.461-175.977 123.215 -53.785 101.579 139.095 151.932-131.402 120.462 -90.821 117.643 -75.026 92.545 62.671 144.262-149.899 92.736 69.250 0.000 0.000 124.769 -14.619 96.599 -81.564 97.030 48.774 172.613 173.020 100.067 25.129 116.047-148.251 95.114 60.529 120.861 -79.178 90.804-124.512 134.773-115.936 113.191 -80.856 123.171-160.066 93.822 77.632 152.550 -5.476 94.117 127.767 104.154 -83.771 136.900 -65.028 109.352-101.808 119.224 -5.065 119.033 -78.629 93.622 65.931 112.264-104.616 93.463 19.184 118.488 -77.352 100.257-105.450 128.666 -77.025 94.062 -70.012 98.654 -79.880 106.734-160.605 153.472 3.526 113.718 53.534 137.212-114.628 131.771-116.217 134.920 -93.208 94.929 61.646 124.221 -93.902 93.260 -93.250 128.321 -75.783 93.452-131.313 132.967 -47.884 89.880 56.278 134.845 -60.101 90.676 55.211 149.892-166.971 89.501 42.302 148.086 -13.752 94.579 127.709 141.004-123.005 123.775 0.000 145.090 -87.650 # 29 total E -1.14344E+02 rmsd from N 0.000 %NC 0.00 92.606 127.323 127.288 -64.203 103.193 131.319 136.431 88.463 95.048 -37.310 140.995-118.971 92.023 -54.319 128.562 -75.729 93.001 -35.101 134.178-114.008 95.185 -52.566 114.743-120.258 91.330 83.511 111.637 -63.995 125.264 -63.705 137.650 -91.494 139.456-145.696 146.047 -96.783 93.696 68.849 114.310 4.127 92.806 162.427 137.562 -52.302 109.978 -73.144 123.367-135.139 91.098 61.350 113.845 -82.034 107.888 115.839 113.955 -95.681 138.241-106.672 175.833 0.487 96.101 59.958 140.725-103.541 99.686-106.718 124.159 -82.951 94.526 -61.921 107.346 -30.597 125.689 172.850 153.274-176.896 113.775 21.977 148.749-157.464 96.053 44.319 0.000 0.000 90.686 50.937 140.112 -26.405 91.405 50.004 116.942 -98.052 95.101 -61.036 124.609-116.568 137.893-178.784 122.024 -79.964 127.585-158.827 152.753 -13.209 115.005 80.402 129.870-124.990 96.243 -57.449 108.168 -86.943 99.322 -45.248 154.454 -20.061 99.338 -35.000 95.744 -86.871 94.658 -53.745 121.232 -79.662 93.013 -35.863 152.929-128.256 99.835-132.628 111.849 -73.427 118.192 114.241 152.244 -73.621 93.419 -44.772 97.629 -81.953 91.593 -44.717 121.169 -0.327 93.325 -37.402 127.028 59.960 94.438 -47.892 129.131 -75.805 97.150 -82.970 128.127 -99.875 88.591 77.021 130.493 -76.548 91.096 46.135 141.867-100.280 88.642 49.770 109.264 -13.786 90.210 53.368 141.317 -48.155 89.583 40.457 139.113-132.744 95.693 108.653 143.576-121.203 123.369 0.000 144.951 -90.062 # 30 total E -1.13911E+02 rmsd from N 0.000 %NC 0.00 93.235 -96.670 122.981 -62.095 104.438 -41.493 153.164 -20.699 95.476 -43.713 110.591 -80.255 109.316-167.161 146.765 -80.942 91.996 69.190 137.967 152.718 92.546 39.264 104.128-146.172 95.233 -99.449 129.711-104.913 122.161 -26.408 144.284 6.479 91.873-129.737 144.331 -40.114 88.567 65.044 104.824 166.167 105.694 29.391 127.736 172.920 96.888 38.327 120.779-141.203 97.713 29.056 104.915 -90.385 114.743-123.714 136.005 -85.132 101.278 104.255 139.199-155.141 123.722 -92.023 144.605 -86.388 130.063-168.565 137.651 39.116 131.852-155.442 132.200 -36.696 106.163 37.714 98.667 114.609 98.296 40.868 138.512 -19.827 99.270 33.229 0.000 0.000 96.245 117.828 147.950-171.640 92.005 -49.746 115.750-107.516 91.317 -49.357 120.974-144.188 91.543 -41.361 121.344 -75.031 92.933 -55.762 143.709-135.587 92.181 -63.753 133.891-147.344 91.032 102.141 144.527-127.030 96.255 148.562 107.414 -80.512 96.539 58.475 102.615-117.354 99.258 43.747 141.653-171.757 106.595 95.029 144.096-126.127 121.250 -36.156 117.850 -76.037 95.040 -46.381 127.384 -75.955 91.416 -39.091 141.493 -39.769 90.858 -61.042 126.008 5.370 89.663 -61.484 152.828 -23.814 91.493 52.935 127.757 -75.803 129.782-173.446 100.426-106.769 95.700 36.120 129.176 -76.003 95.716 49.809 140.284-110.403 96.961 31.253 130.872 -33.794 95.124 55.568 156.370 -12.794 89.857 39.142 137.692-155.906 97.069 106.954 146.031 -24.633 122.455 0.000 145.748 -87.734 # 31 total E -1.13857E+02 rmsd from N 0.000 %NC 0.00 93.323 -86.676 128.347 -78.061 95.718 -43.140 113.635 -46.384 112.261-130.721 105.971 -76.256 125.450 102.022 151.120 -85.679 103.757-107.742 79.765 -77.033 92.842 64.147 122.943 8.113 95.490-106.704 135.981-157.270 108.041 38.044 168.667-134.478 128.192 109.075 152.840-142.951 94.516 59.560 132.039 173.412 93.187 43.199 124.344-138.705 114.035 -82.733 119.491-128.938 116.446-121.867 146.068 -14.221 120.655-127.329 157.283 -19.070 114.332 57.262 116.333 -86.120 92.491 -79.571 113.258-110.273 92.024 -38.870 136.766 -83.771 99.867-162.327 157.737 -17.262 96.954 -46.671 95.490 -66.646 91.806 -64.114 111.394 -77.722 93.961 49.078 0.000 0.000 132.056-106.096 164.309 7.537 105.009 -63.620 139.670 -82.933 94.115 93.264 105.687 -97.997 160.151 73.860 138.947-100.670 144.623-125.231 176.476-165.432 123.145-158.230 114.481-109.832 97.652 53.778 154.418 -13.960 94.792 136.340 143.249-106.830 94.524 -46.525 95.841-102.034 93.083 -52.580 112.119 -77.459 91.916 -34.011 132.104 -96.404 97.629-123.889 130.071 -9.830 93.178 -44.675 129.297 -76.817 92.266 -42.973 98.930 -79.430 92.913 -96.071 117.606 -32.305 109.555-157.228 153.603 -20.539 124.506 116.873 150.166 -97.118 95.032 146.797 104.793-114.964 93.212 48.456 131.549 -77.975 91.846 44.863 140.789-109.131 90.964 49.794 126.805 -34.620 90.808 53.440 138.132 -93.441 89.811 46.626 137.919-176.213 93.780 94.913 142.303-120.729 92.503 0.000 128.787 -76.528 # 32 total E -1.13810E+02 rmsd from N 0.000 %NC 0.00 92.648 162.395 120.724 -43.004 93.161 78.483 143.348 151.441 97.204 14.278 142.147-120.746 97.702 -97.349 130.975 -76.055 107.972-146.278 146.821 -11.838 98.526 63.231 105.978 -69.854 93.422 17.408 121.763 -48.167 101.111 163.409 132.312 -76.976 147.793-137.483 167.740-178.385 90.007 -89.415 95.086 -93.273 111.778 166.432 131.789 151.081 112.448 -42.620 116.499-127.050 92.288 80.439 143.325 -37.258 94.523 153.124 120.727 -84.021 110.461 8.538 142.266-156.200 94.883 64.318 137.476-117.851 93.924 14.576 121.347 -74.524 110.779 173.142 148.199 -6.511 122.239 129.830 117.470 157.063 129.532-134.043 106.555 -81.785 102.921 68.632 0.000 0.000 138.163-161.196 138.785 -1.686 85.618 -70.273 170.320 173.520 101.042 -57.314 131.733-138.101 90.727 151.414 114.559 -74.966 92.627 -42.233 140.499-146.660 93.859 -66.306 144.108-125.577 91.520 -20.223 155.633 -12.476 108.411 165.504 164.975-166.711 102.890-168.747 87.169-118.340 92.565 54.540 139.187 144.857 92.682 42.803 125.013 -64.979 89.226 51.831 115.805 -67.947 91.344 42.724 127.736 -76.087 91.522 46.215 136.937-155.798 91.285 41.141 105.523-120.811 92.742 119.334 126.331 -86.456 92.219 45.804 131.176 -78.358 92.440 112.359 112.898-112.764 92.721 -44.206 128.335 -76.263 94.962 -47.480 142.555-120.538 95.738 -30.954 124.598 -16.431 97.240 -51.938 154.781 -27.132 91.905 -35.517 141.945-152.879 99.359 98.648 105.725 -78.854 92.410 0.000 129.177 -76.128 # 33 total E -1.13702E+02 rmsd from N 0.000 %NC 0.00 124.407 132.500 137.841 -28.292 113.649-167.536 131.676 18.454 103.250 179.214 139.556-139.717 92.002 72.774 129.945 -76.980 92.528 15.399 97.156 -81.065 105.663-107.154 85.739 -48.121 117.427-175.006 116.664 -40.009 90.509 61.232 146.400 -70.220 91.908 30.975 140.720-131.724 96.107-120.611 127.736 178.279 120.399 126.327 131.815 162.229 130.224 -25.881 115.350-116.439 142.208 153.135 104.675 -82.443 123.164-126.545 161.926 -22.688 104.047 98.434 112.015 -84.312 94.697 -49.745 124.124 -94.822 89.956 -46.228 141.066 -83.262 88.979 -67.030 144.257 -97.667 85.841 -51.403 138.149 -38.582 88.787 -44.787 103.735 -82.896 88.531 -50.696 0.000 0.000 89.318 -48.580 146.270 136.329 88.855 -48.724 140.119 -92.884 91.072 -55.907 123.440-153.537 96.407-138.937 113.079 -70.520 91.549 48.000 144.051 -32.896 93.192 58.016 138.774-144.655 93.234 -86.471 149.312 -29.242 127.671 175.424 154.739 -12.661 121.971 -38.725 108.160-107.382 93.560 -42.937 109.412 -78.483 92.482 -41.151 128.024 -25.893 91.215 -53.398 108.601 -70.262 90.631 -47.081 130.414 -77.009 90.548 -40.617 101.812 -80.493 102.131 137.802 176.450-165.115 88.316 85.889 129.718 -43.317 96.661-168.067 127.629 -75.318 87.652 130.362 108.520-150.332 91.777 -47.955 126.551-101.504 91.028 -47.593 144.891-139.913 90.604 -46.895 140.315 -96.573 91.139 -54.267 147.291 -37.739 90.378 -32.847 142.317-141.914 104.578-169.271 105.426 -78.923 125.496 0.000 147.675 -85.540 # 34 total E -1.13124E+02 rmsd from N 0.000 %NC 0.00 92.631 -11.763 127.086 -74.557 100.567 -38.325 141.700-115.309 95.282 -56.684 144.675 -29.203 95.201 167.111 128.705 -74.918 92.650 164.644 126.923 -45.543 148.359 113.117 152.540 107.468 90.962-108.527 117.955 -15.115 91.313 45.964 142.804 -91.338 94.023 60.972 148.831-177.594 86.978 141.700 94.771 -90.671 117.915 -1.809 149.997-133.107 97.492 -53.589 99.064-108.625 94.448-112.535 140.446-157.636 127.490 -23.275 152.494-176.337 93.890 61.814 133.801-159.458 94.558 18.043 129.623-102.596 107.916-175.374 144.416 -15.013 132.898-151.764 129.932 107.766 106.212 -30.065 130.284 160.617 93.796 -52.359 142.621-144.900 97.656 -88.423 0.000 0.000 82.751 84.878 106.942 -80.673 90.881 44.879 134.925 -88.015 90.053 51.497 133.813-150.104 90.557 43.497 110.612 -75.140 94.865-117.028 128.181 -77.050 94.613 -64.621 137.582-114.708 98.046 53.855 150.807-156.681 133.560-136.093 110.238 -78.346 121.430-130.975 117.563-121.304 134.671 -60.540 119.059 -83.691 91.007 62.419 138.090-137.137 93.100 49.540 107.918 -74.962 93.979-108.765 129.306 -77.265 93.318-125.166 138.065-131.460 96.884 37.820 140.925-166.734 93.773 48.790 134.871 179.835 93.068 36.192 129.072 -77.090 92.263 53.750 126.677 173.499 89.060 47.934 138.133-111.136 90.079 45.080 137.021-134.938 89.391 55.547 128.624 -40.942 89.737 62.944 148.293-136.417 86.873 39.921 150.944 -37.475 96.169 112.391 102.600 -79.139 120.271 0.000 146.405 -82.015 # 35 total E -1.13095E+02 rmsd from N 0.000 %NC 0.00 92.701 -13.807 131.350 -85.680 120.636 -94.941 150.556-130.448 117.972 38.719 109.718 -81.421 94.612 175.418 128.567 -75.873 95.718 64.957 141.426 128.356 91.773 29.758 147.500 7.483 98.000-116.132 101.824 -39.810 87.421 -56.298 136.330 -71.056 94.149 -29.337 140.824-128.591 96.661 -58.010 69.617 -83.007 93.719 -2.683 154.045-167.951 120.644 134.987 125.457-135.440 90.878 150.494 149.745 -30.510 136.283 -20.558 154.999-135.165 101.158 -6.883 138.820-156.167 105.823 -63.896 152.003-134.369 96.433 -27.910 128.230 -83.689 94.155 114.720 148.688 113.588 92.543 21.747 122.170-146.320 101.706-155.596 144.932 -22.466 129.036 7.837 0.000 0.000 128.532 -91.133 169.969 157.606 132.840 59.799 159.230-136.620 97.420 -42.743 119.189-149.872 99.604-143.313 115.888 -76.545 130.434-151.917 155.375-168.480 124.908 -51.644 135.935-127.167 95.835 -29.861 108.856 -84.392 105.893 177.114 149.591 -7.124 128.122-131.499 111.375-109.662 105.022-176.358 124.605 33.598 98.268 -28.573 138.637-141.014 94.796 -52.770 110.580 -73.568 92.337 -37.898 127.656 -74.719 94.989 -78.900 105.355 -83.895 88.726 89.668 130.451-140.774 93.762 60.060 138.466 170.744 90.288 45.000 127.348 -75.676 94.656 148.155 86.226 -76.574 123.663 114.630 160.442 -89.067 94.166 -27.732 141.007-111.415 95.987 -82.985 124.189 55.767 106.984-115.805 166.672-167.503 95.216 -28.337 135.388-139.323 99.384 57.363 106.692 -80.569 117.609 0.000 146.947 -79.672 # 36 total E -1.13021E+02 rmsd from N 0.000 %NC 0.00 93.222 -75.137 127.070 -75.956 93.584 -53.107 112.840 -71.970 92.858 -39.525 104.504 -76.659 93.498 -43.375 126.569 -74.654 98.548 -19.395 151.183-138.427 107.498 -30.749 53.747 -77.914 97.301 -31.965 121.907 -54.725 104.903 -22.793 138.546 -79.118 106.094 -29.165 155.720-141.941 101.872 -45.570 120.664-138.688 92.206 115.850 133.178-133.370 127.441-124.378 111.183-111.973 91.434 -38.011 140.137-157.388 100.386 -78.346 150.219 -21.143 96.511-171.441 148.875-154.432 98.026 130.264 140.016 162.187 100.169 -3.946 117.019 -96.894 99.606-144.402 129.771-102.247 92.447 44.687 160.334-103.533 95.198 50.434 149.045 -25.189 102.395 15.187 0.000 0.000 100.633 53.113 136.059 3.709 101.007 147.831 146.108 -79.517 91.293-117.198 107.147-159.246 118.179 -19.965 144.692-179.455 92.559 70.861 135.839 162.960 92.250 25.125 140.761-118.474 96.928-111.419 146.785 -29.337 99.461 163.939 116.818 -78.064 92.867 67.937 102.812-136.091 91.042 13.430 111.907 -79.540 104.575 133.672 139.090 65.978 159.543 47.787 141.514 -91.617 94.228 42.553 129.468 -75.998 90.496 49.149 129.964-120.161 93.591 62.468 112.266-115.697 125.533-155.342 147.130 -97.453 92.121 69.309 128.301 -76.000 89.220 69.570 119.784-124.240 89.752 59.478 128.788 -75.354 88.632 42.253 142.410-113.130 92.721 77.223 130.747 -44.811 89.864 -80.826 142.088 -49.284 99.409 -48.944 140.172-137.835 105.793-174.277 150.532-136.137 92.753 0.000 129.535 -76.065 # 37 total E -1.12968E+02 rmsd from N 0.000 %NC 0.00 120.606 -48.797 150.120 -56.690 122.675-122.631 134.818 -51.973 94.136 37.484 139.969 -53.115 94.083 53.371 127.498 -73.990 93.318 38.613 144.429 -4.040 92.233 44.406 77.071 -96.364 91.341 52.029 108.271 -62.192 90.081-121.644 134.313 -81.849 102.130 -40.126 88.109 -59.161 90.997 -38.201 137.712 -34.646 102.609 -38.212 159.487-143.991 110.297 -52.276 125.786-142.146 99.840-142.010 147.328 -23.496 119.348 44.814 145.815 170.313 96.530 36.587 151.948 -33.957 91.833 51.846 155.488 -90.311 90.272 66.872 142.588 -99.743 87.268 54.520 149.424-145.643 90.155 48.668 114.011 -98.311 94.120-106.176 138.810 -42.095 94.475 -47.455 0.000 0.000 92.831 -63.054 163.449 171.535 90.733 -30.506 123.210-120.433 96.520-117.743 117.978-154.527 98.939 22.795 145.245-125.571 95.290 70.004 142.390-151.418 93.939 10.363 138.235-177.699 109.149 -71.149 152.016-176.956 136.756 169.304 113.452 -76.385 135.961-173.379 108.113 -99.584 112.978 -14.765 121.169 -80.253 92.466 -70.595 100.307 -62.070 90.877 4.581 115.194 -73.086 119.320 -42.943 142.596 -78.455 133.520 173.845 152.137 -5.145 92.203-136.398 103.227 -81.528 93.499 49.088 154.006 -10.090 90.934 43.430 129.452 -76.763 88.112 58.400 142.630 30.629 88.365 69.402 129.866 -77.681 86.058 52.010 136.938-115.137 89.790 88.038 130.283 -26.062 88.499 129.414 138.084 -54.999 93.529 71.993 141.000-175.272 92.971 87.964 98.654 -80.247 92.521 0.000 128.948 -76.379 # 38 total E -1.12950E+02 rmsd from N 0.000 %NC 0.00 122.918-118.978 150.955 -99.292 97.317 -63.060 112.585 -59.461 104.097-121.707 107.187 -80.187 125.315 175.178 159.896 -88.492 115.472 82.808 126.581-123.597 110.349 -56.248 90.070-106.267 89.800 -95.137 109.370 -29.215 116.363 147.805 164.000 154.751 93.428 47.638 116.516-119.020 94.830 40.608 91.624-100.818 93.306 86.185 156.538-174.420 88.207 -68.231 94.467-124.816 92.094 -62.576 103.716 -81.249 91.317 -98.790 131.805 116.334 104.606 -89.842 167.609 -19.226 95.188 60.240 140.352-101.475 101.355 -92.075 134.302 -84.135 130.658 -86.807 121.709 42.266 95.233 50.486 149.774 -13.332 95.018 39.245 147.998 -41.330 92.583 47.337 0.000 0.000 92.441 45.636 103.809 -87.761 90.202 50.930 171.955 175.033 89.377 53.254 105.349-143.789 91.444 116.541 105.873 -75.330 92.754 -34.755 145.570 -45.636 94.835 -63.236 142.477-160.193 92.666 -40.441 153.948 -27.474 94.633 141.376 143.257-104.381 97.292 14.174 94.138-112.514 113.431 152.606 119.048 -76.670 92.919 49.129 135.487 156.574 92.479 41.457 112.084 -75.639 90.732 71.240 127.807 -74.174 91.432 18.997 94.280 -95.751 107.176 101.153 145.764 146.501 134.054 -92.336 139.538-163.228 134.732 59.020 145.999 -96.520 131.075 133.017 142.435-128.382 138.783 -77.809 140.747 -84.307 97.933 -26.231 141.356-119.704 92.796 -55.799 123.538 -12.518 91.787 -60.916 148.999 -31.065 90.040 -51.099 137.970-135.326 95.398 71.849 145.962 -24.628 92.414 0.000 129.254 -76.355 # 39 total E -1.12833E+02 rmsd from N 0.000 %NC 0.00 92.688 61.378 137.742-102.521 135.025-166.622 135.333 -23.296 104.006-118.493 113.176 -81.389 127.352 -7.616 144.384 -90.144 93.849 124.626 152.822 165.179 100.625 -11.531 116.322-179.097 91.915 -78.180 105.827 -42.810 89.188-149.012 153.809 -84.706 92.376 -58.496 115.397-130.642 90.446 -72.862 75.244 -73.956 99.829-148.871 159.840 -30.453 133.454-102.330 109.334 -99.886 100.324 167.131 137.875-150.089 91.985 -59.312 142.507 -96.026 92.723 -33.270 151.669 -32.036 97.996-111.104 138.896 -94.146 95.467 30.697 139.547-121.820 95.062 62.586 142.501-105.373 101.986 3.417 140.740 177.187 118.532 2.399 147.415 -17.875 128.840 164.712 0.000 0.000 133.139 -61.884 171.272 147.032 90.005 60.861 134.468 -96.129 93.218 23.131 104.622-119.640 98.222 97.222 115.435 -78.303 94.900 -18.516 150.595-137.376 99.248 -78.055 133.797-139.089 91.847 -10.493 142.819-127.266 108.936-161.362 151.898 -15.477 128.019 -93.645 113.127-110.621 90.230 69.788 109.603 -76.081 91.809 66.818 122.817-113.891 90.238 62.064 112.198 -77.524 93.116 -14.525 128.671 -76.370 122.944 97.036 146.918 -16.570 101.354 -87.284 124.309 -67.675 86.603 -52.184 120.977 -67.054 91.314 -27.917 130.652 -75.864 104.415 0.623 64.393 -85.430 142.897-140.791 151.303 -82.251 92.757 53.284 137.223 -97.897 93.513 76.052 129.692 -51.145 90.292 -91.050 139.598 -51.235 96.723 -62.928 137.206-135.365 98.445-132.896 108.131 -76.636 92.977 0.000 129.290 -76.431 # 40 total E -1.12829E+02 rmsd from N 0.000 %NC 0.00 92.716 137.193 132.208 -69.121 95.191 44.179 134.710 39.624 96.476 116.644 108.040 -79.610 91.077 -50.974 129.628 -77.007 97.719 -37.612 94.641 -68.747 100.461 -30.274 115.043 -30.469 95.944 -52.409 117.359 -55.965 107.315 -4.830 134.304 -87.411 96.328 -57.273 105.967 -70.793 91.641 4.772 139.003-135.195 116.000 -52.905 122.068-132.016 99.891 -26.487 91.225-102.571 99.165 63.407 133.352-121.024 143.407-106.580 142.461-106.701 106.978 -90.621 154.665 -1.307 98.180 25.553 136.543 -83.258 97.914 84.295 140.155 -64.995 93.463 -6.334 137.439 -92.068 106.618 -98.206 176.354-152.421 92.048 -53.384 133.544-113.399 95.265-125.159 0.000 0.000 94.196 38.490 135.067 -27.239 89.912 57.437 149.924 -81.461 89.096 48.381 115.822-136.727 89.285 46.366 112.753 -74.841 91.423 47.122 147.071-108.219 91.873 49.734 139.204-145.302 92.260-106.286 103.596 -82.721 109.711-163.350 152.220 -19.926 93.649 -51.411 99.459-105.208 93.596 -51.665 132.457-120.177 92.887 -35.778 129.705 -89.616 99.342 179.100 132.241 -10.745 131.546 -37.326 130.340 -86.271 91.970 129.095 142.973 -12.980 93.126 -25.589 140.688-111.082 98.112 -67.128 144.510-147.357 95.326 -13.020 128.523 -76.330 104.379-144.098 124.608-114.104 117.829 37.401 145.477 -92.084 94.240 46.269 141.453 159.790 93.711 118.865 131.772 -44.534 135.841-127.669 171.046 -1.103 94.672 29.312 136.894-134.950 110.811 109.357 104.286 -78.442 122.273 0.000 150.314 -84.450 # 41 total E -1.12783E+02 rmsd from N 0.000 %NC 0.00 92.623 20.574 128.037 -75.739 95.245 -48.131 133.549-112.117 93.116 -46.557 101.156 -78.341 92.243 -43.915 126.956 -74.335 99.067 -23.116 153.925 171.940 108.414 -24.937 130.885-174.235 100.171 -46.279 105.722 -63.621 103.550 178.942 141.474 -79.267 125.648-135.318 135.110-127.707 93.861 -96.208 90.925 -66.122 119.277 50.681 174.859 -7.182 92.849 69.779 102.226-114.027 87.068 66.604 99.481 -75.290 88.810 63.019 120.755 -56.320 90.807 34.204 107.570 -86.149 95.168 51.782 140.061 -91.370 97.338 -0.823 117.575 -70.582 131.161 -92.226 130.727 -56.177 103.857 -30.531 109.933 -24.041 99.711 -41.008 140.862 2.266 98.829 -48.939 0.000 0.000 87.921 117.035 101.398 -84.803 113.529-167.909 137.934 -89.372 90.384 -52.577 116.529-166.500 92.950 -53.634 122.644 63.871 94.271 118.751 164.994-165.606 94.834 47.362 142.559-141.615 103.651-106.786 99.820 -80.544 90.250-133.000 110.763 -77.527 104.545 -66.238 94.382 -89.604 90.782 -20.125 117.415 -83.543 106.747 -44.340 146.275 157.327 117.837 -87.834 142.001 -26.818 90.667 62.882 129.958 -75.873 87.484 48.815 105.067 -86.237 91.723 73.059 100.957 -74.286 81.856-104.924 141.032 -60.459 90.556 -70.031 126.925 -76.310 82.734 -57.458 130.181 109.211 90.182 -57.843 130.500 -76.648 90.360 -43.676 148.371 36.420 94.204 115.605 126.383 -49.148 93.094 63.161 150.823 -27.875 91.187 42.158 136.533-144.663 95.613 116.229 143.971-123.848 123.829 0.000 145.143 -89.853 # 42 total E -1.12461E+02 rmsd from N 0.000 %NC 0.00 124.036-134.711 147.896 -60.352 95.807 9.314 129.774 -63.197 114.973-132.610 145.885 -28.293 127.744 77.748 145.457 -86.772 94.126 -52.461 126.704-108.654 96.357 -37.607 73.210 -63.976 93.252 -43.569 149.429 -93.950 99.323 -26.329 142.597 -77.663 106.190 -91.067 125.658 -86.275 89.967 83.630 108.592 -0.440 92.681 85.137 147.279 -31.976 90.687 179.938 100.274-111.775 104.678-173.323 127.948-146.446 132.616-133.935 141.172 179.675 120.264-103.848 133.340-148.586 93.237 44.972 137.464-101.782 90.685 51.366 130.973 -62.314 90.108 54.374 104.182 -2.669 89.339 50.765 167.989 100.754 91.608 32.680 142.748-135.326 101.987-131.108 0.000 0.000 137.143-125.136 168.609 124.176 93.011 -52.846 134.802 -93.491 91.512 -47.902 116.882-158.614 90.855 -46.236 113.705 -72.148 94.873 -80.789 153.765-139.801 110.751 -98.833 95.047-125.939 94.607 -25.767 144.001-137.317 119.723 179.574 168.339-159.361 125.306 136.128 113.531-113.649 95.038 52.144 117.682 -80.748 92.770 70.945 130.580-112.787 97.448 173.733 109.008 -76.594 94.368 49.343 128.136 -75.609 104.479 176.296 102.124 -87.058 94.803 53.617 137.720-118.519 91.627 45.962 149.441 177.287 90.558 47.978 129.098 -76.484 91.140 58.530 105.827 -58.504 90.265-115.255 130.131 -77.264 94.276 -41.069 141.596-115.272 89.027 -53.570 118.149 17.651 91.602 -49.867 152.699 -26.240 91.353 -48.110 108.124 -82.919 95.526 134.707 147.240 -23.068 124.009 0.000 143.445 -89.164 # 43 total E -1.12335E+02 rmsd from N 0.000 %NC 0.00 93.147-166.144 123.805 -55.648 110.760 111.640 154.193 147.603 102.788 -28.005 130.433-113.317 94.583-154.805 128.362 -75.508 116.725 103.755 142.229 20.048 90.206 -45.828 76.806 -82.826 97.716-116.070 124.480-140.323 92.505 59.689 174.186 179.477 91.055 55.147 130.716-164.862 92.555-164.009 111.840-155.369 111.331 -75.040 152.409-157.842 98.056 -49.496 100.796-119.356 99.463 159.121 136.604-138.595 112.754 -22.395 173.675-154.963 93.549 -58.783 135.287-146.855 92.229 -26.502 133.626 -95.737 110.584-149.299 138.565 69.016 112.526-177.717 140.953 -76.435 144.290 105.898 122.407 132.602 105.762 -17.319 114.502 -79.377 152.400 104.730 0.000 0.000 121.580 -20.003 170.870 168.683 118.912 33.223 131.136-100.836 94.672 39.362 119.994-116.223 92.088 46.704 113.092 -76.670 92.410 54.241 128.746 -91.361 89.762 48.378 134.626-139.947 90.507 39.189 141.079-123.631 99.425-124.852 149.913 -36.049 96.909 100.996 99.795-104.487 145.033-118.996 123.639 -83.583 119.207 169.410 135.312 36.161 146.066 6.795 125.042 -84.101 129.885 -85.284 135.902 -80.105 95.513 -38.484 99.990 -81.038 91.512 -89.362 113.426 -50.778 93.469 -2.720 148.328 -31.255 100.897-108.530 127.485 -76.445 92.749-147.080 160.131 -74.852 125.864 17.676 148.837 -99.719 94.239 47.805 140.470-142.396 93.134 41.646 128.341 -38.512 105.325 170.567 118.501 -68.579 93.756 58.044 144.762 176.906 109.592-177.332 101.007 -78.709 125.886 0.000 148.308 -86.102 # 44 total E -1.12325E+02 rmsd from N 0.000 %NC 0.00 92.845 -9.729 138.396-116.496 104.658 -23.268 141.077-103.666 95.129 -74.518 102.775 -79.032 93.451-105.860 128.434 -74.871 111.908 1.048 149.426-173.645 104.078 -42.290 131.759-170.311 96.265 -46.435 104.406 -54.966 95.500-137.447 132.952 -49.263 88.901 -53.119 124.976-125.374 91.786 -36.717 142.997 -9.957 100.781-101.838 138.959 -91.125 91.326 60.661 106.549-113.865 94.520-174.762 131.378-127.240 123.017-130.242 143.728-159.914 95.383 107.235 135.382-146.351 95.888 -19.464 123.777-138.216 98.612 -86.318 156.611 179.871 94.618 -6.446 138.171 -97.201 98.806 100.179 140.311 -51.680 91.724 52.940 144.648-170.057 90.131 48.300 0.000 0.000 90.997 42.930 144.943 -24.747 93.216 44.552 171.010-149.202 90.972 45.985 111.481-138.319 90.060 47.016 104.518 -74.088 91.223 53.746 148.584 -41.877 90.312 42.252 140.963-166.618 93.304 154.542 107.980 -84.360 134.866 11.329 124.204 -99.076 96.213 -51.682 128.282-149.330 95.762 -40.586 113.096 -77.762 94.331 93.788 134.942-105.401 132.784 81.596 120.143 -80.067 123.217-117.803 143.056 -70.941 96.323 -27.337 104.438 -83.487 93.243 -60.304 109.306 -59.021 91.685-128.233 146.454 -23.790 93.404 43.051 135.211-109.214 97.093 107.016 116.950-121.574 93.813 -22.302 131.451 -76.534 97.012 -70.408 143.406-142.856 92.201 -24.773 132.590 -40.123 104.816 92.907 162.434-141.367 125.054 -76.086 155.549 -1.601 129.818-164.008 150.302 -8.349 93.043 0.000 129.116 -76.903 # 45 total E -1.12262E+02 rmsd from N 0.000 %NC 0.00 92.664 137.463 131.021 -73.311 136.511 157.873 137.673 98.975 119.976 -35.062 106.182 -77.615 94.973 137.188 127.352 -75.396 147.739-168.247 166.615 16.284 103.546 25.738 99.924 -73.000 100.402 -82.231 114.163 -73.475 133.524-126.010 126.701 -62.203 112.217 115.487 115.351 -38.579 101.084-115.922 89.008 -72.661 123.895 57.280 162.394 167.952 95.157 39.601 92.513-117.109 95.897 43.695 110.881 -83.765 111.929 -63.411 142.314 -91.315 123.917 -95.902 136.337-129.981 107.734 50.244 145.563 137.524 119.041-134.421 137.449 -33.927 129.084 43.479 143.321 -65.359 125.552 -17.036 91.220-120.646 92.869 63.684 145.853-166.407 91.204 44.077 0.000 0.000 90.993 48.620 110.143 -81.360 90.242 44.759 142.156 -78.187 92.104 42.880 123.729-131.369 90.646 46.322 110.493 -76.878 90.558 53.567 132.025 -89.796 91.705 42.773 134.048-156.432 92.908 38.193 152.567 -21.904 98.770 35.943 109.219 -82.701 109.545 165.176 94.972 -79.880 97.846-164.962 118.447 -75.761 93.839 -48.578 133.982-146.224 93.624 -69.092 111.855 -74.341 91.528 108.157 129.324 -74.983 90.460 123.019 105.525 -82.540 122.661 -99.105 132.698-100.933 108.230 47.218 135.982 -88.676 135.305 -29.433 148.439 -95.110 97.240 115.569 121.527-107.776 93.529 -26.934 130.197 -76.724 97.085 -70.402 136.362-105.717 92.852 179.754 134.118 -48.552 107.489 -37.512 130.371 -90.729 108.624 -91.035 105.934 -82.536 105.968 176.366 147.741 -19.742 126.368 0.000 146.970 -88.616 # 46 total E -1.11948E+02 rmsd from N 0.000 %NC 0.00 92.928 -60.008 124.427 -70.347 94.397 -45.188 111.422 -76.007 93.773 -44.800 136.578 -29.967 94.999 -25.728 128.486 -75.920 105.730 -38.976 146.731-116.676 102.447 -7.322 103.957 -97.587 114.628 -31.025 128.560 -19.998 124.338 -64.531 151.227 18.945 110.075 40.280 154.809 -27.393 89.815 124.149 139.700-126.269 94.458 56.657 109.098-145.012 95.157 34.258 96.062-108.799 95.105 45.320 107.407 -85.537 93.184 41.000 133.074 -93.668 101.662-107.462 106.848 -93.314 120.095-107.436 154.099-137.678 118.805 75.086 152.545 118.388 93.746 126.233 138.863-101.549 93.668 -45.852 111.169 -78.407 91.771 -50.265 104.634 -81.191 90.011 -43.731 0.000 0.000 92.536 -43.453 113.492 -78.612 95.939 -43.334 141.431 -83.328 98.171 -76.526 105.186 -96.082 102.326-143.025 129.114 -47.200 112.152 -66.906 159.815-152.253 95.775 39.635 138.612-133.120 109.890-118.714 145.517 -30.902 96.641 -19.529 158.547 -7.152 131.404 4.746 111.306-105.820 129.754-143.976 158.753-127.019 100.255 -58.262 129.624-129.443 108.683 -81.302 112.646 -74.939 109.083 162.066 150.854 -75.624 100.852 173.159 133.423-134.987 150.449-115.853 176.359-175.971 96.901 -14.711 132.425 -87.467 98.420 -77.517 127.917 -76.210 109.004 -64.291 142.776 -6.769 90.741 77.113 130.195 -76.693 93.338 35.950 140.979-112.477 93.684 65.081 122.563 -15.869 93.356 -11.493 133.672 -45.199 120.860-108.094 150.320 -44.829 93.474 106.070 143.503-123.773 92.480 0.000 128.635 -76.425 # 47 total E -1.11757E+02 rmsd from N 0.000 %NC 0.00 115.515 27.365 151.126 -61.942 141.773-178.117 133.597 -47.966 102.817 149.810 108.753 -79.252 97.141 -72.353 128.495 -76.171 96.208 42.114 115.886 -23.788 112.863 -89.194 135.450 -17.992 93.893 61.899 111.441 -60.369 126.541-117.516 131.789 -71.176 92.350 62.934 102.012 -36.784 114.871-178.872 119.605 -45.694 115.412-166.527 131.451-159.730 114.880 -2.181 120.807-131.018 89.848 70.313 142.312 -41.651 91.965 -8.200 126.581-111.033 116.141-100.642 143.150-145.181 116.374-176.536 154.934-130.996 142.718 169.027 153.572-107.355 95.982 137.083 139.601-103.889 111.919 -26.333 102.220 -82.434 92.984 -58.514 105.818 -81.666 92.339 -43.535 0.000 0.000 96.144 -38.109 103.115 -76.926 95.249 -47.326 168.045-108.134 95.185 -68.068 119.407-130.992 94.199 174.204 112.004 -76.128 96.798 -71.202 149.387-147.485 94.852 -39.301 143.298-145.023 97.448-120.678 145.121 -18.197 111.596 50.239 153.738 -7.954 91.725 58.012 102.194-125.384 93.436 34.339 113.026 -79.415 97.133-116.745 105.029 -51.447 93.814 -80.212 131.402 8.675 100.119-147.173 128.476 -74.459 89.311 25.167 130.397-111.276 103.520-151.167 102.575 -46.761 107.023-116.864 150.365 -28.926 90.717 47.569 129.056 -76.096 89.681 56.764 121.550-130.754 90.920 43.926 127.815 -75.041 90.695 46.255 138.912 -53.167 91.684 56.984 130.354 -43.245 91.128-121.929 135.929-119.469 98.268 -9.176 139.775-144.283 113.069-142.617 154.589-143.978 126.345 0.000 146.716 -87.971 # 48 total E -1.11310E+02 rmsd from N 0.000 %NC 0.00 92.592 131.769 129.235 -61.735 93.861 53.738 151.122-147.782 92.999 46.997 148.002-149.586 91.624 42.353 129.636 -75.404 93.869 42.703 157.531 143.482 95.006 37.567 116.078 -32.167 95.903 38.194 108.871 -78.514 107.901 -27.611 141.660 -93.450 124.717-132.674 146.373-110.909 118.327 151.061 115.361 146.898 126.384 -41.551 135.282-145.768 110.705 -67.439 114.850-124.243 93.066 -40.412 140.713-132.053 101.891 104.754 159.235-161.497 120.620 88.412 150.199 -36.936 101.922 -34.478 153.574 -78.763 94.579 -53.087 143.895 -90.386 93.883-130.601 93.987 -17.988 89.991 51.570 127.834-153.306 91.037 48.445 144.568 -23.429 90.532 45.213 0.000 0.000 97.046-176.393 99.323 -69.680 113.072 27.070 171.052-146.912 91.413 -70.038 124.378 -74.854 88.919 -8.356 116.304 -75.693 113.790 55.513 165.920 -13.152 132.612-122.587 158.056 169.240 120.466 94.951 156.751 -2.645 94.417 75.541 141.922-107.971 94.617 58.800 93.932 -88.992 92.017 46.583 147.212 -80.957 91.449 44.204 131.298-114.892 92.071 52.708 109.750 -75.458 94.760-150.030 128.589 -76.415 98.859 178.914 139.903-146.520 123.810 -20.882 143.964-105.839 104.746 -33.582 124.692 -89.333 94.027 -40.389 128.534 -76.058 93.728 -63.237 121.101 -67.127 91.837 123.368 131.405 -76.687 93.501 48.260 138.246 -85.685 92.732 47.402 122.955 4.806 94.941-118.624 145.599 -44.736 96.801 -16.337 108.550 -84.591 108.790 -78.996 107.166 -69.902 118.548 0.000 145.259 -72.170 # 49 total E -1.11299E+02 rmsd from N 0.000 %NC 0.00 118.877 111.045 146.288 -38.270 94.483 51.422 136.499 -77.927 94.715 48.436 146.536 177.248 92.129 118.755 129.769 -76.451 90.360 -45.653 119.461-110.954 94.901 -44.729 73.082 -62.866 93.675 -28.641 125.809 -46.175 106.498 -29.538 139.541 -79.176 101.252 -29.825 125.075 -80.476 101.570 -29.231 141.020-142.279 101.367 -26.460 153.200-123.843 117.888 -34.493 115.634-120.376 93.989 152.689 126.555-150.452 94.678 54.573 141.373-113.778 92.292 53.815 139.018-151.625 95.642 2.567 118.048-129.498 131.025 111.535 146.457 5.833 118.495 155.891 154.413 -64.162 137.931 -58.929 128.320 178.388 94.458 67.892 148.806 -18.869 90.733 50.680 0.000 0.000 90.661 50.289 129.189 -13.109 90.245 45.340 144.186 -82.189 92.510 54.644 125.676 135.950 93.584 164.812 115.726 -78.095 140.242 58.742 163.960-153.868 128.388 110.579 142.885-156.436 121.934 -90.389 156.493-153.219 128.090 87.284 113.717 -78.714 95.763 -58.841 92.840 -86.652 91.579 -21.817 124.698 -80.731 109.185 -46.328 125.094 21.819 103.436 -75.450 117.580 -72.753 92.986 79.467 127.605 -74.959 95.223 111.393 137.321-155.128 141.573 46.260 133.649-145.007 97.523 60.889 127.618-130.125 114.925 -14.812 126.761-104.534 93.055 68.238 138.608 -89.998 91.746 121.938 130.811 -78.121 91.940 71.867 145.919-163.782 91.179 119.799 131.815 -82.681 92.334 58.449 148.105-115.541 91.682 35.919 151.386 -36.586 97.552 94.006 105.404 -79.975 121.332 0.000 145.773 -86.281 # 50 total E -1.11205E+02 rmsd from N 0.000 %NC 0.00 93.025 -60.050 121.492 -61.862 94.918 -46.195 120.286 -68.734 93.411 -42.019 104.575 -78.104 91.834 -44.573 126.411 -73.393 89.328 -45.423 142.213 -49.670 90.513 -48.410 66.671 -49.110 86.228 -57.543 131.885 0.776 93.680 -60.706 139.188 -58.142 93.368 94.282 138.978 -93.719 100.088 47.927 103.805 -93.352 96.505 -11.875 156.593-142.064 129.612 -96.446 116.981-116.690 112.093 176.939 148.369 -6.246 147.090 2.273 158.573-145.507 100.914 -35.097 135.002-133.641 97.240 -39.030 135.510-102.547 95.545 -42.753 145.918 -34.793 96.447 -40.575 98.431 -40.604 96.260 -38.084 133.507-134.041 97.655 -28.758 108.838 -81.491 110.900 -11.594 0.000 0.000 136.993-109.065 176.426 149.347 95.001 -15.012 129.298 -92.583 101.661-119.465 124.505-114.047 137.045-105.139 127.954 -81.122 147.589 160.348 167.051-152.858 96.654 89.852 138.797-115.901 120.089 -60.516 114.578 -84.131 99.478 55.401 148.351-115.041 127.473-151.279 114.364-113.515 96.517 41.258 122.793 -2.863 95.902 1.074 125.474 -54.156 150.469-143.472 131.008 -85.076 95.573 -49.265 128.613 -75.792 94.316 -31.071 96.136 -78.021 102.351-148.249 137.234 -46.407 116.653 -6.669 131.919 -85.863 93.212 71.725 128.355 -76.016 93.741-114.293 126.708-147.403 140.821 117.280 153.660 -86.415 98.295 -14.385 140.754-130.185 110.216 127.716 126.587 0.625 95.046 -50.534 142.842-118.975 94.525 -57.451 102.730 -86.792 93.426 130.816 143.621-121.734 92.556 0.000 128.447 -76.159 # 51 total E -1.10864E+02 rmsd from N 0.000 %NC 0.00 92.693 -22.456 131.591 -88.982 137.170-149.524 126.265 -46.000 105.318 -34.462 105.528 -77.060 107.142 125.259 152.082 -94.419 134.553 -66.589 160.869 162.295 95.216 42.282 133.014 179.077 96.541-169.526 131.800 -55.980 127.478 162.344 163.265-131.532 96.025 50.209 117.536-146.547 95.011 37.271 87.083 -92.465 96.965-104.161 165.137-165.181 114.132 -52.212 112.926-120.786 93.535 161.909 127.721 156.863 92.844 64.619 153.735-120.739 89.943 46.848 125.762-158.556 95.297-153.196 123.688 -86.279 113.568 53.957 136.011 64.814 93.297 102.133 145.150-156.744 100.030 -63.523 85.922 -81.884 96.287 121.771 112.682 -79.700 124.918 -33.091 0.000 0.000 88.073 66.233 128.647-106.036 90.609 17.574 124.171-117.937 101.830 -84.916 123.177-130.881 133.106-109.860 122.051 -78.264 130.382-107.762 174.363-158.890 120.450 -73.249 116.567-109.827 95.839 55.261 151.019 -21.132 111.243 169.704 144.284 -30.458 101.260-139.788 99.562-113.806 148.331-161.747 127.169 -82.674 91.041 122.399 106.928 104.413 99.821 -8.936 109.718 -78.886 95.736 -88.331 127.166 -75.244 86.650 139.260 139.860-122.291 94.870 37.797 111.332 -67.419 92.187 50.717 154.197 -40.159 91.394 43.272 128.306 -76.383 89.453 47.788 94.033 -81.138 90.632 60.666 129.225 -77.925 89.458 55.789 139.104 -90.012 91.286 134.190 132.831 -50.761 111.752-102.454 134.156 -88.024 95.130 36.066 135.550-136.351 110.512 20.866 105.310 -76.707 92.495 0.000 128.957 -76.420 # 52 total E -1.10777E+02 rmsd from N 0.000 %NC 0.00 93.308 -79.074 129.362 -81.674 98.499 -20.171 134.248 -83.472 97.932 -88.281 135.814 -38.839 93.805-168.481 128.822 -76.466 97.125 48.212 137.203-128.104 96.725 38.272 86.114 -97.857 94.863 96.671 119.130 -77.971 125.108 -49.820 129.931 -94.382 101.993 -30.269 128.261 -92.287 112.021-149.020 81.594 -72.255 102.794-109.275 170.475 -22.909 115.465 -79.410 130.865-143.146 99.549-147.916 136.881-151.162 140.295-131.424 149.330-174.449 121.153-109.277 142.324-150.881 119.841 127.379 151.812 172.649 98.842 -29.900 136.074 -98.716 97.355-126.575 135.594 -91.715 92.653 42.895 143.812 79.233 93.389 52.352 148.606-159.459 92.795 40.146 0.000 0.000 90.816 51.734 134.052 -6.612 89.520 55.630 140.069 -87.480 90.705 36.359 122.598-136.881 94.058-159.962 111.224 -75.108 123.962 -54.361 174.151 -2.246 117.100 -84.819 141.837-131.133 95.724 -2.448 116.261 -90.822 105.983-171.085 111.651 -73.800 132.652 -2.606 113.124-108.229 121.693 -57.044 119.008 -86.681 125.953 -77.880 145.863-169.600 121.663 -51.283 118.559 -77.644 91.386 70.995 131.150 -76.460 91.534 10.939 143.529 -29.648 99.460-101.090 143.877 -26.744 139.279 142.206 176.455-169.189 124.425 7.984 145.801-107.964 92.760 98.837 118.025-120.502 94.146 -14.881 129.689 -76.970 98.939 -76.135 141.763-145.563 93.676 -15.125 122.219 -13.823 105.695 78.374 153.618 -11.306 140.192 -18.912 158.971 7.275 133.406-162.316 153.439 -7.905 127.057 0.000 147.292 -89.859 # 53 total E -1.10770E+02 rmsd from N 0.000 %NC 0.00 93.031 -61.858 123.097 -65.467 96.210 -41.724 125.085 -66.907 92.842 -46.078 137.048-107.316 92.021 -43.491 127.544 -74.596 91.587 -49.360 149.879 -15.873 91.099 -41.583 105.695 -75.405 93.279 -80.352 88.168 -48.242 102.606-116.501 172.780 162.308 105.599 -13.751 122.606-108.840 120.218-176.476 87.867 -78.354 93.585 84.003 152.262-167.870 94.827 42.851 91.759-119.565 90.997 48.570 116.263 -85.131 91.190 58.807 148.160-142.167 88.706 48.812 125.485-141.925 91.593 157.151 125.335-110.994 96.249 45.289 134.545-127.289 93.030 56.125 140.582-109.141 92.565 31.702 142.559 -82.195 101.250-125.258 142.687 -40.189 90.163 -54.520 0.000 0.000 98.200 -51.533 176.423 173.942 106.179-115.047 156.546-144.459 103.252 -27.820 107.149 152.085 98.035 -64.501 141.811 27.004 118.990-153.601 169.868-157.942 122.479 -80.385 127.958-160.023 97.807 20.733 111.452 -86.296 111.468 125.650 150.110 -46.933 120.077-152.967 81.479-100.934 149.551 -43.141 127.027 -81.110 122.483 99.252 136.931-178.884 101.427 4.414 116.441 -79.992 94.552 -83.186 126.585 -75.617 82.515 -63.620 140.088 -21.614 92.259 -67.426 123.859 140.786 91.354 33.214 111.376-116.815 125.957-122.935 128.416 -88.432 91.002 179.751 121.677 -84.906 117.917 -34.006 140.069 -99.791 95.118 -42.645 141.657-119.503 97.229 -34.204 125.052 -23.026 95.609 -49.307 147.470 -40.243 94.013 -40.785 115.342 -88.337 97.677 72.749 104.457 -78.251 92.444 0.000 129.166 -76.502 # 54 total E -1.10755E+02 rmsd from N 0.000 %NC 0.00 92.873 145.423 138.299 -87.088 94.241 49.139 140.915-105.786 91.824 49.245 146.280 -14.620 90.807 49.368 130.798 -76.619 88.627 51.512 151.977 148.826 91.647 69.951 117.462 -28.786 87.456 -90.115 94.262 -57.962 94.773 -37.060 134.642 -72.935 92.344 -75.959 104.689 -59.568 84.756 -81.766 120.385 -38.525 94.648 -38.761 148.389-145.821 107.551 93.490 119.767-133.297 96.213 34.741 143.435 -42.790 100.443-177.424 139.739 -97.834 109.630 172.454 142.704-175.942 124.290 -99.437 141.984-149.818 93.422 56.272 136.909 -84.650 93.570 37.191 115.458 -62.754 98.539 110.206 156.202 151.255 125.754 91.946 153.875 -5.039 94.818 -49.807 0.000 0.000 93.276 -40.350 146.469 -7.310 95.935 -41.951 136.051 -76.726 92.235 -42.318 125.478-127.740 90.850 -46.166 112.395 22.433 92.346 -48.448 146.554 -48.044 90.592 -52.625 136.894-136.694 89.676 -58.255 139.667-122.676 94.868-178.166 150.173 -7.927 130.303 -9.489 110.585-106.385 100.518 -39.331 111.353 -78.402 94.540 -40.266 117.461 -80.666 92.611 -49.288 110.920 -77.856 91.084 -59.194 129.755 -76.682 90.265 89.164 109.408 -86.742 133.676-164.521 136.591 -93.384 128.546 86.731 154.083-158.226 93.943 -51.663 128.516 -76.443 91.685 -49.289 119.720 -38.184 93.878-123.056 130.362 -77.058 91.222 -45.292 143.523 -95.286 87.664 -62.566 115.519 19.820 90.496 -54.797 152.182 -21.987 90.732 -58.099 104.147 -80.251 92.635 170.526 105.798 -79.138 122.267 0.000 145.052 -79.747 # 55 total E -1.10596E+02 rmsd from N 0.000 %NC 0.00 93.161 -78.373 122.631 -63.086 95.932 -48.865 139.153 -94.089 95.179 -39.167 143.592 -24.293 98.959 -92.961 128.316 -75.720 117.450 -28.349 146.331 -15.441 93.908 66.991 176.423 172.650 93.637 23.450 113.303 -61.269 95.305 61.715 166.965 162.540 84.948 58.396 114.324-137.912 92.210 34.861 80.728 -93.507 96.104 48.567 153.248 -83.704 100.411 -4.546 97.718-108.560 110.791-173.920 108.131 -85.776 104.935 -48.045 142.789 167.530 92.713 -47.927 129.482-151.223 95.757 140.166 137.837 -96.190 138.978-169.240 144.540 -83.653 93.294 66.174 138.748-102.510 111.081-146.746 90.614 -46.447 116.524 122.037 162.618-165.738 93.107 110.163 0.000 0.000 144.828 19.848 175.657 145.667 117.374 -89.231 136.762 -93.212 91.140 61.359 110.203-118.920 91.479 53.888 111.902 -74.022 89.622 56.302 139.297 -90.422 90.368 36.910 136.203-144.725 94.820-113.977 142.673-123.169 97.040-109.109 149.246-121.521 93.118 -52.486 103.036-105.905 91.616 -45.318 108.940 -77.518 90.083 -46.680 113.614 -32.248 89.934 -47.093 114.087 -72.465 92.016 -45.750 129.550 -75.897 92.263 -45.804 134.874-136.250 95.080 132.969 121.222 -0.013 95.710 41.528 141.004 -32.882 99.294-108.622 128.180 -74.696 91.850-145.787 113.827-147.422 129.657 -3.811 151.329 -99.497 95.205 -49.342 142.854-167.263 96.310 -83.777 130.796 9.637 91.621 81.923 142.893 154.118 93.371 44.124 111.125 -84.422 96.058 34.153 144.908-121.061 92.488 0.000 129.328 -76.490 # 56 total E -1.10323E+02 rmsd from N 0.000 %NC 0.00 93.005 170.955 130.645 -72.225 111.696 108.462 120.997 62.570 98.831 -23.095 143.794 -29.658 92.999 -61.849 129.852 -76.455 92.531 -14.937 113.341 -84.346 108.683-156.846 98.172 -63.313 114.720 111.618 112.974 35.246 91.651 -60.980 117.944 -71.632 90.130 -54.736 99.868 -31.581 91.255 -44.785 130.493 -29.943 97.073-116.327 141.045 -88.804 94.034 98.315 94.394 -87.517 87.054 59.301 139.655-109.001 91.629 32.532 109.463-119.060 103.064 -88.529 105.246 -88.965 122.604 -71.704 153.764-138.650 114.467 107.105 160.144 130.685 102.522 50.297 139.742-105.632 125.397 63.912 123.830 -76.255 152.406-146.685 112.799 -80.322 98.820 39.411 0.000 0.000 120.524-167.904 102.160 -75.651 106.719 43.993 171.049-171.780 115.162 119.102 132.232 144.928 96.764 47.851 109.272 -70.608 110.752 -87.024 158.990 -31.133 116.738 -81.173 139.990-138.550 96.410 38.880 151.578 -20.573 107.861-141.903 151.002 -21.329 104.417 135.277 97.301 -84.906 93.122 44.703 114.654 -78.146 93.008 106.608 106.491 -31.369 88.202 -77.780 104.611 -73.310 91.152 -59.668 128.036 -76.666 88.858 -37.609 136.302-127.802 106.774 -80.265 176.448-149.580 142.220 -58.236 164.165-137.548 102.915 1.213 134.401-108.395 92.972 99.640 117.576-111.655 93.726 -16.765 127.480 -76.022 99.558 -82.349 132.730 -91.493 92.663-140.783 133.345 -39.470 134.321-131.112 175.907 3.686 100.150 -6.435 109.306 -84.774 120.982 84.812 102.387 -75.887 92.549 0.000 129.593 -76.606 # 57 total E -1.10186E+02 rmsd from N 0.000 %NC 0.00 118.819 113.035 145.264 -53.788 129.594 106.614 122.515 52.966 90.679 -52.187 143.551 -15.872 92.881 -46.089 127.642 -75.594 96.976-113.279 154.483-162.317 89.930 54.834 109.761-172.224 92.788 49.498 94.602 -65.912 96.497 161.536 139.627 -64.263 103.877 -97.435 137.552-174.436 96.192 126.942 111.652 169.764 116.502-118.501 130.004-129.169 95.394 51.357 123.037-144.966 95.865 37.154 98.157 -81.517 93.800 48.944 147.255 -31.169 94.630 40.132 142.752-140.886 93.807 46.458 124.875-119.666 95.100 61.297 121.533 -72.607 101.006 -94.603 113.619 -74.134 113.154 -22.502 112.104 -84.956 95.154 -49.588 104.164 -81.431 93.178 -45.007 0.000 0.000 92.026 -42.151 153.612 -5.175 94.849 -38.353 141.433 -88.246 93.348 -61.704 117.548-117.264 91.298-114.981 125.544 41.616 93.170 127.108 147.704 -88.357 94.019 42.835 138.069 -89.837 93.564 46.256 109.474 -85.234 100.412 -79.516 154.182 -35.626 127.219-135.439 101.367 -94.075 97.898 52.376 139.313-140.306 95.114 -7.718 107.653 20.387 129.249-154.401 143.453 -22.946 93.373 -67.284 128.029 -75.869 88.086 -74.997 100.201 -81.811 88.294 90.199 104.933 47.996 105.248 104.826 176.421-155.751 92.617 -15.935 130.388 -76.996 95.237 -79.047 81.013 -90.444 92.947 -24.557 130.219 -76.080 96.884 111.105 139.339-110.794 94.996 117.459 121.995 6.087 92.227 -58.245 143.707 -44.694 94.269 -41.979 115.967 -86.402 105.351 154.587 106.700 -78.688 124.719 0.000 147.547 -86.485 # 58 total E -1.10132E+02 rmsd from N 0.000 %NC 0.00 93.192 -86.884 120.062 -56.555 103.705 -34.950 147.573 -26.222 97.623 -47.309 106.708 -80.751 96.004 174.763 126.696 -74.873 146.855-157.047 163.136 21.306 113.400 -42.562 107.694 -79.927 98.129 30.865 108.979 -78.405 135.608 -72.066 131.116 -73.779 93.155 62.664 140.323 -93.547 141.419-120.794 99.127 -66.120 133.849 66.435 155.108-128.000 101.674 -48.556 88.879-106.549 95.423 -32.801 146.744 -27.631 93.099 -56.667 120.982 -80.329 89.255 -53.372 111.403 -89.496 88.591 -49.332 120.909-144.357 91.678 -36.672 148.783 -83.209 100.452-164.626 150.941 123.151 108.668 -29.457 102.752 -78.306 93.426 -67.042 109.744 -79.313 96.185 35.527 0.000 0.000 135.656 -53.301 116.051 -79.176 126.533-156.795 165.950-149.674 90.355 81.974 116.632 126.413 85.429 71.735 112.551 -78.516 91.388 46.235 129.167-100.818 92.354 52.037 142.218 172.008 93.936 -80.565 141.763-125.994 126.914 141.736 113.442 -79.859 134.239 -96.588 113.236-106.570 135.173 -7.523 117.629 -82.805 135.564 -2.529 122.485 -92.439 109.299 -21.603 112.572 -75.778 92.527 -49.464 128.316 -75.055 94.635 -40.383 112.603 -81.891 92.521 126.124 130.066-109.440 137.302 -97.460 176.441 7.208 101.217 176.493 128.929 -75.720 89.888 70.463 126.049 135.337 92.311 49.902 128.264 -75.977 92.675-112.623 139.119 -97.773 94.468 -51.605 123.917 16.182 91.615 -46.451 151.619 -42.428 94.043 -47.981 105.735 -81.835 95.929 163.756 106.149 -79.149 124.729 0.000 144.885 -87.016 # 59 total E -1.10077E+02 rmsd from N 0.000 %NC 0.00 93.616-146.324 136.437 -90.763 94.069 56.283 147.999-145.925 93.393 41.050 140.687 -9.493 91.881 60.345 132.331 -77.340 93.247 -2.793 139.966-127.335 115.681 47.265 120.791 4.371 119.580 62.878 129.021 20.355 140.335 -74.602 127.419 -75.343 90.476 53.949 105.216 -25.283 97.084 21.091 142.030 -44.805 104.422 43.271 132.795-106.820 97.736 35.274 90.922 -96.694 97.967 135.085 147.332 -41.592 92.785 65.532 133.708 173.915 93.083-129.110 150.698 -36.094 141.806 107.805 144.739 151.540 116.210 7.229 154.207 -88.829 93.496 56.281 129.083 26.765 91.542 45.646 143.345 161.440 90.453 49.897 146.871 4.208 89.229 57.677 0.000 0.000 88.927 31.303 125.816 -32.743 102.766-138.917 128.321 -61.621 92.464 28.487 114.658-170.689 126.072-173.574 121.284 -42.314 119.585 144.871 151.476 -7.139 95.872-100.554 139.975-103.851 94.815 46.990 146.780-157.206 97.221 59.311 145.502-123.688 98.492 133.270 89.055 -78.724 117.762-152.381 147.316 -26.254 92.346 45.037 100.421 -46.742 92.957 47.015 114.824 -75.971 91.082 44.115 130.809 -77.872 90.463 55.321 130.831-131.543 92.637 169.914 121.422 -72.647 92.244 120.795 145.295 109.887 90.940 -56.927 127.284 -76.327 95.769-157.659 115.146-120.848 92.543 44.627 131.253 -77.357 93.516 48.348 135.161-152.362 94.320 80.263 125.967 -8.274 89.381 -83.998 141.447-113.584 94.594 -41.656 135.942-135.829 102.139-130.794 107.066 -80.705 92.998 0.000 129.401 -76.337 # 60 total E -1.09972E+02 rmsd from N 0.000 %NC 0.00 123.450-122.776 150.456 -87.062 93.810 -53.033 107.942 -79.145 89.402 -69.138 136.000 -23.986 91.898 119.965 130.611 -76.388 95.910 75.235 149.177-178.466 97.400 -55.065 72.614 -76.226 102.863 104.103 113.022 -23.514 134.574-155.951 144.492 6.805 115.511-151.260 114.730 -31.033 94.369 -53.726 140.902-170.667 117.441 -63.374 175.798 -8.964 90.243 81.657 140.734-169.818 92.681 43.769 96.437 -85.270 91.485 55.578 140.656 -35.484 90.670 45.365 147.897-117.620 91.899 44.692 120.620-134.002 93.515 41.521 126.213 -72.754 99.190-168.606 110.043 -62.663 101.203 9.498 119.298 106.263 102.540 100.170 110.385 -80.451 103.585 -20.534 0.000 0.000 93.959 150.731 116.116 -80.876 97.491 92.433 135.974-124.017 88.100 122.028 101.069 -47.439 146.873 -34.428 125.332 -89.189 108.987 12.956 155.643-151.941 94.863 60.485 132.916-135.042 95.745 -33.010 149.513 -33.329 125.752 55.495 156.029 -12.384 127.414 140.946 112.236-110.475 143.304 154.411 176.417 -69.070 103.680 -73.025 109.013 -74.465 95.187 92.200 111.899 -74.447 93.988-145.942 127.957 -74.736 94.217 89.203 132.983-141.999 149.003-147.068 175.769-173.095 113.708 0.373 134.953-108.916 94.620 63.400 128.574 -76.801 95.053 47.917 155.593-127.289 92.822-100.480 130.830 -77.501 97.600 -29.606 141.409-141.055 97.320-106.557 142.770 -95.132 90.104 67.224 155.013-105.771 92.670 49.082 135.263-160.196 94.350 103.213 142.979-119.956 123.211 0.000 145.174 -90.331 # 61 total E -1.09935E+02 rmsd from N 0.000 %NC 0.00 93.138 156.816 141.095 -99.782 94.583 48.611 152.437 5.653 91.410 52.773 141.051-122.886 91.798 83.946 130.330 -77.034 90.235-169.602 152.870-155.951 114.862 -37.543 102.024-134.738 98.705 -27.177 119.452 -60.074 98.473 -44.600 126.817 -70.294 94.108 -42.559 155.539-151.353 93.138 -51.260 121.090-120.579 91.857 109.730 147.589 -35.269 116.827-147.035 112.287-114.818 91.525-170.299 151.521 -15.409 105.228 -29.519 165.669 -23.433 93.809 -58.181 144.676-147.470 93.370 -41.829 134.504 -96.071 99.929-168.381 150.702 -31.088 114.123-127.835 135.551 -82.672 92.423 45.210 77.504 96.995 90.819 69.772 142.120 -19.057 94.548 134.572 0.000 0.000 90.995-143.740 117.116 -35.062 97.855 47.743 168.577-152.103 96.240-159.608 125.221-153.439 97.864-121.073 118.166 -76.600 94.829 45.604 137.163-146.438 97.821 40.301 137.824-142.732 126.567 155.307 120.904 -78.547 95.456 78.585 116.355 -85.686 131.923 52.071 109.501-104.358 96.883 -52.262 112.125 -78.185 92.616 -41.023 113.767 -49.765 91.777 -46.329 115.133 -74.973 90.871 -47.291 127.762 -76.074 88.999 -43.583 136.323 -30.623 91.034 -53.668 145.925 -30.875 95.336 -8.193 167.808-151.578 116.689 -32.288 132.147-104.418 111.505-117.109 148.198-132.873 92.868 46.409 129.613 -76.343 93.838 45.811 140.526-107.379 94.592 34.887 124.735 -21.221 94.331 56.185 154.883 -24.558 88.943 44.905 139.633-161.135 94.921 134.618 147.017 -23.846 124.604 0.000 144.067 -90.576 # 62 total E -1.09814E+02 rmsd from N 0.000 %NC 0.00 93.124 166.831 135.895 -83.982 92.898 61.667 136.536 60.893 94.431 38.587 138.848 -24.385 93.663 48.111 129.674 -75.810 97.911 7.629 158.215-157.239 117.171 41.235 130.446 152.374 97.346 28.324 133.267 -29.058 100.815 21.837 136.810 -94.787 124.379-138.898 132.417 -90.099 114.144 166.926 129.178 -8.929 110.393 39.161 164.402-165.943 94.497 44.895 99.761-124.249 93.504 47.557 141.919-152.870 92.858 129.270 130.637 -51.807 103.688 7.615 142.600-161.262 95.403 82.497 137.015-104.139 96.163 0.979 142.237 -86.657 100.544 -93.676 145.861 -87.889 92.545 -41.898 113.845 -23.775 98.556-138.003 152.803 176.067 95.173 38.697 0.000 0.000 92.325 53.895 132.306 -8.176 92.747 47.508 149.422 -88.141 90.853 39.858 119.024 131.608 95.249-142.602 112.740 -77.222 106.216 121.925 149.334 160.734 128.240 43.527 137.341 -79.478 96.596 -62.650 146.877-138.539 95.608 -67.113 142.179-104.812 101.026 -44.052 126.774-145.851 92.403 -57.791 103.555-119.829 92.040 -86.847 116.375 -84.941 89.019 75.704 113.416 -76.114 96.098 49.895 128.030 -76.017 95.931 149.318 145.173-125.032 153.079 137.292 176.412 177.449 94.532 157.218 132.259 -37.111 138.497-148.230 148.503 -77.802 85.258 117.837 106.567-142.952 94.462 -24.816 130.153 -78.790 96.688 -62.610 144.449-132.482 92.637 -20.288 132.443 -36.727 105.944-106.957 167.266-164.878 92.404 -51.015 121.863-133.456 95.597 114.014 146.629 -23.733 123.568 0.000 144.362 -90.849 # 63 total E -1.09686E+02 rmsd from N 0.000 %NC 0.00 93.099-169.206 127.553 -62.713 116.060 144.545 150.772 -58.833 142.856 -72.195 112.305 -85.109 126.134 3.407 142.391 -81.647 96.558 37.261 116.474 -80.902 135.123-119.642 107.371 -79.050 96.925 36.932 108.517 -76.478 107.076 -67.497 136.084 -70.777 122.213 144.783 136.784 -85.924 105.935 141.277 128.303 1.407 104.891-102.261 128.082-140.147 91.065 59.504 102.114-149.671 99.264-169.642 126.490-123.535 139.406-178.429 167.219-170.887 130.727 76.833 109.452 -91.504 103.423 -23.904 154.461-146.763 96.121 -65.220 137.511 -77.808 92.745 -4.872 140.141 21.869 114.736-159.378 150.501-104.665 138.805 -27.546 112.055 -81.731 116.626 11.482 0.000 0.000 91.415 80.215 136.429 -30.406 91.528 85.475 127.520 -93.422 93.409 34.047 100.948-120.363 103.570 135.669 133.701 -6.851 143.441 -23.507 176.439-175.109 125.424 -81.736 142.615 136.139 95.159 -7.019 114.458 -91.525 98.588 95.633 110.304 -74.045 93.507 -30.256 102.223 -88.205 103.826 -62.428 125.207 -79.998 132.494 -17.435 141.660-129.472 135.820 47.385 122.030 -81.850 139.518 -72.564 145.723 -82.146 115.883 -64.798 136.412-112.852 95.349-137.091 147.029 -31.596 93.138 47.192 133.991 172.203 91.929 42.579 129.017 -76.783 91.675 46.232 126.053 -38.123 91.276 47.761 129.261 -76.734 90.388 48.769 136.215-128.348 91.189 54.479 128.620 -41.935 91.645-122.326 137.935-103.653 97.561 -5.461 150.648 -33.235 117.562-136.756 148.797 -16.618 126.152 0.000 146.616 -88.123 # 64 total E -1.09649E+02 rmsd from N 0.000 %NC 0.00 93.308 -72.829 130.487 -87.211 94.770 -49.179 126.128-111.381 92.119 -47.443 148.018 -4.625 93.481 -54.969 131.652 -77.776 109.211-156.908 148.470-137.951 96.536 48.454 105.705-167.156 93.788 21.001 93.183 -72.818 125.210 169.681 152.272 -38.865 128.888 173.154 175.057-162.468 104.370-158.620 118.106-165.499 116.685-122.023 176.464 -10.758 116.888 -2.326 124.662-133.048 96.755 54.732 127.153-120.606 94.408 79.468 138.791 -35.771 92.707 41.445 115.488 -97.010 94.023 46.693 149.843 171.135 96.703 22.482 131.803 -86.677 116.005 163.792 142.068 -36.502 108.351 34.226 108.788 151.292 98.630 37.743 109.984 -81.509 99.612 30.634 0.000 0.000 101.200 32.849 138.839 94.277 100.129 36.360 163.872-175.713 95.332 37.940 120.369-160.827 111.885 -61.453 117.985 -77.126 135.069-112.475 152.748 -11.534 111.322 132.516 104.225 -73.156 97.744 76.917 115.661 -96.549 110.931 -20.624 153.647-120.042 107.765 158.530 93.884 -77.560 98.066-128.078 131.126 -1.940 91.555 -44.231 131.563 175.113 97.569-103.559 112.542 -75.780 89.451 81.649 131.073 -75.944 86.724 54.341 109.701 -80.556 89.196 45.113 103.081 -73.606 91.160 49.827 138.254 -48.459 92.993 115.641 128.567 -76.753 96.410-133.199 101.652-126.573 91.349 57.680 130.206 -76.465 91.842 42.747 140.788-105.662 91.522 48.330 130.067 -29.459 92.206 44.614 138.727-111.808 97.417-109.076 133.833-147.902 119.672 97.006 109.611 -79.529 92.491 0.000 129.515 -76.508 # 65 total E -1.09607E+02 rmsd from N 0.000 %NC 0.00 93.105 -67.121 126.527 -74.795 93.891 -51.688 115.456 -73.629 91.573 -44.513 141.809 -33.858 91.162 -47.801 128.126 -75.686 90.647 -41.547 139.892-129.176 93.427 -42.528 64.483 -70.061 92.474 -39.690 133.525 -66.366 102.624 -32.864 172.283 159.040 96.451 -47.443 134.463-119.505 96.435 142.755 117.946 -7.324 124.705-166.130 143.245-110.986 101.259 -51.845 96.586-119.331 101.669 136.300 146.690 -24.200 89.993 -65.771 132.503 -90.103 88.590 -62.851 105.334 -84.679 87.037 -60.997 155.831-171.794 89.331 -45.875 127.229 -63.581 92.142-177.890 117.409 -71.778 95.775 54.709 136.022 168.702 94.058 31.677 141.106-167.378 96.959 85.791 0.000 0.000 94.220 -12.863 144.313 -24.709 106.578 -98.780 136.600 -72.374 91.146 39.694 98.264 -88.931 128.248-170.084 114.764 -80.326 121.794 141.325 160.183 157.301 96.967 -79.654 137.064-104.508 97.021 61.109 148.638 -19.268 100.926 52.758 156.691 -8.856 100.606 123.328 124.267-140.831 126.306 20.647 124.499 -85.511 100.431-132.570 113.269 -27.664 104.568 115.249 123.465 -78.775 90.921 -46.511 126.590 -74.891 88.041 -49.469 102.830 -71.759 90.746 -45.950 136.246 -16.385 91.454 -49.136 146.336 -43.462 92.991 82.569 129.032 -76.377 123.444 99.022 125.217-114.608 143.894-127.971 150.941 -84.977 97.290 -30.743 142.762-126.320 92.621 -60.295 129.146 -18.865 91.059 -77.419 162.461-142.337 89.557 -46.161 120.350-148.457 95.321 84.012 143.724-122.580 92.378 0.000 129.294 -75.915 # 66 total E -1.09598E+02 rmsd from N 0.000 %NC 0.00 123.742 -93.815 147.594 -38.669 130.508-117.477 127.671 -57.219 100.895 152.849 142.216 8.067 111.828 -98.108 140.191 -87.436 116.302 67.117 107.195 -85.646 112.146 -32.323 65.117 -76.038 92.900 -58.807 122.671 -27.767 102.663 -27.161 123.238 -48.862 94.862 113.067 145.977 -41.506 91.719 16.823 127.210-168.364 124.538 154.642 158.109 -10.671 91.784 70.698 136.006-160.923 87.686-116.299 126.061-132.049 95.388 -40.114 124.929-177.196 93.902 -50.911 156.026 -24.922 95.590 82.905 149.144 174.846 126.507-117.624 147.216 -69.883 108.312 114.328 141.526 42.009 111.734 23.284 97.526 -92.268 114.007 74.176 145.921 -26.689 121.807 144.334 0.000 0.000 123.896 -78.198 136.233 92.768 94.299 51.251 166.352-156.684 92.806 42.585 100.101-130.979 91.796 48.933 116.421 -75.069 92.818-131.038 150.447-122.704 93.343 124.086 140.492-111.501 114.234 -62.139 146.971-140.210 126.186-137.738 107.678 -78.741 95.698 68.394 128.843-152.982 92.501 51.177 113.377 -77.839 96.053-171.870 115.002 -41.996 99.569-172.791 132.096 10.180 138.904-103.877 132.492 -78.477 91.579 -34.678 138.834 -14.714 90.961 -60.716 146.903 -35.114 89.348 -46.930 145.757 -90.431 91.057 -41.212 129.332-100.503 88.766 -57.343 110.955 -51.983 89.191 -61.104 128.877 -75.632 88.159 -34.642 150.682 140.315 94.125 -59.282 127.640 -23.933 94.023 71.056 155.123 -17.982 118.474 59.508 154.730-168.417 100.532 52.020 96.827 -76.385 92.279 0.000 129.798 -75.477 # 67 total E -1.09505E+02 rmsd from N 0.000 %NC 0.00 92.675 62.108 137.298-101.755 133.135-173.747 140.848 -21.855 121.079 13.518 107.247 -80.982 93.806 54.248 128.200 -74.297 101.673 153.464 157.165 10.499 109.018 -88.087 106.790-135.029 90.562 118.282 104.248 61.825 91.771 -30.149 125.726 -72.418 111.437-120.578 104.677 -61.849 86.009 -63.109 120.561 -34.958 92.840 -68.965 153.857-109.952 92.913 -48.580 92.027 -91.434 91.374 -27.836 138.904 175.740 113.493 -91.495 143.288 154.868 94.746 57.400 154.326 -51.596 94.144 59.071 136.995-118.140 92.982 21.360 107.963 -96.552 106.390 144.796 131.379 -1.630 96.446 111.104 101.530-175.250 98.052 -33.154 148.112 -29.867 95.126 -65.556 0.000 0.000 92.443 -13.182 148.385 -11.651 106.371-107.063 136.152 -80.363 93.111 68.479 125.116 71.120 94.849 148.070 112.949 -75.970 94.398 47.323 153.184-158.845 93.123 42.686 139.451-114.769 93.717 51.266 117.278 -88.995 95.071-103.120 148.120-105.103 108.732-116.947 89.921-112.855 100.200 37.582 135.642-162.707 92.934 47.585 125.668 9.666 92.620 41.638 134.448-158.298 93.599 61.633 129.948 -76.564 89.679 130.847 115.221 -91.812 142.542-109.435 143.010-125.929 134.565-132.134 133.751-121.122 98.392 -53.451 128.944 -75.956 95.336 162.178 123.873-172.692 103.014 -75.677 130.197 -77.862 92.110 73.047 140.412-109.427 91.628 46.439 134.196 -52.913 91.354 53.966 154.262-153.125 90.172 40.414 151.360 -33.511 96.214 102.706 104.603 -80.507 122.897 0.000 145.249 -90.634 # 68 total E -1.09449E+02 rmsd from N 0.000 %NC 0.00 93.286 -96.462 124.806 -68.446 94.921 -51.065 107.616 -74.450 96.043 -37.695 140.730 -14.157 96.496 -29.135 131.533 -77.758 106.460 -29.491 150.202-165.776 98.454 -43.639 84.271 -79.219 94.833 151.438 99.242 11.494 93.628 72.053 143.651 -61.084 91.991 32.766 159.868 172.975 93.780 54.241 117.476 -74.055 92.455 -59.900 138.523-106.007 128.220 -58.854 108.598-104.138 115.332 -10.079 151.235 -13.957 131.173 -12.304 169.728 0.668 128.718 -99.629 114.900 -82.721 93.738 46.811 144.180 154.346 91.834 45.206 138.431 -86.507 90.581 62.274 140.734 -97.047 93.566 123.541 114.958 166.339 92.556 -26.558 109.544 -81.317 97.271 -62.300 0.000 0.000 93.243-122.356 152.828 7.212 136.236-123.847 141.923 -95.367 93.241 55.587 113.209-136.879 92.377 43.445 110.938 -72.986 95.934-168.017 151.953 -33.216 98.474 -70.708 137.644-115.920 93.599 89.251 153.976 -11.849 94.676-125.717 140.990-106.322 109.460-112.188 97.888 -89.778 117.073-103.861 114.510 -79.651 93.340 108.544 101.457 85.287 93.072 50.859 111.227 -73.786 95.728-113.512 130.542 -76.969 114.524 -44.299 99.411 -82.499 88.599 84.708 105.073 33.025 90.458 39.582 132.525 -49.398 94.217 53.688 130.391 -77.172 124.094 -24.771 142.004 18.700 117.557 41.644 151.882 -81.030 96.165 32.342 130.856-101.155 94.024 53.230 134.331 -15.151 90.455 53.065 131.101-119.610 89.603 37.934 108.680 -92.824 96.329 91.673 143.840-118.011 121.565 0.000 145.616 -87.931 # 69 total E -1.09362E+02 rmsd from N 0.000 %NC 0.00 92.689 115.530 137.296-102.550 132.024-124.312 137.065 -47.956 98.404 -16.602 111.343 -79.907 99.180 -85.129 129.913 -77.089 126.142 -78.350 96.572 -71.144 93.930 59.758 109.470 -6.270 91.752 41.549 158.684 -87.542 93.359 45.450 168.771-134.545 93.451 42.100 116.454-118.656 90.060 45.711 147.178 -4.053 96.022 58.586 123.472-131.185 126.270 -43.202 112.611-112.321 93.336 78.073 102.557 -82.891 92.235 -11.895 118.719 -77.616 122.644-103.812 160.470 -30.082 125.503 -69.971 146.644-123.101 140.197 103.972 142.316 40.774 92.765-150.655 144.208 -79.112 97.384 42.881 139.683 -43.808 95.071 43.165 140.987-158.185 95.921 39.342 0.000 0.000 94.669 38.490 127.664-102.053 97.797 37.961 131.294 -99.794 95.335 37.250 119.442-116.904 95.373 40.243 121.101 -80.811 93.803 47.300 143.814-126.641 92.979 48.326 140.550-132.482 92.961-126.419 145.436 -31.713 98.531-164.824 150.383 -17.558 119.768-119.339 121.831-129.936 124.024 -86.680 121.250 -80.773 103.530 21.687 135.981 41.377 94.954 68.196 113.517 -75.038 92.699 19.094 128.529 -75.520 101.203-109.410 151.212 -10.641 96.990 -30.818 123.352 -93.854 97.045-156.915 111.869 -67.434 93.108 84.526 129.175 -75.321 91.879 -85.289 126.807-147.543 94.519 113.982 130.132 -76.711 101.249 -4.327 143.326 178.478 96.406 80.701 143.651-143.322 90.488 1.400 138.103 -78.163 108.297-100.709 108.628 -87.116 95.194 165.322 144.249-127.085 127.001 0.000 142.711 -94.524 # 70 total E -1.09236E+02 rmsd from N 0.000 %NC 0.00 93.069 -68.429 123.928 -62.469 134.766-121.077 141.565 -62.045 93.190 60.552 145.914 -26.138 92.483 67.339 128.276 -75.360 102.325 -92.158 171.738-165.004 96.991 -61.567 93.575 -90.078 94.212 25.441 108.598 -95.630 128.193 6.254 137.129-101.727 145.856-109.798 176.464-157.298 99.254-150.243 97.214 -76.878 138.306 -59.945 149.705-169.458 109.998 16.648 120.923-134.016 96.490 165.914 101.566 -82.528 130.376 93.396 171.666 -3.018 116.500 57.962 158.427 -17.522 97.860 -47.078 137.157 -96.227 109.202-119.720 144.710 26.485 92.709 51.001 112.852 -46.320 91.748 47.232 140.797 143.653 93.164 46.290 144.192-143.311 96.257 34.930 0.000 0.000 94.419 109.485 137.619-112.244 133.687 107.680 155.990-163.696 94.650 -22.795 116.524-162.240 94.937 -83.130 113.183 -73.740 108.927-110.435 151.195 -8.984 95.833 -39.564 135.771-139.639 96.790 -39.890 105.465 -82.061 104.386 -22.817 153.111 -18.557 101.865 -43.688 96.590 -88.335 97.241 -26.620 119.216 -78.853 102.303 -44.612 140.394-129.223 112.150 -92.597 115.969 -74.031 93.459 70.959 127.917 -74.876 90.059 100.822 138.068 178.709 92.270 19.288 99.627-100.311 103.048-154.765 127.424 -66.837 106.581 -12.316 147.659 -90.181 104.452 -67.179 145.686 177.295 119.155-168.602 149.366 -79.608 97.986 -42.193 133.056-125.806 95.419 153.615 134.718 -60.070 95.872 -61.708 146.979 -41.174 93.343 -55.444 139.011-120.772 96.832 102.000 146.922 -22.157 92.471 0.000 129.018 -76.151 # 71 total E -1.09066E+02 rmsd from N 0.000 %NC 0.00 124.959-166.397 144.232 -44.201 117.919-106.038 130.970 47.085 150.842 161.427 111.638 -83.744 98.402 -96.481 130.127 -76.917 127.532 15.932 150.366 134.339 93.761 57.796 121.892 32.080 90.527 37.530 102.494 -90.680 92.167 49.783 128.086 -98.372 90.324 62.011 151.772-170.752 86.543 140.334 121.016 11.227 94.510 -20.725 132.027-137.705 101.230 -61.995 89.417 -95.887 91.558 -62.870 109.213 -80.345 97.621 125.579 141.548 143.006 96.184 110.282 139.281-135.203 135.945-150.999 135.958-113.573 97.449 123.817 138.360 -85.253 93.419 -40.950 130.143 -82.140 94.668 -54.485 116.167 -73.720 95.496 -24.032 104.426 -76.854 101.340 -58.051 0.000 0.000 94.326 54.840 144.143 -26.528 131.952 -91.875 136.502 -82.288 111.792 8.071 143.547-153.503 93.197 -68.990 118.312 -28.675 95.314 -24.786 155.738 -22.307 96.896 107.437 139.463-128.232 113.582 21.970 158.169 -17.902 124.112 103.279 123.654 -85.670 100.046 -58.925 119.972-133.763 93.916 -34.905 115.435 -77.418 96.017-116.956 112.329 -15.073 95.262 40.887 133.728 17.390 92.616 61.598 130.694 -76.706 90.465 29.307 103.119 -78.157 94.113-119.661 114.401 -43.420 90.539 -55.792 170.118-148.366 92.584 -46.147 128.927 -76.277 92.932-176.897 114.471-132.500 122.205 -72.733 141.987-102.219 93.834 -41.376 142.462 -96.501 91.943 -46.986 131.203 -17.111 92.942 -52.508 164.740-151.949 91.212 -42.328 126.262-160.556 96.386 144.629 144.479-123.811 124.139 0.000 143.921 -87.800 # 72 total E -1.08834E+02 rmsd from N 0.000 %NC 0.00 92.991 153.385 139.477 -92.558 93.614 50.667 113.475 -32.497 93.748 47.024 108.999 -77.122 92.218 45.617 129.924 -77.035 92.591 49.575 103.894 -82.012 95.260 -87.800 78.846 -65.722 118.904-128.076 131.398 9.137 122.706 60.753 162.110-104.363 116.652 -7.224 120.883-113.337 89.110 73.625 119.458-122.851 92.895 4.595 116.120-117.485 110.166-106.481 90.148 -75.943 95.880 -70.869 149.556 -12.519 142.687-128.113 171.915 178.446 115.646-100.160 137.223-150.737 94.775 44.243 138.776-104.562 92.526 45.837 132.321 -72.000 89.899 54.515 149.721 31.943 89.888 47.593 107.686 67.875 89.370 47.584 146.918 -21.671 92.175 46.250 0.000 0.000 94.814-125.214 138.013 121.766 122.076 6.992 131.880-119.132 93.430 -66.051 127.626-148.540 93.452 -32.543 120.588 -72.510 98.554 121.269 154.528-164.281 92.874 111.443 145.551 173.608 128.028-117.481 105.045 -87.971 95.843-119.718 147.864-119.197 94.346 47.737 101.493-130.856 94.226 47.659 131.923-174.095 92.986 105.095 107.765 -21.310 129.446 -97.874 148.731-101.510 98.522 -22.600 127.516 -76.725 119.633-153.863 109.480 -80.785 92.297 75.532 151.514-143.182 91.647 52.963 122.663-136.485 90.884 76.243 127.131 -74.366 92.620 -90.011 70.261 -96.163 98.761 -33.810 129.679 -77.239 105.429 -23.009 134.222 69.581 96.023 -51.528 134.072 -25.375 92.431 -54.489 153.769-177.406 90.329 -35.942 131.690-158.027 98.750 141.503 145.798-128.053 92.579 0.000 128.802 -75.972 # 73 total E -1.08787E+02 rmsd from N 0.000 %NC 0.00 120.093 -48.760 151.708 -75.838 135.528 -4.642 143.073 -97.736 98.949 -39.831 112.625 -78.653 100.275-156.353 128.544 -76.290 107.950 21.181 131.531 103.965 92.755 58.987 132.702 17.123 91.294 24.440 121.968 -35.838 99.766-106.238 145.839 -76.488 115.484 -63.299 140.868-135.846 95.411 137.765 94.873 -88.232 126.287 65.919 149.555-115.913 115.483 -18.579 121.090-130.529 93.460 73.477 109.651 -89.290 94.900 3.819 115.403 -94.555 107.065 71.691 114.791 -86.645 132.868 -79.091 134.300-123.006 131.094-133.791 132.680 -86.878 104.096 131.342 138.000 74.500 111.711 -24.086 71.927 -91.760 95.277 -43.577 108.674 -79.272 104.889 -12.288 0.000 0.000 125.263 -16.024 169.460 153.136 120.739 -26.878 137.581-101.058 103.824 -25.701 123.557-116.437 114.884-158.666 119.120 -78.782 141.240 102.512 158.769-158.748 96.125 -9.899 140.475-130.657 107.003 151.491 112.274 -81.600 114.230-170.482 155.716 -28.277 93.812 95.723 101.673-136.521 94.752 -50.719 107.316 -76.688 94.243 131.954 151.606 -35.622 141.442 -60.748 119.896 -80.971 92.253 43.353 129.374 -76.426 96.332 36.479 102.975 -85.865 93.511 44.919 128.317 -80.706 91.869 44.400 119.992 -86.120 91.870 56.961 131.254 -78.618 92.313 173.220 86.122 -68.743 132.466 102.525 139.881 -83.576 95.692 37.583 139.649-177.297 95.251 56.793 125.185 -43.673 93.359 25.923 142.144 -87.731 107.373-122.013 144.186-132.984 93.469 101.169 142.886-123.824 92.458 0.000 128.719 -76.242 # 74 total E -1.08651E+02 rmsd from N 0.000 %NC 0.00 123.711 -91.048 147.133 -33.583 125.256-139.686 143.434 -65.001 122.124 108.223 146.915 -7.475 93.363 -34.907 129.783 -76.743 106.397-164.215 113.295 -83.010 144.081 158.727 150.383 130.882 95.244 -38.893 97.048 -75.332 92.648 -48.200 124.414 -69.866 89.806 -69.575 133.814 -74.173 89.642 130.674 120.448-153.060 112.116 46.825 172.028 -9.776 93.554 35.198 93.126-105.133 96.882 50.702 143.581 -38.914 107.406-104.645 139.117-108.338 119.058 -91.126 109.181 -87.216 111.525 23.700 150.358-109.403 94.023 54.648 136.970 -73.451 91.159 51.340 112.310 -27.241 94.331 60.662 106.807 43.369 90.401 112.781 142.128-160.872 95.529 -43.000 0.000 0.000 99.352 -44.163 106.562 -78.833 97.320 -38.889 134.446 -64.643 94.970 -50.957 108.403 -78.026 91.151 118.730 113.410 -81.782 118.313 44.216 176.450-163.606 94.113 35.630 133.100-155.622 97.035 38.633 152.774 -29.386 116.394 -46.458 111.947 -91.776 128.885-102.702 107.462-101.337 103.089 165.808 137.963-163.720 144.312-139.914 122.355 -35.766 110.881 53.758 116.707 -76.081 99.598 -85.887 127.040 -75.313 94.582-127.873 135.980-121.057 93.977 41.931 139.843 -35.903 93.863 52.168 124.612 -81.715 92.769 21.782 129.899 -77.240 107.199 135.410 151.232-165.663 92.644 44.614 149.291 -95.762 92.579 47.752 140.803-110.745 92.215 58.557 127.854 -22.073 92.626-160.296 140.620-106.537 95.014 63.361 140.149-144.692 97.129 75.293 99.436 -78.495 92.499 0.000 129.018 -76.633 # 75 total E -1.08586E+02 rmsd from N 0.000 %NC 0.00 93.288-146.833 130.297 -70.140 93.795-132.844 121.957 -33.499 97.767 48.442 105.809 -78.228 93.432 43.745 132.300 -78.484 99.793 117.678 158.797 176.081 125.994-112.232 120.501-138.499 91.927 108.394 101.940 -47.331 89.751 -72.099 121.744 -89.427 88.091 -56.154 90.982 -39.977 91.495 -33.942 138.815 21.627 97.673 -48.301 152.961-105.139 102.809 -35.162 128.568-147.221 107.384-123.878 106.997 -84.707 138.855 48.159 175.496-175.698 95.551 39.699 154.044 -37.022 92.724 47.202 147.462-102.439 91.392 50.942 137.757 -53.821 88.759 50.081 155.090 134.935 91.722 63.020 116.733 -85.590 89.955 -86.671 138.765-106.227 105.914 -45.700 0.000 0.000 105.352 -16.660 110.685 -81.703 100.513 -50.391 142.390 -74.565 94.648 12.441 99.043 -80.793 138.162 -18.936 124.638 -86.167 133.921-172.284 148.485 -87.532 108.541 93.088 103.167 72.798 94.298 -69.493 105.035 -88.483 96.560-116.629 148.246-117.558 130.254 162.906 113.890-110.962 95.973 50.666 131.273-146.586 93.935 22.953 122.337 -77.609 109.983-160.067 117.775 -77.470 113.798 41.306 149.244 -88.010 98.508 152.969 99.417 -81.326 133.392 71.106 156.102 -1.313 110.411 -25.986 160.565 -21.764 91.177 79.374 131.187 -77.420 86.136 69.433 77.803-102.452 90.313 52.744 127.686 -75.605 89.342 45.082 138.786-112.151 91.621 53.315 129.817 -41.741 91.993-134.646 131.829 -61.248 96.514 21.948 149.726 -33.831 123.386-148.866 147.699 -20.499 122.099 0.000 148.173 -77.084 # 76 total E -1.08557E+02 rmsd from N 0.000 %NC 0.00 123.896 -89.857 147.150 -41.936 95.206 -46.351 117.579 -68.834 92.487 -43.417 101.008 -80.538 90.107 -51.532 128.738 -76.257 90.936 -60.160 102.743 -70.834 88.129 115.520 133.880-103.695 95.282 33.908 119.524 -57.600 98.394 41.506 133.151 -83.719 94.736 37.651 105.581 -26.840 90.578 52.169 156.568 -10.782 92.441 49.966 110.120-128.973 94.185 45.149 99.139-102.428 95.983 134.648 109.064 -86.441 145.709-166.726 176.440-168.256 114.166-108.187 142.067-152.718 110.906 130.104 140.044 138.653 97.166 -36.140 138.918 -94.239 91.949 -53.308 121.908 -51.873 91.597 -40.898 133.804 -39.126 92.749 -47.596 103.917 -82.380 91.191 -41.519 0.000 0.000 94.834 -38.767 106.850 -80.240 95.910 -42.384 146.276 -80.568 96.001 -78.562 109.115 -98.599 94.900-159.299 112.010 -72.943 113.450 18.627 147.110 -98.238 95.591 -66.096 145.866-158.920 94.769 -11.593 154.489 -19.893 104.473 120.557 111.628 -76.064 129.562-102.522 107.391-103.022 110.380 -28.897 119.275 -82.801 126.185-106.114 129.283-168.002 97.577 24.795 131.497 -52.831 94.559 59.981 129.930 -76.676 88.905 88.921 132.688-130.315 117.412 40.992 124.548-131.554 93.711 -67.817 133.684-117.588 95.025 -19.596 128.405 -76.244 101.975 -64.565 126.994-102.301 121.072 177.257 152.872 -96.209 95.902 -39.145 140.148-140.426 94.461 -82.190 125.484 -5.581 94.896 -6.573 169.006-163.727 102.534 102.859 154.777 -19.690 95.300 122.615 146.572 -24.545 124.084 0.000 144.324 -91.382 # 77 total E -1.08428E+02 rmsd from N 0.000 %NC 0.00 126.150 107.580 135.133 -14.225 97.219 32.600 138.807 -82.868 98.388 52.482 142.433 -9.055 94.003 -23.525 128.959 -75.370 137.270-173.265 135.155 5.066 98.002 -51.818 150.577-155.788 96.733 -37.924 107.948 -61.857 96.729 104.071 133.037 -69.352 106.020 75.416 132.271-110.753 147.988 35.118 176.426 11.158 107.211 -25.912 148.673-139.826 100.426 -42.834 93.330 -96.591 98.245-128.932 145.592-144.813 141.544 78.834 141.083-143.322 104.959 4.563 163.233 -27.616 93.364 -81.132 135.303 -89.477 90.942 48.189 140.579 111.615 121.104 -51.775 143.041 127.075 140.194 109.356 94.040 61.693 116.504 42.984 112.878 -80.792 126.005 -20.924 0.000 0.000 115.511 103.869 144.420 -8.629 120.326 10.633 166.696-116.921 92.044 -68.041 117.692-127.647 91.031-175.810 126.121 136.178 109.330 -55.539 133.799-120.368 95.060 65.399 138.164-121.331 121.449-107.769 109.676 -90.303 120.655 -70.311 115.921 -86.732 118.554-119.388 124.408-132.456 111.620-161.651 117.373 -77.358 125.063 130.032 127.176 163.968 114.134-116.101 113.475 -76.654 92.201 48.964 128.734 -75.510 93.760 40.797 138.553-138.273 92.359 45.136 143.002 -25.590 94.207 39.153 129.758 -91.405 93.676 43.862 128.285 -76.966 93.733 54.679 103.767 -97.696 93.416-114.631 129.438 -77.173 95.661 -31.404 140.687-116.540 91.807 -62.074 133.868 23.257 91.068 -55.705 158.457-137.896 90.142 -42.386 124.218-137.350 96.598 119.250 144.429-124.626 121.119 0.000 145.564 -82.979 # 78 total E -1.08281E+02 rmsd from N 0.000 %NC 0.00 124.515 104.602 137.912 -16.588 94.123 60.681 145.518 48.235 95.889 27.792 144.845 -22.484 94.429-122.263 128.886 -75.644 90.480 -60.827 133.051-138.233 87.000 -57.640 72.560 -82.923 89.089 -89.961 121.423-112.232 84.392 98.225 142.618 -59.769 92.265 22.395 144.937-158.824 105.706-138.229 124.031 174.024 108.213-135.827 166.819 -19.892 104.243 -77.245 107.865-100.609 98.354 85.757 138.087-148.178 91.619-112.822 105.346 -49.526 87.542 -53.946 146.736 -39.479 92.149 -47.265 114.886 -93.158 92.018 -49.793 133.899-109.071 94.513 102.499 135.658-176.667 110.964-113.361 128.109 -21.277 109.963 173.544 109.521 -77.192 116.326 -19.289 0.000 0.000 94.413 114.809 124.964-102.617 126.884 -63.398 120.408-108.099 90.656 60.950 113.218-126.232 92.639 38.535 113.942 -79.813 94.902-134.693 141.058-104.538 100.257 -64.905 137.611-120.617 112.503 136.125 117.577 -83.023 108.363-157.223 145.166-107.418 124.337 107.292 123.483-130.091 128.239-137.927 122.568 -79.635 91.711 69.999 129.906 91.184 94.469 74.788 110.722 -75.406 90.590 -90.935 127.722 -75.708 94.721 -33.529 144.237 -17.656 90.884 -64.471 108.767 -71.029 86.997 -19.085 144.177-153.394 113.051 46.992 129.360 -98.733 140.657 128.980 145.700-123.156 142.776 145.450 145.951 -67.405 95.992 8.589 141.016-115.486 107.491 123.725 125.335 -18.968 94.871 -54.001 145.082 -39.114 93.130 -54.114 141.642-124.520 96.724 169.142 144.785-125.873 119.118 0.000 145.231 -72.999 # 79 total E -1.07903E+02 rmsd from N 0.000 %NC 0.00 92.797 157.763 126.376 -59.820 120.614 105.307 117.752 62.117 95.992 -30.114 102.743 -78.162 91.943 -54.756 127.932 -75.817 99.875 -2.350 107.858 -76.208 105.401 -51.030 87.597 -49.067 89.935 -23.550 134.885 -47.340 112.041 71.635 138.120 -99.179 143.402 -96.811 176.446-170.617 98.479 140.607 98.177 -78.158 96.880 58.435 155.439-149.977 92.937 41.657 124.143-147.915 92.712 45.252 99.171 -84.629 92.516 55.326 143.955 -40.011 92.496-159.967 140.514-138.624 101.147 -63.099 115.358-159.529 95.434 68.107 138.153 -89.173 114.118-135.806 140.642 -62.712 95.618 46.210 137.157 14.043 99.784 123.608 146.682 -1.853 145.926 50.024 0.000 0.000 104.796 0.528 110.627 -85.990 95.995 -79.503 127.372 -64.717 91.566 53.835 121.694-115.054 114.631 -75.207 114.126 -75.828 110.118 -14.878 150.455-178.902 96.429 -51.429 135.199 -68.748 93.670 -32.832 108.960 -90.719 97.541-144.608 150.985-138.102 107.060 -47.499 117.893-130.653 94.891 -35.262 116.976 -77.707 101.524 -26.802 136.264-132.331 113.121 -58.614 134.474 33.534 112.572 12.530 146.410 -77.807 98.606 114.986 150.841 -16.024 93.961 120.108 97.810-123.561 94.707 -37.340 118.193 -89.952 92.969 -58.223 128.082 -75.673 91.334 -11.267 119.225 -98.370 118.810 127.413 141.932 -72.440 109.803 -38.157 129.963 150.207 123.716-168.240 165.288-156.646 105.912 49.772 155.827 -22.635 92.304 39.336 144.429-149.325 96.405 79.233 143.365-123.197 92.479 0.000 128.614 -76.566 # 80 total E -1.07811E+02 rmsd from N 0.000 %NC 0.00 125.904-130.750 143.000 -31.582 94.929 13.564 135.888-104.105 109.578-157.353 145.986 -27.502 126.103 -82.035 137.228 -68.351 101.001-172.613 149.023 -0.046 116.900 -81.960 117.442-134.805 91.452-168.897 85.092 177.999 139.704 141.405 159.431 -84.887 92.222 98.309 95.969 38.109 91.295 -22.316 109.643 -79.888 100.452 -84.614 129.196 -93.190 86.951 -58.191 94.904 -78.433 92.085 -27.925 107.833 -73.335 104.099 -54.983 138.686 -92.102 100.058 -92.253 106.665 -87.190 126.355 158.489 157.213 -64.437 96.742 -34.096 152.874-101.346 96.525-130.115 128.541 -89.437 92.518 46.184 160.201 -93.297 94.079 45.959 138.672-134.221 93.321 49.454 0.000 0.000 97.930 25.581 101.338 -86.624 95.925 53.093 176.420 158.387 91.539 37.598 106.242-144.633 92.848-124.434 110.216 -76.958 120.581-142.396 169.801 -4.363 105.892 -38.574 115.230-151.603 95.287 -69.159 103.004 -83.732 104.428-141.630 149.925 -23.648 120.037 -96.882 124.097-130.410 125.323-141.449 112.180 -83.860 92.968 107.544 125.418 100.208 111.347 13.937 116.069 -78.069 92.749 -72.510 128.596 -75.811 92.118 -5.023 103.905 -77.824 110.847 170.650 141.184 -24.847 110.582 143.641 148.254 -21.943 124.050 8.601 143.783-101.423 97.762 121.015 108.412-115.811 129.389-134.111 150.342 -84.806 96.210 -33.607 143.330-148.261 95.113 -88.418 142.201 -94.541 93.085 85.197 151.496 -22.462 94.802 49.541 142.438-160.321 96.455 94.349 145.906 -23.235 119.692 0.000 146.554 -82.318 # 81 total E -1.07534E+02 rmsd from N 0.000 %NC 0.00 92.621 131.862 128.863 -60.823 95.376 45.092 138.900-120.428 92.238 47.366 148.898 -42.451 90.820 65.516 128.827 -76.197 86.846 60.738 96.747 -67.243 92.214 33.463 79.784 -65.710 92.522 52.833 161.460 122.106 94.700 17.532 113.205 -94.491 107.452-170.734 128.031 -76.278 105.618 12.793 124.419 131.296 111.919 55.445 173.086 -10.815 110.674 27.801 121.042-131.075 98.576 122.253 145.805 -23.840 119.211 116.776 150.782-130.986 125.306 110.107 143.732-175.412 100.584-124.555 122.101-110.166 93.874 42.270 137.058 -84.242 91.619 51.765 129.600 -45.798 91.019 45.440 115.103 -16.304 90.563 52.330 151.278 -19.131 90.264 43.117 0.000 0.000 95.422 98.566 100.560 -78.480 96.594 -21.730 141.530 -73.692 99.432 -79.535 125.072-114.113 94.375-156.064 113.639 -75.290 131.446 153.683 162.297-152.847 96.435 114.355 139.264-110.062 122.661-130.647 109.664 -81.763 120.584 128.832 149.781 -18.505 126.968 -58.091 110.598-107.975 95.701 -15.166 108.770 -77.129 105.625 -95.056 142.273-145.258 140.259 98.481 148.993 -17.978 93.067 -66.349 129.860 -76.199 90.834 5.828 109.383 -82.764 129.292 166.569 176.457-153.060 89.364 55.483 118.314-136.010 93.987-136.616 126.030 -75.281 90.737 152.375 125.573 172.166 140.040-150.812 140.687-101.004 94.244 43.412 140.881-114.561 94.800 55.748 125.697 -31.302 94.195 -72.541 151.571 -36.336 125.720 -93.113 119.307 -85.648 136.352 138.302 151.247 -11.629 92.626 0.000 129.427 -76.275 # 82 total E -1.07282E+02 rmsd from N 0.000 %NC 0.00 123.476-131.615 149.720 -76.211 143.565 -58.358 140.030 94.874 135.911 105.731 149.403 178.862 94.171 61.457 130.652 -77.112 94.178-166.682 96.582 -77.007 95.414 70.124 135.426 178.556 95.080 -16.739 102.290 -45.963 129.779 -69.906 151.402 13.204 119.605 130.676 161.236 -13.538 118.633-172.583 129.422 -10.540 122.024-109.737 151.836 173.542 112.719 -62.466 119.922-134.184 95.143-146.762 147.186 -15.005 95.044 52.171 143.649-156.765 95.165 43.255 151.141 -34.541 95.920 78.665 149.405 -85.172 141.569 174.122 143.593 -66.768 94.519 129.611 135.605-102.525 130.070 5.616 133.857 -69.913 110.463-109.869 145.404-110.172 91.488 59.976 0.000 0.000 90.153 56.745 119.928 -75.040 88.710 42.823 139.496 -91.617 89.960 49.421 114.988-123.111 88.215 62.653 109.921 -79.442 88.456 56.876 141.697-105.129 90.513 39.813 138.286-118.390 95.666-107.812 143.211-123.353 107.089-167.830 151.938 -16.717 107.873 -75.141 95.386 -90.762 105.474 -22.363 114.747 -77.478 93.202 -49.812 118.066 -48.541 93.860 -41.089 114.869 -72.800 92.657 -58.115 128.638 -77.119 88.329 133.892 106.363 -84.142 142.531 -56.842 176.431 10.682 102.799 162.095 127.604 -66.135 94.595 -14.717 130.265 -77.329 103.442-104.927 151.259 110.473 126.946 -88.925 153.819 -87.793 95.195 35.668 140.536-123.203 95.811 51.999 127.099 -41.029 95.257 -44.186 147.780 -95.223 128.153-104.360 148.168-158.301 121.689 170.460 159.553-154.432 92.827 0.000 129.528 -76.546 # 83 total E -1.07280E+02 rmsd from N 0.000 %NC 0.00 93.033 -64.448 122.756 -68.110 99.899-119.889 122.333 -63.746 94.061 45.714 144.970 -32.508 93.059 49.516 127.779 -74.864 100.950 155.368 146.683 1.262 91.107 -46.840 109.836-148.663 90.463 -55.684 129.075 -22.991 91.452 134.414 138.616 -89.803 117.905 15.101 133.670-141.134 93.774 132.320 120.528-141.689 144.505-115.880 147.786-167.301 131.473 25.157 109.622-106.757 97.158 126.517 104.685 -86.538 117.842 -89.390 142.182-112.635 103.140 1.858 134.577-152.277 99.529 -65.761 139.391 -89.841 96.509 -24.685 144.434 33.753 96.292 107.528 141.215-112.198 101.832 27.738 77.663-150.578 94.260 61.762 145.679-146.589 93.493 119.835 0.000 0.000 92.849-150.609 148.586 172.109 135.887 151.858 156.109-164.016 92.732 66.856 125.721-115.845 95.823 30.186 112.031 -77.402 108.250 156.295 145.568 -87.798 108.104 96.187 127.579 141.840 94.379 -82.818 138.256-113.355 95.690 93.946 144.706 -19.499 103.611-168.765 97.478-111.483 135.670 48.317 124.839 -82.622 94.335 -48.251 138.035-166.247 93.521 -52.223 112.809 -74.376 91.969 110.754 158.868 -86.456 102.332-153.810 135.687-140.104 142.180-124.483 161.017 175.781 146.421 -7.753 158.230-163.851 110.563 -15.473 126.152-104.096 90.813 97.158 116.761-132.038 92.364 -14.908 129.266 -77.278 100.034 -90.144 144.297-164.084 92.345 -47.339 130.689 -20.130 91.324 -58.995 161.463 175.244 90.591 -37.145 129.724-165.908 97.597 118.004 147.520 -22.879 92.469 0.000 128.839 -76.227 # 84 total E -1.07083E+02 rmsd from N 0.000 %NC 0.00 92.656 -10.432 129.432 -79.031 134.038 -68.453 140.136 -58.717 112.062 29.483 104.292 -77.954 102.271-157.537 149.547 -90.294 103.851 119.238 131.238 141.713 94.734 -28.079 128.380-141.576 94.430 -59.405 109.592 -55.439 91.734 -30.227 139.557 -79.889 99.763 171.569 143.551-119.177 133.676 169.367 84.160 -80.783 118.477 108.146 169.633 -7.499 120.454 -22.982 115.697-121.239 98.421 138.143 106.193 -85.342 112.506-155.646 140.713-120.920 126.085 -10.040 147.446-167.706 97.671 121.633 138.942 -92.567 100.479 -24.985 140.154 -72.979 98.013 -54.319 114.713 -71.302 97.801 -20.631 118.918-122.767 97.057 -65.241 150.744 3.071 98.337 -15.280 0.000 0.000 102.466 164.575 135.084-120.092 152.067 94.256 123.547-129.896 103.689 -16.062 106.623-126.864 93.329 91.403 112.679 -75.328 92.722 107.735 122.069 -94.069 93.543 37.862 136.373-154.780 96.261 52.406 116.279 -89.244 128.513 117.917 118.839 -80.659 118.255 174.924 125.043-132.124 143.212 -87.044 120.925 -83.620 94.265 47.776 140.034-139.782 103.295-102.535 111.307 -74.795 95.436 153.850 129.318 -75.174 92.752 88.532 104.355 -78.989 87.665 -81.523 110.889 -81.040 87.499 -46.524 126.676 -76.729 92.594 -39.216 128.864 -74.813 94.844 -45.672 102.354 -99.187 92.309 -46.985 137.316-106.081 91.456 -44.715 140.822-114.863 94.274-122.364 138.042 -74.360 93.070 -55.276 144.534 -80.931 92.764 -29.177 134.705-137.419 108.972 173.023 147.073 -21.339 92.676 0.000 129.738 -75.859 # 85 total E -1.07072E+02 rmsd from N 0.000 %NC 0.00 120.717 106.498 143.390 -27.942 94.174 53.192 150.161-110.333 94.365 43.863 145.924 -15.478 91.762 79.749 130.015 -76.849 97.326 -54.593 78.881 -74.783 107.305-100.547 125.238 -34.908 95.328 176.499 93.689 -31.950 94.238 -64.880 145.564 -84.736 91.276 -83.274 105.225 -64.075 89.518 -84.836 104.422 109.714 138.439-179.383 176.454 9.038 94.734 40.982 103.902-108.851 124.320 157.117 141.415-117.946 123.631 108.512 155.962 -4.575 109.964 45.029 156.036 -21.560 106.608 143.663 153.095-107.358 95.256 49.154 154.713 -78.265 92.635 56.139 138.107 -96.791 92.642 32.837 134.951 -30.811 102.034-149.781 142.506 -19.909 90.536 -50.506 0.000 0.000 90.927 -47.038 145.510 -5.038 89.006 -48.850 132.831 -76.424 90.121 -44.395 128.233-140.108 88.897 -48.807 114.449 -75.550 88.924 -53.103 130.888-104.524 87.926 -48.329 143.918-139.449 89.590 -52.964 138.660-124.577 90.288 123.076 113.814 -82.010 99.702 37.133 91.869-109.822 116.791-150.052 120.344 -76.574 123.888 -68.179 129.541 46.711 95.139 56.970 115.961 -73.167 92.339 42.193 129.417 -75.827 91.283 46.592 139.520-126.019 91.377 34.032 128.152 -87.702 103.358 63.286 133.633 -95.167 130.713 -57.947 136.523 -96.363 91.757 75.935 118.453-107.691 91.485 5.233 128.333 -76.157 109.833-130.305 91.212 -81.047 92.034 -36.029 130.618 -33.035 105.632-151.282 147.296 -17.522 100.144-122.531 102.715 -69.339 130.724-122.601 171.863-174.429 129.054 0.000 143.420 -98.193 # 86 total E -1.06983E+02 rmsd from N 0.000 %NC 0.00 123.308 -69.007 146.441 -26.567 129.470-133.491 135.120 -55.509 95.053 45.931 107.697 -80.070 95.377 156.827 127.195 -74.548 95.379 37.344 136.188 -19.453 95.923 44.585 68.419 -62.299 96.724 127.955 110.735 -34.177 142.241-176.787 130.320 -98.276 92.103 52.803 125.101-149.345 95.676 18.097 92.858 -89.912 123.046 -72.614 170.948-174.306 141.073 67.400 107.558 -91.794 117.322 41.875 114.903 -92.750 122.309 78.118 123.647 -92.464 109.413 -22.015 111.371 -85.831 94.825 -64.630 143.117 -97.336 95.371 21.464 140.256 -75.381 111.900 -78.400 142.978 13.243 97.147 -31.429 141.399-164.645 95.659 -49.540 140.671-126.674 95.202 11.567 0.000 0.000 130.690 -82.040 171.947 146.800 134.447-119.390 157.319 -83.848 91.698 47.018 103.024-101.301 94.196 38.381 108.587 -74.082 112.656-172.944 149.958 -39.055 108.264 136.565 102.968 114.761 119.300-124.212 153.728-124.342 102.823 -51.030 162.366 -21.953 110.344 155.699 131.800-147.958 95.476 -45.858 109.775 -78.669 90.764 -52.733 114.250 -54.678 88.368 -58.182 111.614 -73.728 93.911-110.045 127.286 -74.649 85.740 62.103 137.095 -12.487 92.024 44.222 131.378 -87.016 93.231 121.593 153.149-128.790 94.954 -1.040 136.460-110.815 99.090-143.067 115.218-122.134 94.075 37.829 130.851 -77.232 94.432 51.408 141.015-116.742 92.196 42.657 123.355 2.718 95.921-122.895 118.126 -78.981 93.809 -94.340 104.381 -82.949 139.732 -65.621 176.441 169.087 129.033 0.000 140.617-102.591 # 87 total E -1.06965E+02 rmsd from N 0.000 %NC 0.00 92.667 101.795 135.810 -94.640 129.700 169.670 142.885 6.721 99.256 69.201 106.279 -80.125 104.578 -55.217 143.895-101.294 122.314-127.328 81.519 -70.580 95.097 89.682 101.814 -62.882 120.474 36.180 137.307 -37.380 100.474 -49.940 122.599 -78.147 92.195 -51.197 115.135 -58.180 98.761 70.517 134.535 143.948 136.404 -77.930 149.589-168.904 102.086 -52.213 93.963-103.389 111.447-160.580 104.413 -82.054 128.346-140.282 162.479-157.998 96.526 33.744 136.166-136.047 99.150-170.392 119.949-139.003 117.429 45.532 165.341-118.387 110.174 17.504 158.763 172.218 97.745 54.323 84.284 78.403 92.189 31.043 109.006 -68.539 127.959 -69.993 0.000 0.000 116.873-154.579 145.029 -23.518 117.699-113.673 132.881 -91.179 93.276 39.229 111.923-168.747 98.674-115.171 109.301 -74.801 125.164 157.537 161.723 -7.325 97.507 -0.837 135.610-127.136 120.669-137.307 153.798-138.443 108.240-118.417 156.676 -19.404 125.321 -58.435 117.344-117.724 92.637 -52.475 108.348 -82.198 93.037-118.106 127.818 -36.952 90.867 54.638 122.314 -72.793 93.040 47.536 130.863 -77.696 87.776-152.294 105.296 -81.498 149.307-134.028 170.078 166.452 89.334 67.736 120.005 -91.033 91.496 39.121 129.569 -77.953 92.248 115.652 118.263-120.393 92.166 -47.531 128.720 -77.219 93.153 -46.531 145.046-130.584 91.172 -43.272 126.939 -12.607 93.162 -52.546 159.188 -23.850 90.972 -42.812 140.016-151.987 97.181 138.072 144.892-124.886 122.546 0.000 144.674 -84.613 # 88 total E -1.06956E+02 rmsd from N 0.000 %NC 0.00 92.577 116.640 127.976 -69.471 135.079 169.206 138.812 15.298 108.210-117.620 145.195-129.911 128.646-101.995 174.869 -86.452 160.000-161.636 103.300 -76.368 90.292 13.352 135.873-162.301 112.528 -36.523 136.158 -33.797 128.300 -44.548 160.828 -57.697 121.450-108.881 176.446-173.132 90.423 53.224 118.410-134.891 94.596 40.883 118.287-137.393 124.815 -23.207 112.426-111.978 102.086 127.116 130.845-123.360 146.264 157.916 158.708-166.391 120.080 67.598 144.842-164.623 130.191-107.754 148.574-104.158 123.753-151.576 154.368 -74.401 140.153 -90.575 138.938 -75.594 104.289-162.514 101.270 -70.679 131.625 76.492 159.486 171.771 98.319 32.644 0.000 0.000 93.552 51.555 118.862 -75.694 90.923 41.594 146.012 -89.854 92.453 48.616 131.831 163.486 93.975 113.602 110.173 -77.587 93.706 -29.315 142.371-116.490 95.642 -69.714 143.914-163.195 92.398 29.212 157.402 -19.215 121.197 -70.736 165.023-143.799 123.758 178.924 125.713-133.380 131.057 -47.048 114.611 -83.493 91.240 59.426 103.364 -13.918 89.210 52.241 115.398 -71.927 89.627 61.347 129.498 -76.574 87.686 33.905 136.000-138.260 98.655-101.516 91.872 -62.810 102.227-117.668 146.340 -27.535 93.462 42.963 131.889 -78.757 94.376 114.256 122.997-120.140 95.707-105.189 129.579 -77.602 93.320 78.004 140.895-110.265 93.612 31.772 126.166 -40.640 108.647-156.187 148.952 -29.390 102.624 -8.256 108.367 -85.345 117.242-152.471 161.812-152.882 92.942 0.000 129.571 -76.345 # 89 total E -1.06657E+02 rmsd from N 0.000 %NC 0.00 124.792-128.463 145.689 -43.956 102.994 -45.730 146.809 -16.974 96.065 -35.867 104.453 -75.331 113.296-178.002 138.887 -92.313 106.247 119.283 149.356 165.925 120.628 -53.247 76.818 -97.284 96.714 46.587 115.516 -8.483 126.961 111.568 137.756 -54.882 93.953 -38.257 173.144-162.791 90.778 -46.428 156.682 0.575 97.677-122.175 129.759 143.364 90.955 52.583 128.827-155.960 90.325 43.776 101.918 -84.521 91.635 48.198 130.503 -75.326 90.374 46.040 136.723-121.182 91.024 48.662 120.280-131.259 91.278 48.227 123.243 -84.596 94.331 171.818 123.383 -91.661 93.263 47.176 131.568 128.060 91.021 54.500 146.170 -10.498 89.889 63.802 0.000 0.000 91.121 139.594 133.468 -2.295 111.949 -12.974 124.755-103.222 96.150 -42.202 130.967-154.124 99.280 -24.842 122.065 -74.386 102.703 -37.545 153.063-146.736 97.573 -27.997 139.387-144.353 102.411 -27.955 145.668-133.336 99.218 -37.978 155.849 -13.141 101.611 -37.316 99.807 -97.154 94.116 -50.715 112.944 -78.188 92.790 74.856 131.187 -95.249 139.250-173.043 140.424 -46.396 89.447 76.808 163.897 -82.337 89.542 51.443 132.934-140.818 89.208-133.807 104.276 -46.727 101.339 -73.089 151.777 -23.134 92.188 -88.092 129.450 -75.995 89.635 70.392 112.046-137.084 96.453-110.616 127.798 -76.444 93.342 89.776 139.849 -62.369 131.619 147.634 73.070 -76.979 108.518 -59.780 161.942 -12.489 94.008 -40.425 147.494-155.741 96.956 124.218 144.889-134.798 92.505 0.000 128.749 -76.085 # 90 total E -1.06259E+02 rmsd from N 0.000 %NC 0.00 93.211 -88.619 127.218 -72.675 100.076 108.310 117.575 -62.450 153.197-125.004 118.974 -82.047 95.567-114.026 127.059 -75.062 114.835 -23.026 130.726 -2.135 113.320 106.970 135.327 13.113 87.886 -60.772 85.523-130.082 97.504-145.366 148.138 44.411 132.502-114.482 151.744-113.158 94.699 55.523 94.538 -95.348 94.972 -89.943 132.915 -93.851 97.838 -35.701 120.641-138.448 90.776 -55.085 151.829-131.558 90.200 -49.265 119.026-108.832 89.085 -44.126 136.024-149.113 88.838 -50.187 147.034 152.305 91.048 -48.010 100.204 -57.621 90.674 -53.429 139.963-152.937 94.750 88.834 73.873 66.454 120.150 -89.994 151.407 -12.746 130.121-110.104 0.000 0.000 103.594 -19.955 159.246 153.740 117.501 160.467 163.863 175.882 100.654 23.143 104.643-150.194 119.065 130.538 113.658 -76.305 131.655 122.249 164.672 -1.017 94.769 31.897 139.873-127.737 106.527-103.187 104.073 -81.337 107.393-147.358 155.620 -13.408 106.596-118.341 93.801 -91.542 98.483 98.559 114.853 -77.522 89.859 -72.659 103.223 -57.950 91.610 -31.774 110.476 -72.321 94.795 -59.764 127.138 -74.547 91.416 20.687 106.889 -90.944 121.559 -62.741 122.077 -85.338 96.060 123.753 125.547 -67.289 138.933-124.923 132.227 -96.009 95.450-152.005 139.996 -84.405 111.836 47.314 158.865 -96.007 92.739 42.675 141.104-110.703 91.693 47.395 132.163 -32.693 91.595 59.191 137.339-121.538 87.750 38.188 129.490-158.939 96.464 105.408 146.314 -24.818 122.012 0.000 145.567 -87.574 # 91 total E -1.06185E+02 rmsd from N 0.000 %NC 0.00 93.226 158.800 143.730-111.206 95.180 44.138 118.087-173.793 89.405 50.713 145.566 -51.441 92.257 49.979 129.603 -76.569 92.596 80.444 149.602-133.091 88.833 -86.924 105.804-141.752 95.125 125.453 107.322 69.150 95.629 11.150 126.512 -93.395 103.685-100.928 135.118 -95.572 96.162 -19.921 141.263 -20.394 103.153 -73.876 170.290-162.630 135.602 159.869 117.128-111.638 95.135-165.942 109.768 -81.651 129.861 107.204 153.942-139.297 121.322 -8.789 143.371-179.977 93.644 62.971 138.476 -98.388 93.649 37.922 130.388 -75.227 103.388 -95.680 159.834 138.128 107.771 -39.950 81.902 -68.985 92.492 -37.788 140.606 -32.018 98.885 -69.694 0.000 0.000 86.819 57.383 125.663-110.591 124.083-120.616 111.587 -95.564 91.838 40.482 121.225-126.173 114.609-134.990 112.693 -76.678 93.558 77.098 147.357-146.435 93.706 67.716 141.768-125.016 94.590 39.033 141.656-126.363 111.114 -77.286 162.722-152.071 107.003-158.556 98.521-102.763 100.650 123.947 141.517-175.107 102.309 47.528 125.446-127.998 97.568-111.703 112.276 -75.660 93.107 55.217 128.402 -75.609 104.503 -73.682 104.136 -71.890 109.509 114.381 151.715 -28.233 137.880 166.352 169.334-157.947 115.823-112.903 140.089 -98.074 140.320 -1.534 132.206 136.502 120.014 -7.360 148.471 -86.419 93.622 67.184 140.533-106.906 92.647 22.043 124.125 -9.016 102.462-112.814 155.158 -33.247 99.494 -21.645 134.083-121.071 118.388 75.984 142.194 -28.809 92.507 0.000 129.414 -76.635 # 92 total E -1.06075E+02 rmsd from N 0.000 %NC 0.00 92.619 53.470 136.659-103.023 131.687-117.073 142.426 -35.009 123.810 -84.925 105.732 -75.132 119.381 -47.502 133.710 -70.017 91.402 67.626 150.893 -8.385 94.000 25.258 115.315-130.098 101.868-126.768 130.678 61.922 138.828 84.183 160.444-145.195 91.850 80.045 141.496 135.193 90.574 112.407 81.968 -93.876 89.827 -68.718 134.811-100.376 95.026 -52.073 94.649 -88.882 90.399 -30.277 134.941 5.113 106.654-115.135 153.049 -32.251 100.309 53.457 153.936 -40.939 98.487 -80.809 114.277-118.243 96.258 -50.962 138.762 -86.986 102.472 -1.569 165.464-153.738 129.202 110.486 136.110 154.564 107.001 -15.308 148.047-142.611 113.040-115.626 0.000 0.000 132.625 -90.447 165.140 132.600 134.406 -61.441 158.733-141.266 132.905 -70.529 141.910-156.221 96.483 45.429 112.394 -73.669 92.991 46.190 138.783 -25.695 92.982 44.900 129.608-133.871 92.958 40.938 137.892-165.043 95.602 105.979 109.277 -83.948 98.914 -27.452 96.803-110.182 95.474 -64.473 112.640 -78.702 92.811 -56.301 99.553 -57.981 92.452 115.013 144.360-158.095 93.315 42.285 128.750 -75.671 92.261 48.010 112.288 -78.602 94.227 82.988 148.894-104.519 80.615 -87.031 133.968-146.735 93.256 -37.224 130.202 -77.686 94.998 -97.250 120.655-133.323 92.932 78.663 146.718 -99.444 97.159 -88.631 141.626-133.156 96.626 -38.691 131.074 -51.360 93.007 -54.130 151.758 -36.906 91.964 -43.882 108.747 -82.235 96.933 84.872 147.180 -23.514 92.487 0.000 129.164 -76.415 # 93 total E -1.05958E+02 rmsd from N 0.000 %NC 0.00 92.557 18.254 124.801 -63.882 141.750-138.184 142.539 -26.927 112.810 -18.672 105.198 -79.804 117.941 -90.863 146.907 -87.122 138.532 -15.457 160.924 155.518 121.890 104.682 137.901 127.450 90.919-131.323 98.455 -31.320 119.034 46.606 163.919 129.513 92.376 43.285 130.326-143.967 93.425 35.334 121.480-135.825 116.165 -58.042 141.288-121.900 126.308-112.424 108.390-106.418 102.510-139.644 141.185-175.428 126.646 70.295 173.048 178.763 100.135 27.944 138.377-160.939 95.067 45.250 150.314 -86.685 90.906 69.800 129.919 -54.473 90.866 78.913 129.044 55.970 94.000 -27.758 112.541-124.032 109.200 71.064 144.436 12.092 94.784 16.906 0.000 0.000 109.761 -65.782 161.356 150.767 136.940 -81.569 155.760-145.702 98.735 -5.359 121.934-148.484 102.269-145.453 112.412 -74.560 99.408 46.164 149.127 -34.962 95.307 38.868 139.935-141.329 98.517 51.581 153.675 -21.796 99.749 -4.361 142.370-103.478 132.903 -87.557 113.869-109.210 100.845 -29.644 109.443 -78.362 94.005 -64.806 90.516 -48.612 93.221-161.822 136.811 -3.384 135.273 45.527 135.783 -99.971 115.089 -64.517 94.803 -80.098 92.842 1.705 152.756 -28.602 109.700 -64.623 176.460-143.644 132.086-120.906 151.351 -94.736 90.732 115.990 97.287-105.925 91.212 -60.097 129.189 -99.531 91.798 -44.447 147.513-158.285 92.509 -78.775 124.752 5.939 91.616 89.049 149.868 -31.201 95.527 44.865 142.487-156.898 97.477 110.324 147.006 -19.723 119.268 0.000 146.497 -80.476 # 94 total E -1.05908E+02 rmsd from N 0.000 %NC 0.00 92.904 140.872 140.198 -96.373 93.840 49.353 138.813-179.137 92.516 55.033 143.974 -27.073 92.156 99.533 129.690 -76.024 95.882 140.081 156.785 163.009 107.880 -3.366 70.025-102.456 96.095 81.170 110.978 -71.804 126.607 -80.083 160.657 -84.307 120.198 -76.111 110.337 -62.943 96.947 0.268 122.976 -27.533 99.975-121.605 151.558 -38.786 99.763-144.689 107.082 -85.648 85.624 -69.317 128.749-164.034 97.433-171.174 151.831 143.735 114.912 7.320 137.159-139.432 96.335 54.785 118.435-126.343 100.587-165.658 120.558 -96.281 122.880 52.237 131.536 89.972 103.892 -51.706 137.626 -96.412 112.717 97.388 163.322-169.445 113.732-113.498 0.000 0.000 147.815 -81.279 121.283 -82.193 130.824-113.911 160.519-126.829 91.367 48.304 112.065-122.797 92.156 45.143 110.626 -77.982 91.360 51.245 159.173-144.705 92.025 38.533 135.047 -62.011 95.190 48.648 152.699 -22.048 97.083 2.946 139.594 -99.192 125.087-168.413 118.117-121.380 115.541 14.968 137.591-162.989 93.077 57.636 108.188 -7.728 95.045 27.682 111.174 -74.445 95.793 95.147 130.790 -76.696 85.638 -62.344 103.178 -81.762 105.368-144.691 148.465 139.524 112.701 6.603 133.497-155.897 93.526 -67.399 128.680 -76.396 94.380 -53.794 126.535 -52.086 94.258 135.469 130.581 -76.866 124.791 -67.529 152.943-106.201 94.534 86.294 129.766 -31.449 94.277 -32.116 136.165 -38.396 127.388-147.647 151.895 -32.634 97.087 98.507 140.428 -14.776 92.443 0.000 129.142 -75.742 # 95 total E -1.05870E+02 rmsd from N 0.000 %NC 0.00 93.452-164.547 135.650 -88.377 130.754 -82.190 136.199 38.349 106.929 23.259 144.752 -17.913 92.505 63.688 129.630 -76.700 92.572 27.466 81.601 -70.068 105.159-132.761 140.720 -10.330 96.345 27.329 104.854 -70.027 113.041-154.649 124.916 -63.584 137.800 69.006 164.615 3.745 97.200 153.838 127.907 -11.419 114.705 60.958 143.624-156.230 97.773 28.039 92.928-121.032 97.309 51.025 110.513 -81.263 92.847 36.302 134.260 -41.300 102.105-163.736 109.366 -88.589 92.973 47.142 116.240-145.860 99.284 -94.929 115.370 -94.584 118.131 159.556 130.238 44.809 113.693-154.482 137.494-146.477 98.547 65.290 149.681-154.015 99.820 111.480 0.000 0.000 137.357 -94.495 168.505 143.273 138.788-162.361 137.517 -91.233 96.227 73.948 113.054-163.580 108.771 174.800 113.039 -78.904 141.821 48.155 175.357-171.173 117.361 -12.812 136.916-143.569 94.379 72.491 144.658-131.786 93.011 0.413 140.736-104.174 127.878-116.686 110.279-107.677 89.417 121.207 111.542 -73.418 90.744 66.418 133.704 27.840 90.218 36.822 110.893 -74.814 93.706 58.582 128.938 -75.542 95.896 -11.098 143.838 -47.381 112.999 57.581 163.336-126.863 93.196 63.097 128.391-136.763 93.579 -64.945 129.369 -77.574 124.042-127.450 146.812-144.117 92.319 48.991 151.386 -85.252 92.047 45.025 140.826-105.605 91.223 44.909 129.101 -32.725 91.529 53.264 140.194-103.593 90.158 41.541 132.377-147.694 96.191 107.375 146.527 -24.005 123.441 0.000 144.638 -92.008 # 96 total E -1.05760E+02 rmsd from N 0.000 %NC 0.00 117.658 136.565 149.053 -79.559 127.485-166.700 130.156 88.347 127.992-150.324 158.568 -23.491 103.576 68.540 128.517 -75.922 95.547 31.947 115.752 -74.978 106.309-111.988 102.466 -74.218 95.278 8.961 88.805 -81.889 120.978-148.067 123.400 -55.779 89.080-156.159 124.265 -50.624 114.043 165.516 89.863 -97.635 119.186 -74.872 176.464 -8.070 94.765 43.714 104.283 -86.033 96.985 101.202 106.924 -81.951 96.254 -11.990 138.223-108.683 98.561 -77.658 108.317 -89.447 93.104 -1.615 135.518 -96.046 112.012 154.412 137.304 56.252 90.980 81.264 131.621 -42.143 93.982 58.637 122.030-155.169 94.266 19.296 147.673 -25.366 99.912 157.897 0.000 0.000 146.508 -70.821 130.680 -88.317 96.351 -65.761 136.785 -92.175 92.839 -49.845 121.213-144.439 91.918 -36.731 118.324 -13.834 106.193-127.124 157.342 -32.924 98.906 -6.505 125.363 -78.536 108.122-100.861 143.649 -44.475 116.637-177.724 161.711-159.539 128.209 0.864 115.583-115.206 126.360 -92.829 113.753 -83.741 90.029 54.816 110.618 -10.337 90.757 43.029 108.735 -80.367 90.400 60.938 128.450 -75.425 83.714 55.779 132.011-147.968 88.981 49.519 102.284 -70.590 90.236 45.128 137.727 -39.322 90.413-129.954 129.877 -77.588 89.102 -65.899 125.157 138.229 90.136 -46.398 128.840 -76.047 91.927 -52.015 134.681 -94.951 91.983 94.626 129.727 -41.499 119.370 39.019 137.192-117.050 123.650-113.910 147.798-146.779 122.464 164.835 149.629 -19.159 92.802 0.000 129.537 -76.476 # 97 total E -1.05604E+02 rmsd from N 0.000 %NC 0.00 122.275 -82.012 150.979 -70.677 95.863 -45.922 111.350 -75.577 90.942 -45.441 140.980 -35.629 90.545 -48.763 129.008 -75.876 92.643 -38.985 128.194-108.051 94.669 -38.529 64.858 -58.272 92.467 -43.817 139.253 3.545 97.785 -46.817 142.248 -91.200 91.925 -98.098 114.959 -90.804 88.404 36.321 98.083 -88.220 107.404-128.611 139.937 -86.373 127.424-178.103 113.192-109.539 89.451 69.980 120.457-120.280 94.257 15.315 112.915-112.578 108.707-162.630 111.715 -90.579 127.874 -1.495 143.311 153.424 116.520 107.483 154.984 -79.486 95.203 -29.151 138.576-104.458 105.545-150.455 131.591 -37.808 97.198 114.932 143.401 1.151 104.575-109.149 0.000 0.000 88.629 72.713 145.251-177.065 92.967 47.881 107.624 -96.011 94.027 82.026 84.237 -77.716 125.177 -64.063 123.465 -81.248 139.066-174.918 147.662 -93.231 108.228 91.953 113.659 136.815 93.741 -59.332 103.625 -85.357 93.785 -53.794 156.264 -31.018 103.722 -27.267 121.583-134.085 98.603 -42.438 110.761 -80.959 93.665 -35.558 129.516 -96.995 97.449-113.400 115.801 -71.122 93.020 -39.393 143.255 -94.732 91.475 -49.846 94.598 -79.390 90.868 -71.847 134.388 -49.081 90.262 95.163 152.255-176.725 117.819 126.705 131.958-102.892 117.542 -26.385 144.130 -56.056 113.022 -16.344 141.496 -88.255 97.268 -46.412 140.024-106.392 95.725 -23.882 144.102 14.895 111.325 -82.482 164.301-172.408 120.758 24.161 141.768-145.468 128.292 84.790 146.237 -27.357 125.433 0.000 151.734 -93.586 # 98 total E -1.05579E+02 rmsd from N 0.000 %NC 0.00 93.073 -73.612 119.379 -52.770 121.144-110.957 129.274 -57.957 114.269 -16.164 146.079 -4.868 95.160 42.589 131.946 -78.509 130.999 119.258 173.164 150.214 111.424 -68.376 109.489 -38.164 93.229 -3.381 118.793 -36.103 108.076-124.540 125.044 -57.140 145.455-126.035 176.449 16.794 98.802 85.254 124.756 -31.511 91.285 -75.307 143.320-110.836 92.709 -50.165 96.184-103.677 92.125 -55.635 148.298 2.981 91.348 124.260 148.511-111.114 95.674 44.354 136.142-162.898 94.350 49.394 135.790 -94.813 99.414 -31.537 145.582 -73.807 125.801 162.447 141.763-120.173 116.383 21.380 110.027 96.998 93.655 53.789 109.748 -81.447 93.624 32.378 0.000 0.000 103.703-104.305 154.179 -4.295 117.267 -65.747 119.171 -66.558 90.950-147.726 132.175-117.546 148.765 53.135 173.755 -54.091 97.764 28.936 149.614-135.741 97.285 53.667 132.189-150.764 95.309 30.896 143.359-122.300 103.917-108.729 151.244-164.905 110.478-164.074 90.888 -78.174 92.613 83.206 116.530 -71.279 92.009 36.839 118.272-110.406 95.417-122.117 110.832 -75.249 92.316 132.768 129.516 -75.370 92.117 67.595 109.253 -87.876 113.824 -7.901 132.244 -89.328 94.989 61.339 164.648-144.905 91.148 22.303 129.044 -77.738 99.434 150.088 114.390-115.763 91.851 53.018 155.428 -93.029 91.923 43.703 140.822-108.814 92.406 48.555 128.382 -31.350 91.434 44.950 141.550 -99.546 97.779-109.398 136.239-143.789 120.868 -8.293 110.810 -80.185 92.494 0.000 129.349 -76.293 # 99 total E -1.05318E+02 rmsd from N 0.000 %NC 0.00 122.955-123.427 151.589-104.554 133.338-164.747 136.569 -29.442 98.903 -56.809 145.608 -22.818 117.684-164.571 158.689 -82.761 107.258 -9.129 89.718 -75.802 92.238 -76.225 119.781 -30.911 91.988 76.622 102.816 16.270 116.442-122.708 143.236 -77.577 104.665 30.761 128.222-141.069 107.728 96.709 81.733 -80.206 93.736-169.528 157.709 -33.419 135.472 -53.204 114.759-109.131 96.744 169.594 104.288 -83.478 107.929 -20.465 127.983-109.483 94.265 -65.519 134.349-138.674 93.466 58.564 138.061-103.486 124.056 -66.855 150.269 -58.719 130.898-121.941 130.599 115.021 135.348 54.702 119.211 -24.993 97.363 -51.691 101.186 -84.547 89.044 -49.279 0.000 0.000 92.288 -48.329 118.179 90.626 91.439 130.068 134.170 -98.440 94.285 26.266 112.041-151.666 98.334 59.582 110.455 -74.300 95.034 26.385 148.570 -36.042 98.467-116.518 147.545-171.938 92.704 -17.781 141.711-135.563 105.789 136.448 111.770 -81.103 129.617 107.879 117.294-115.290 94.921 32.759 136.415-143.541 95.072 119.276 135.579-110.169 93.185 -42.875 111.903 -76.409 92.413 -54.317 128.394 -75.678 89.659 -36.956 101.824 -78.689 102.176 124.925 176.363-161.662 90.670 155.398 138.857 -30.243 100.275-115.607 129.642 -77.713 91.805 146.958 117.194-150.297 92.927 -50.169 128.804 -77.309 91.570 -43.766 142.367-107.968 90.109 -48.228 133.547 24.731 94.431 -46.838 162.081-172.422 93.947 108.837 122.575-139.699 124.027 -38.024 154.563 -20.135 92.646 0.000 129.320 -76.400 # 100 total E -1.05185E+02 rmsd from N 0.000 %NC 0.00 93.280 -90.988 111.883 -39.806 113.241-115.196 139.626 -52.964 90.514 51.846 141.903-128.729 92.415 50.410 128.269 -75.209 97.813 31.410 162.838-168.816 96.694 44.579 160.286 13.613 94.371 39.651 103.362 -67.629 102.205 130.761 128.194 -68.922 115.396 166.133 168.014-169.707 93.477 27.933 98.750-139.269 103.337-109.375 108.813 -90.249 94.429-179.857 126.883-147.626 91.952 56.847 119.773 -80.034 90.394 46.329 128.057-110.390 91.257 46.696 130.796-131.628 96.043 174.294 121.010-112.339 94.453 67.526 152.405 161.977 94.070 71.026 138.553-101.596 104.751 -96.867 124.841 -61.470 120.653 -81.094 110.761 -76.195 115.871-127.446 0.000 0.000 137.890 125.151 145.197 3.785 106.894-101.110 140.883 -73.322 90.823 50.335 111.900-144.954 90.560 54.994 108.593 -71.698 90.662 49.308 137.741 -43.306 91.276 40.879 136.386 -57.409 92.329 44.962 107.424 -86.121 96.199 107.357 140.513 -44.769 95.907 25.951 103.363-126.268 97.899 56.763 114.309 -78.753 101.341 29.735 137.833-126.058 112.082 -90.441 119.393 -73.089 94.230 -43.783 127.708 -75.798 92.296 -49.758 139.215 -4.803 93.355 127.007 141.367 -27.262 90.051 123.010 122.084 46.698 91.444-126.350 128.468 -75.991 90.885 46.886 141.246-109.336 92.647 46.597 128.019 -75.512 93.645 38.682 142.466-142.316 93.202 46.350 145.960 3.993 93.174 36.931 108.222-134.830 100.744 -1.699 106.687 -90.911 130.408 -6.678 110.997 -74.717 119.048 0.000 142.621 -83.296 # 101 total E -1.05174E+02 rmsd from N 0.000 %NC 0.00 116.387 136.238 153.098 -99.604 93.905 50.863 118.985 -38.456 93.610 47.758 107.270 -79.235 91.969 43.627 130.183 -76.996 93.639 58.123 102.087 -81.554 96.721 -67.890 97.840 -73.635 117.086 145.918 116.591 -26.165 137.715 160.255 160.803 -74.139 92.071 -51.467 112.926 -94.029 92.055-167.391 84.102 -60.056 97.340 -60.877 172.034 -24.509 91.170 -46.749 101.816 -95.328 90.039 -48.824 106.151 -79.628 91.944 -42.796 147.424 -24.466 92.047 -47.022 147.678-170.410 93.083 -47.460 140.734-141.129 94.704 131.779 140.507 44.979 98.432 173.910 113.755 -97.122 96.420 124.822 153.326-110.724 91.660 -54.143 102.134 -81.385 90.428 -46.673 0.000 0.000 92.278 -43.241 128.563-101.327 92.040 -48.137 117.759 -92.909 91.206 -50.646 116.244-108.871 92.056 -16.436 116.524 -75.299 140.079 145.804 176.466-172.198 91.846 49.401 135.907 -63.588 101.067-122.995 135.948-112.917 96.787 108.419 146.971 -20.295 94.475 59.606 99.498-100.044 93.055 53.771 128.132 41.949 90.787 44.387 150.242-157.302 93.218 143.292 109.341 -71.588 95.478 118.405 163.550 -83.333 87.060 -46.020 101.401 -75.606 90.930 -51.065 114.985 -50.428 92.053 -53.319 154.315 -18.070 93.245 87.484 129.411 -76.814 119.319-171.620 140.468-140.997 141.715 178.457 162.237 -84.270 94.785 -36.179 140.404-123.330 90.060 -59.266 125.134 -8.982 91.216 -51.340 151.070 -14.409 90.743 -48.403 137.372-114.440 94.233 105.602 143.346-122.883 92.490 0.000 128.882 -76.363 # 102 total E -1.05089E+02 rmsd from N 0.000 %NC 0.00 124.738-103.073 145.137 -38.544 96.530 -16.800 121.960 -81.376 103.739-143.749 150.016 -22.521 92.343 61.910 127.899 -75.219 93.475 58.670 111.422 -26.161 94.947-116.310 89.889 -70.023 95.575 -46.543 94.925 -78.965 99.861 88.061 127.027 -64.602 107.930-147.989 142.374 -81.285 119.349-147.884 140.515 5.838 140.899-144.923 159.694-161.421 88.116 -62.340 103.614-130.912 97.881 -27.676 154.116 29.523 124.116-177.897 170.106-156.579 122.107 -67.386 120.386-130.929 111.805 -77.513 149.950 176.679 102.147 -12.107 135.646 -87.130 93.866 97.814 136.412 118.683 94.556 -8.384 86.104-123.316 100.931 -66.523 145.054 -18.047 133.473-155.096 0.000 0.000 149.359 159.787 174.112 132.561 122.277-134.504 135.087 -77.017 103.453 77.819 103.938 114.853 95.812 108.679 113.640 -76.400 118.877 93.096 167.667-139.040 108.868 -62.410 128.821 168.986 96.117 74.887 149.080-147.430 98.202 111.146 147.153 -24.042 109.850 -29.059 115.270-124.211 92.497 -59.030 110.824 -82.066 92.542 -22.378 118.324 -52.490 102.244-132.451 116.973 -71.330 123.722-104.607 126.333 -83.926 89.923 44.757 133.391-142.835 92.865 40.829 116.199 -51.283 91.843 50.848 143.108 -36.379 91.170 37.556 128.903 -77.139 91.880 55.955 95.125 -90.644 93.417 13.444 127.984 -76.762 117.440-122.249 141.780-100.918 94.667-167.571 136.875 -71.109 104.491 -58.366 149.285-124.627 94.887 -44.730 149.999 -41.370 99.567 130.311 106.059 -78.361 92.526 0.000 129.024 -75.880 # 103 total E -1.04953E+02 rmsd from N 0.000 %NC 0.00 92.732 -13.081 132.724 -92.253 103.250 -25.858 133.190 -99.651 97.565 -62.468 105.229 -79.080 115.626-172.722 142.795 -78.594 98.408-152.351 143.238-161.805 100.339 44.714 65.084 -83.017 93.349 38.898 127.462 -55.472 95.102 90.264 146.125 -91.389 88.344 -64.766 124.553-128.800 98.954-179.625 104.496 136.428 95.861 -42.391 118.063-129.872 100.123 -34.756 118.701-135.623 96.018 -36.843 140.461 -13.309 104.468 -21.899 165.593 -15.288 101.894 -34.100 146.888-140.686 101.481 -45.679 151.973-152.822 92.841 -47.134 130.712 -92.124 93.123 128.954 141.322 167.289 93.658 33.000 125.961-124.730 101.069-148.356 148.248-125.346 119.749-148.840 0.000 0.000 129.158 144.345 172.404 165.243 97.285 50.344 158.271 138.759 91.491-148.313 93.655 -50.326 93.350 -47.469 118.564 -77.233 94.767 -54.658 138.931-156.626 94.545 65.961 137.327 -99.772 129.990-111.637 108.496 -84.330 121.581 169.867 163.143-155.486 108.067 -1.278 100.282-102.358 123.646 -14.838 119.894 -80.341 99.689-146.848 100.835 -71.961 93.777 55.374 117.764 37.110 92.739 22.720 128.221 -75.586 119.096 154.505 157.288 174.371 90.979 111.938 147.800-109.336 120.760 -93.874 142.938-159.497 135.063 102.371 150.171 -97.066 118.848-101.801 151.367-168.320 94.088 31.878 129.730 -76.465 95.554 57.151 141.151-113.779 93.570 -27.414 132.365 -46.675 123.707-124.479 139.335 -84.761 96.811 -53.578 105.269 -85.825 104.630 -95.884 107.090 -73.596 120.947 0.000 146.743 -75.343 # 104 total E -1.04587E+02 rmsd from N 0.000 %NC 0.00 92.683 -23.536 124.125 -65.501 121.703-114.280 152.559 -94.367 101.318 28.386 107.143 -78.700 102.287 168.955 129.019 -76.460 128.767-169.769 132.033 19.474 109.440 1.015 146.892-169.250 100.238 -84.720 102.858-129.675 100.192 -20.654 131.619 -78.361 93.675 102.797 163.992-138.766 90.715 6.593 108.737-146.888 100.831-164.387 147.245 -37.864 97.913-149.062 98.482 -75.094 90.690 53.059 127.987-131.303 111.628 -76.680 132.679-164.451 120.127 104.103 140.197-175.168 96.251 29.314 131.245 -98.329 104.783-151.976 143.827-104.016 101.069 174.128 148.795-123.739 115.828 -24.316 98.263-134.728 95.089 -46.075 145.601 -34.162 97.369 -40.835 0.000 0.000 94.657 90.010 137.360 -14.658 139.512 131.586 131.618 -95.163 103.210 10.885 122.760-149.362 99.172 107.942 114.419 -75.541 93.327 -41.703 153.437-136.609 97.110 -66.420 141.367-160.791 93.346 -11.866 113.705 -90.068 107.721 123.455 116.253 -74.485 131.905 156.716 110.255-106.437 128.884-176.251 158.311-149.804 137.814 -9.839 129.230 -59.098 120.131 31.166 119.053 -75.826 91.227 -78.328 127.750 -76.011 93.269 -27.950 104.927 -79.624 99.009 103.577 116.267 -8.688 89.358 66.297 156.141 -19.007 92.455 50.168 126.668 -75.749 89.537 47.501 143.332 -37.866 94.776-112.377 128.583 -76.757 111.048 120.758 146.772-124.168 97.157 59.117 128.401 -6.255 95.230-115.645 149.109-122.166 96.577 -21.787 150.147 -35.144 112.555-139.380 148.335 -18.184 125.255 0.000 147.298 -84.865 # 105 total E -1.04424E+02 rmsd from N 0.000 %NC 0.00 93.284 -82.962 127.642 -77.801 96.387 -22.289 122.621 -65.716 111.708-130.134 143.074 -38.823 120.812 129.035 149.300 -85.215 106.849 -21.934 136.385-125.290 100.751 -48.841 83.993 -88.420 92.670 -78.646 92.471 -50.650 102.078 107.097 164.537 149.560 93.406-175.010 138.550 -32.356 113.839 108.107 118.126-139.262 129.721-115.828 139.666 176.925 115.097 19.569 122.677-135.529 93.713 68.075 104.010 -88.352 95.252 -52.543 132.119 -94.536 117.850 70.928 145.789 -53.426 148.143 174.389 108.670-117.676 124.125 139.250 130.576 76.343 101.237-143.579 137.158-117.395 113.630 28.202 162.086 124.118 97.696 39.537 145.126-137.709 99.972 30.163 0.000 0.000 100.666 38.445 149.733 -23.477 96.014 54.353 172.882 178.013 93.226-120.174 99.568 -60.407 110.344-118.675 119.404 -75.916 106.852 -32.407 140.906-132.707 114.561 -84.957 132.384-165.617 121.201 68.158 157.583-155.612 140.989 -88.501 117.090 -81.780 99.211 41.400 127.713-148.810 93.250 90.306 114.102 -77.707 94.635 4.511 95.983 -52.984 101.340 -94.118 136.558 29.547 95.079 -10.079 127.729 -75.921 101.278 127.475 99.374 -82.047 112.889 31.772 152.844 -26.492 93.872 48.640 128.743 -91.353 94.335 112.774 128.889 -76.817 90.788 -58.296 84.977-111.349 91.491 -49.236 128.013 -76.296 90.007 -44.080 143.032-111.894 89.830 -50.543 138.585 -0.960 90.934 -49.344 158.654-150.025 91.821 -40.381 106.217 -88.458 99.392-166.144 106.532 -77.415 126.318 0.000 145.694 -88.790 # 106 total E -1.04304E+02 rmsd from N 0.000 %NC 0.00 117.225 141.035 152.159 -79.983 95.091 55.231 135.054 51.500 93.655 38.617 137.291 -22.148 96.071-177.478 131.287 -77.113 103.740 -93.848 98.877 -91.652 95.398 57.629 114.591 121.249 91.639-149.751 133.119 -51.345 126.823 152.548 165.006 -98.535 94.739 45.026 119.095-143.602 96.163 29.278 83.425 -96.932 100.895-179.964 156.794-166.399 120.278 46.106 122.843-134.224 92.753 87.920 134.721-135.092 94.117 33.707 137.069-126.164 95.691 59.335 139.672-149.275 96.312 -39.372 119.200-128.470 123.572 -73.646 154.027 -74.944 119.369 -90.775 128.755 41.545 144.537 178.469 144.370 -62.390 93.322 -47.769 142.591-126.747 107.128-135.086 0.000 0.000 93.542 166.266 113.259 -84.033 127.767 27.447 162.207-153.042 92.168 77.418 124.137-146.885 94.477 12.109 113.695 -79.679 103.476-100.413 149.011-107.699 90.784-171.906 138.537-107.314 150.771 175.636 176.445 149.308 88.055-139.905 143.064-119.853 127.336 52.449 124.674-128.373 99.930 -1.364 117.678 -79.637 104.032 63.967 118.730 133.799 93.539 28.642 109.838 -74.497 93.756-128.440 128.532 -75.054 83.639-158.945 105.426 -75.741 86.070 -67.952 134.811-100.000 88.698 -55.622 125.412-105.933 92.875 -20.573 129.494 -76.926 106.924 -39.493 144.739 26.296 121.788 -79.224 161.236 -83.433 95.262 53.951 135.309 -88.401 93.502 58.335 127.372 -35.588 92.040 31.542 108.479 -72.864 101.642-117.394 140.734 -62.208 93.071 142.066 147.047 -23.016 125.602 0.000 142.689 -92.694 # 107 total E -1.04145E+02 rmsd from N 0.000 %NC 0.00 92.657 140.157 130.011 -68.400 131.927 161.654 132.577 24.220 99.103 -28.639 109.910 -75.598 95.789 -54.413 129.292 -77.284 113.687-120.998 105.058 -75.292 97.820 75.864 151.735 175.944 95.572 -10.386 134.001 -43.373 116.244-158.432 141.177 -81.030 130.837 -27.947 147.774-139.660 84.743 101.073 118.510-142.645 107.634 3.075 126.709-138.995 109.350 -61.826 117.119-128.913 93.657 -98.560 147.472 -23.922 128.303 50.876 147.465 150.575 95.307 131.632 113.773 -87.899 129.465 -83.550 133.939-120.722 117.008-136.234 152.477 -76.903 139.051-155.200 137.468 37.501 119.604 -59.757 117.503-122.562 110.550 13.437 149.219 -22.767 109.584-132.759 0.000 0.000 107.642 31.397 115.648 -85.096 96.305 44.072 141.683 -76.000 94.812 37.001 139.838-152.329 94.113 59.545 114.752 -80.408 92.323-140.592 132.777-103.370 93.982 143.544 129.871 -13.777 147.672 -94.224 105.921 -83.898 91.849-122.651 112.143 -78.873 132.590 140.498 121.543-121.598 110.461 151.163 111.860 -77.599 140.661-168.409 139.728 -50.225 96.628 54.093 110.626 -75.129 94.199 30.567 128.182 -76.001 98.768-130.621 142.164 -33.429 90.399 -76.255 117.819 148.923 148.298-142.919 176.372 174.274 116.211-124.573 130.730 -93.138 113.693-101.699 128.012 140.405 93.025 50.752 159.778 -95.206 91.679 43.148 141.626-112.544 90.854 49.000 135.844 -59.628 90.567 54.756 144.653 -38.079 89.403 41.395 151.329 -46.450 95.117 114.455 143.366-119.942 123.422 0.000 145.287 -90.115 # 108 total E -1.03966E+02 rmsd from N 0.000 %NC 0.00 125.408 146.085 138.593 -29.016 129.587 81.934 133.373 36.932 102.769 -17.884 106.751 -74.930 92.576 -68.418 129.708 -76.887 93.875 23.552 143.429-172.866 118.470 -60.463 82.513 -93.864 100.748 123.867 101.321 -42.537 117.407 97.209 149.852 -13.609 112.048 178.209 172.514-164.507 94.624 83.939 109.352 179.722 91.070 64.854 143.097 -95.599 96.984 1.006 98.787-110.736 104.534 146.312 145.384 -38.623 147.666 175.950 165.324-168.441 110.813 15.428 142.070-154.748 104.243-159.177 146.569-111.232 95.201 48.912 145.935-102.880 92.766 53.223 137.820-110.150 92.413 50.327 144.784-160.013 104.122 -96.027 103.289 -80.969 127.034-161.965 0.000 0.000 128.736 -49.275 162.784 120.998 89.895 108.439 152.878-171.869 93.356 59.980 81.356-125.352 93.385 60.804 113.599 -78.702 95.034 -71.659 148.492-110.946 117.507 -50.855 125.214-149.303 113.242-155.122 152.551 -20.737 118.034 -69.366 159.280-139.192 101.187 -31.619 93.498-103.172 107.919-111.116 114.454 -76.055 102.038 123.842 116.939 -24.844 109.588-116.528 116.441 -75.569 92.892 51.359 129.353 -75.637 95.201 42.565 144.969 -33.221 95.665 84.586 155.890-123.435 83.713 -81.024 135.814-140.277 90.924 -43.351 128.179 -76.288 88.258 -53.914 106.289 -56.359 90.428 -42.321 131.970 -76.676 93.423 -46.148 135.127-102.638 92.867 105.576 132.331 -46.628 119.701 128.067 145.823 -28.103 97.031 46.673 155.436 -2.155 108.885-164.921 147.285 -21.128 126.479 0.000 147.652 -88.117 # 109 total E -1.03702E+02 rmsd from N 0.000 %NC 0.00 120.053 146.007 147.332 -58.058 131.592 175.723 135.189 20.473 92.440 -54.015 105.193 -75.234 92.102 -32.100 130.452 -77.283 100.388 -69.322 92.785 -68.670 93.620 87.620 140.886-176.688 116.617 -68.272 151.184 -24.370 131.566 -91.074 133.156 -87.811 101.733 35.853 138.977-173.912 92.107-135.755 89.298 -67.384 123.067-120.920 152.205-179.238 89.316 61.933 104.754-146.721 90.993 134.779 103.336 -89.225 120.996 -84.179 138.264-117.631 94.131 70.906 149.996 -36.870 99.160-108.879 117.698 -95.341 120.658-162.743 151.136 -41.993 119.777 122.375 141.054-133.012 98.532 101.878 127.610-144.932 106.499 -55.158 115.246 -79.579 101.466 150.329 0.000 0.000 139.580 -67.160 176.437 141.498 92.867 48.097 141.613-100.557 94.964 29.928 99.377-116.376 96.645 52.913 117.034 -79.031 97.428 178.381 125.039 -97.586 93.486 82.692 111.974 94.432 121.023 -96.875 109.014 -90.628 98.941 100.093 110.213 -77.696 94.054 67.243 93.468 -64.855 94.287 55.434 144.166 -23.789 93.028 25.969 131.348 177.353 98.187 108.422 112.473 -76.236 148.270-139.485 145.099 -82.566 89.581 71.009 136.959-148.352 90.849 106.368 114.452 -54.057 91.590 -84.788 135.399 -88.359 94.477 -41.698 129.757 -77.813 103.518-109.687 142.339 -82.693 94.008 38.378 127.779 -75.113 94.468 62.141 140.957-111.598 92.418 30.211 127.518 -26.028 102.055-119.642 146.609 -28.606 94.767 -38.392 130.231-119.390 106.329 -21.041 106.216 -72.767 92.418 0.000 129.659 -75.992 # 110 total E -1.03688E+02 rmsd from N 0.000 %NC 0.00 92.837 -31.992 130.734 -88.232 126.710 -90.209 141.497 -59.386 120.001 -70.859 109.865 -80.007 118.585 114.301 157.485 -87.701 135.260-177.679 93.883 -93.821 147.659 138.916 168.802 124.276 101.494 140.725 112.500 -40.650 128.002-155.972 168.977-158.664 107.851 82.835 116.073-125.127 154.426 39.627 102.551-108.260 110.826 -32.185 135.693-117.340 98.433 -36.141 96.601 -93.026 92.041 -44.684 108.300 -77.292 94.456 -45.999 153.939 -26.525 90.819 -52.126 116.163 -88.527 94.164 -42.355 133.639-138.443 94.687 106.406 134.574 -88.246 91.823 50.152 91.570 30.279 90.283 59.879 136.370 137.292 88.785 38.861 142.918-118.040 96.805 29.017 0.000 0.000 135.526 102.761 144.370 8.771 134.424 -68.986 149.396 -6.846 128.069 -67.859 129.242 -71.531 99.777-167.933 116.736 -77.817 132.013-109.952 155.724-164.521 137.178-133.445 127.793-145.882 119.758 97.020 157.526-154.951 100.267 -45.762 146.987-116.829 94.679 -52.678 94.569-100.820 88.870 -77.691 109.905 -80.280 87.499 -61.873 119.109 -42.679 88.909 -69.467 111.923 -73.874 91.044 103.927 129.657 -75.264 90.796 100.721 146.252 -28.420 95.468 -55.331 104.186 -86.567 92.059 99.284 124.960 -58.436 94.260 153.610 129.479 -76.304 92.086-139.685 113.004-146.499 125.470 76.564 161.186 -92.942 94.623 -22.806 139.447-106.650 111.194-138.910 120.395 37.642 132.526-115.056 175.697-163.476 97.200 -21.783 106.569 -84.971 101.888 9.410 143.758 -23.139 92.383 0.000 129.398 -76.119 # 111 total E -1.03656E+02 rmsd from N 0.000 %NC 0.00 121.465 -68.205 150.094 -47.650 135.418-110.243 124.813 -63.852 99.272 65.511 145.435-132.931 93.249 -84.165 129.903 -76.608 93.297 -44.242 89.628 -63.257 105.478-146.889 110.480 -13.455 96.829 16.545 117.288 -43.791 113.655 51.950 159.185 -23.314 93.588 30.721 168.382-168.983 101.369 123.934 126.416 9.717 97.446 -99.817 149.233 165.259 99.585 51.931 97.970-125.768 95.499 145.315 111.550 -92.665 147.474 12.707 168.154-158.972 114.469 56.825 162.610 -25.124 94.768 14.926 135.668-103.614 109.151-123.253 151.735 -55.185 105.279 -87.378 133.059 70.699 139.717 -87.603 140.524 -88.394 95.528 -36.508 137.509-118.634 94.781 -48.606 0.000 0.000 95.254 -44.534 109.066 -80.833 108.517-174.873 136.504 -73.796 93.350 50.439 125.003-159.389 131.003 83.281 115.850 -81.310 104.604 -33.231 148.972 -97.891 96.765 -48.315 135.269-143.063 96.649 -14.673 144.894-132.473 108.391 -55.919 158.549-126.421 94.157 -43.047 94.153-100.545 93.924 -38.699 112.926 -77.209 93.806 -49.684 100.972 -61.808 91.984 111.264 118.200 -71.912 116.797 135.124 142.642 -87.489 100.937-168.284 98.662 -88.118 109.521 22.909 141.870-149.499 94.785 123.259 132.199 152.058 93.791 -37.517 127.203 -75.842 95.750 103.227 99.648 -93.382 136.583 132.726 143.590 -87.217 93.008 43.662 142.102-122.984 92.725 46.794 126.835 -36.303 92.144 52.190 149.297 -33.684 90.190 43.928 143.684-152.158 94.530 120.220 104.083 -81.100 124.736 0.000 144.285 -93.771 # 112 total E -1.03617E+02 rmsd from N 0.000 %NC 0.00 92.495 89.512 123.584 -68.447 108.500 50.844 123.930 58.510 96.514 34.731 143.219-130.536 93.833 50.017 127.841 -74.021 94.559 28.947 165.879 -6.271 100.139 52.628 135.434 120.300 91.546 112.804 113.303 -75.046 146.892 52.498 126.481-114.879 128.310 -88.941 171.356-159.213 120.177 -9.214 87.431 -81.372 94.275 70.731 137.078 -56.860 107.543-157.904 93.651 -88.353 100.196-135.437 142.457-160.708 127.199-164.292 168.454-147.081 112.285 -89.321 110.620 -86.947 136.605-152.258 150.833 -67.477 95.326 -31.681 142.657 -85.785 97.206-130.940 132.271 -88.627 91.008 49.898 144.666 16.449 90.890 57.325 148.702 -42.427 91.511 46.012 0.000 0.000 89.431 49.303 136.070 -87.827 91.083 43.674 127.735 -94.033 92.265 69.758 126.660-121.681 90.677 -69.198 111.117 -76.566 113.854-132.336 139.148 -37.179 93.020 42.770 135.085-129.560 94.604 41.452 145.737 -34.648 96.406 61.868 146.261 -16.785 108.654 -10.002 89.943 -97.399 98.957 66.330 121.191 -79.750 91.476 125.631 124.766-153.415 142.723 -37.054 123.581 -86.303 96.223-112.445 129.325 -76.451 97.909 32.840 106.478 -89.174 93.798 71.555 123.264 120.710 84.998 72.864 133.214 -21.465 91.466 32.269 127.043 -75.110 96.543 101.719 143.937 149.702 93.663 -26.029 129.529 -76.671 98.696 -66.519 147.325 165.976 93.681 -11.298 131.317 -26.387 113.571 178.154 175.114-164.859 120.650 -47.870 143.553-159.471 122.048 175.812 158.392-152.862 125.012 0.000 149.240 -84.326 # 113 total E -1.03582E+02 rmsd from N 0.000 %NC 0.00 92.918 -20.456 139.298-125.129 119.602-131.108 135.464 -19.851 97.491 39.940 146.100 -34.583 93.426 47.324 129.511 -75.747 96.455 34.397 159.915-169.838 97.057 44.765 126.956-179.273 94.894 59.299 107.935 -57.051 138.105-160.770 125.224 -65.783 91.052 71.707 143.975 -31.879 107.078-124.595 142.034-137.928 113.879 166.816 115.657-172.593 97.730 31.814 95.882-121.689 105.493-177.814 142.125-145.003 137.858 -8.628 167.964 3.957 135.645 125.680 163.609 -6.683 103.280 -21.369 144.021-111.735 120.662-120.105 152.600 -56.518 121.458-145.554 136.945 9.431 110.642 3.401 151.196-100.507 95.596 -77.405 145.691 -35.165 93.631 12.060 0.000 0.000 108.991 114.325 131.357 -17.098 92.978 50.720 136.218 -81.518 92.622 42.642 142.970 166.848 94.366 -93.583 140.602 130.524 130.637 -84.759 158.214-165.032 92.593 59.583 119.928-168.415 97.657-103.139 103.412 -88.081 106.219 163.332 152.671-134.192 132.540 145.519 116.468-113.873 96.208 28.466 133.648 152.373 96.140-122.101 155.256 -87.610 138.210-123.239 157.237 -63.768 95.622 33.330 127.342 -75.878 94.861 45.956 103.049 -83.381 91.204 48.378 143.144 -35.708 91.097 47.001 126.390 -96.645 90.803 38.804 128.253 -76.846 92.577 72.405 111.685 -98.516 91.373 -94.150 129.172 -77.366 98.186 -55.504 144.953-155.077 93.394 -33.098 128.768 46.701 106.060 122.101 167.691-138.458 98.288 7.372 152.179 -24.784 100.366 71.318 106.339 -78.648 119.724 0.000 146.770 -84.248 # 114 total E -1.03449E+02 rmsd from N 0.000 %NC 0.00 121.142 -37.223 147.262 -35.951 135.578 -96.220 130.319 -46.500 96.216 -11.472 148.653-151.290 97.769-108.789 127.783 -75.083 93.231 18.903 136.721-124.816 101.535 80.289 129.918-163.817 95.012 9.209 117.192 -36.460 106.245-159.191 128.970 -54.269 103.179 -96.940 141.506-162.367 96.750-147.214 114.399-159.955 102.184 35.344 120.335 179.490 94.615 50.865 119.830-140.876 94.230 43.541 105.643 -86.510 95.293-108.007 151.200-111.825 108.141 -88.518 140.303-152.780 95.108 50.932 149.141 154.088 101.071-134.193 138.964 -84.027 131.573-127.745 149.156 -85.540 92.161 -58.037 103.623-109.894 90.946 -52.322 112.040 -76.682 98.282-172.624 0.000 0.000 92.695 112.528 118.572 96.415 92.341 41.741 112.679 -85.978 98.653-159.354 111.655 -99.666 97.993 153.525 113.831 -77.960 94.336 -44.515 139.797-141.856 94.228 -61.193 139.231-117.512 92.523 113.629 114.502 -84.040 112.818-105.569 108.629 -82.529 98.976 -54.636 95.221 -91.083 90.526 -55.727 114.028 -79.121 91.793 -32.107 134.004-148.477 95.796 -80.451 119.154 -73.277 129.476 30.356 154.945 -91.570 93.953 78.869 140.734-174.416 95.551 27.674 85.301 -83.896 92.778 61.076 148.688 -21.222 89.160 45.725 128.741 -77.507 91.258 55.048 91.249 -98.987 93.520-112.269 128.751 -76.473 96.293 123.547 138.894-121.591 92.493 60.708 126.173 19.734 91.283 57.326 169.124-150.124 89.786 38.647 132.855-160.339 96.937 96.125 144.593-124.152 119.269 0.000 146.539 -81.084 # 115 total E -1.03428E+02 rmsd from N 0.000 %NC 0.00 121.099 -45.186 149.758 -53.587 127.241-116.648 133.927 -58.684 94.765 41.861 107.609 -79.915 94.855 153.182 126.882 -74.223 118.015-176.630 117.041 -93.149 124.658 -63.904 114.121-142.285 91.729 54.676 106.173 -50.890 96.545 41.227 158.407 -41.281 89.891 46.437 146.298-129.843 93.090 41.877 75.821-103.273 93.066 60.578 134.453 -76.537 137.767-129.852 104.313 -92.233 107.309 166.821 99.866 -83.576 118.082-114.032 169.642-162.898 108.303-135.536 133.411-148.254 124.200-100.605 133.707 149.392 104.727 18.698 154.086-134.477 93.776 65.569 139.043-103.659 93.149 22.315 119.967 -78.202 102.359-112.211 149.004 -26.674 95.816 -53.524 0.000 0.000 107.895-154.502 140.375 -1.153 105.134 -48.776 138.230 -78.131 94.193 -40.655 116.190-106.942 100.607-124.876 111.920 -74.432 93.439 35.840 146.565 -37.692 94.045 60.844 144.846 147.116 92.153 -35.931 153.734 -26.263 131.152-164.511 176.419-176.196 120.509-102.915 115.721-121.019 114.808 10.447 129.271-142.850 95.383 57.526 132.547-100.085 95.890 113.214 118.716 -70.103 91.811 54.420 131.913 -77.944 90.861 34.632 138.250-138.671 94.803 164.679 111.536 -19.355 101.843-115.543 151.952 -19.196 91.563 44.558 130.167 -78.258 92.109 56.054 120.311-131.979 92.623 39.444 127.368 -75.677 102.708 -66.343 162.159 -46.939 127.682 172.555 108.172 -46.019 136.054-171.338 163.066 -1.398 103.142 -13.809 109.959 -84.875 115.801 50.018 109.176 -77.259 120.513 0.000 145.588 -86.448 # 116 total E -1.03384E+02 rmsd from N 0.000 %NC 0.00 93.051 -67.087 123.004 -64.367 94.080 -51.340 108.379 -62.407 93.388 -37.984 142.723 -18.313 93.314 -58.726 129.062 -76.725 99.798-146.430 105.003 -73.306 102.244 124.035 132.151 122.167 91.710 -31.038 116.831 -48.050 98.009 -64.040 149.158 -73.507 106.632 -55.264 129.118 -88.604 92.996 -84.632 119.255-125.006 109.037 153.991 109.220 174.963 125.237 -54.260 112.106-113.483 84.906 79.859 98.448 -84.000 89.943 75.262 139.684 -59.231 92.249 35.888 140.168-148.139 96.536 90.752 136.821-102.536 138.145 -5.339 144.000 -56.128 104.591 -7.129 116.564 -72.399 104.810 -72.852 100.026 -78.647 91.547 41.653 141.355-120.639 129.100 -16.376 0.000 0.000 136.513 -81.801 102.576 -76.418 90.738 21.623 142.734-104.855 114.497 -62.944 140.187-167.829 131.271 -60.196 123.909 -78.207 105.216 72.813 167.219-169.961 93.161-100.108 141.220-126.649 127.881 171.309 168.293-173.337 96.550 46.456 143.071 -26.610 95.581 83.755 98.851 -93.243 110.418 141.826 117.779 -77.202 92.961 -15.382 132.389-120.686 101.855 -97.008 108.999 -73.364 90.592 70.727 130.478 -76.648 93.134 117.858 143.575 -11.634 92.852 -95.172 91.272 -98.650 99.007-172.061 138.009 91.383 92.824 -76.790 127.619 -76.798 87.529 89.800 112.003-154.950 97.401-152.970 127.304 -76.803 93.455 41.408 144.322-133.669 97.822-143.886 133.161 -55.098 118.088 -98.295 157.531 -22.760 96.271 28.123 136.861-117.993 99.608 64.076 99.789 -77.634 92.562 0.000 128.780 -77.023 # 117 total E -1.03211E+02 rmsd from N 0.000 %NC 0.00 93.203 -95.880 120.505 -55.760 109.678 -8.638 156.338-176.777 94.407 -62.290 136.394 -37.727 91.842 -27.672 131.052 -77.642 99.625 -79.425 101.740 -76.839 97.902 31.139 122.602 164.610 99.697 -99.310 111.922 -34.770 109.777 112.358 130.445 -40.129 109.202 118.031 157.187 -6.475 105.234-119.581 71.309 -88.408 115.988-156.747 154.891-166.314 102.795 -67.630 120.174-136.606 94.898 166.941 134.904-162.725 124.646 -33.502 149.483-108.490 91.370 107.148 134.097-137.429 98.830 -57.367 113.099-126.091 97.750 74.820 139.373 -84.045 118.674 155.472 141.791 -28.336 126.408 129.617 117.362 136.237 101.717 -72.818 135.180-113.348 96.370 153.702 0.000 0.000 111.810 81.972 111.003 -83.179 89.869 -62.094 147.465 -88.336 91.963 -63.995 115.581-147.183 87.506 -60.484 127.215 32.678 92.231 -31.273 166.610-151.730 97.268 -52.783 142.446-126.494 95.129 -26.868 144.080-133.428 106.738 140.773 111.952 -80.408 95.556 31.730 96.131-111.462 109.161 -84.859 116.964 -76.969 118.662-108.320 128.606 -44.863 94.091 43.825 114.049 -76.168 94.058 50.905 128.472 -76.031 95.177 147.264 142.078 -34.565 144.756 67.816 161.120-154.869 144.125 -92.051 173.925-179.810 140.534-105.408 144.154 -90.812 95.560-142.554 87.438 -75.947 94.387 54.880 130.164 -76.736 93.017 29.364 121.923 134.142 100.479-163.839 101.328 42.667 119.123-116.595 165.065 -8.928 104.920 -54.109 133.352-124.048 103.406-179.548 147.268 -14.275 126.813 0.000 146.622 -89.858 # 118 total E -1.03116E+02 rmsd from N 0.000 %NC 0.00 92.512 -20.529 117.135 -49.099 121.659-133.612 137.684 -52.896 93.022 48.806 147.446 -29.564 92.020 49.927 129.240 -75.076 91.793 42.482 146.800 -8.183 95.288 36.770 145.048-137.862 97.744 44.272 111.081 -68.308 98.910 -9.831 145.859 -93.032 124.937-161.603 150.697-110.602 105.522-149.092 138.506 16.744 120.315 -60.083 146.271-139.727 97.020 -27.646 94.660 -99.021 98.153-112.414 144.200 -14.587 94.153 44.633 147.143 -39.855 95.792 59.896 154.023 -36.884 93.803 8.896 137.129 -77.637 118.874 169.683 141.754 -20.962 125.487 173.646 134.659 30.065 115.617 167.985 123.325-124.436 119.248 13.969 157.378-179.466 94.914 87.432 0.000 0.000 96.996 67.132 102.243 -84.263 118.330 172.719 126.863 -60.737 92.460 36.034 123.614-169.532 114.806 -93.805 113.639 -75.608 132.186 77.479 165.284-162.491 96.880 50.717 125.973 144.519 96.230 -70.200 144.484-107.136 126.958 -93.911 114.929 -88.497 134.980-152.834 112.221-103.415 117.407 19.553 134.945-148.469 92.471 -60.787 111.201 -58.415 94.525 -25.198 114.942 -67.181 95.485 -64.377 126.861 -75.760 89.827 -15.729 131.080-153.742 107.929 54.001 109.849-113.297 136.916-142.432 132.148 -75.833 92.880 57.189 131.403 -76.317 97.599-137.629 127.709-116.488 91.132 100.991 153.313 -99.104 93.732 57.170 139.380-106.095 94.073 79.448 126.419 -13.747 90.916 -81.622 152.564-116.073 95.599 -41.400 134.946-139.889 105.429-148.347 147.714 -18.913 126.831 0.000 146.152 -90.162 # 119 total E -1.03097E+02 rmsd from N 0.000 %NC 0.00 119.711 151.129 149.754 -71.461 110.336 29.030 121.756 59.304 91.982 53.067 111.501 -70.228 91.642 35.206 129.511 -76.615 98.873 165.034 138.917 -9.253 118.339-107.515 120.880-144.333 113.052 104.186 108.496 65.671 97.249 -33.221 110.825 -80.944 90.784 -55.489 120.376 -59.358 90.443 48.863 141.140-138.758 142.473 -71.906 138.804-174.461 115.787 -53.482 114.634-119.995 94.936-135.911 135.660-148.845 137.538-136.937 160.418-177.353 100.168 0.346 152.421 -31.146 96.226 -98.701 128.415 -89.655 95.239 7.972 163.142 -97.613 105.090 77.601 139.395 118.657 94.702 32.336 82.175 43.661 96.317 123.975 134.915 -40.271 113.472 -59.476 0.000 0.000 99.356 -31.657 158.095 169.571 107.680 -32.089 117.041-117.976 95.870 -33.998 120.463-161.966 102.365 -38.743 130.627 6.026 117.271 175.905 163.348 -14.378 135.555 -87.044 133.092 171.263 95.938 72.367 152.129 -17.483 95.098 70.402 115.472 -82.165 91.827 68.632 106.782-103.411 89.486 139.323 114.199 -79.066 101.750 -64.183 110.777-105.374 113.156 36.653 117.483 -76.866 93.528 -88.367 128.585 -75.825 92.185 11.636 149.838 -5.306 109.556 145.519 165.464-152.322 95.842 52.387 139.368 -45.805 92.278-108.551 127.052 -75.144 84.598 -68.131 132.217 131.956 91.482 -47.397 130.306 -75.736 92.534 -51.581 128.778-112.698 92.176 101.927 134.062 -51.930 108.733 73.527 138.331 -45.160 157.240-168.828 115.455 -84.884 94.759 110.137 101.175 -80.636 121.080 0.000 144.696 -83.915 # 120 total E -1.03013E+02 rmsd from N 0.000 %NC 0.00 92.629 67.249 137.965-101.503 130.681 176.080 140.018 -32.492 101.994-126.465 144.692 -12.849 92.296 51.689 128.273 -75.094 93.940 48.547 131.012 -46.228 108.297 -4.428 51.975 -65.020 114.324 54.751 127.405 -17.529 94.345 74.787 141.386 -71.498 107.864 -17.802 127.829-114.616 96.239 67.127 126.154-161.042 113.122 107.411 107.608-138.631 118.920-123.307 121.552-128.328 104.275-153.975 107.343 -84.165 142.965 106.637 160.708-164.532 105.563 -6.017 140.508-161.371 106.503 117.204 154.610-113.007 134.299-161.686 145.909 -90.999 114.694-173.191 144.399 -7.596 110.085 -39.899 143.113-162.494 96.233 -67.574 108.234 -80.700 95.460 102.257 0.000 0.000 136.017 -22.008 176.433 148.611 118.901 163.163 134.077 -87.988 94.021 68.490 117.369 168.377 117.782 170.116 114.350 -80.286 120.250-159.610 158.090-155.868 97.417 -64.132 139.179-103.100 95.247 -8.166 145.052-135.743 116.413 135.107 111.225 -81.851 136.723-131.752 107.107 -97.872 98.744 160.299 147.320-152.999 102.031 -15.441 106.064 -97.785 98.817 137.480 107.823 -73.885 137.496-142.871 157.253 -89.490 95.526-174.506 97.757 -84.182 142.788 133.653 172.531 12.313 94.308 40.697 141.250 -36.110 90.762 50.724 127.062 -74.292 88.832 52.692 130.279 161.684 90.962 42.827 127.919 -74.456 93.279 35.699 137.544-119.325 92.963 48.280 133.875 -44.062 90.929 51.382 132.558-118.856 90.412 42.952 131.152-144.826 95.491 102.414 104.865 -81.076 123.089 0.000 144.882 -90.948 # 121 total E -1.02703E+02 rmsd from N 0.000 %NC 0.00 93.242 -71.035 126.611 -73.469 99.177 -33.421 119.021 -78.093 93.494 -57.347 105.983 -78.173 91.737 -16.871 130.496 -77.146 113.167 178.537 85.405 -67.071 128.627 44.604 136.222 6.197 112.252 -7.081 136.121 37.584 96.127 65.782 176.441 172.482 89.830 129.095 133.981 124.113 80.628-112.790 111.766-135.292 127.184 -22.069 176.482 0.018 91.209 68.597 106.447 -94.205 89.287 128.277 104.112 -86.388 92.615 -44.153 129.389-122.422 92.238 -51.264 108.610 -86.450 91.161 -36.780 134.982-101.683 103.129-145.679 156.752 161.210 92.012-120.890 134.085 -88.614 94.540 32.535 95.546 88.505 96.058 64.028 150.499-170.294 93.251 12.645 0.000 0.000 105.160-139.359 148.284 15.823 107.461 -58.865 159.096-141.369 89.811 -52.168 111.964-129.679 88.220 -87.220 138.672 -27.958 89.432 -70.321 138.722-110.921 90.771 -15.406 138.147-107.452 100.998-111.983 109.149 -84.847 151.369 105.721 132.588 -87.235 114.810 37.958 125.268-136.753 97.796 37.532 123.460-121.752 93.974 55.750 132.396 41.090 91.586-121.497 111.103 -74.814 94.190 -85.391 128.054 -76.485 94.770 87.588 145.672-158.043 117.609 -21.493 137.591-148.172 125.197 117.831 158.057 -14.800 94.788 4.445 131.853 -78.118 108.772-132.586 142.444 -16.278 107.816 32.612 144.342 -79.714 94.384 46.184 140.434-107.128 94.708 35.706 123.991 -13.185 94.063 57.115 150.178 -31.194 88.894 42.762 138.786-148.720 95.879 121.943 146.560 -24.212 123.714 0.000 145.571 -89.212 # 122 total E -1.02515E+02 rmsd from N 0.000 %NC 0.00 124.710-151.083 145.938 -48.190 93.647 -54.037 132.267 -77.658 92.859 -49.190 108.834 -75.795 94.091 136.843 130.041 -77.102 96.336 83.517 146.125 129.711 102.477 -4.967 104.012-147.439 97.947 66.400 116.924 -69.056 132.965 -65.191 158.503 -78.657 129.956 -73.858 145.636 -85.463 93.246 -14.306 103.502 -83.721 105.184-123.419 134.246 -88.749 91.216 49.223 105.017-118.605 96.156-112.116 129.604-117.998 104.679 143.150 140.228 171.151 115.318 77.068 148.010-174.010 89.697 -76.043 117.131-101.303 89.378 -72.963 136.925-117.933 92.033 -74.023 154.391-136.358 94.366 22.188 121.337 -99.610 109.427 -79.029 143.194 -44.484 94.004 -81.399 0.000 0.000 93.193-125.304 135.319 -0.125 121.349-146.365 162.260 -84.426 92.471 51.408 110.387-173.023 93.624 148.989 108.827 -74.286 92.108 56.014 148.421 -41.020 94.073 33.960 138.338-139.645 97.792 52.569 145.191-132.354 97.476 -1.885 144.897-109.898 122.615-108.172 118.262-122.648 95.621 -52.271 112.841 -77.698 94.721-179.765 120.126 15.951 89.807 -58.659 110.261 -74.393 91.220 -49.713 126.716 -74.602 89.965 -44.899 101.686 -88.471 94.631 120.047 133.851 -20.968 91.665-168.217 161.803-167.281 93.071 50.368 131.603-112.861 96.373 117.240 93.402 -81.676 133.326 143.616 152.496 -87.078 94.448 37.302 141.514-121.374 105.793-163.132 119.675 -62.754 123.765-159.294 153.613 -13.139 106.689 -41.811 135.326-119.352 113.386 107.196 151.616-138.212 92.532 0.000 129.721 -76.297 # 123 total E -1.02452E+02 rmsd from N 0.000 %NC 0.00 123.315 -93.411 148.822 -51.086 98.230 -38.923 130.404 -81.832 92.418 -48.032 103.080 -77.932 90.874 -46.430 126.978 -74.114 90.130 -46.403 148.866 -21.193 90.334 -46.605 69.740 -55.704 91.357 -77.354 126.963 8.415 115.800-124.450 172.868-166.683 91.546 46.642 117.872-107.286 93.477 42.822 97.399 -86.643 93.603 44.088 154.088-110.830 96.666 42.371 91.394-112.296 96.492 97.341 133.453-115.307 88.840 -74.761 133.997 -91.147 95.824 -40.515 150.539 -29.020 99.039 -24.322 140.787 -87.759 105.063 -34.846 140.651 -2.810 96.214 -33.629 151.319 -23.819 105.673 -22.733 118.297 165.849 100.368 -37.783 103.114 -84.547 100.922 -25.019 0.000 0.000 106.085-134.733 157.780 163.015 128.447 -18.875 129.464-114.530 119.942 -89.354 140.483-162.594 92.551 53.153 111.979 -73.467 92.482 46.676 143.186 -43.421 91.242 46.560 142.315-148.346 91.371 52.134 112.965 -90.944 92.197 26.444 153.112 -25.400 117.782 129.633 113.218-117.890 140.136 177.172 129.016 -86.779 130.972 116.329 119.384 32.583 96.820 -25.553 135.526 -22.346 96.846 -66.611 127.980 -75.797 94.059-115.211 139.870 -29.254 120.637-148.627 142.968 163.988 146.311 169.415 145.839-145.399 109.566 107.358 145.150 -95.118 93.979 -52.880 106.400-128.055 92.944 -49.277 129.231 -76.171 95.817 172.190 132.546 10.202 118.015-133.272 121.490 -15.003 136.573-172.076 176.000-167.032 96.974 40.160 100.195 -86.618 110.118 11.184 105.050 -80.289 92.447 0.000 129.052 -76.298 # 124 total E -1.02147E+02 rmsd from N 0.000 %NC 0.00 122.755 -96.609 150.532 -72.157 95.050 -50.690 110.242 -83.038 89.897 -51.017 104.183 -78.654 90.839 -51.906 129.708 -76.890 91.720 116.848 97.452 -70.641 95.636 51.056 154.911 3.355 91.022 48.929 143.716 -26.399 90.024 51.313 128.141 -53.127 89.879 45.723 141.556 -33.329 89.664 48.911 87.345 -97.150 92.575 42.007 136.291 -87.670 103.564-117.186 98.596 -93.584 99.889 121.405 142.930 -27.947 134.050 -73.809 172.069-162.486 123.134-115.984 143.261-137.279 98.349 -19.607 132.819-135.720 107.080-178.048 149.076 136.733 95.506 -35.410 133.728 -48.806 98.880 -79.266 96.902 -84.877 89.282 103.869 139.485-129.892 97.563 47.615 0.000 0.000 91.612 111.080 115.349 -79.130 111.694 -74.584 119.074 -98.813 91.671 74.330 122.484 108.306 93.093 101.779 113.653 -76.900 91.346 -71.583 141.814-119.431 98.660 -35.690 142.359-162.118 115.659 -6.674 117.901 -92.335 123.238-101.910 123.023 -78.419 95.724 43.110 104.294-111.320 96.658 58.055 141.420-175.997 92.075 39.073 151.594-173.125 97.373-116.226 110.054 -74.721 92.281-118.840 128.045 -74.295 124.583 -40.068 150.831-146.075 111.039 8.479 127.708-131.219 94.055 -69.212 115.529 -88.356 92.084 10.882 129.112 -75.591 114.122 -68.891 143.691 143.160 132.848 43.632 155.416 -89.445 107.022-115.005 143.601 -37.674 91.790 53.345 142.776 -72.920 94.837 71.907 136.439-177.225 92.182 2.029 107.344 -80.931 107.413 74.230 148.359-116.749 92.604 0.000 128.963 -77.091 # 125 total E -1.01910E+02 rmsd from N 0.000 %NC 0.00 124.116-132.792 147.940 -60.368 94.993-130.575 141.898 -97.130 141.437 2.056 172.556 167.396 127.218 -83.572 155.197 -86.498 91.626 55.238 126.758 133.424 90.958 37.742 124.653 -1.158 93.831-101.879 113.027-105.031 122.707 90.318 139.469 -67.114 122.824-106.951 171.108 -10.803 106.850 132.728 106.223 -90.368 96.518 67.774 127.927-129.209 120.557 -66.566 115.714-119.637 103.543-151.994 106.046 -83.832 127.899 89.490 160.155 171.385 110.468 -3.611 111.332 -87.280 94.601 63.984 139.132 -84.972 93.264 29.101 114.085 -35.404 98.973-114.672 118.235 -10.638 107.491 -17.380 126.998-127.910 98.308 -54.349 142.851-128.494 98.323 26.950 0.000 0.000 133.640-108.023 164.294 10.620 103.067-158.972 141.417 -87.776 109.915 -57.127 137.160 170.226 92.254 135.169 123.087 -79.141 120.187 -95.301 128.603-120.269 92.952 94.770 138.835-112.891 94.916 -34.998 135.603-105.560 107.774 116.788 117.709 -84.225 97.573 49.224 126.148-146.678 94.147 40.635 113.866 -78.318 94.967 74.263 124.617 -72.481 153.511 -58.966 128.633 -87.948 92.215 -88.423 126.944 -75.142 82.410 -90.476 97.190 -78.471 89.236 36.352 144.262 -24.205 109.534-175.434 138.796 -80.249 110.931-137.876 146.108 -92.144 92.410 75.592 115.224-155.644 93.180 5.978 128.308 -76.162 106.949-121.208 130.132 -60.628 90.632-110.587 127.451 10.433 92.459 -62.219 153.577-139.735 93.002 -41.574 141.610-134.145 100.083 115.630 146.347 -24.116 92.434 0.000 129.231 -75.905 # 126 total E -1.01551E+02 rmsd from N 0.000 %NC 0.00 125.183 -97.188 144.260 -25.679 127.436-104.777 125.196 -47.329 93.519 42.506 149.193 -37.637 93.545 54.527 147.371 -93.007 98.444 121.361 151.056 154.278 100.122 -10.274 107.746-153.050 92.832 -70.881 109.048 -47.468 89.476 -12.078 141.066 -75.631 109.007 126.981 157.122 152.334 88.097-148.953 78.971 -69.433 126.337-147.847 169.519 -5.293 96.564 21.648 126.647-147.358 101.756 -90.212 103.154 -81.574 101.208 -32.627 150.428 -27.523 107.618-103.500 115.864 -83.622 117.949 9.098 128.108-133.069 93.466 60.784 137.425 -77.657 92.339 38.924 143.274 -80.869 92.784 61.660 125.949 118.977 89.844 29.034 141.840-132.877 96.695-120.257 0.000 0.000 100.608-100.027 103.609 -68.030 97.673-105.220 138.373 -77.097 91.765 55.944 114.599-146.512 95.332 61.424 113.186 -77.605 118.635 169.982 174.763-139.129 94.198 42.746 141.429-133.817 98.647 -93.710 104.853 -86.088 113.226 -14.299 125.184 -87.689 103.669 125.985 99.689 -91.821 99.234 38.242 112.390 -78.953 98.633-111.533 111.210 -55.437 94.969-149.540 114.437 -71.510 93.412 -50.903 128.289 -76.183 92.601 -37.333 137.517 -47.135 90.465 -49.959 105.135 -53.987 89.405 -46.205 154.592 -23.627 91.919 -68.642 126.869 -75.687 85.720 179.932 120.604 -31.368 93.525 -60.482 139.775-112.962 92.444 -54.184 137.054 -90.072 94.349-157.736 126.330 -5.009 121.760-138.518 151.610 -18.223 95.722-122.515 131.075-128.889 129.432-116.410 165.876 179.563 93.129 0.000 129.247 -76.982 # 127 total E -1.01414E+02 rmsd from N 0.000 %NC 0.00 93.116 -80.798 121.660 -60.603 101.813 -35.560 146.168-114.486 97.918 -31.215 110.301 -79.921 122.206-115.066 127.096 -62.101 93.252 44.989 110.010 -27.855 95.384 45.068 136.691 8.555 90.506 56.155 120.632-136.470 92.458 23.275 117.490 -96.043 103.967-133.915 148.125-100.236 106.713 133.348 111.411 156.028 114.689 -73.930 149.294-116.620 110.136-128.534 95.603 -93.475 115.464 141.230 136.520 -10.373 121.122 107.838 137.022-116.873 132.855 28.830 148.897 169.742 115.393 -15.544 153.510-142.463 94.073 78.186 137.558 -75.715 92.407 5.440 124.696 -69.334 105.063-106.391 132.841 157.025 100.277 -39.106 144.990 -37.158 96.241 112.515 0.000 0.000 148.534-165.943 97.141 -79.355 106.140 90.183 168.449-113.935 94.834 95.854 108.165-144.992 127.916 56.919 121.932 -80.812 92.243 -64.004 152.706-117.490 94.162 -23.588 137.859-121.556 106.051 177.724 111.195 -83.360 110.913 -81.523 110.836 -83.928 131.124-159.162 108.707-101.729 114.460 104.381 119.596 -80.510 147.400 -13.534 111.931-118.622 102.961 29.932 115.966 -76.791 94.183-100.614 128.425 -75.589 88.566 46.125 142.097 -24.982 113.711 91.918 145.201 -33.159 137.486-118.216 142.387 -70.676 93.925-114.567 129.672 -76.286 92.776 48.090 116.323 -56.797 93.846 48.597 129.230 -76.415 94.199 43.075 144.901-128.986 91.387 54.228 122.444 37.065 91.884-140.074 115.343-143.176 96.379 9.552 144.405-166.242 107.601-170.813 150.832-136.888 126.955 0.000 147.400 -90.293 # 128 total E -1.01401E+02 rmsd from N 0.000 %NC 0.00 92.503 122.011 123.282 -48.156 95.252 47.305 155.464-142.426 94.627 45.424 106.774 -80.583 93.141 101.860 129.681 -76.566 96.739 -54.475 95.797 -90.653 93.132 -66.643 104.441 -67.989 91.354 41.998 107.504 -65.186 136.886 -83.185 151.665 -43.408 104.558 109.191 133.894 -41.280 94.567 51.371 123.058-128.176 109.089 33.700 134.706-151.448 98.506 33.846 94.907-112.522 96.021 41.941 150.243 -30.705 93.372 47.005 117.995-107.918 90.498 46.509 107.972 -93.618 93.192 79.889 131.774-109.076 87.935 -81.507 130.512-100.150 93.909 -46.923 128.657 -72.277 90.459 -51.047 91.348 -58.984 89.935 -41.230 143.315-135.092 94.456 -58.730 0.000 0.000 90.131 80.584 122.480 -99.298 125.284 52.343 162.728-123.713 92.837 44.677 131.362-165.918 94.338 76.965 117.996 -76.199 89.646 -81.282 151.160-129.001 98.126 -56.253 137.281-100.327 93.562 -30.768 109.348 -83.835 103.143-121.209 153.789 -16.289 133.951-177.930 109.176-101.332 96.099 115.158 115.304 -77.823 101.476-117.218 110.087 -81.346 91.324 54.748 113.571 -73.189 92.213 39.985 128.619 -75.812 93.561 172.796 147.801 178.013 109.451 -21.272 122.443-135.868 91.823 -51.568 139.609 -47.877 93.445 -31.857 131.482 -78.329 97.860-146.006 124.284-154.387 95.142 32.682 130.329 -77.796 96.951 50.846 140.161-119.510 98.770 139.126 129.587 -31.141 133.381 161.509 160.470-175.394 104.691 5.761 134.385-133.916 110.026 109.686 101.300 -78.103 123.915 0.000 149.632 -89.507 # 129 total E -1.00984E+02 rmsd from N 0.000 %NC 0.00 93.045 -40.416 137.845-108.417 120.602 47.264 151.488 -71.189 126.006 165.331 143.631 -13.497 113.797-169.275 149.413 -76.666 107.556 -12.959 111.372 -97.767 116.005-125.715 148.824-131.480 93.257 80.500 104.658 -56.423 119.235 -36.344 113.454 -75.212 91.068 69.305 143.317 -33.230 88.980 41.426 125.734-139.116 95.196 167.067 106.915-124.100 129.944 -96.980 112.669-111.373 90.430 71.269 110.265 -87.797 93.074-104.627 139.845-119.603 99.174 -46.051 138.401-149.571 104.830 158.266 150.494 149.632 120.128 -8.374 145.728-174.892 98.981-129.293 149.085-156.283 100.902 59.500 121.579 82.280 128.531 -18.731 151.571 1.359 96.638 137.679 0.000 0.000 96.293 32.171 124.157-101.634 96.259 55.411 134.022-100.734 92.404 4.921 122.023-129.741 113.210 168.574 112.350 -76.368 92.600 43.447 156.177-151.632 95.960 40.624 138.407-133.767 98.526 40.248 145.115-132.005 97.709 16.229 142.885 -96.769 122.517 157.096 117.336-122.208 126.056 108.194 144.836-165.771 92.647-112.646 119.146 -41.297 95.228 36.208 127.081 14.849 95.131 96.849 129.226 -76.135 99.214 -48.042 98.381 -72.758 96.672 73.249 138.366 -41.463 122.850 173.919 143.581 -80.445 92.924 -38.869 137.123-101.921 97.955-111.305 120.473-111.735 90.112 59.138 131.645 -77.463 92.092 48.071 141.638-104.551 93.435 83.165 126.546 -23.037 90.994 -70.422 146.791 -94.153 98.300 -55.317 101.139 -88.326 94.683 129.496 104.101 -77.635 122.967 0.000 143.658 -86.816 # 130 total E -1.00954E+02 rmsd from N 0.000 %NC 0.00 93.350 -79.757 131.042 -94.749 93.655-128.307 118.832 -58.727 100.844 25.243 152.724 -4.558 106.067 42.357 152.357 -73.840 94.140 40.716 139.074 20.071 95.006-144.158 158.275-160.409 128.202 160.205 118.394 153.455 97.497 -47.983 123.797-105.138 101.977 172.477 147.402-153.894 86.946 70.424 116.449-147.396 105.716 36.714 109.456-134.019 100.413 -88.100 93.207 -92.043 91.420 -57.373 140.133-137.353 124.224 150.830 150.315 142.764 118.279-150.416 107.582 -89.687 94.394 60.824 149.845 155.272 93.917 57.704 137.132 -88.418 93.447 128.369 129.653 -47.289 126.733-165.784 129.308-117.518 121.013 -62.437 151.004 -21.198 108.521 -5.023 0.000 0.000 108.369 -54.753 146.743 116.209 115.695-112.610 159.589-173.754 105.119 6.062 115.919-151.789 95.602 70.904 119.467 -76.828 90.933 118.599 154.710-141.099 93.288 49.434 134.306 151.469 90.589 45.101 154.264 -20.612 93.938 52.610 139.828-119.091 95.125 41.737 129.835-151.902 93.062 64.791 114.190 -79.287 93.673 -28.902 106.903 -62.885 118.291 111.079 117.065 -76.848 144.796-149.803 150.293 -77.707 102.939 144.887 135.965 -53.856 145.734 -31.829 171.482-178.523 123.967 37.651 154.274 -95.737 141.401 -79.593 134.797 -91.457 88.743 89.283 114.776-108.352 93.652 14.637 127.866 -76.382 98.954-100.746 139.508-104.055 94.686 141.608 136.480 -71.171 116.280 153.587 131.459 -86.406 97.657 45.178 139.587-170.892 109.635 154.114 151.033-137.325 123.950 0.000 148.728 -83.244 # 131 total E -1.00926E+02 rmsd from N 0.000 %NC 0.00 92.530 22.902 126.456 -69.932 102.851 -62.238 127.788 -74.887 97.424 -26.562 144.900-141.606 99.669-134.324 129.078 -75.826 115.464 38.492 117.545 -89.449 92.655 46.774 157.932-160.030 94.162 20.464 67.952-128.655 110.374 172.429 121.560 -83.784 101.695 -36.202 146.221-164.619 89.500 -54.868 112.059-159.210 91.606 102.946 122.674 171.567 127.824-121.191 110.352-109.913 108.088-100.673 108.718 -80.606 90.090 66.187 149.265 -27.948 91.799 43.700 141.735-147.155 92.872 49.950 137.400 -72.015 95.889 -64.147 137.261 -77.794 130.265 171.118 134.748 -61.065 106.704 39.577 142.857 62.667 95.608 41.717 110.320 -81.027 97.972 155.339 0.000 0.000 99.140 -98.271 150.780 -5.623 95.013 49.133 139.653 -86.393 104.026 -86.021 122.619-123.950 112.762-108.736 117.424 -76.729 95.445 47.210 140.135-143.981 93.114 47.072 140.724-136.298 92.231 46.064 142.926-127.551 97.677 130.326 108.756 -76.901 93.319 112.941 97.575-115.064 95.476 -46.080 111.437 -78.823 92.628 -49.392 127.604 -79.700 90.906 -64.248 115.754 -72.089 99.774-130.406 130.392 -77.653 125.044 83.665 146.955 -20.873 107.844 -25.685 135.009 -36.363 89.864 -72.295 144.498 -32.921 91.899 -10.488 129.571 -75.813 107.762 118.492 79.745 -88.233 130.655 -21.801 164.950 -82.539 96.505 45.281 132.747 -97.309 93.730 47.631 127.894 -26.204 96.188-115.274 118.713 -95.886 119.547 24.290 100.744 -85.946 126.431 103.255 145.029 -28.234 92.700 0.000 129.259 -77.438 # 132 total E -1.00899E+02 rmsd from N 0.000 %NC 0.00 92.661 133.077 132.254 -69.585 94.161 49.797 149.514-137.359 94.823 96.767 143.380-150.520 92.660 -40.773 126.948 -74.618 104.232-164.770 124.780 -42.217 97.255 65.390 127.888 142.978 124.494 140.985 118.676 15.775 96.276 -27.493 143.435 -83.169 99.014 -66.503 149.799-141.504 95.287 119.208 116.277-150.918 125.925 -84.716 129.678-112.844 86.480 167.932 103.762-114.419 160.111-139.656 101.552-106.384 132.810 -73.929 160.559 147.030 99.587 -23.892 108.832 -90.946 103.713 107.326 143.202 125.570 97.189-173.263 136.585 -91.651 128.297 118.988 141.061 -6.214 126.044 -94.838 118.829-159.936 97.874 26.080 145.453-139.934 100.244 137.956 0.000 0.000 93.692 47.690 112.025 -87.409 89.904 48.044 143.958 -82.929 90.049 44.069 113.175-125.740 89.427 50.844 114.937 -81.298 89.414 50.488 135.905-104.031 91.052 55.734 134.316-129.403 91.030-111.913 144.856 -41.171 97.257 130.153 148.245-123.299 96.404 125.679 99.084-100.520 96.061 28.249 149.344-149.374 93.788 106.130 135.591-108.571 97.963 -22.060 113.296 -76.423 96.063 -64.727 126.777 -75.289 92.995 -25.610 102.216 -78.477 96.781 -63.847 143.861 -36.790 90.459 124.226 157.523-133.576 116.964 106.628 124.714-111.402 113.295 10.148 152.569 179.473 93.921 -76.900 129.397 -76.317 94.042 16.696 140.177-111.273 113.400 178.953 129.752 20.072 120.267 -13.008 131.625-112.883 114.930 -98.338 107.510 -88.099 121.370 167.789 109.055 -77.969 92.730 0.000 129.635 -76.241 # 133 total E -1.00864E+02 rmsd from N 0.000 %NC 0.00 92.654 61.450 137.379-102.469 133.823 136.194 127.486 -0.801 110.869 161.428 142.982 -8.616 92.523 -65.601 126.730 -74.695 104.210-128.781 121.068 -14.041 89.042 66.899 125.514 130.713 88.760 46.658 105.595 -10.349 93.269-145.965 100.676 -50.569 90.350-130.971 151.983 -42.226 93.325 60.549 99.294 -92.001 89.951 164.377 139.906-102.904 99.908 87.141 126.799-149.090 82.137 -96.383 121.828-139.511 92.536 -27.448 102.513 62.414 99.693 142.909 156.888 -18.731 94.680 64.639 150.420 172.697 99.549-172.800 146.499 -60.913 92.622 75.369 139.287-103.328 92.893 44.544 115.693 -86.293 98.786-136.365 140.423 -28.974 90.917 -47.415 0.000 0.000 90.457 -48.811 128.674 -90.214 90.869 -48.696 123.104 -93.252 90.501 -44.392 119.350-127.857 90.024 -50.898 111.414 -72.009 91.118 -39.012 137.102 -89.968 95.620 -50.174 127.563-149.297 95.086 67.211 152.187 -18.885 124.669 -97.754 112.681 -85.290 127.032 -23.617 115.971-114.722 113.168-139.986 123.951 -79.291 91.975 53.822 116.108 -96.400 94.776 67.053 108.711 -76.863 91.573 -89.759 127.943 -76.051 95.100 -76.050 143.272 -30.891 93.785 141.100 123.450 122.270 135.569-133.592 131.064-101.021 96.271 132.639 129.165 -76.206 128.273 8.935 140.780 -59.436 128.153 -98.259 135.304 -90.630 91.957 48.041 140.714-105.297 91.278 48.643 126.602 -20.313 90.951 54.358 142.961 -34.014 89.690 43.120 150.838-160.537 95.917 120.532 103.566 -73.900 92.527 0.000 128.869 -76.290 # 134 total E -1.00830E+02 rmsd from N 0.000 %NC 0.00 127.830-104.908 138.883 -16.605 100.465 -33.099 133.098 -75.911 95.704 -60.061 136.903-118.158 93.675 134.347 129.439 -75.827 114.013 178.142 158.128-166.318 117.865 10.892 104.496-137.580 93.820 51.092 82.435-104.506 96.424-155.868 140.001 -96.508 108.938 -29.271 129.925 145.910 90.806 -53.408 148.472 3.704 96.796-132.886 147.580 167.477 100.054 -44.943 122.443-143.235 93.140-133.497 147.152 -18.456 93.802 53.219 155.284 -13.488 91.480 53.040 140.273-143.406 93.215 48.757 144.501 -76.574 95.279-104.287 132.987 -78.586 93.653 -40.465 109.262 -47.774 89.351 -61.187 139.479 170.936 90.599 -51.095 106.530 -84.455 89.091-145.310 0.000 0.000 147.637-175.842 161.025 20.032 93.684 -76.758 128.927 -82.778 95.030 96.986 119.148-157.997 146.608 138.631 126.033 -84.134 139.855 169.924 176.282-176.398 99.433 -56.054 129.135-114.072 96.697 80.829 149.787 -15.561 114.449-111.897 159.215 -8.977 115.274-125.189 88.580 -74.684 117.868 -27.675 122.512 -77.486 93.988 79.745 127.128-167.460 94.353 -15.321 112.154 -75.847 120.932 5.545 145.268 -82.154 126.770-103.108 150.130 -50.167 119.918-160.180 149.004 -8.995 99.779 -15.563 140.774-113.385 100.659 -67.542 128.398 -76.509 120.509 -98.694 148.096-137.068 92.527 54.500 129.433 -75.853 93.269 40.707 140.492-108.787 92.835 49.426 126.532 -20.357 92.251 41.479 133.882 -85.702 99.369-109.062 158.342 -47.059 121.235 -6.578 111.267 -79.965 92.472 0.000 129.321 -76.231 # 135 total E -1.00213E+02 rmsd from N 0.000 %NC 0.00 122.901-117.906 151.656 -94.647 132.862-128.936 137.485 -25.406 113.793-112.472 140.481-113.032 92.666 117.840 130.519 -76.769 134.545-106.571 59.894 -72.453 95.387 66.197 130.393 -4.833 97.307 12.478 128.226 -43.453 103.296 -23.243 175.985 174.502 148.946-160.504 175.679-177.826 94.951 41.598 112.233-136.313 97.334-143.554 133.122-117.364 93.927 64.993 128.104-152.654 95.936 64.367 99.046 -80.013 116.509-173.784 162.226 -19.577 96.569 56.100 151.550 -24.288 96.391 111.825 126.132-107.565 119.856 -6.911 136.318 -38.900 91.174 62.390 160.725-133.972 90.901 30.061 108.656-139.452 100.233-116.879 143.317 -34.973 98.113 132.669 0.000 0.000 91.761 55.816 111.014 -75.511 89.648 48.123 141.591 -72.021 89.217 47.390 120.613-124.608 89.925 52.892 110.156 -76.967 91.731-124.173 142.618 -96.901 97.746 103.323 141.374-137.282 121.560-111.280 117.326 -83.910 116.241 -51.521 158.379 -12.797 96.978 95.151 100.019 -84.063 95.955 116.949 111.478 -74.738 144.123-174.504 115.116 -28.069 108.144 143.610 114.674 -79.325 97.248 60.389 130.359 -76.691 93.607 26.789 148.067 -18.922 92.791-126.143 108.330 -53.053 114.013-164.490 159.910 3.850 96.319 -48.527 129.514 -77.567 113.198-126.692 145.805-163.842 92.744 50.782 158.554 -76.788 91.105 49.668 141.442-108.285 91.418 48.082 127.768 -33.896 93.862-116.336 147.663 -97.918 100.499 -21.573 100.406 -87.511 114.815 142.813 155.921-144.682 92.650 0.000 129.355 -76.333 # 136 total E -1.00027E+02 rmsd from N 0.000 %NC 0.00 93.190-120.615 119.374 -49.480 108.752 -24.118 151.855 18.284 97.836 -52.389 142.721 2.348 97.835 -16.039 130.232 -77.811 113.334-121.981 160.674-154.004 89.935 62.248 97.274 143.546 86.771 57.249 103.617 -57.053 90.020 51.373 127.061 -82.774 86.721 45.418 139.402 124.414 89.759 51.889 77.615-107.637 92.351 -70.199 137.082 -91.100 131.436 -60.971 105.231 -95.251 115.542 -70.820 106.849 -80.771 134.046-147.552 173.963 1.953 138.170-104.809 159.211 -4.046 97.060 50.088 139.286-107.683 99.050-174.334 140.712 -79.396 142.200 33.814 140.296 146.448 113.291 9.014 107.508 130.980 94.862 54.155 143.959-169.283 95.088 31.467 0.000 0.000 95.990 57.339 137.665 -2.282 90.545 -43.984 144.172 -93.401 130.571 175.685 108.084 136.830 116.659 2.628 119.290 -79.315 94.509 -61.904 145.689 -37.273 94.179 -13.250 136.697-121.694 112.605 126.256 149.176 -16.244 109.617 106.161 121.142 -82.400 116.254-115.976 120.609-128.825 99.284 48.267 112.580 -75.615 93.715 41.811 150.329-106.428 95.594 76.510 121.518 -78.982 92.490 -77.807 128.457 -76.952 101.423-146.805 145.937 -20.629 140.746 -86.977 160.774-175.394 121.578 -92.614 125.125 -92.878 92.612 49.472 128.439 -76.050 98.098 162.399 106.391 -42.167 91.474 74.512 132.069 -77.563 92.245 19.846 138.089 -80.744 101.331-130.969 124.091 25.122 115.195 177.823 161.102-179.752 110.557 7.046 144.461-134.657 97.683 50.062 141.677-116.576 92.471 0.000 129.265 -76.570 # 137 total E -9.99733E+01 rmsd from N 0.000 %NC 0.00 123.074 142.765 142.062 -36.393 118.034 103.890 127.536 47.236 92.667 -43.687 102.881 -77.928 91.877 -48.634 127.308 -74.759 94.330 -30.318 149.406-165.512 99.027 -42.608 50.153 -83.502 93.206 -58.014 115.068 -46.662 93.319 82.454 148.205 -86.965 124.535 91.608 154.423 109.871 82.459 -62.189 83.751 -57.020 104.520 179.766 158.932 -14.601 91.461 64.397 106.004-112.894 94.899 29.049 133.406-124.943 95.619 62.622 147.986 -29.715 93.021 32.927 129.637-128.150 98.757-149.224 155.925-143.986 96.320 32.925 154.765-157.589 96.352 127.331 125.833 -62.851 128.528 128.067 121.950 -70.070 106.242 -3.346 108.078 -80.080 93.885 86.270 0.000 0.000 92.497 57.234 99.930 -85.041 91.110 41.105 136.421 -66.684 98.427-125.206 110.669-109.904 100.956 -93.625 142.277 -69.402 138.914 138.838 160.122-179.707 122.824 11.846 133.633-176.602 96.441 -54.143 144.453-129.359 95.547 -59.909 155.904 -18.873 97.258 -36.126 105.572 -98.702 99.394 -89.439 112.995 -77.176 93.675 55.436 133.228 -96.644 99.630 -94.230 112.429 -71.764 92.944-146.154 128.309 -75.226 89.063 83.774 111.464 -80.987 88.960 157.594 135.899-105.368 121.556-115.222 130.589-147.574 100.222 -36.110 129.223 -76.537 93.428 106.834 126.535-127.438 93.364 47.259 129.149 -76.010 91.858 45.959 143.653 -72.791 91.494 49.822 133.409 -68.061 92.704-114.209 126.820-120.844 96.910 112.663 139.804-145.832 113.897 66.345 144.782-122.560 122.095 0.000 146.291 -90.448 # 138 total E -9.97561E+01 rmsd from N 0.000 %NC 0.00 92.578 135.963 126.812 -54.939 94.538 54.088 141.484 22.151 95.408 40.120 146.044-135.359 95.166 106.038 127.992 -75.241 132.324-175.664 134.528 -14.340 121.071 156.061 128.918 70.267 86.841 -68.445 88.063 -67.999 96.042 33.539 131.172 -63.950 124.067 83.478 165.831 -10.985 120.216 20.353 141.788-144.591 119.643 92.408 140.561-133.102 126.271 -67.576 116.470-119.780 95.310 154.847 102.427 -83.236 135.780 -59.878 175.898 4.346 106.035 37.990 147.367-133.250 95.031 -90.751 139.850 -82.899 92.787 22.329 139.997 -81.156 112.655 -11.200 131.530 55.872 145.918 91.292 146.663 106.120 114.020 14.920 155.345-164.212 127.103 0.667 0.000 0.000 145.889-150.159 176.433 130.233 108.020-101.317 123.016-100.828 94.439 -33.906 105.657 171.379 99.443 -49.722 112.799 -70.795 96.766 -3.071 148.561 -41.846 114.905 -64.488 136.814 133.344 96.610 23.379 143.944-141.649 119.834 -70.042 161.734-149.801 120.542-134.170 118.869-124.970 110.283-147.718 109.929 -77.539 95.043 40.187 125.132-179.715 100.568 66.887 113.447 -75.483 134.683 -50.682 140.273 -66.305 93.781 62.982 114.281 -83.862 91.188 43.581 143.601-126.923 91.475 49.697 111.565-112.120 93.301 -89.363 128.210 -76.581 118.392-156.144 148.966-158.969 121.087-154.182 156.728 -88.975 97.102 -29.529 142.783-141.124 100.069 -92.801 134.874 17.736 91.827 69.034 154.319-128.602 95.522 54.116 137.220 155.991 90.584 74.614 140.618-122.630 92.561 0.000 128.852 -76.878 # 139 total E -9.93652E+01 rmsd from N 0.000 %NC 0.00 92.548 3.572 126.724 -67.904 140.124-150.361 133.855 -53.647 99.956 110.068 142.760 -17.975 96.334-108.805 129.423 -76.362 110.955 95.872 105.180 -84.156 137.858 -42.104 104.038 -92.738 92.659 51.844 104.955 -89.558 93.649 38.114 130.405 -96.052 102.504 -79.665 126.587 -95.246 117.596-162.251 92.934 -80.928 118.114-176.740 150.084-176.720 107.240 -83.806 96.304-112.537 93.542 62.565 105.715 -83.833 91.657 46.601 134.372 -89.242 89.399 53.530 136.087-140.461 89.141 53.678 152.507-110.291 89.977 42.286 121.970 -88.947 94.454-169.505 123.289 -75.851 137.320 173.241 118.814 65.947 113.484-116.657 144.756 -43.920 120.759 -83.367 0.000 0.000 132.973 -60.908 113.877 -81.509 97.433 44.213 142.437 -81.666 94.467 37.340 125.313-128.671 95.216 86.528 118.456 -77.629 89.098 -79.264 139.174-126.287 96.747 -48.216 139.543-135.793 96.786 -12.234 110.384 -84.986 108.726 -59.219 162.084 -13.197 95.619 -33.540 105.809-101.508 102.117 170.289 113.471 -78.885 127.295 135.997 133.568 128.921 129.084 -87.241 120.171 -78.777 93.000 49.591 128.441 -75.694 96.402 46.878 104.975 -85.317 104.547 3.039 146.264 -82.129 103.994 56.600 153.559 139.053 91.541 27.689 128.545 -76.391 97.376-135.158 120.661-119.536 95.607-160.242 131.835 -76.428 98.568 -63.185 130.391 -94.947 91.711 79.661 131.740 -39.997 103.800-163.519 113.540 -75.250 95.759 23.591 150.183 5.006 112.494-122.583 146.933 -15.040 93.093 0.000 129.344 -76.636 # 140 total E -9.90538E+01 rmsd from N 0.000 %NC 0.00 124.195-117.908 147.239 -46.315 136.439 179.797 117.912 -26.367 116.693 131.641 150.984 4.252 98.534 -99.670 129.051 -76.428 121.983 -35.529 157.822 173.134 95.391 76.792 146.092 -3.474 94.155 -2.576 84.971 -99.264 105.760 158.529 133.377 -90.083 153.257-176.484 168.185 163.591 94.672 78.347 87.395 -90.618 94.486 81.505 147.828 -88.433 128.850 -83.563 114.545-112.016 115.991 1.058 144.001-125.894 98.854 -59.671 143.284-137.483 96.516 -21.402 108.586 -86.560 101.432-155.028 150.879-167.265 103.108 -56.268 97.987-151.499 95.382-126.418 131.267-103.562 95.571 36.858 101.454 167.145 95.856 49.077 143.920-142.138 108.799 10.369 0.000 0.000 97.568 56.395 134.290-107.522 115.767-161.928 163.096-148.107 100.050 -28.637 114.552-164.938 91.953 -55.805 111.157 -71.410 90.011 -51.769 139.997 -50.912 93.193 -40.031 136.620-163.729 94.844 -38.891 143.515-127.898 99.364 -13.005 154.786 -12.706 132.657-130.299 109.002-100.181 100.335 22.879 109.394 -80.341 100.695 -86.266 94.424 -69.476 93.999-107.190 130.987 -8.118 118.996 -98.485 133.719 -75.926 92.102 56.422 131.103-134.725 92.370 -97.716 107.143 -60.276 91.913-113.213 144.415 -23.725 93.311 38.976 129.235 -77.192 96.776 65.178 117.867 -89.415 122.961 -8.555 135.572 -82.000 95.267 50.371 134.446 -94.994 93.652 42.467 122.203 35.625 93.020-123.442 115.573-127.812 96.639 -27.431 151.449 -31.749 108.017-151.725 107.215 -78.085 127.236 0.000 146.351 -91.414 # 141 total E -9.89701E+01 rmsd from N 0.000 %NC 0.00 93.385-117.798 129.552 -78.287 99.179-132.588 122.641 -45.759 97.743 66.646 158.159-156.491 91.212 167.060 149.331 -95.436 115.500 -23.518 132.812-131.461 103.235 -44.603 78.548 -83.644 95.501-160.342 99.673 -37.526 141.766-112.321 127.737 -72.195 95.283 -76.030 121.585 -63.643 105.290-161.930 128.703-110.464 117.302 -74.875 176.470 -7.984 105.014 33.822 138.399-157.831 96.202 99.195 110.424 -82.808 93.786-142.837 132.336-109.789 120.266 164.655 155.371 -4.583 115.183-114.687 140.651-147.119 101.560 108.993 144.103 -86.193 129.293 -14.537 140.939 -90.274 112.583 -14.549 127.265-101.393 96.290 -57.879 106.661 -80.572 92.426 31.068 0.000 0.000 133.902 -97.577 176.396 154.289 97.018-155.516 134.929 -95.515 106.610 -54.449 130.603 131.981 99.811-124.745 126.882 66.700 93.304 43.802 158.132 177.575 92.312 50.748 140.374-124.450 91.289 40.929 141.019-121.487 97.023-135.142 144.427 -44.722 95.020 100.238 97.861-106.743 136.605-122.443 120.794 -82.114 112.536 118.465 129.434 37.065 102.236-170.164 110.783 -74.151 134.662 109.914 160.689 -85.001 89.923-136.863 102.421 -80.246 150.472-108.345 176.273 178.828 134.858 166.181 172.444-175.334 126.518-109.654 124.965 -94.790 105.599 -96.654 125.760 132.096 92.794 59.869 130.852 -77.437 92.774 43.086 140.496-104.986 92.585 63.128 126.500 -21.600 92.811-102.839 137.386 -58.499 115.851 37.379 108.102 -85.245 131.618 123.221 108.402 -80.463 126.233 0.000 148.483 -93.589 # 142 total E -9.88310E+01 rmsd from N 0.000 %NC 0.00 123.057-100.788 150.373 -71.264 94.885 -49.982 119.843 -74.654 91.587 -46.803 104.093 -78.494 91.135 -45.078 128.352 -75.716 92.053 -45.543 148.927-148.946 95.430 -40.617 71.752 -90.899 97.721-133.781 100.010 -37.834 95.904 57.700 142.472 -82.227 93.841 116.078 149.201 137.277 90.325 -44.647 60.668 -89.836 94.117 -53.578 141.891-113.551 100.407 -31.545 129.058-148.202 96.398 -60.331 141.098-174.498 125.723 -62.205 170.999 -4.427 94.593 54.068 145.361-140.846 92.631 41.674 119.656-104.458 89.930 64.326 110.600 -17.952 89.964 49.088 128.370 -72.746 91.148 38.294 132.260 98.322 93.972 44.196 111.062 -80.628 91.749 47.373 0.000 0.000 87.808 52.268 142.903-157.438 91.614 36.538 103.480-101.544 95.824 -93.126 106.405 -65.160 134.057 168.561 123.867 -79.244 122.448 -67.235 165.028-159.492 92.653 61.338 127.539 26.681 92.131 26.667 139.808-122.074 104.365 -74.125 145.637-113.874 132.913 53.480 111.069-106.822 137.620-167.705 121.945 -81.275 124.495-159.523 129.253 59.877 134.191 -96.922 114.958 -80.063 92.850 4.417 128.690 -76.037 104.131 -66.050 147.805-171.870 152.199-149.256 176.490-177.450 91.995 8.457 123.682 -93.962 99.882 -98.392 127.756 -75.538 95.438 73.351 132.096 -48.034 140.777 89.071 143.993 -84.693 133.622 -51.241 139.952 87.574 91.984 63.470 128.064 -30.615 92.004 52.492 138.737 -48.255 91.115 45.060 108.338 -86.870 94.539 80.422 105.978 -82.312 92.556 0.000 128.758 -76.771 # 143 total E -9.86179E+01 rmsd from N 0.000 %NC 0.00 125.380-120.738 144.986 -37.851 100.461 127.116 136.174 -87.150 126.682 175.866 152.619 -8.036 93.516 62.045 127.741 -75.131 111.559 -25.649 152.497 -5.931 144.837-114.741 107.927 -70.754 90.222 -52.930 111.112 -54.659 113.261-116.892 132.830 -72.378 103.401 25.844 141.227 -26.788 94.661 -94.847 90.810 -88.778 91.736 22.198 123.582 176.889 115.553 53.307 119.507-130.457 135.865-169.555 141.572 6.986 138.581-129.522 172.156 2.202 120.921 -65.556 112.387 -83.473 127.317 117.832 151.536 155.146 97.384-135.516 130.569-108.363 93.767 48.218 128.966 72.864 92.126 43.222 147.135-170.707 91.308 53.031 148.093 5.233 91.042 72.881 0.000 0.000 85.982 102.274 97.969 -80.727 97.142 -69.209 123.252 -80.280 94.370 57.011 99.193 -82.523 149.943 174.154 122.696 -85.385 128.340 79.665 166.099 3.353 130.922 -65.878 149.607-168.908 128.572 96.213 165.212-168.458 96.711 85.595 118.828 -81.085 92.758 60.990 102.397-112.874 91.353 33.191 114.162 -78.664 95.351 53.206 134.236-111.212 95.852 -13.991 112.125 -74.452 123.943-136.701 138.752 -79.458 91.439 69.165 136.454-137.840 130.412 173.409 110.099 -58.376 93.011 50.681 146.207 -21.403 91.855 52.537 128.542 -76.072 89.088 109.527 147.252 168.141 91.995 114.785 128.895 -76.829 93.531 33.071 142.117-137.461 101.284-142.393 119.390 0.675 136.013 -98.383 176.426-164.341 95.693 -16.279 129.629-125.703 111.113 131.793 150.327-133.928 123.460 0.000 149.408 -85.451 # 144 total E -9.85428E+01 rmsd from N 0.000 %NC 0.00 122.952 138.629 156.540 120.901 93.540 51.420 117.199 -35.447 94.925 43.765 104.371 -78.299 91.874 47.314 132.066 -77.938 91.467 54.387 104.050 -87.546 94.289 -76.845 84.395 -71.077 117.739 162.663 118.306 -5.305 129.194-138.323 157.458 -32.067 102.705 -7.744 135.539-105.933 103.921 -60.570 78.946 -77.461 110.452 6.928 156.343 -23.502 106.988 125.048 90.666 -72.181 127.222 -11.286 156.036 -25.523 94.704 58.881 139.395 -96.522 93.777 26.415 134.517-132.926 100.306-136.288 112.171-130.966 103.414 128.909 145.766 94.409 126.208 55.547 140.928 -85.769 127.675 -23.867 114.477-108.962 122.596 -97.501 103.069 -80.362 92.585 50.527 0.000 0.000 94.814-126.196 130.057 -18.121 121.703-110.211 163.876-172.076 128.956 47.243 131.946 122.180 127.632 70.861 122.265 -82.970 122.727 22.695 140.757 -89.815 114.599 -23.592 141.872 135.158 97.448 -60.106 113.540 -88.426 94.775 69.363 145.569-113.859 128.183 60.516 119.289-120.579 123.871-123.405 122.601 -81.089 131.061 -61.866 137.850 102.081 100.719 38.464 108.012 -74.557 97.783-118.438 128.755 -76.502 91.260 61.197 132.158 170.457 94.636-169.859 118.076 -89.566 143.479 -33.590 163.675-153.046 92.280 58.744 140.422-102.235 94.499 88.073 92.685-114.504 92.185 -72.643 127.209 -75.654 93.256 -41.491 143.804-125.004 92.075 -46.140 134.585 -27.784 92.802 -53.182 150.696-170.622 90.753 -40.336 124.594-160.864 96.499 121.743 144.730-125.011 92.544 0.000 128.708 -76.120 # 145 total E -9.84782E+01 rmsd from N 0.000 %NC 0.00 93.211 -55.367 135.013-111.191 96.386 49.419 138.463-105.238 116.524 -77.331 108.736 -79.847 120.682 169.805 139.079 -81.683 141.969-126.187 167.850 143.847 103.945 -19.924 98.555 -78.955 95.430 -54.315 110.983 -58.908 95.856 -28.850 118.586 -56.934 101.214-177.132 106.783 -31.879 93.022 27.556 149.180 28.280 122.166 -49.350 152.719-154.830 104.367 -56.289 91.174 -99.548 96.037-157.865 151.959-159.922 91.956 58.687 140.869-109.479 92.281 47.087 135.669-149.271 92.444 46.549 147.619-104.018 97.376 -91.845 125.958 -91.641 119.795 60.106 134.777 -52.745 135.819 168.651 84.888-126.640 112.122 39.084 151.171 6.948 89.451 54.814 0.000 0.000 102.750-132.201 81.768 -71.033 101.257 -53.766 153.902 -31.908 94.012 146.751 137.664-127.157 86.751 71.765 118.475 -75.203 91.311 19.979 125.555 -99.679 100.755-101.443 141.193-159.250 112.358 118.095 153.712-147.371 128.494-168.013 157.467 -13.885 133.034-103.529 109.149-102.265 119.269 27.673 121.035 -80.140 94.016 44.193 138.273-174.495 96.157 49.638 113.201 -75.235 95.810 -44.108 128.351 -76.306 132.550-120.522 102.121 -82.055 97.509 -10.874 143.086 -17.810 115.622-172.517 156.752 -6.868 123.333 -18.746 126.932 -88.332 94.603 76.553 94.074 -96.264 96.782 101.100 152.870 -84.658 90.997 43.462 98.470 89.984 94.348-146.864 136.948 -77.882 129.488 100.022 161.810 -1.007 94.297 50.064 140.871-152.809 99.312 21.710 98.582 -79.767 116.168 0.000 146.815 -75.909 # 146 total E -9.84687E+01 rmsd from N 0.000 %NC 0.00 126.555-109.237 141.950 -25.629 95.079 -29.435 123.221 -66.824 104.165-106.516 145.771-135.211 92.255 127.511 130.166 -76.815 106.908 -30.416 84.197 -87.154 92.048 -69.279 123.331 -70.410 94.847 21.173 113.072 -85.332 126.593 -58.309 126.049 -88.165 89.503 -50.695 129.828 -83.919 102.352 94.115 131.917-143.058 139.309 123.319 138.745-169.170 123.987 -83.333 108.875-110.265 89.644 -42.706 142.800 -22.306 105.749-126.676 153.674 -10.047 120.828-156.215 116.441 -90.421 110.708 47.953 141.318 161.626 95.026 86.220 140.709 -84.379 94.043 11.870 143.322 -74.328 102.184 -95.761 172.191 172.016 94.845 -12.285 143.822 -36.091 99.344-171.470 0.000 0.000 95.001 53.402 126.627-102.230 119.373 -5.640 136.627-102.646 94.788 55.672 126.392-122.802 94.858 18.599 118.457 -80.403 107.238 160.208 137.268 -98.084 116.746 27.981 116.303 114.555 95.786 47.439 115.332 -87.837 113.355 111.380 108.917 -73.462 94.524 -48.637 97.064 -91.716 95.049 -47.537 114.439 -74.538 95.321 -5.835 103.120 -81.931 134.874-120.735 118.084 -77.853 91.395 65.464 128.746 -74.988 91.520 92.362 148.533 1.876 78.385 -88.174 101.644 -67.015 90.694 -46.577 147.787 -22.936 91.691 -48.955 127.698 -75.521 91.677 150.687 96.106 -92.750 109.746 101.167 151.385-102.280 94.078 -7.807 137.574-147.601 94.403 -88.166 123.239 4.570 94.061 10.381 149.852 -8.088 104.376 90.856 112.676 -86.863 109.120 155.062 147.996 -21.706 125.738 0.000 147.398 -88.840 # 147 total E -9.84404E+01 rmsd from N 0.000 %NC 0.00 93.176 -66.689 128.782 -77.349 121.693-121.002 129.548 -63.872 92.776 46.733 108.763 -74.576 93.847 42.866 127.164 -74.433 98.153 47.689 137.826 -10.859 127.311 -16.708 83.752 -97.521 95.143 60.924 105.124 -74.915 94.914 -3.671 129.502 -86.896 115.484-173.953 126.642 -78.821 101.791-130.293 127.834 158.394 91.864 52.986 145.680-137.638 92.964 53.655 97.326-123.927 89.618 48.237 102.816 -85.508 91.798 57.130 129.535 -84.729 94.799 -95.511 131.042-119.911 123.460 8.905 151.528-166.757 128.725-108.680 152.914 -72.227 135.789-164.096 151.333 135.919 123.167-106.483 113.944 -56.393 106.382 -60.559 149.005-139.962 122.701-162.193 0.000 0.000 92.613-141.300 100.464 -76.495 121.100 108.324 161.312 156.337 93.492 -26.517 119.103-146.505 93.840 -66.180 111.623 -73.195 95.178-148.887 148.053 -24.443 90.086 51.833 130.165 25.787 92.806 41.527 139.350-125.101 94.775 71.453 154.052 179.584 94.975-114.824 92.804-128.310 136.701-115.491 156.996-128.944 128.317-120.613 137.247 -67.099 96.174 100.420 129.564 -42.953 94.561 -80.479 127.601 -75.672 93.565 176.726 104.464 -80.335 122.652-101.759 149.685 -22.374 90.381 60.189 136.315 -40.987 91.304 40.614 129.455 -77.043 91.004 68.408 115.101-113.636 91.675-114.969 127.855 -76.397 96.126 117.560 140.201-112.798 94.276 31.861 124.546 -5.720 111.422-148.720 144.485 -74.414 95.452 27.084 106.580 -85.820 112.693-138.742 99.486 -71.286 92.801 0.000 129.808 -75.924 # 148 total E -9.78764E+01 rmsd from N 0.000 %NC 0.00 117.968 -25.534 150.424 -56.208 121.020 -73.420 150.424 -67.335 122.506 15.685 107.284 -81.885 99.037-164.503 129.304 -76.622 123.180 -13.850 149.921 131.359 120.553 160.400 138.431 9.047 90.554 -49.425 115.583 -48.586 93.564 -54.478 127.981 -62.686 96.449 115.113 142.043 -32.261 97.065 104.811 136.234-158.219 141.276 -56.681 142.395-146.348 130.273 -57.658 109.069-103.952 94.025 55.599 134.894-115.776 97.349 35.307 149.302 -22.597 92.510 50.422 147.184-145.857 91.457 39.621 114.061-147.679 96.115-131.305 121.636 -74.904 103.897 102.416 140.589 106.458 125.811-119.973 112.322 -73.572 98.738 23.832 149.011-156.718 112.017 -60.507 0.000 0.000 120.724 -36.600 166.590 156.232 140.564 -69.136 131.698 -94.049 90.591 58.840 118.188-114.507 90.270 48.931 108.562 -75.774 90.602 48.711 127.850 -75.946 90.494 45.382 136.496 -49.576 91.515 42.433 107.589 -85.941 94.152 50.013 152.838 -21.654 95.022 43.225 123.792-144.135 92.245 44.026 113.706 -76.851 91.987 45.336 135.917 -75.430 90.658 46.195 111.417 -74.055 91.833 43.397 127.814 -75.535 90.643 45.063 133.478-126.173 91.371 43.576 115.160-110.874 90.197 49.536 131.923 -95.928 90.675 39.559 128.563 -76.802 91.541 51.741 104.542-100.885 91.999 41.056 128.107 -76.427 94.101-117.906 134.837-126.160 91.451 -53.491 133.078 -31.030 91.721 -52.427 152.087-147.401 91.843 -43.713 148.486 -44.309 96.638 137.358 145.419-123.686 123.234 0.000 144.298 -86.507 # 149 total E -9.77833E+01 rmsd from N 0.000 %NC 0.00 92.599 126.722 130.163 -64.710 93.760 49.269 150.446-154.328 93.091 58.232 106.458 -78.405 91.406 44.090 127.850 -75.078 94.886 124.235 109.337 -79.146 93.172 77.724 73.511 -99.249 93.551 -72.680 95.655 -71.420 108.983 99.948 130.270 -62.815 100.402-147.622 154.639-106.424 113.465 10.881 115.009-173.515 117.390 76.905 153.718 -18.758 139.483 -85.930 104.235 -89.052 94.998-115.376 148.643 -6.231 95.047 44.098 138.894-142.498 95.897 52.011 134.746-152.343 100.916-171.780 131.777 -74.075 110.019-117.752 148.291 -15.266 92.725 -72.870 136.108-116.591 93.185 -74.059 101.368 -42.879 89.698 114.397 146.695 -12.875 92.065 91.138 0.000 0.000 85.087 90.836 106.862 -69.831 91.289 34.141 127.035 -85.797 93.446 66.092 122.660-114.592 93.558 17.332 114.391 -77.606 106.847-109.964 145.168 -98.003 91.062 162.371 138.411-105.302 156.829-118.155 117.633 -89.848 108.990 94.291 143.449 -33.689 130.714 80.071 112.293-107.683 146.271 -43.605 127.174 -85.315 102.541 -54.291 128.757-133.355 115.887 11.220 115.870 -77.295 94.600 -67.449 127.322 -75.405 91.300-170.745 141.093-129.678 93.023 45.754 164.664-168.667 92.635 41.378 117.737-101.229 96.279 31.588 128.818 -77.278 102.784 -12.000 119.383 -68.551 138.754-168.846 135.563 -88.149 94.371 46.871 143.115-158.285 94.608 55.379 127.541 -37.577 106.495-176.414 143.577 -31.926 96.778 44.475 109.204 -83.306 111.993-143.161 112.339 -78.170 127.186 0.000 146.650 -90.526 # 150 total E -9.75155E+01 rmsd from N 0.000 %NC 0.00 92.641 -14.438 130.950 -86.282 125.007-171.175 142.503 -41.532 94.821 60.063 144.355-135.407 93.222 33.146 127.722 -74.858 105.374-126.844 164.552 11.685 150.166 -42.092 101.638 -81.068 95.187 72.882 107.483 -60.048 87.720 114.007 147.157 -94.790 89.713 74.562 129.623-158.640 90.769 61.238 82.343-104.201 94.220 -65.987 148.197-105.997 119.451 -60.159 117.696-122.421 101.085-161.554 141.368 0.402 131.862-108.616 156.062-147.423 130.838 -30.291 108.553 -94.920 126.027 -72.898 148.810 179.517 124.461 104.519 150.439-169.727 136.141 29.365 137.385-117.470 115.818 -10.751 112.564-130.523 92.745 -61.273 98.846 -79.118 87.215 -39.536 0.000 0.000 102.545 -55.465 157.027 143.773 139.934-132.724 122.103-100.309 91.430 24.327 139.627 123.281 115.785-141.632 110.542 -75.158 95.204 59.273 142.441 -33.657 94.429 101.773 136.660-129.678 95.065 -85.551 110.811 -90.371 97.425 86.633 142.401 -80.104 119.093 26.213 123.947-133.795 93.728 43.378 135.315-158.466 95.139 57.658 138.807-110.997 95.532 -75.858 115.145 -73.365 125.015 -78.311 126.448 -83.842 109.190 40.102 146.083 -8.962 89.796 -77.744 110.877 -53.503 88.305 -40.629 141.549 -49.158 92.786 -63.200 128.860 -76.036 88.328 50.773 116.661-110.904 130.065-100.603 124.260 -85.480 120.982 36.763 131.787 178.773 94.521 -66.320 150.381 169.738 93.641 -27.842 155.406 -27.000 98.239 124.483 149.370-178.872 97.331 109.551 103.418 -82.527 123.578 0.000 145.023 -91.135 # 151 total E -9.73549E+01 rmsd from N 0.000 %NC 0.00 92.733 110.448 137.466-101.574 135.303-176.993 132.900 -22.120 109.747 136.214 141.224 -9.916 116.105 54.788 145.293 -83.333 134.252 24.640 78.252 -78.705 115.791 8.355 159.741 2.500 95.120 100.494 81.373-107.370 132.655 168.932 125.995 -77.146 95.623 88.411 152.191 -25.915 101.481-168.514 114.463-131.617 143.254-139.064 153.882-173.397 98.863 -57.018 94.634-101.504 93.527 127.437 136.565-133.837 105.754 -66.552 153.287 -40.368 111.636-109.549 149.093-140.711 95.599 46.916 148.007 28.495 98.565 173.564 129.087-103.522 96.140 40.660 132.325 -60.106 95.237 58.647 125.354 149.982 92.808 21.946 144.254-153.379 104.312-110.547 0.000 0.000 119.205 -89.148 172.029 155.388 127.765-116.613 136.592 -98.057 94.262 -79.905 96.264 -67.101 110.692-153.069 145.803 -12.119 126.834 -98.191 154.071-118.585 94.737 64.816 139.191-124.814 95.728 -99.142 101.812 -81.254 95.362-122.959 153.088 -25.631 106.311-146.201 100.264-101.314 105.291 121.497 110.747 -79.152 131.904 -12.088 126.752-123.319 97.612 -37.067 111.643 -78.194 99.559 -30.654 127.700 -75.939 98.879 -29.928 143.636 -17.468 101.175 -28.831 141.788 -79.329 99.442 -40.551 125.950 -78.065 94.612 -33.616 130.432 -77.024 100.505 -1.133 121.309 -70.779 134.895-107.603 145.136 -79.700 95.027 49.572 134.790-111.933 96.157 116.164 131.165 -50.294 92.515 -61.791 133.639 -81.719 95.090 -69.660 134.297-132.269 95.585 162.822 145.868-126.658 92.632 0.000 128.955 -75.881 # 152 total E -9.71492E+01 rmsd from N 0.000 %NC 0.00 92.791 -48.342 118.894 -52.736 127.745 -95.279 143.272 -55.013 98.293 28.637 102.380 -82.144 93.913 56.361 155.527 -87.962 90.986 51.090 145.306-177.803 90.588 40.583 78.186-109.034 92.159-113.779 87.924 -47.486 108.124 -12.640 162.791 118.884 149.809 167.568 174.721 175.686 109.165-124.258 76.008 -78.095 98.447 -76.882 153.432 169.090 116.577 0.412 128.900-141.705 96.082-171.032 151.553 -21.506 93.578 67.730 125.686-171.897 94.406 52.784 151.592 -34.247 94.263-100.361 156.405-117.855 98.897 -22.443 132.073 -75.174 102.353 168.469 143.966 30.324 116.959-145.948 93.331-151.180 129.324 153.136 152.893 7.690 129.292 39.340 0.000 0.000 110.487 -34.329 110.300 -89.393 92.743 -68.160 127.945 -74.774 88.545 79.608 111.497 -25.058 136.876 -9.765 139.896-124.017 136.331 -63.792 158.053-175.590 122.219 -23.072 136.226-167.278 94.076 -55.477 143.615-131.433 95.175-121.332 153.749 -18.133 102.273 -7.125 102.795-108.348 100.515 -61.996 112.592 -79.197 92.632 -22.684 133.565-102.526 102.584-132.954 135.514 -17.412 96.980-108.588 128.738 -76.372 91.451 32.867 144.323 -32.937 100.706-178.649 106.660 -43.579 95.049 -2.724 154.295 -28.632 132.804-160.706 147.087 -85.266 124.512 -86.385 152.640 -98.660 94.237 110.499 129.724 -76.379 100.072 -53.892 137.715 -98.117 94.285 86.031 147.929-112.539 90.887 58.701 164.314 179.659 89.100 44.930 148.363 -57.934 96.393 68.517 99.942 -78.033 92.410 0.000 129.326 -76.071 # 153 total E -9.71205E+01 rmsd from N 0.000 %NC 0.00 122.210 -92.893 153.289 -99.929 127.821-110.163 134.365 -54.105 96.998 22.487 108.255 -79.550 97.393-156.330 129.154 -75.915 115.780-140.540 133.949-118.437 94.550 93.520 110.617-170.278 138.136 -21.279 130.874 -82.241 137.755 39.604 132.109 -78.953 95.764 -54.722 156.827 -39.629 100.883 -29.712 82.586 -71.324 96.940 179.005 149.345 -32.671 129.978-120.866 113.881-111.498 100.256-138.119 103.394 -83.360 95.858 37.597 149.884 109.558 95.441 50.870 153.029 -35.661 95.464 24.888 158.076 172.299 101.857-118.424 126.888 -60.457 111.491 111.071 129.695 64.673 136.969 34.643 145.686-153.230 135.416 -18.594 170.862 172.620 95.946 49.719 0.000 0.000 88.231 74.818 113.481 -90.273 95.145 114.897 118.643 -93.737 90.922 111.778 125.132-146.211 98.774 -22.452 111.787 -75.290 93.386 -67.313 132.796 -48.418 92.092 -33.389 116.508 34.430 96.688 -66.269 143.151 -45.935 91.475 92.711 146.412 -28.410 131.343-140.304 110.585-106.151 95.031 57.082 131.322-150.907 93.374-104.253 96.542 -55.445 95.124 -84.094 131.940 -2.034 92.778-121.397 128.661 -75.501 90.115 46.745 102.320 -81.719 91.826 49.146 108.600 -59.262 90.678 57.046 149.975 -27.075 88.395 52.287 128.284 -76.514 90.153 105.589 91.386 -71.050 88.910 -68.903 129.909 -77.431 92.331 -50.941 143.128-128.238 89.682 -47.346 129.632 -27.941 91.069 -50.475 146.928 -36.259 91.685 -50.364 110.318 -82.549 94.750 116.385 143.911-122.042 123.050 0.000 144.621 -88.749 # 154 total E -9.69553E+01 rmsd from N 0.000 %NC 0.00 126.699-121.296 141.512 -26.031 107.550 -28.526 147.193 -35.232 96.582 -57.031 139.717 -32.606 93.910 88.312 128.420 -75.592 146.879-124.517 111.721 -84.903 122.104 -32.163 98.232 -94.283 96.748 70.646 106.335 -82.922 139.983 -33.320 134.596 -81.988 124.734 -99.422 108.112 -52.891 92.916 -42.739 145.010-155.897 121.888 62.079 161.216-165.459 100.957 48.700 128.299-149.653 94.046 38.031 141.158 -9.308 97.140-134.137 113.257 -42.106 94.717 -55.530 140.272-132.407 116.743 -87.495 156.960 -63.541 113.867 118.582 154.095-147.716 95.061 -32.059 136.111 -86.504 93.794 -57.401 104.786 -80.264 92.432 -24.004 158.144-155.043 102.333 -61.461 0.000 0.000 90.733 17.120 125.437-105.332 118.507 -74.307 109.108 -80.814 91.632 -0.326 120.388-111.085 113.038 -71.214 114.757 -78.125 110.774 117.060 150.124-168.164 96.771 56.099 132.716 -87.085 107.366 -35.375 149.063 -37.639 129.771-133.564 176.164-168.724 113.119 115.702 126.699-140.801 92.209 46.940 110.534 -77.956 91.095 54.606 96.846 -38.859 89.259 50.554 111.003 -70.539 90.709 41.058 129.062 -76.614 91.909 45.173 144.553 -29.045 90.578 48.503 134.926 -46.915 93.644-157.475 140.790 -89.300 91.388 -59.718 126.909 -76.538 89.290 128.045 115.636-107.658 145.908-162.513 136.823 -96.800 92.937 52.953 141.651-116.614 94.115 59.567 127.137 -34.370 93.015 -85.634 144.219 -40.035 127.673-113.589 104.658 -76.130 96.935-178.050 148.085 -11.438 125.349 0.000 144.815 -87.103 # 155 total E -9.68398E+01 rmsd from N 0.000 %NC 0.00 122.940-131.990 151.027-106.261 130.405-160.077 146.161 -58.911 119.387 -57.404 110.158 -79.063 111.635-163.102 143.234 -83.324 108.326 118.228 147.143 179.742 111.778 -71.579 99.067 -96.690 96.113 42.788 91.645-108.105 128.780-176.991 133.460 -89.516 96.205 55.821 142.435-159.784 94.934 35.864 92.020 -80.237 97.169 104.184 176.460-161.549 80.484 -70.919 91.083-109.865 91.565 -51.076 123.553 151.271 91.480 -43.722 123.256 148.581 95.833 104.898 157.373 6.756 116.576 178.502 141.642-121.342 98.756 31.902 152.133 168.490 97.585 148.611 139.485-107.509 135.004 -60.711 105.513-111.432 97.339 -31.836 141.720-130.679 97.061 -46.177 0.000 0.000 95.319 -49.677 105.270 -79.123 105.280-132.657 144.436 -82.578 91.515 58.904 112.133-172.772 92.310 43.004 110.136 -72.823 95.915-134.738 153.995 -32.591 133.839 -12.063 135.908-165.578 110.251 -26.552 107.890 -84.281 95.217 -43.947 161.208 -23.400 111.754-153.735 126.159-138.256 99.790 115.783 117.092-145.189 133.765 165.509 131.901-133.860 122.570 141.250 119.552 -77.401 93.266 -57.540 128.171 -76.265 91.917 -54.904 98.630 -80.986 89.511 123.364 118.635 5.118 94.598 62.837 142.838 -32.509 89.963-118.110 128.983 -75.939 90.720 125.892 111.169-165.614 93.786 48.289 129.633 -77.170 90.271 46.475 148.379-139.282 91.485 44.441 129.313 -98.063 91.463 57.207 148.712 -33.496 88.733 40.583 136.027-142.917 95.771 101.798 146.982 -24.182 122.631 0.000 145.305 -89.296 # 156 total E -9.65059E+01 rmsd from N 0.000 %NC 0.00 127.398-143.172 141.146 -30.685 95.638 -1.507 132.250 -83.477 115.016 -83.607 150.442 -14.537 139.080-137.632 140.381 -82.647 124.730 103.849 158.098 138.799 121.101 -59.694 82.238-111.698 95.598 50.690 112.562 -25.694 128.375 72.511 123.006 -61.033 94.071 -60.181 110.886 -62.785 88.777-127.383 133.147 177.956 131.651 64.625 176.484 4.089 117.842 -27.383 111.813-116.365 95.425 -42.877 143.777 -24.416 115.028-101.853 159.629 -14.440 135.099 71.338 150.742 177.615 108.103 17.392 149.908-158.881 94.676 63.435 139.273 -83.910 94.201 -20.917 125.801 -94.875 125.667-177.267 148.246 176.693 99.290 47.484 108.717 -81.556 98.453 108.272 0.000 0.000 121.882 39.796 114.075 -88.319 106.220 -49.616 163.372 -78.912 96.252 -60.215 119.771-119.224 97.683 166.381 115.738 -76.222 149.225 164.918 176.429-175.866 94.293 37.273 138.512-108.555 108.100-114.721 107.357 -83.194 133.093-120.236 175.725-176.794 98.696 54.212 98.489-106.805 137.288 -89.880 152.792 -54.258 115.213 -6.418 140.732 -77.072 94.964 -55.973 129.923 -20.811 99.714 -75.337 129.098 -75.440 84.308 88.077 140.926 -26.360 91.451 35.120 116.516 -58.648 93.092 56.577 142.063 -21.446 95.342 -0.607 128.735 -76.438 109.278 57.204 145.244 176.900 92.683 29.168 128.227 -76.149 97.925-116.941 137.085-150.738 93.803 -44.108 130.563 -26.639 92.299 -56.229 163.292-166.675 91.205 -39.919 151.094 -48.007 97.140 144.813 145.668-125.259 124.360 0.000 144.041 -87.806 # 157 total E -9.58771E+01 rmsd from N 0.000 %NC 0.00 93.266-128.264 128.235 -69.616 113.232-126.326 161.126-148.962 99.118 50.556 146.762 165.152 93.480 113.690 130.307 -76.765 92.268 -42.210 113.438-106.856 91.994 -54.331 81.476 -61.836 91.550 -14.545 163.312 159.374 115.058 -34.966 143.279 -86.972 95.770 -47.099 124.134 -88.283 90.696 112.282 100.674 -87.742 127.277 34.152 175.391 -4.587 95.830 50.340 99.442-105.712 93.814 58.770 132.788-107.825 107.065-141.734 123.637-118.804 106.177 158.653 153.362 -25.546 92.184 -52.619 116.238-121.025 89.476 -51.273 141.464 -87.271 90.065 -47.580 118.890 -23.602 92.352 -43.350 92.291 -66.310 93.199 -41.043 142.851-126.204 98.217 15.694 0.000 0.000 139.638-106.959 172.743 143.941 136.756-116.639 140.792 -90.387 95.287 119.351 113.493-127.730 100.265 -19.523 116.287 -76.875 93.131 -67.938 112.657 -54.837 90.530-174.483 138.809-139.751 89.112 58.309 140.461-126.910 94.067 39.973 139.042 -93.174 100.282 33.093 93.365-109.006 101.644 26.510 115.145 -78.100 101.465 38.021 132.815 -86.981 122.361 161.847 114.347 -79.173 92.120 52.983 129.614 -76.466 94.922 51.876 140.119 -34.926 91.858 47.145 141.143 -39.505 96.823-124.907 119.458 -84.754 93.991 152.408 128.832 -76.322 137.568 45.703 129.668 -51.405 96.439 -45.399 129.051 -76.903 96.580 -35.467 146.584-173.619 94.729 -55.311 131.224 -28.228 94.748 136.414 139.508 152.377 96.834 3.607 106.126 -85.916 110.007 117.471 107.369 -77.849 123.627 0.000 150.224 -86.703 # 158 total E -9.57195E+01 rmsd from N 0.000 %NC 0.00 122.720-102.597 150.619 -72.334 99.873 -25.853 146.649-115.595 101.834-114.221 144.367 -18.744 91.471 51.346 141.748 -57.755 96.106 59.565 147.788 -5.543 98.132 -0.416 59.703 -75.482 105.080-142.699 152.586 147.399 140.372-100.042 164.057-150.712 93.227 -59.586 126.160-122.716 92.880 90.412 115.434 -5.487 109.327-153.423 140.655 -99.274 91.812 45.301 101.316-131.853 109.765 176.953 101.026 -83.095 93.267 65.311 146.416 -43.333 93.313 43.996 138.809-138.510 97.686-126.398 145.529 -98.623 129.568 -94.369 135.884 61.932 109.172 22.651 139.563 -22.208 94.598 60.859 131.456 136.024 95.747 -10.860 147.995 -29.193 115.745 66.598 0.000 0.000 130.807 134.494 139.876 -15.764 97.051 95.947 137.822 -84.784 96.883 33.595 128.596-152.109 97.395 102.016 118.332 -74.621 95.543 -9.754 159.646-149.512 97.741 -79.901 137.064-144.486 91.904 2.885 143.600-133.466 111.526 145.454 110.105 -78.207 97.933-170.186 98.153-106.013 138.507 41.036 126.677 -83.506 94.099 -32.481 127.363-104.490 114.178-111.235 114.510 -72.898 93.250 42.661 129.429 -76.916 96.408 46.715 139.288-140.052 96.337 165.296 136.987 -28.062 97.298-132.759 152.196 138.575 92.051 36.094 129.385 -77.744 92.219 60.809 94.313 -95.036 92.407 30.702 128.039 -76.189 97.953-120.832 143.689-124.770 95.463 173.931 135.435 -72.817 131.547-138.319 161.420-145.396 98.143 -1.421 137.856-140.969 117.668 154.837 148.198 -18.883 92.702 0.000 129.453 -76.226 # 159 total E -9.56809E+01 rmsd from N 0.000 %NC 0.00 122.426 137.543 142.007 -38.579 131.862 133.584 126.264 49.025 99.916 33.162 108.757 -81.395 96.362 -96.934 128.877 -76.169 94.178 124.855 110.756 -86.346 140.267-127.152 176.157 149.246 95.008 43.631 113.888 -71.324 113.092 122.447 135.063 -83.512 144.110 170.699 176.457-168.314 99.407 -20.443 86.528 -89.199 110.514 -72.868 151.542-128.700 111.048 40.228 126.581-140.191 101.893 -91.230 140.838 162.037 104.642-168.528 134.267-176.456 93.142 51.109 133.130-140.070 93.452 45.955 119.039-112.801 99.445-130.984 138.074 -71.021 100.653 153.460 111.736 -54.769 130.626-125.706 156.704 -85.501 117.127-100.956 143.592-145.959 109.019 10.108 0.000 0.000 93.722-152.899 142.376 127.922 139.299 151.064 152.017-149.725 92.010 59.943 111.397-158.734 93.770 33.243 113.234 -78.577 97.519-124.322 158.054-129.307 96.146 78.375 138.386-115.748 143.221-107.721 108.678 -82.340 92.682 -62.267 147.531-105.792 94.787 -56.377 120.084-138.497 89.614 -52.610 108.671 -76.479 90.266 112.650 99.634 -36.802 157.917 -18.419 130.316 -86.180 96.687 50.520 127.383 -77.553 96.687 117.609 135.357-160.923 115.084-157.458 124.352-150.584 117.583 9.538 132.387-176.977 92.144 57.710 128.634 -76.276 93.126 38.086 97.473-102.069 95.808-111.865 129.412 -76.810 97.956 -37.708 132.699-107.563 112.752 176.009 123.340 13.843 112.359 -80.669 138.481 -79.833 110.071 58.055 109.742 -85.539 138.530 -9.405 109.354 -80.648 120.364 0.000 142.632 -85.788 # 160 total E -9.56797E+01 rmsd from N 0.000 %NC 0.00 92.855 -53.526 118.453 -54.122 103.339 -26.945 142.046 -89.224 96.223 -55.501 139.093-113.755 94.739 146.200 129.463 -76.124 119.635-108.401 162.737 179.395 118.954 -38.117 91.095 -91.165 99.531-132.296 101.284 -42.251 124.208 81.881 165.069 127.907 86.462 114.412 109.627 8.572 91.443 -28.393 130.741-143.663 102.212 -68.989 153.946-172.146 109.157 -3.426 120.241-134.840 102.217-150.972 140.593 -21.674 140.661-167.688 173.175 9.156 107.619 -12.806 110.381 -90.359 93.133 -59.016 130.733 -94.248 90.261 -50.484 162.497 -92.439 89.999 -59.108 158.273 23.952 89.320 -35.178 147.863-178.608 96.768 125.947 135.749-132.424 108.028 33.415 0.000 0.000 93.394 94.136 136.523 -15.230 97.593 -60.849 115.045-105.108 92.025 95.952 101.808 91.580 90.703 47.232 111.528 -78.522 103.277-108.187 150.576-100.745 122.848 24.729 115.231-123.332 116.713 -79.711 155.925-146.587 120.692 21.625 151.443 -16.034 107.918-146.803 92.241 -86.310 120.245 26.395 117.421 -77.808 92.756 56.395 125.887-135.526 93.080 39.014 114.952 -78.235 95.474-116.745 128.087 -75.217 94.653 143.380 138.074-140.414 114.509 -83.815 133.508 -77.303 105.880-147.980 122.662 -61.906 95.373 -44.684 154.325 -87.698 93.425 -45.912 121.127-143.980 93.143 -41.874 128.861 -76.258 93.186 -44.278 144.492-170.850 92.011 -57.836 134.219 -21.846 92.058 115.178 144.250 168.878 95.900 35.948 141.631-143.822 96.835 70.988 139.838-106.055 123.292 0.000 144.207 -94.145 # 161 total E -9.50732E+01 rmsd from N 0.000 %NC 0.00 122.412 -49.337 146.741 -33.212 138.237-103.864 128.822 -26.055 96.413 100.965 147.344-140.786 92.259 -79.683 129.345 -76.091 107.136-145.710 107.226 -79.735 124.015 147.175 140.857 165.496 99.372 -23.394 120.012-101.481 112.852 -82.644 122.331 -63.775 93.010 70.786 138.224 -43.189 99.355 176.900 143.694-137.245 142.273-124.097 132.091-171.320 117.215 44.980 122.415-133.815 94.266 139.065 143.391 -35.473 124.224 10.466 148.858-144.758 96.117 -57.210 135.843-154.840 97.755 -14.460 136.733-108.490 110.087 -20.811 154.662 -71.406 133.027-152.915 134.631 85.855 103.832 -32.395 94.678 -84.280 92.666 -48.028 143.566 -36.948 91.972 -58.337 0.000 0.000 91.400 115.722 107.772 -78.742 95.792 52.098 146.929-100.375 90.397 123.523 130.644-165.119 139.562 -32.633 123.207 -85.625 102.410 -32.126 144.995-127.465 98.252 113.914 135.085 -81.654 108.407-168.050 119.273 -81.966 121.964 80.334 150.733 -19.197 131.542-111.812 107.398-100.925 123.423 37.402 123.953 -80.958 117.352 -21.524 120.149 39.504 103.346 -52.285 117.332 -71.456 101.594 -7.878 129.990 -76.953 99.505 -83.081 145.431 -49.772 90.409 49.964 117.473 152.530 112.266 174.195 117.260 -82.982 121.962-142.517 155.969 -91.136 126.466 45.809 138.541-178.812 95.531-149.803 128.560 -76.168 94.760 87.871 140.540-108.578 94.608 -3.333 123.827 -23.235 101.743 -99.542 141.571 -35.230 91.532 24.830 115.552 -78.603 111.109 145.963 155.528-146.781 128.142 0.000 146.459 -95.946 # 162 total E -9.48797E+01 rmsd from N 0.000 %NC 0.00 118.031 125.307 147.899 -45.408 94.303 50.904 135.536 -82.734 94.983 48.724 142.034 -10.830 90.490 82.305 157.874-100.360 94.407 37.064 84.222 -89.899 94.834-159.158 166.160 168.783 109.167 11.715 145.810 179.767 95.442 68.144 139.994 -75.442 95.352 -0.842 153.331-142.467 104.955 151.623 104.866-103.885 137.832 131.474 156.093 174.087 112.879 57.781 116.559-128.203 95.910 56.388 103.782 -86.128 102.952-120.246 136.392 -85.099 109.097-111.795 110.227 -85.854 94.252 49.744 144.912 129.863 93.614 52.056 138.426 -86.902 92.317 36.252 124.924 -40.851 105.765 179.573 119.071 -34.184 111.175 -18.312 145.019 -0.736 136.231 174.440 0.000 0.000 112.561 4.609 104.874 -86.522 95.286 65.074 135.335 -66.004 143.816-114.959 131.603-112.208 105.879-176.505 116.095 -78.058 93.221 53.524 145.147-178.977 92.058 46.111 140.496-115.067 94.185-102.067 142.811-121.525 121.594 96.707 162.028-155.351 139.259-170.825 103.562 -87.705 118.892 117.628 153.017-113.959 135.753-120.075 128.839 175.640 118.944 82.323 130.261 -24.643 93.134 -70.843 126.993 -76.269 86.793-119.556 138.734-158.271 134.960 177.762 172.865 6.966 92.274 -66.068 115.132 -89.278 93.383 4.250 129.704 -76.306 116.221-146.347 140.008 -9.872 101.125 -47.132 139.238 -99.467 93.898 -40.202 141.176-119.554 96.215 -87.345 125.232 -18.053 125.688-154.656 160.742 -4.685 111.988 128.364 107.031 -84.663 145.100 -41.414 120.495 -79.388 124.015 0.000 142.874 -90.807 # 163 total E -9.47953E+01 rmsd from N 0.000 %NC 0.00 93.682-159.093 139.163 -99.282 100.966 -23.687 137.024-103.036 98.128 150.830 142.073 -8.252 127.324-154.398 140.547 -81.126 96.911-177.885 141.611 170.067 140.039-113.666 105.692-107.442 93.209 46.735 109.870 -62.403 103.571-103.229 126.636 -75.638 108.989 138.917 122.939 -78.765 109.653 17.058 151.300-165.038 96.546 62.995 148.173 -50.429 96.891 17.167 102.602-102.435 100.168 97.855 146.803-174.112 105.180 174.029 123.346-145.112 97.961 46.167 157.344 -36.715 96.339 115.174 134.209 -92.542 97.516 -81.230 112.009 -81.386 93.649 71.444 138.831 -99.938 120.949-151.192 110.648 -57.433 98.333 105.436 146.242 -20.252 123.107 142.219 0.000 0.000 97.833 126.620 150.253 171.681 111.497 -17.860 112.469-113.751 91.060 -57.171 122.087-170.221 93.215 -20.837 125.442 82.418 114.078 142.371 158.498 141.393 97.183 175.228 125.803 -41.054 124.654 133.617 158.931-169.280 126.580 -83.107 164.146-159.674 93.484 53.889 98.281-113.211 92.097 45.543 136.050-106.792 91.366 64.410 89.692 27.039 88.920 120.434 112.712 -75.808 92.111 -36.460 127.109 -75.580 94.112 -52.705 98.306 -76.308 96.587 -11.959 148.358 -40.085 103.734 -54.963 130.630 -76.765 93.152 -12.776 130.114 -76.499 104.493 -45.058 121.747 -96.047 136.106-124.192 160.645 -83.010 97.730 -50.689 125.121 -88.465 93.629 115.617 133.072 -47.211 108.867-159.843 145.721-124.319 97.690 51.339 140.828-149.055 97.952 85.703 143.525-122.863 92.400 0.000 129.235 -75.969 # 164 total E -9.45398E+01 rmsd from N 0.000 %NC 0.00 93.399 -89.888 131.240 -88.015 104.424 -26.204 153.244 -13.089 93.251 -63.821 113.063 -77.283 97.474-135.088 130.411 -77.048 147.456 -50.626 167.332 133.588 131.833 51.075 104.808 -82.860 87.669 -66.291 109.044 -89.257 99.884 169.625 146.245 44.498 93.859 13.595 123.485-113.269 105.474 -79.654 93.222 -80.404 123.070 -43.762 143.400-141.486 91.665 94.067 100.808-107.820 92.393 45.174 126.229-115.256 93.366 46.408 133.785 -39.667 95.028 36.687 110.804 -88.446 95.283 46.016 131.513-108.833 95.496 42.735 123.868 -85.436 103.701 -73.183 157.156-147.200 125.432 -86.728 101.351 -94.431 94.337 41.500 112.604 -81.206 113.650 171.715 0.000 0.000 132.648 149.603 138.948 -10.169 103.106 -47.562 141.764 -75.817 100.184 134.672 128.518-177.589 91.604 109.127 117.847 -77.952 94.957 -55.673 129.859-109.803 94.840 89.342 138.096-119.568 108.610-133.180 109.011 -86.944 105.543 148.904 151.348-131.289 96.899 1.557 92.224-102.878 108.550 -92.616 117.898 -75.639 128.195-105.193 123.292 -81.946 93.652 155.145 114.400 -74.258 114.071 -45.670 131.301 -89.469 96.102 -17.387 139.014-136.076 107.357 -33.761 140.916 -34.603 116.750-114.032 159.934 -23.725 94.114 32.770 129.359 -76.951 97.842 115.558 109.519 -93.478 98.404-115.634 131.379 -77.940 92.539 65.628 140.843-112.689 92.232 40.858 127.045 -52.724 100.709-170.705 133.389 -93.894 104.736-173.255 141.223-155.215 121.849-176.320 155.606-155.986 92.868 0.000 129.447 -76.283 # 165 total E -9.41278E+01 rmsd from N 0.000 %NC 0.00 123.499-113.389 148.970 -57.314 121.733 -60.571 155.935-164.571 120.376 9.451 110.934 -81.398 96.903 -67.472 128.566 -76.009 106.629-136.085 153.953-163.899 127.442 8.150 123.591-169.406 123.288 -95.519 127.155 -40.601 92.598 45.851 139.175 -87.379 93.271 53.309 150.950 160.848 91.172 96.806 119.481 -29.264 90.541 -73.962 131.610-111.874 95.586 -41.193 100.442-115.282 96.974 -28.250 139.208 -3.566 106.160 -33.863 160.044 -25.699 97.583 -52.496 113.703 -87.031 95.692 85.781 139.442-115.992 127.722 -97.411 149.176 -33.006 95.123 153.938 100.724 -32.291 95.818 47.047 151.794 165.126 96.661 62.738 135.581-176.826 97.739 -27.778 0.000 0.000 108.820-175.080 146.437 9.530 146.033 85.020 140.714-110.794 103.869 -11.853 138.649-162.923 103.324-160.857 115.592 -78.726 93.813 62.991 141.938 170.249 92.117 32.705 141.252-112.889 96.691-123.487 112.042 -79.740 111.802-156.843 155.676 -9.827 123.753 -10.793 115.572-117.408 133.332-167.798 122.052 -82.703 93.704 120.022 141.120-159.271 94.647 -38.719 110.064 -74.125 92.254 -50.882 126.985 -75.082 92.134 -35.793 107.420 -84.889 91.103 -65.820 111.803 -75.816 88.348-124.526 150.917 -24.647 91.740 46.847 130.039 -77.474 93.287 60.056 119.603-110.347 92.648 118.613 128.296 -75.270 95.452 177.234 136.729 -78.145 93.801 123.948 135.859 -70.258 93.754 -43.473 129.182 -87.963 94.767 -57.713 107.073 -90.063 95.830 100.093 106.692 -78.564 120.847 0.000 145.875 -84.500 # 166 total E -9.40517E+01 rmsd from N 0.000 %NC 0.00 121.199 175.936 149.403 -74.366 101.388 -24.674 139.680-107.307 100.253 177.779 150.420-133.997 96.509 175.475 130.058 -76.791 142.456-143.798 158.304 119.923 126.041-111.818 100.054 -86.434 96.587 53.311 109.184 -64.794 98.672 -6.489 140.387 -81.706 141.815 -97.078 175.895-168.198 103.850 135.565 128.262-121.585 148.531-169.380 159.535-168.075 109.578 -17.640 123.929-139.473 92.625 -57.567 138.022-136.381 91.674 -47.726 157.480-140.380 92.855 -45.717 141.894-137.628 92.867 -39.269 132.208 -98.838 91.931 -51.493 140.603 29.804 92.313 -50.549 142.376 100.121 91.944 -75.030 84.768-126.411 91.863 48.587 147.326 -24.376 108.825 165.794 0.000 0.000 96.995 52.361 112.878 -90.251 90.569 54.993 159.219 121.321 90.028 39.573 102.931-141.663 96.059 -88.187 109.400 -74.422 124.891 146.535 144.792 -11.283 94.385 114.729 127.537 -42.297 121.044 -95.712 161.093 -28.392 93.884 88.580 146.115-112.392 94.855 15.729 96.200-109.961 104.835-120.056 115.131 -78.916 93.183 -23.140 117.896 -42.169 105.939-160.621 117.788 -74.830 101.735 -48.263 127.313 -75.604 90.053 98.742 136.561-132.689 92.248 32.226 120.842 -74.584 103.448-114.523 155.505 -28.800 95.759 -24.430 128.176 -76.420 113.637-125.947 141.890-141.517 132.040 120.849 147.195 -86.320 125.310 -17.056 124.963-109.214 95.020 68.616 126.918 -32.702 94.389 137.527 141.888 -39.868 106.001 123.506 143.298 177.822 94.939 79.813 139.594 -38.969 92.491 0.000 128.967 -76.496 # 167 total E -9.39115E+01 rmsd from N 0.000 %NC 0.00 123.265 -95.644 149.882 -55.467 122.480-133.827 139.023 -63.488 92.278 50.646 141.352-113.686 92.540 50.462 128.742 -76.304 97.550 106.606 140.504 109.899 90.017 143.208 105.560-161.750 147.221 93.034 142.725 -42.539 93.923 164.504 167.310 161.046 134.763 -72.444 128.371-119.516 87.926 56.860 127.283 -41.202 106.067 29.839 137.127 -96.235 95.344 49.744 102.155 -97.059 91.728 67.530 109.326 -90.287 92.536 -94.340 101.164 -84.693 96.837 -52.449 138.357-142.252 126.011 177.058 131.856 129.868 100.665 -67.406 133.162 -85.185 100.167 -82.169 139.920-100.837 113.665 151.692 143.885 114.409 122.234 55.483 154.992-156.235 125.739 -37.101 0.000 0.000 98.057 155.565 131.453 -25.236 117.540 128.727 165.042-163.169 98.929 -72.154 134.511-124.698 135.350-130.445 129.021 -76.823 122.842 157.131 153.883 -30.608 114.139 -49.591 142.527-130.090 92.872 98.509 114.982 -86.716 113.151 -14.055 115.346 -90.667 105.576 3.684 100.353 -89.896 133.790 -63.882 156.373 -73.002 139.380 -72.455 100.465 -96.734 88.517 172.067 112.824 -71.665 144.269 -73.694 131.573 -83.818 85.721 62.850 104.551 -89.241 89.961 47.013 132.909 -99.071 91.547 119.031 142.995-129.115 93.394 -7.274 129.055 -77.285 96.337 -84.156 126.830-129.171 93.993 -10.790 130.595 -76.511 98.662 107.859 140.241-111.971 94.156 108.400 122.448 13.348 92.181 -56.904 143.795 -52.508 95.455 -48.265 110.247 -81.357 97.469 112.495 145.359-123.217 114.642 0.000 144.984 -68.539 # 168 total E -9.36377E+01 rmsd from N 0.000 %NC 0.00 92.603 134.143 129.129 -61.100 94.740 49.109 149.048 67.119 94.470 48.989 150.155-164.842 92.386-114.330 128.048 -75.250 127.006 172.025 159.910 13.432 123.855 -26.854 88.776 -77.234 94.663 85.091 110.592 -53.636 116.210 137.922 161.577 -59.979 89.396 70.890 93.117 37.436 91.194 21.458 105.895 -86.443 113.820 42.940 161.669-145.450 99.117 35.955 131.957-154.255 91.430-130.371 133.736 155.038 117.291 165.578 135.688 154.214 91.953 54.548 129.172-169.272 93.039 51.123 104.789-111.048 99.838 -70.439 136.882 -74.740 138.814 35.504 133.098 -60.917 123.826-103.159 136.525 -39.621 96.955 16.658 145.244-139.008 99.878 130.431 0.000 0.000 125.764 161.449 98.343 -78.775 125.542-134.462 160.679 -45.473 103.327 -13.538 115.747-146.948 98.309 -57.635 108.864 -71.123 90.933 -33.145 123.476 -58.440 96.728 130.004 141.088-137.455 94.484 19.962 152.739 -15.894 95.681 119.061 149.517 -16.610 131.872 -57.832 117.014-116.402 111.363 12.191 114.733 -80.905 95.333-140.149 134.374-145.801 125.319 9.080 135.210 45.841 91.768 61.020 130.874 -76.711 90.346 45.808 133.323-122.442 93.425 87.845 134.586 -92.421 142.789-104.374 176.443-169.301 95.515 -48.756 128.823 -77.021 96.886-122.835 100.707 -59.918 93.088 40.508 130.455 -77.250 95.090 56.232 141.936-119.232 94.904 133.898 124.523 -13.972 121.848 -26.746 155.020-122.540 104.719 47.720 138.651-156.043 121.035-114.231 150.186 -17.920 125.055 0.000 146.078 -85.405 # 169 total E -9.35990E+01 rmsd from N 0.000 %NC 0.00 93.073 -73.572 116.434 -49.942 94.650 -49.916 138.334 -57.103 97.723 -32.960 104.802 -78.660 95.496 109.418 130.290 -77.420 141.166-131.308 173.208 144.200 122.910 -91.441 91.655 -77.746 114.947 175.989 124.996 0.675 107.115 -53.235 130.931 -82.312 105.375-150.352 115.935 -64.927 114.085-109.245 129.883 120.828 139.082 93.185 176.445 8.522 95.738 42.765 97.551-110.240 97.852 30.479 148.281 -42.167 126.602-176.803 149.902 -98.293 105.437 124.482 154.969 -21.613 127.572-120.630 145.890-142.411 95.326 49.048 144.944-145.542 91.752 62.623 137.171 -90.839 92.791 50.890 83.263 -73.764 115.485 169.302 176.451-162.277 93.575 130.944 0.000 0.000 129.846-108.535 163.314 3.863 96.419 21.334 137.319 -87.933 95.107 139.151 97.985 -96.309 126.487 -36.344 121.906 -82.948 93.630 -21.014 148.058-157.325 113.807 -51.066 129.119-162.027 115.822 144.888 118.940 -87.057 137.724 50.147 176.426-179.039 136.966 169.692 111.745-101.905 108.663 -2.629 116.177 -81.298 94.413 79.848 138.929-159.443 96.066 25.029 109.814 -74.201 96.606-106.664 130.340 -77.093 92.353 -98.672 151.859 -45.326 141.796 61.502 146.440 174.415 124.236 136.441 141.741-130.442 148.118-171.404 144.838 -66.854 89.688-169.980 121.443-104.095 92.869 -61.353 130.913 -78.844 90.992 -44.546 142.724-116.262 88.556 -52.717 126.120 -20.385 90.555 -54.206 150.737 -31.363 90.779 -48.298 108.201 -84.362 95.764 115.528 143.161-121.184 121.035 0.000 145.620 -83.318 # 170 total E -9.35717E+01 rmsd from N 0.000 %NC 0.00 127.842 168.408 138.131 -17.181 91.093 -65.488 150.974-116.504 95.726 -55.130 150.677-153.502 89.669 105.725 129.944 -77.333 92.798 50.590 123.541-117.986 92.601 42.041 72.830 -86.002 91.324 55.391 113.669 -60.624 97.442 -80.760 118.223 -87.690 115.826-106.486 119.487 -84.339 92.680 62.145 111.059 135.125 90.206 154.140 147.207 -34.378 99.760 -36.720 97.028-110.695 93.775 -46.223 129.684-141.712 95.265 -49.042 135.280-168.546 93.678 -45.624 157.444 -19.386 94.948 123.224 153.326 -87.849 93.640 42.985 138.880 -99.950 99.144-138.193 139.361-119.126 127.133 178.883 123.301 37.478 101.026 -57.837 142.918 -47.745 94.517 -39.647 0.000 0.000 89.966 -64.523 119.372 -43.342 92.393 -21.930 171.221-177.472 101.459 -85.921 91.616-110.152 118.638-141.681 117.755 -78.103 104.875-131.365 147.413 -44.688 93.520 39.102 136.794-107.932 92.380 52.010 118.436 -91.934 96.089 39.190 149.044 -4.038 98.323 41.377 118.487-135.210 95.205 40.096 128.504-130.236 99.834-134.882 122.689 -70.058 94.446 108.287 129.105 -35.216 141.555-103.945 136.226 -73.511 103.945-146.399 108.352 -81.461 92.017 69.737 141.685-176.096 91.128 43.722 117.114-143.105 93.177-109.868 128.151 -75.681 117.174-119.049 128.912 115.069 119.359 105.722 158.170 -96.340 95.525 -19.741 142.533-133.348 93.317 -71.852 124.429 -10.420 93.405 16.990 157.402 -17.472 113.966 -65.863 158.291-162.511 117.394 -98.626 149.194 -20.334 125.018 0.000 146.154 -85.636 # 171 total E -9.34140E+01 rmsd from N 0.000 %NC 0.00 125.404-105.907 144.542 -31.603 100.301 -33.573 144.646 -87.069 96.415 -53.583 142.749 -36.886 93.972 148.959 130.279 -76.677 114.343-164.561 155.531 176.720 132.616 -10.317 121.018-149.913 134.243-143.946 115.783 -33.831 97.257 47.240 170.696-152.697 92.238 61.686 135.864 159.850 93.046 155.037 113.226 -27.734 106.204 56.541 145.479-130.631 93.510 39.297 97.121-118.318 94.343 118.469 139.631-131.743 91.789 -55.794 153.637 -40.553 93.090 -48.881 143.225-151.043 96.199-111.468 132.316 -99.562 92.241 56.852 156.573-133.795 93.507 55.682 148.296 17.423 95.474 123.910 95.834 13.249 112.578-132.344 144.627-103.693 95.964 119.823 0.000 0.000 146.084 2.796 175.929 143.004 108.145 -9.175 142.119 -98.666 97.565 -59.587 136.124-158.476 93.793 -25.054 116.607 -76.997 111.600 162.802 157.745 178.525 96.837 -54.299 119.923 -49.844 94.169 139.580 147.185 -30.563 152.665-158.033 116.714 -88.254 135.319 -55.210 116.428-113.349 137.552 31.606 123.412 -83.047 95.078 -58.082 120.566-110.673 95.155 168.352 125.903 1.541 94.598-160.525 128.621 -75.953 91.928 -77.241 136.232-135.528 93.040 146.873 122.037 151.992 129.657 -87.592 118.337-105.576 90.373 59.276 128.874 -76.181 91.238 63.755 111.541 -41.176 91.074-144.250 130.083 -76.476 91.052 90.710 150.251 -96.943 90.372 54.191 131.341 -93.370 91.721 36.394 115.512-109.647 100.865 -88.176 139.897-140.765 123.536-160.039 149.995 -15.986 124.779 0.000 147.396 -84.286 # 172 total E -9.33400E+01 rmsd from N 0.000 %NC 0.00 119.351 128.757 145.827 -44.641 104.623 41.484 125.778 42.781 93.710 46.082 145.101 -30.984 92.966 43.070 128.540 -75.597 97.280 159.201 131.095 -8.510 90.762 -74.444 110.902-135.569 92.387 96.185 111.939 -11.721 157.010 -99.917 133.485 -82.360 107.034 82.129 139.024 -45.749 88.181 46.205 124.830-126.659 95.589-137.900 103.689-115.024 95.487 88.070 129.814-155.037 101.885 170.149 103.944 -84.125 123.996 -54.958 161.782 177.486 119.415 -96.491 144.188-169.434 95.944 52.925 139.053-103.943 101.960-148.002 143.039 -71.661 139.576 162.086 146.983 92.471 104.571-179.919 126.842 -41.558 132.997 96.899 162.926 179.151 102.488 -31.055 0.000 0.000 98.024-140.651 143.347 4.897 130.262 85.026 159.870-132.537 96.189 -24.785 112.565-152.654 105.290-168.452 111.353 -75.088 139.949 -15.707 176.431 10.457 96.202 45.244 141.650-129.930 97.344 33.574 154.977 -20.442 98.145 57.055 147.220-111.149 126.553 175.044 119.986-122.577 121.272 -70.457 115.497 -80.647 121.837 114.278 128.254 26.505 102.976-101.779 115.897 -74.786 104.223 52.645 148.306 -80.380 92.979 129.256 103.617 -83.416 93.232 -53.526 115.695 -99.100 90.622 -67.636 119.806 -83.667 91.934 128.095 128.840 -75.570 96.612 109.372 150.786 -83.997 101.436 -15.015 141.394-103.387 94.286 -70.896 141.571-108.308 92.520 6.202 140.523 -45.304 114.184-158.835 163.839-167.058 150.292-143.584 111.996 -90.333 110.932 116.720 148.568 -20.709 92.616 0.000 129.124 -76.628 # 173 total E -9.33324E+01 rmsd from N 0.000 %NC 0.00 93.587-166.524 138.698 -99.630 139.143 -81.443 150.087 160.254 97.202 49.755 147.087-157.854 90.605 59.519 130.435 -76.911 91.039 141.099 98.461 -86.247 93.051 70.658 134.238-135.860 92.553 33.570 72.541-114.193 99.679-178.202 124.389 -70.514 150.425 149.630 176.309 175.788 89.695 59.292 141.504 -28.211 114.644 6.434 134.943-125.211 108.079 34.903 126.431-140.288 96.772 36.707 147.880 -48.345 94.861 46.688 136.155-118.037 91.003 47.263 124.618-131.721 91.683 52.067 126.135-118.878 94.153-124.492 123.600 -79.320 94.123 122.742 139.258 -94.478 94.445 50.078 140.587 -79.922 95.152 120.354 144.491-140.646 93.780 -40.586 0.000 0.000 90.874 -56.698 137.996 -37.812 88.552 -45.933 133.360 -68.940 90.441 -45.657 127.067-120.710 90.374 -43.111 109.874 -70.798 93.654 -47.938 132.282 -47.131 96.346 -16.199 141.821-131.467 107.028 -47.594 104.157 -82.905 94.014 -3.093 159.541 -11.453 126.811 127.437 117.171-117.405 98.072 116.170 132.606-176.047 120.491 54.838 133.809 -7.611 94.240 -93.985 112.368 -75.126 92.413 37.578 128.213 -75.795 111.180 -51.700 106.052 -79.281 127.148-159.438 150.183 -18.240 102.075 16.308 128.862 -81.434 97.339 58.522 128.136 -76.038 115.083 64.782 144.554 24.393 92.364 -67.613 129.853 -76.881 93.842 -44.317 143.149-114.002 92.763 -70.973 129.345 33.922 90.981 104.747 160.444-165.408 94.713 39.219 139.205-151.375 97.366 53.070 144.166 -25.691 92.510 0.000 129.146 -76.579 # 174 total E -9.33219E+01 rmsd from N 0.000 %NC 0.00 93.018 -55.392 130.204 -91.642 100.843-104.057 119.006 -66.730 96.256 98.924 155.916-144.138 137.963-165.563 137.321 -85.362 130.194 49.364 156.591 7.302 121.134 -9.559 176.413 163.428 92.361 61.311 81.570-116.634 95.904 -6.071 128.415 -95.258 108.447 119.734 140.033-106.551 163.923 -49.851 120.890-119.317 127.813 -43.880 133.910-148.863 110.996 -49.464 115.911-127.068 94.847-120.758 137.058-162.834 133.487 140.363 159.487-158.225 98.228 35.941 152.727 -34.510 91.742 49.442 154.397-167.532 90.479 52.549 123.702-160.097 88.821 60.313 137.569 -91.298 87.769 47.458 64.663-113.013 96.664-161.657 137.667 -40.262 100.660 -0.229 0.000 0.000 101.883 -86.104 139.170 109.674 148.170 136.612 139.971 -90.256 90.640 98.857 130.408 125.119 95.150 159.381 111.833 -79.451 141.775 121.767 169.998-168.892 108.904 -45.606 127.229 179.662 97.727 71.708 151.977 -21.058 123.606 7.608 154.088 -14.639 106.371 167.321 99.695 -86.271 112.903 147.152 114.950 -76.302 115.462 15.995 128.855 13.472 90.332 64.855 108.825 -78.631 92.656 18.047 127.962 -76.607 100.173-116.378 135.934-116.883 93.142 -14.699 140.948 -14.762 109.712-140.605 160.126 -17.203 114.826 -68.851 127.093 -87.955 91.566 176.574 116.546-104.576 129.500 123.424 149.994-102.092 125.584 78.466 151.976 -92.697 118.634 44.314 135.938 -61.890 118.152 -3.448 137.458-102.785 126.084-120.520 104.781 -85.890 118.061-173.917 149.299 -15.915 127.747 0.000 145.831 -93.428 # 175 total E -9.32824E+01 rmsd from N 0.000 %NC 0.00 122.731-121.722 151.925-115.364 126.605-116.470 144.360 -38.669 94.907 46.809 107.511 -79.311 92.746 75.664 130.721 -77.089 94.158 -68.588 69.282 -66.408 109.032 141.356 139.453 1.273 94.073 63.845 109.008 -57.599 95.635 -72.156 137.812 -82.412 114.457 -53.460 131.624-105.292 106.244 170.386 90.230 -81.253 126.488-161.282 168.672-154.518 97.412 89.677 94.342 -98.852 94.715 -70.058 109.443 -82.067 92.099 -46.948 134.716-127.871 93.312 -48.286 158.060 -16.642 92.369 -41.380 135.941 -84.887 103.407-153.329 153.875 124.481 99.122 -63.202 143.077-120.424 96.274 100.836 140.303-125.329 120.672 -74.576 110.784 -86.783 109.900 -80.712 0.000 0.000 122.494 -84.010 113.150 -77.007 96.424 53.419 141.500 -90.862 94.799 40.478 133.487-144.235 91.596 58.894 126.936 -74.121 92.161-127.530 127.525-110.927 95.927 107.872 138.755-112.608 119.628 163.239 116.415 -83.917 124.511-137.689 167.415-157.812 99.819-164.944 94.748-103.036 95.476 50.926 114.804 -77.923 92.873 39.865 129.637 -99.481 100.924-150.825 130.650 -31.451 98.176-116.913 127.758 -74.892 89.095 51.383 143.305-142.512 90.665 50.040 114.267 -42.329 91.019 45.463 138.001 -32.316 92.779 37.449 127.073 -73.980 96.438 32.235 107.931-108.695 113.945 19.046 131.267 -93.496 99.046 37.734 137.806-128.701 95.252 34.361 136.313 -93.787 114.946-162.207 112.073-103.791 93.032 25.428 150.989 -31.970 121.131 107.177 104.030 -77.862 120.494 0.000 150.631 -81.447 # 176 total E -9.28108E+01 rmsd from N 0.000 %NC 0.00 93.559-151.728 136.398 -90.420 102.358 51.790 124.911 63.527 93.444 55.877 143.172 -5.922 93.287 -91.178 128.420 -75.261 121.787 139.462 160.229 5.797 125.873 2.164 126.732-154.476 96.574 54.703 114.455 -50.677 128.721-143.631 131.548 -61.487 91.613 32.167 140.369 -41.536 115.552-112.499 143.439-112.068 94.651 90.087 130.942-145.604 100.606-104.485 94.173-115.566 130.362 -65.188 162.928 2.285 94.098 56.681 153.390-174.967 91.730 41.700 149.446 -30.118 91.546 63.135 158.376-125.511 91.451 105.266 159.587 -70.196 92.847 49.769 124.438 -89.451 95.827-109.833 109.001 -66.007 94.113 23.311 143.432 -10.166 112.996 -30.506 0.000 0.000 133.356-150.751 159.809 4.435 100.087 38.930 132.492 -90.298 102.676 -4.051 129.026-118.563 127.264-175.980 132.309 -47.013 107.964 49.707 162.243 -14.387 93.453 114.190 139.466-150.426 95.455 -32.963 105.732 -87.688 96.684 -57.554 153.350 -21.999 95.602 -47.717 94.236 -84.713 94.307 -42.373 121.789 -76.687 100.203-133.447 113.393-125.966 112.161 120.418 118.143 -75.133 101.682 -33.721 127.502 -75.441 91.988 99.478 140.441-152.535 88.622 50.391 120.566 -93.050 91.758 43.921 120.961 -78.962 94.285 34.621 129.347 -76.658 102.790 -1.610 92.252 -89.009 134.051 87.364 133.847 -86.363 97.289 -58.987 131.712-135.818 93.567 177.188 133.346 -58.775 138.604 109.731 156.844-158.936 96.811 50.312 138.693-157.371 98.247 120.709 144.862-123.596 120.473 0.000 146.613 -81.093 # 177 total E -9.26075E+01 rmsd from N 0.000 %NC 0.00 92.468 45.398 124.346 -64.236 140.763-140.925 138.407 -53.601 99.536 29.676 107.191 -81.849 115.959 -42.610 143.353 -86.433 119.870-160.422 85.939 -66.157 109.694 110.155 137.208 14.149 90.693 -36.056 99.349 -53.606 101.682 -56.108 171.156 137.654 152.921 166.737 173.353 176.285 89.612 55.029 127.591 -20.676 95.563-156.548 140.044-106.119 93.631 65.902 96.600-121.221 97.367 56.352 99.721 -82.520 111.256 4.906 141.673 -32.745 98.812 55.712 159.112 -8.148 91.491 42.286 149.643 157.651 91.841 44.433 121.617 -83.921 91.268 47.764 117.582 -24.852 90.660 51.517 143.130 -75.359 91.098 37.584 148.510 -20.344 94.496 107.362 0.000 0.000 96.098 -30.532 108.876 -86.481 96.031 -63.552 141.181 -84.089 91.505 -33.106 120.568-169.239 103.719 -96.071 114.462 -73.523 90.889 73.435 144.424 -34.417 93.040 52.399 142.559-162.076 92.890 143.790 101.861 -83.348 147.028-132.631 117.379 -84.034 128.610 20.907 113.713-112.861 130.021 151.629 122.225 -81.653 92.853 54.948 142.402-164.647 92.221 61.751 112.203 -74.858 93.914-138.737 128.160 -75.904 101.093 140.779 143.179 -2.540 107.320 -29.428 110.569 -90.705 89.805 103.655 127.063 -62.217 91.289 47.988 130.236 -78.449 91.758 50.981 117.034 -50.302 93.952 -95.272 128.963 -76.409 118.631 53.146 150.535-142.126 128.520-119.910 139.532 -62.696 126.373 162.960 156.683 -3.967 120.035 103.441 141.856 168.215 96.650 109.731 99.595 -81.305 124.034 0.000 144.479 -92.334 # 178 total E -9.23729E+01 rmsd from N 0.000 %NC 0.00 123.053 148.891 143.012 -32.375 114.742 144.628 139.501 43.858 149.443 -77.295 111.050 -81.090 122.296 50.187 136.014 -85.020 117.583 -91.829 84.454 -73.404 93.714 31.758 117.526 -8.618 115.960 -50.181 135.535 -17.995 128.928-115.580 150.686 -35.250 113.375 115.775 146.440 -12.587 88.384 -22.679 131.863-165.596 105.292 -77.030 128.905 172.500 109.783 31.157 125.888-142.330 96.746 154.779 134.077-167.723 125.178 41.768 125.334-136.316 103.012-170.002 133.715-152.376 119.867 34.736 151.839-149.325 95.464 41.676 138.496 -83.265 115.871-148.709 149.804 -52.824 111.741-126.492 130.444 -22.576 103.832-105.724 143.834-117.361 97.348 120.933 0.000 0.000 94.158 176.862 108.224 -81.451 130.784-154.032 161.088-155.010 114.873 -2.478 119.399-171.789 98.524-131.942 112.847 -74.570 105.112 33.047 154.390 -23.105 93.770 51.052 139.297-126.362 92.700 35.159 143.529-128.971 109.810 -76.479 104.173 -88.813 129.704-134.879 107.417-101.904 106.480-166.551 130.180 -15.257 100.678 22.374 117.780-132.734 104.883 -69.677 113.335 -77.410 120.082-114.636 136.067 -75.485 93.453 71.806 141.296 -3.519 91.605 117.917 128.601-124.331 91.090 -42.145 108.991-112.684 91.672 -57.263 127.836 -75.975 90.859 -43.507 137.355 121.229 92.505 118.845 130.709 -76.523 93.749 42.844 144.175-135.419 93.686 80.409 132.237 -29.496 91.063 -73.275 151.858 -36.450 99.474 -53.459 106.996 -84.788 94.669 129.791 143.830-122.091 123.687 0.000 143.663 -88.520 # 179 total E -9.20682E+01 rmsd from N 0.000 %NC 0.00 92.932 157.147 133.720 -77.996 125.447 147.873 128.427 26.281 107.400 -61.375 141.785-137.050 94.519 37.503 127.107 -73.882 120.257 132.276 155.228 5.442 117.964 91.337 137.318 153.434 90.991 64.272 111.216 -31.428 93.767-162.389 130.307 -86.088 91.659 75.470 130.940 159.353 89.628 46.192 106.248-138.154 94.486 149.286 143.182 -38.529 92.914 55.671 103.645-115.247 115.552-141.461 103.449 -86.114 93.458 86.635 156.387-158.746 90.332 56.086 111.399 -84.969 91.919 44.809 140.461 -80.374 95.344-112.859 140.987 -79.440 99.021 -53.341 139.580-106.757 104.548-151.261 126.846 14.795 122.559-160.377 109.838 -76.709 106.291-103.846 0.000 0.000 136.630-118.532 173.065 146.457 102.456-134.864 137.220 -88.066 93.202 62.315 109.940 175.548 91.818 28.695 108.067 -73.025 106.415-151.567 136.082 -35.427 88.086 38.616 135.953 -41.615 116.376-135.930 150.353-137.080 107.876 138.382 149.853-116.807 103.999 -71.513 94.953-119.064 96.922 106.123 113.339 -78.098 128.517 57.361 134.448 -90.846 105.741 -40.768 116.075 -76.436 94.210 -41.459 126.725 -75.405 91.308 -45.400 143.461 -47.592 91.088 -51.460 137.176 160.328 91.400 118.048 143.473 -25.854 104.435 29.485 129.404 -92.666 95.883 39.366 121.219 -86.584 114.064 15.666 141.281 -89.744 98.283 38.582 149.684 175.208 95.254 45.660 135.995 -90.919 93.138 42.012 108.656-118.537 98.472-100.562 109.132 -91.119 121.789-173.536 109.973 -78.684 126.646 0.000 147.352 -88.726 # 180 total E -9.19635E+01 rmsd from N 0.000 %NC 0.00 123.284 -96.618 149.358 -61.060 93.847 -54.178 121.203 -79.347 92.188 -42.628 104.442 -78.395 91.842 -54.801 128.689 -75.691 90.067 -24.550 139.053-126.661 108.977-140.721 72.603 -82.348 96.849 82.415 129.776 68.385 107.495-138.258 120.781 -68.233 149.545 160.100 176.331 169.477 95.627 58.757 118.178 -20.016 90.675-127.380 130.828 -76.657 95.129 39.495 124.730-147.183 99.899 -13.151 107.155 -79.751 144.418 9.485 176.431 14.726 149.670-171.482 121.243 -78.491 93.508 57.477 113.148-143.347 93.943 35.747 112.858 -87.749 102.815 148.403 160.362 -66.129 94.067 49.775 144.569-176.234 93.999 48.072 147.262 -27.438 95.981 56.957 0.000 0.000 140.077 -57.552 161.536 121.026 130.509 173.885 164.026-128.793 131.110-101.746 125.348 177.694 95.131 68.212 117.167 -77.419 105.466 -1.128 144.417-101.989 130.958 170.008 146.318-140.985 126.679 177.465 153.986 -9.713 107.633-113.596 153.328 -19.532 108.817 19.084 132.224-150.417 93.995 59.018 117.361 149.680 93.748 -9.026 145.835-147.929 113.238 103.539 117.078 -75.302 97.188 -34.828 127.914 -76.000 98.063 161.778 136.368-171.248 94.612 37.881 135.302-140.435 90.681 95.933 145.498 169.843 92.640 -0.757 129.885 -78.003 97.398 -89.082 118.975-116.915 93.833 -19.460 130.486 -76.535 99.763 94.206 138.153 156.954 117.082-168.837 126.385 23.955 134.168-164.679 161.391-161.876 97.011 46.110 149.386 -34.505 99.323 22.857 143.284 -29.802 92.498 0.000 129.399 -76.511 # 181 total E -9.18367E+01 rmsd from N 0.000 %NC 0.00 92.818 78.434 142.249-113.501 94.468 47.634 141.102-107.929 99.093 119.157 146.931-135.866 92.079 -39.565 127.129 -74.661 94.061 -54.312 149.054 -6.509 95.257 17.755 89.368 -63.838 120.632-102.700 131.626 -47.539 97.063 56.197 129.235 -76.272 92.793 162.051 140.496 -83.947 108.989 122.313 116.247-166.296 134.568 56.446 133.124-145.244 128.209 57.732 118.301-120.647 99.942 28.071 113.837 -91.517 95.268-107.333 126.539-100.670 95.138 -1.024 151.800 -9.306 99.222 79.312 153.127 153.462 114.064 163.097 148.554 116.454 93.439 58.960 126.180-161.266 91.686 56.067 146.037 116.151 91.185 41.442 140.719-140.494 96.465-107.516 0.000 0.000 102.376 167.190 148.199 133.666 115.208-172.034 117.319-115.372 103.260 -4.791 121.501 168.246 107.377-139.342 115.858 -74.529 113.935 -73.745 142.992-104.193 109.328-119.888 119.854-135.332 94.529 62.252 154.581 -9.341 94.337 99.651 141.661-105.344 112.228 71.481 120.550-130.660 94.785 118.991 118.315 -80.866 91.726 -45.350 108.831 -63.768 90.911 -47.624 109.702 -72.677 90.724 -45.910 126.812 -74.553 89.219 -43.897 130.548-134.591 88.360 -49.795 97.276 -75.906 87.586 -49.420 141.734 -38.350 89.067 -45.309 150.187 -87.112 89.387 -48.608 118.355-129.578 91.062 -45.625 129.014 -75.490 91.902 -39.625 143.602-133.948 91.941 -49.939 132.049 -21.949 92.051 -44.115 148.035 159.972 95.670 114.370 133.219-166.619 114.604-145.807 154.248-146.615 125.210 0.000 147.560 -84.830 # 182 total E -9.12292E+01 rmsd from N 0.000 %NC 0.00 118.497 -33.970 152.050 -77.061 136.549-153.307 132.409 -47.631 96.152 43.074 146.220-128.761 105.986 -63.569 146.424 -85.543 124.107-137.355 152.508 146.476 115.077-149.742 152.762 -8.238 99.028 44.299 100.679 -73.927 96.807 28.003 131.030 -70.312 111.208-131.363 152.575 -35.675 105.289 176.783 125.594 2.530 116.889-144.984 141.258 -95.492 112.951 125.466 123.095-135.840 97.396 11.247 119.240-116.978 105.500-147.833 141.854-118.502 126.676 -97.621 147.703 177.499 126.468 84.740 152.246 159.932 97.711 -46.274 132.749 -88.405 100.405 160.463 142.086 75.186 124.783 0.111 114.699 -99.119 94.233 -48.442 142.125 -58.087 97.038 -32.395 0.000 0.000 98.199 -42.689 104.386 -81.076 95.901 -30.428 145.885 -80.821 100.920 -56.242 134.484-144.625 94.652 18.267 117.886 -78.096 124.144 106.864 148.432 -85.354 96.315 8.784 141.310 179.089 105.735-139.583 113.010 -84.910 119.505 128.904 160.501-147.611 97.356 36.053 94.474-110.056 94.741 46.747 116.045 -75.971 92.092 45.448 148.762-131.365 90.899 44.470 111.890 -75.021 92.181 42.699 128.267 -75.914 89.142 47.359 136.192-133.039 89.430 47.074 111.602-126.813 89.351 54.545 138.467-131.673 89.466 42.349 127.779 -76.579 92.313 151.088 96.296 -78.153 137.882 92.954 156.173 -92.115 95.039 39.046 140.795-114.879 94.861 48.743 127.223 -39.888 93.425 42.003 142.461 -96.198 99.137-105.417 139.182-152.389 123.651-168.545 110.189 -78.848 125.675 0.000 147.482 -86.306 # 183 total E -9.11856E+01 rmsd from N 0.000 %NC 0.00 92.614 121.247 128.293 -76.204 141.765 94.633 119.762 28.709 96.083 59.447 149.974-130.281 93.373 56.091 128.866 -74.500 97.877 157.643 128.572 -2.264 94.015 -32.211 123.058-154.805 96.966 -78.537 106.441 -48.267 89.469 52.471 123.350 -48.831 109.240 80.763 159.826 -21.779 85.067 141.250 111.849-140.781 127.147 -72.533 148.598-177.533 131.008-170.871 116.849-116.440 91.510 65.587 132.793-122.695 98.381 67.950 117.230-112.377 100.099 -65.782 142.513-144.027 98.545 -58.952 137.206 -98.181 94.348 29.382 139.309 -26.285 127.611-115.705 124.055 39.770 124.100-133.521 117.734 -79.547 91.511 55.136 147.400 -27.660 179.562 121.432 0.000 0.000 105.474 -22.619 130.542-106.504 95.620 -59.169 122.020 -92.605 91.770 83.638 116.307-120.913 137.516-179.481 117.863 -80.466 113.517 -85.565 146.281 -20.619 92.070 69.072 142.837 159.058 91.715 38.622 132.554-138.993 94.205 53.286 151.816 -24.636 111.728 -78.028 116.393-125.789 118.362 108.729 139.998-123.374 131.007-102.499 128.059 -39.435 101.287 173.591 112.531 -73.624 137.045 179.019 154.333 -75.348 93.544-145.962 91.670 -83.541 131.619 -31.052 170.463 2.406 127.752 129.875 163.026 -7.577 94.868 -37.534 129.305 -76.368 98.584 -47.077 125.771 -96.733 113.201-168.172 148.586 -96.029 144.076 -37.443 127.707-143.239 95.681 60.916 133.644 -25.501 91.829 54.595 161.680-162.593 90.449 42.159 111.579 -84.086 95.385 75.332 104.416 -79.906 92.567 0.000 128.954 -76.778 # 184 total E -9.10261E+01 rmsd from N 0.000 %NC 0.00 124.741-100.923 143.414 -41.708 96.082 -48.466 117.578 -73.412 96.505 -26.574 149.429 -8.922 105.284 -25.468 144.393 -81.012 121.308 -35.906 108.519 -73.628 117.052 -13.072 113.119 -35.382 97.014-116.215 131.516 -33.223 144.050 115.140 153.949 178.270 94.681-108.247 141.892 -34.649 110.200-133.882 126.198 148.769 141.892 3.644 146.014 179.095 96.754 33.258 95.459-115.018 98.130 47.351 142.314 -40.689 112.546 -48.435 118.842 -82.741 122.071-120.128 146.016 -53.477 124.901 121.946 137.695 127.305 101.191-114.678 127.927 -83.838 129.493-154.755 136.642 49.083 107.782 -26.818 151.546-122.882 93.746 -52.040 106.932 -81.906 91.917 -44.054 0.000 0.000 89.996 -54.440 129.970 -42.442 90.237 -37.748 140.268 -64.616 94.674 -51.596 108.916 -94.728 95.985 89.328 111.613 -73.683 125.774-156.817 139.298 -73.121 91.833 67.359 143.491 -56.253 94.064 -79.740 147.513 -34.612 123.590 -21.104 163.451-165.551 102.704 -29.575 94.443-113.622 99.010 -36.155 112.168 -78.184 100.012 -28.198 132.076-172.472 103.576 -32.078 133.213 29.899 97.777 -41.837 127.746 -75.153 98.151-111.846 137.178-140.846 91.176 142.452 113.081 160.908 95.313 -34.412 113.047-100.720 92.803 -59.200 128.358 -76.387 90.940 -50.386 135.775 12.241 106.778 173.221 150.818 -92.347 94.969 -35.145 148.155-166.869 94.137 -74.454 126.835 -13.431 92.601 32.172 164.189-163.166 118.697-175.612 156.789 -14.416 133.447 -47.590 112.179 -83.262 123.357 0.000 144.563 -86.304 # 185 total E -9.08937E+01 rmsd from N 0.000 %NC 0.00 92.722 -26.060 127.704 -76.172 120.779-100.579 134.451 -46.224 93.694 46.003 142.243-123.986 115.200 127.984 146.010 -84.656 113.740-171.422 151.116 122.517 151.546 44.176 96.859 -99.992 125.614 -4.634 136.747 -60.926 94.842 -56.184 115.476 -74.456 89.739 -33.973 133.829 -62.789 98.670 -63.206 140.670-129.269 89.383 94.823 134.446-121.170 127.578 63.439 118.364-121.545 99.071 51.282 109.475 -80.085 103.871 -88.983 140.346 -80.792 104.720-164.669 151.241 -34.808 109.042 -7.264 142.670-169.227 94.630 -77.982 124.728 -73.796 92.014 32.659 140.170 -99.342 115.344 -87.414 104.989 -80.505 116.462-174.205 164.319-152.538 96.311-143.251 0.000 0.000 94.174 -57.681 151.424 -8.076 89.931 -44.329 140.871 -86.330 91.052 -51.814 120.330-130.135 90.459 -59.564 121.645 -1.116 90.982 132.601 157.891 -39.616 97.854 121.557 145.018 171.248 92.332 -42.452 108.644 -92.667 96.783-143.053 110.599 -75.575 95.674 45.072 134.652-161.478 93.107 43.123 113.841 -77.601 93.496 52.615 138.133 31.665 100.574-102.029 112.073 -75.169 99.171-140.232 128.621 -77.316 99.443 122.139 143.192 5.554 91.810 -97.810 110.978 -85.885 95.207 89.666 141.243 -22.742 125.839 -43.378 151.715 -78.618 149.270-177.260 140.545 -11.885 130.901 108.244 144.223 -98.819 97.698 32.652 133.114-124.616 94.029 97.277 129.672 -15.732 91.757 67.319 150.135 -34.491 89.908 38.796 152.014 -38.319 96.570 107.744 145.140-124.782 121.288 0.000 146.046 -85.063 # 186 total E -9.04051E+01 rmsd from N 0.000 %NC 0.00 123.491-133.367 149.019 -71.312 96.036 14.288 129.787 -85.735 106.014 -95.538 107.835 -79.315 123.825 164.642 145.589 -81.318 135.414-142.852 164.064 148.937 157.861-163.891 114.571 -96.567 90.177 -19.493 117.279 -48.828 106.969 -0.868 170.627 169.518 148.754 101.543 173.172 167.520 94.171 24.662 99.540 -84.622 98.315 -95.085 146.014 -93.240 104.363 -44.879 123.734-140.261 91.308 -51.640 139.359 178.573 100.698-169.807 154.449 -23.941 97.725 110.961 109.340 -87.712 102.382 -11.809 143.810 171.249 96.896 -73.145 135.797-123.106 94.317 -10.024 138.701-101.091 118.246 -28.554 146.229 104.056 133.408 118.739 161.363-171.551 94.824 100.748 0.000 0.000 96.710 -7.664 125.550-102.106 98.964 -86.263 126.601 -83.717 88.759 -55.170 114.492 -43.582 95.155 -70.389 115.124 -71.531 93.307 89.652 135.675 -54.122 97.155 36.381 144.562-167.302 109.001 41.890 152.804 -14.591 118.189 13.948 158.104 -13.249 130.417 -82.004 108.442-102.359 92.294 -43.692 109.007 -76.522 90.536 -56.063 142.491-101.556 88.030 -58.945 110.515 -67.660 91.604 -24.576 128.748 -76.274 98.450 -64.196 101.435 -79.716 94.358 6.784 176.434-156.764 116.187 107.738 154.495-159.511 94.244 -2.557 128.549 -76.462 104.555-176.940 126.605-104.564 137.959-151.830 154.126 -82.475 115.662 -70.032 141.091 -38.622 98.060 54.749 129.823 28.863 115.639 136.595 136.969 -24.299 109.063 8.934 144.211-169.997 99.248 62.368 144.947 -38.055 122.227 0.000 145.468 -90.941 # 187 total E -9.01658E+01 rmsd from N 0.000 %NC 0.00 92.668 54.055 138.066-106.630 113.486 -49.879 158.896 -75.950 99.078 -21.872 106.080 -78.151 111.475-139.191 142.799 -89.446 119.814 105.478 149.168 167.562 96.055 -53.738 99.333-136.981 94.468 168.028 101.822 -26.336 127.000 -78.283 137.056 -80.823 93.177 61.568 136.751-104.137 90.469 47.305 121.885-140.071 91.726 60.583 126.224-141.021 112.343-118.682 111.368-117.942 108.743 168.745 142.143 -33.211 141.999 -83.691 165.897 176.999 99.933 6.077 111.188 -93.044 110.345-172.996 156.869-117.468 97.114 43.888 153.363 111.501 95.649 105.937 139.226-108.252 94.791 -49.114 148.096 -27.335 95.153 -59.022 138.561-114.961 93.091-117.787 0.000 0.000 125.492-111.537 163.612 7.854 137.285-135.516 162.029 -94.699 93.867 65.022 147.312-173.553 91.006 121.839 111.213 -75.982 93.026 -43.566 122.419-102.986 93.393 -47.038 135.600-120.739 92.215 -40.796 109.170 -88.559 95.103 -53.393 144.109-108.848 96.260 -32.007 95.951-112.922 98.412 -37.752 110.475 -74.698 99.180 -25.658 147.187-143.008 107.484 -29.381 134.474 37.381 100.631 -38.426 129.419 -76.632 98.948 163.378 146.678 -20.082 94.146 113.911 117.707-129.374 141.071-141.804 171.471-157.163 120.178-101.231 133.284 -82.728 91.672 47.922 121.553 -62.574 92.599 45.761 128.599 -75.925 91.850 44.046 142.064-101.207 91.467 47.585 132.133 -54.659 91.552 44.433 131.837-113.309 97.555 -91.700 134.206-140.948 125.099-164.018 150.290 -15.910 92.936 0.000 129.412 -76.384 # 188 total E -9.00546E+01 rmsd from N 0.000 %NC 0.00 92.749 141.883 134.863 -76.691 95.117 49.273 136.950 79.579 94.759 110.490 145.921 -22.901 93.361 -58.657 129.737 -77.362 98.061 98.609 93.928 -68.502 136.056 125.798 138.311 -3.943 93.574 76.303 90.290 -88.692 97.170 -9.996 144.243 -83.676 114.369-108.569 145.082-100.100 91.939 113.803 110.170 -12.871 107.381-136.464 143.543 -46.909 95.300 47.974 135.418-161.237 117.170-161.073 135.400-156.959 146.610-128.596 176.476-164.423 88.468 64.400 132.582-146.862 89.809 50.154 130.541 -79.256 90.905 49.939 129.108 -94.451 93.311-111.175 134.840 -99.380 99.280 110.075 143.274-144.331 122.376-102.772 150.768 -20.578 123.801 176.112 0.000 0.000 138.451 -75.529 102.061 -77.759 97.299 31.706 137.837 -67.832 99.321 50.844 147.279-159.988 89.795 -57.182 135.822 137.623 139.684 126.132 152.784 160.935 109.542 -75.741 114.688-125.372 93.736 76.083 143.885-129.888 97.127 32.502 152.140 -29.247 125.964 -43.838 115.600-115.646 122.285 -96.593 120.999 -83.317 100.498 -24.323 134.892-108.150 105.792-179.495 115.194 -75.444 142.299 174.078 148.367 -68.025 85.976 62.756 136.078-152.998 90.239 52.852 113.084 -44.565 91.631 43.078 139.565 -33.984 93.204 38.718 130.387 -77.307 96.615 33.916 102.338 -92.821 126.972 163.796 135.239 -84.732 96.971 116.552 141.217-157.595 94.406 -40.230 125.269 -23.922 93.089 -55.691 138.338 -41.710 92.057 -41.924 151.513 -36.898 98.428 73.746 150.879 -20.867 121.414 0.000 145.797 -88.713 # 189 total E -8.96188E+01 rmsd from N 0.000 %NC 0.00 92.545 -18.681 119.535 -52.654 121.325 -14.638 145.076 -58.455 110.706 -51.457 141.983-140.120 98.773-168.420 129.076 -75.837 139.547 172.893 159.037 141.050 109.215 24.972 121.395-157.197 100.905-121.895 117.274 -24.433 134.237 -59.209 165.527-161.809 154.107 140.651 176.461 178.815 92.721 70.941 135.053 -13.515 129.332 130.899 143.129-109.213 117.606 106.314 128.429-140.459 111.336-104.050 147.782 -13.548 94.548 47.680 142.702 -38.601 91.965 45.367 111.744 -88.017 90.267 52.647 139.443-103.922 90.737 44.301 124.278-102.992 90.626 53.841 137.995-102.849 91.711 45.580 96.587 -62.762 100.079-120.012 106.233 -74.118 110.308 -6.402 0.000 0.000 95.346 -58.796 133.332 -41.165 96.530 -42.352 173.078-163.877 94.356 76.384 105.930-121.126 147.663 25.964 172.682 -89.761 107.708-128.009 163.025 178.307 97.842 52.593 137.857-125.922 113.623-110.548 150.275-132.198 116.694 59.232 161.522-161.369 99.361-148.149 88.445 -89.842 93.204 51.373 115.312 -77.070 92.879 41.761 123.340 119.176 92.005 61.593 127.661 13.001 92.273 28.958 128.080 -75.907 95.700-119.094 136.970-140.055 93.055 -28.135 141.357 -26.067 101.877 133.878 144.445 -30.375 95.366-117.925 128.217 -75.936 98.242-120.631 123.521-144.019 91.890 47.220 131.203 -77.681 92.835 49.924 144.039-143.269 90.824 50.254 128.599 -20.942 94.249-154.218 105.954 -51.904 92.336 -15.352 147.619-154.736 122.157-127.605 162.225-175.907 92.975 0.000 129.363 -76.632 # 190 total E -8.88618E+01 rmsd from N 0.000 %NC 0.00 124.661 113.765 136.839 -19.035 102.092 49.245 147.428 36.344 95.559 36.849 107.915 -79.755 95.596-118.714 129.754 -75.843 117.903-131.306 150.004 179.094 99.500 -51.688 66.365 -75.189 95.656 -29.408 124.210 -42.013 114.011-111.217 125.898 -65.526 84.908 -67.777 125.327 -89.127 93.444 115.429 117.698 0.037 135.788 26.631 173.740 5.654 91.749 60.643 103.723 -97.202 95.615 -7.772 105.058 -87.636 116.918 42.583 151.178-104.197 128.637 -96.015 158.147 -34.599 122.164 -54.496 155.470-119.465 131.909-173.168 149.360 48.164 102.396-153.326 116.785 -69.392 108.875 30.412 127.681 83.993 96.132 49.277 147.039-140.400 94.905 35.910 0.000 0.000 97.730 168.854 134.052 -13.718 130.047 -71.294 159.082-150.850 91.665 77.492 118.581-139.861 95.182 38.960 111.641 -77.817 92.734 52.299 163.460-176.798 91.147 44.935 115.959 148.030 94.884 142.247 109.130 -84.180 95.620 -76.741 141.491 -96.688 119.242 23.582 113.678-118.227 93.845 -64.433 133.876-136.544 94.784 -17.858 133.205-101.028 100.009 103.255 115.795 -75.225 124.566-131.423 139.184 -85.175 100.090 111.982 148.432-157.325 122.664 91.169 141.741-115.809 131.653-144.775 158.512-126.992 92.282 56.475 135.891-100.528 94.103 83.442 114.852-105.447 89.690 -77.526 129.165 -76.338 93.376 -49.224 145.095-128.136 90.707 -40.898 131.154 -24.338 103.890-131.322 156.666 149.635 142.122-148.194 110.729 -94.237 119.421 -82.251 159.351-151.421 122.061 0.000 146.915 -79.035 # 191 total E -8.87436E+01 rmsd from N 0.000 %NC 0.00 121.315-159.183 151.768-105.077 131.932 63.997 147.532 142.608 107.677 -28.963 143.152 -30.235 96.613-116.469 128.054 -75.815 107.612 -11.516 149.593-172.459 101.853 72.165 130.886 175.904 96.717 -2.378 117.917 -67.073 115.196 110.151 134.480 -77.568 135.219 -80.876 145.862-101.867 87.775 53.938 103.020 -90.657 104.497 24.937 147.980-108.127 97.927 45.622 96.422-101.462 92.145 57.789 134.048-113.525 91.963-113.512 112.075-115.164 96.078 -37.895 151.854 -30.894 93.550 -54.822 135.180 -82.763 92.213 -36.216 153.772-170.405 99.913-144.917 143.390-132.315 134.404 176.424 134.290 -24.578 108.406-110.250 111.169 -78.170 95.983 135.241 0.000 0.000 101.147 -8.898 149.333 0.734 98.252-108.667 145.830 -79.261 91.607 55.209 104.655 168.280 97.248-171.227 111.732 -77.712 123.717-172.006 154.777-167.086 98.949 -43.994 136.980-116.703 94.533 -39.251 108.936 -87.170 103.664-173.664 156.132-136.636 126.421 24.978 110.944-110.533 97.836 -30.149 111.374 -81.192 120.177-135.579 138.201 -11.750 96.914 80.528 114.394 -75.445 95.639 -83.821 127.530 -75.439 96.290 143.900 149.850-152.882 99.434-151.379 114.408 -47.143 111.406-120.162 166.066 177.412 135.341 48.755 140.245-107.886 116.497-106.598 144.805-157.156 92.146 50.606 130.213 -76.601 91.133 45.151 141.638-110.530 89.827 50.717 134.861 -58.084 90.424 53.016 141.690-141.447 89.540 41.019 150.841 -38.926 96.101 95.039 103.717 -79.973 122.590 0.000 145.018 -90.544 # 192 total E -8.80372E+01 rmsd from N 0.000 %NC 0.00 93.267 168.847 140.375-100.710 95.039 52.861 157.733-168.947 93.225 86.996 106.966 -80.076 93.637 -26.024 129.863 -77.530 108.728-149.254 134.129-101.417 99.332 101.878 117.614 153.024 92.329 -48.072 105.895 -63.499 96.984 -72.745 127.264 -65.439 113.920 156.951 153.441 -11.123 119.771-147.971 138.506-167.655 123.185-166.707 165.886-169.048 127.334 -4.888 117.885-120.423 127.829 -81.541 109.514 -83.080 92.665 59.147 138.330 -36.718 93.706 38.244 156.481 -35.469 92.158 54.923 155.333 -40.959 92.191 40.170 130.833 -90.512 93.318-125.689 128.765 -71.264 96.461 -78.422 121.053 138.188 95.942 123.255 141.194 10.675 91.840 -37.729 0.000 0.000 113.712-135.642 141.995 97.912 95.076 -39.297 128.180 -98.963 90.511 -49.736 122.345-138.493 90.674 -42.409 112.127 -65.845 93.286 -52.079 148.236 -41.019 92.781 -39.495 138.383-147.296 95.929 118.701 110.497 -82.575 94.623 158.052 147.171 -23.620 106.418 152.016 92.787 -99.598 96.767 -25.052 138.255-115.199 103.289-110.603 107.487 -81.833 93.358 164.176 132.016 -13.283 99.484 -89.464 127.309 -75.480 92.602 19.752 103.109 -77.185 107.997-173.323 142.562 -28.116 104.538 22.956 133.710-102.384 93.085-101.999 126.151 -76.025 85.517 -66.716 111.003 -50.486 91.323 -43.930 129.896 -76.786 93.206 -47.105 133.893 -97.032 93.650 103.085 129.533 -45.738 116.617-125.786 143.238-119.642 97.667 85.498 150.207 -15.577 125.051 148.438 102.090 -77.548 121.518 0.000 149.030 -78.601 # 193 total E -8.78323E+01 rmsd from N 0.000 %NC 0.00 93.230-132.777 124.092 -56.877 93.556 54.885 139.647-100.060 106.628 -71.055 141.172 -31.344 129.178-143.563 137.198 -76.197 121.042 167.827 153.106 4.473 120.455 -60.621 129.146-148.022 98.043 138.078 107.306 -49.589 133.049 -18.723 135.160 -96.803 103.606 -25.204 122.368 -78.561 96.518 -75.049 128.727 -29.986 94.382 80.512 126.983 137.168 103.851 -89.058 90.404 -89.710 139.481 -5.149 116.845 -91.659 142.564-125.919 172.608-169.526 120.004 -96.339 160.778 -19.732 112.549 110.486 142.740 170.250 126.593 13.931 154.523 -96.212 94.541 -52.321 120.548 -64.456 96.854 -36.375 109.577 -83.656 93.777 -44.456 112.200 -75.507 91.228 -46.902 0.000 0.000 93.860 -59.365 86.504 -70.771 85.585 122.939 153.462 -12.591 90.916-173.540 107.785 -35.707 89.779 57.360 136.905-142.088 114.387-154.739 139.556-171.781 95.638 68.853 135.706 -88.128 109.965-148.800 143.868 -37.292 119.530 164.851 151.515 -21.425 108.240-148.205 121.653-135.004 114.187 -3.405 118.700 -80.193 92.667 72.559 134.856-109.960 94.309 12.306 111.529 -74.975 100.425-125.193 130.264 -76.500 92.946-157.728 133.843-131.012 131.695 -21.592 176.488 3.346 130.034 146.399 176.493-146.965 94.292 -32.113 128.396 -76.136 115.120-176.125 146.341 145.615 133.064-114.848 148.514 -89.899 134.177 -76.350 154.056-163.537 133.382 -77.065 139.659 -29.616 136.699-167.050 176.431-164.922 97.771 38.377 104.737 -85.386 114.433 69.406 141.041 -35.019 123.167 0.000 146.369 -93.394 # 194 total E -8.71578E+01 rmsd from N 0.000 %NC 0.00 122.650 -91.539 149.930 -49.666 124.071 23.997 145.122 -74.496 96.819 -67.445 103.618 -79.192 91.843 -5.547 127.576 -74.973 111.342-123.056 107.654 -27.543 107.685 0.818 154.485 5.076 100.380 -63.061 140.948-138.789 105.362 -43.926 129.240 -75.600 92.485 108.203 114.540 -52.144 97.010 46.657 98.699 -95.505 104.252 53.135 153.177-108.491 100.673 10.577 95.594-106.942 100.892 107.424 115.436 -86.776 128.905 -89.591 143.796-116.880 92.739 58.991 137.956-141.391 92.955 39.502 119.284 -98.146 95.293 86.034 129.824 -94.207 89.657 -73.936 135.691 -62.435 95.633 -54.687 109.932-144.314 90.492 -53.877 107.384 -81.051 94.482-136.835 0.000 0.000 100.890 -75.493 94.920 -76.596 90.898 28.095 143.191 -72.165 118.158 -84.518 139.092-127.846 99.462 -6.155 112.755 -73.769 106.955 -68.493 153.633 -30.799 94.752 -3.253 136.700-101.893 114.699 114.517 153.131 -14.217 94.518 67.673 119.748 -90.442 130.089-140.182 111.874-109.774 115.731 28.207 118.325 -79.918 91.772 51.873 104.598 7.334 89.334 57.123 121.705 -76.701 91.002 44.533 128.578 -76.587 89.832-149.156 136.029-132.916 139.111-128.579 157.161 155.966 125.893 -96.460 126.958-103.400 93.543 48.409 128.467 -76.214 96.876 118.006 115.215-107.710 91.714 -56.418 128.985 -76.250 94.026 -35.989 144.854-156.496 92.697 -60.024 122.313 4.019 96.472 -26.862 161.095 -13.502 98.526 121.027 148.667-142.568 92.692 105.294 141.733-125.423 92.561 0.000 128.764 -76.436 # 195 total E -8.66519E+01 rmsd from N 0.000 %NC 0.00 93.483 -93.928 132.376 -91.064 100.617 -37.465 148.524-126.653 96.762 -66.361 103.333 -78.621 103.608-150.071 150.693 -81.212 124.407-106.775 137.922-127.942 90.250 66.466 131.970 11.580 89.333 40.222 102.859 -50.877 96.033-135.388 110.715 -51.779 91.168 -41.092 140.385 -42.158 104.802 -23.663 154.046-177.383 106.887 -25.468 144.869-166.433 105.017 -33.118 89.902-107.242 103.277-162.273 147.463-147.807 142.543-137.696 176.433 11.712 95.429 63.355 155.053 -21.912 98.098-153.807 122.109 -77.351 141.976-155.829 149.084 -18.932 94.801 38.709 117.844 -81.322 116.515 -49.723 112.622 -93.374 120.759-109.792 106.852 -80.278 136.083 -33.475 0.000 0.000 137.498 7.517 174.200 148.585 114.372 -17.078 142.588-101.992 96.591 -57.435 123.921-121.532 95.028 133.221 117.379 -76.237 129.546-117.586 150.767-115.216 97.411 151.120 137.243-115.687 109.422-127.596 143.144-113.969 93.788 -37.113 144.181-113.067 112.008 159.952 126.431-140.353 98.271 0.071 110.144 -79.283 96.277 142.431 103.714 -79.912 98.439 42.089 136.218 -14.525 92.288 48.976 129.002 -76.172 93.684 69.199 105.248 -83.460 89.377 -95.909 119.349 -49.868 88.580 -43.270 137.451 -50.680 92.536 -57.206 127.598 -74.002 90.665 102.761 93.131 -96.887 105.932 41.684 138.404-105.732 91.908 47.729 133.833 -77.344 91.963 70.578 130.712 -28.702 91.500-148.111 141.612-139.903 98.121 49.524 151.392 -30.562 96.264 75.219 140.916 -94.601 92.497 0.000 128.973 -76.718 # 196 total E -8.56080E+01 rmsd from N 0.000 %NC 0.00 121.807 -71.596 149.317 -36.530 128.729 52.404 139.700 -75.054 126.232-145.524 111.366 -81.102 95.580 -57.269 129.138 -76.927 101.439-161.149 101.381 -71.696 142.462-166.231 162.968 139.938 95.074 129.354 92.479 -73.366 133.824 94.881 154.187 -47.848 89.340 -71.883 157.346-165.420 87.438-134.746 106.880 160.694 111.161 67.162 134.750 176.500 113.835 -22.398 115.465-125.856 95.559 112.058 134.964-134.116 115.068 -82.285 128.762 -85.394 118.829-170.090 107.770 -88.477 94.696 46.757 131.284-166.386 93.763 91.211 135.787 -83.287 93.268 4.940 108.832 -37.994 107.322 -93.559 140.266 -65.193 98.323 -48.402 102.199 -82.721 98.921 103.639 0.000 0.000 138.650 91.921 176.317 145.756 137.128-133.215 147.566 -29.128 93.164 -10.463 127.126-156.084 112.495-119.122 115.924 -73.722 93.039 55.263 135.158 -90.256 94.325 52.001 139.176-147.674 97.081-172.590 104.916 -72.831 96.863-148.474 152.999-120.841 123.199 -86.426 115.817-119.609 90.868 58.473 112.872 -76.538 92.146 44.064 108.433 -76.020 91.302 53.227 115.048 -78.087 91.189 43.239 128.380 -76.478 94.675-176.302 144.482 -33.031 148.940-121.371 176.427-173.881 89.579 57.091 135.541 -98.653 91.014 45.985 125.696-101.352 90.972 50.539 126.601 -94.399 92.139-121.490 128.303 -75.773 102.623-162.905 160.514 -43.697 94.428 72.279 129.808 -52.040 94.867 -16.737 135.561-109.773 116.820 51.543 112.794 -88.794 125.954 1.329 149.716 -19.862 92.494 0.000 128.820 -76.373 # 197 total E -8.53154E+01 rmsd from N 0.000 %NC 0.00 92.556 126.985 123.208 -54.548 134.335-178.460 130.703 33.161 105.116 -72.786 146.040 -26.645 94.517 36.161 128.957 -76.204 114.094-112.477 83.176 -66.905 90.647 106.308 134.448 4.684 92.064 105.837 98.130 35.664 96.818 2.267 125.315 -85.255 98.125 -83.987 107.320 -60.997 96.955 -19.155 139.246-129.012 108.511 -45.518 114.368-126.993 98.026 -31.384 97.649 -97.780 96.853 -36.184 109.460 -81.100 102.813 -31.465 148.664-179.548 96.136 -44.319 154.356 -22.903 97.547 -30.706 134.912-140.041 97.490 -46.008 144.652 -93.838 95.320 -43.165 149.239-175.556 97.546 126.997 121.078 51.813 128.077 75.132 159.388-170.540 107.000 -52.402 0.000 0.000 91.591 -45.611 130.895 -47.831 95.790 177.752 131.172 -59.357 92.124 155.577 130.691 153.753 89.727 -63.197 115.657 -76.007 93.153 -28.135 144.744-174.835 98.084 129.285 129.642 -21.111 93.735 -17.409 153.446 -22.555 114.086-163.480 174.412-155.261 128.835 -98.625 118.177-119.754 118.314 125.528 115.670 -79.078 96.596 -22.542 141.785-163.328 103.456 -59.031 115.930 -73.698 112.138 13.727 129.400 -77.930 106.632 178.279 153.110-152.422 92.133 47.368 108.339-151.826 92.373 115.007 136.138-158.961 93.187 -13.891 132.771-104.032 95.213 -76.472 123.978 -46.458 92.558 -15.716 130.169 -76.381 98.800 121.064 121.924 139.404 92.287 54.032 121.969 -12.475 91.420 44.889 140.166 -48.000 98.838-107.592 145.111-123.724 121.569 -95.142 150.905 -17.468 125.280 0.000 146.555 -85.861 # 198 total E -8.46846E+01 rmsd from N 0.000 %NC 0.00 93.447 -98.227 130.769 -85.638 95.410 37.569 129.495 -56.692 98.630 65.467 146.112-162.448 96.386 -19.966 126.962 -74.481 113.981 113.185 151.689 -6.126 126.304 -80.004 122.299-138.256 89.606 61.729 115.731 -79.492 98.124 32.985 108.138-100.917 116.260 -27.996 117.978 -70.610 106.352-157.939 122.867 -35.294 140.501 176.601 153.394 160.314 109.877-175.568 116.850-129.754 111.334 35.109 157.953 -13.200 93.398 47.273 142.079 -42.219 92.279 44.335 108.737 -87.727 91.198 51.682 158.033-166.855 89.820 48.348 151.929 175.889 91.460 42.340 137.709-101.174 99.497 -92.536 128.555 -79.339 121.601 71.966 111.749 -82.228 129.744 69.565 0.000 0.000 139.496 171.478 176.432 147.709 121.561 -98.795 129.132 -79.137 93.720 34.118 120.667-154.110 109.730-140.001 112.687 -75.756 131.173 141.122 160.223-157.838 111.628 -92.549 139.819 -47.799 96.186 53.675 154.513 -18.124 107.909 -84.787 152.871-108.527 108.898-163.258 88.579 -97.475 111.952 15.847 131.604-104.556 94.092 66.628 114.911-100.224 94.375 34.876 114.642 -75.846 96.045-145.941 127.957 -74.821 97.526 52.531 103.924 -82.639 94.302 -83.891 103.482 -63.889 91.031 -43.360 145.442 -34.021 92.879 -51.513 128.932 -75.922 91.493 101.106 118.585-115.130 125.278 134.767 133.218 -92.918 118.379 125.974 158.918-166.571 114.058 -58.671 130.660 -14.950 95.633 48.501 140.683 -39.197 120.270-118.087 158.824 -20.970 126.401 -81.063 167.742-166.247 125.769 0.000 145.640 -89.144 # 199 total E -8.30104E+01 rmsd from N 0.000 %NC 0.00 93.148-127.640 119.515 -47.520 131.515 37.063 137.694 -64.141 111.252 -31.535 170.498-159.149 95.280 -49.811 131.476 -78.098 99.765 101.413 103.746 -75.958 154.587-130.565 96.835 -93.307 95.104 82.919 106.471 -27.313 100.910-157.142 135.405 -73.184 112.581 67.977 139.921-172.772 110.177-175.112 84.265 -85.012 129.580-145.936 174.801-166.634 100.632-128.487 96.072 -86.788 93.222 108.771 145.398 -14.708 135.163 133.878 176.416 4.489 139.107 58.949 168.993 -9.236 115.396 -7.906 151.107-113.844 99.683-127.695 112.535 -90.977 129.885 -60.699 139.711 136.718 92.833 58.164 122.303 139.948 92.298 25.844 142.758-130.500 103.398 -91.134 0.000 0.000 134.458 120.071 141.649 -4.597 113.931 164.683 135.304 -64.368 94.457 -47.582 130.963 -99.807 95.847 117.992 117.891 159.074 111.524 47.945 127.236-123.478 98.537 -74.136 127.197-141.748 103.578-155.288 150.397-146.129 133.011 12.092 170.575-172.847 96.549 52.440 129.847-151.537 94.079 47.242 124.402-176.360 92.579 51.396 129.822 -63.745 94.800-115.424 111.189 -74.967 93.099-128.081 127.447 -74.405 124.665 146.402 150.105 -14.806 94.467 -26.146 133.527 176.657 92.102 -74.388 132.549 -45.022 90.980 -2.795 160.625 -98.064 103.755 -96.893 125.324 -53.763 100.573 58.386 131.646 -77.617 94.834 -90.694 141.790-126.596 89.950 -68.510 135.764 -39.709 90.065 -57.522 140.096-135.839 90.825 -36.241 149.012 -42.114 106.399-174.930 151.197-134.696 92.766 0.000 129.676 -75.903 # 200 total E -7.57221E+01 rmsd from N 0.000 %NC 0.00 93.282 -80.044 128.265 -77.612 112.833-150.995 134.506 -57.080 94.323 59.547 144.176-132.642 92.726 23.156 127.932 -75.206 109.618-128.048 133.142 -7.096 97.797 -59.582 114.604 -33.256 94.102 -36.699 121.990 -50.355 93.888 -84.076 113.968 -66.402 91.748 175.681 135.231 -30.268 88.067 -76.710 125.885-102.025 94.568 -74.146 120.977-129.092 94.138 132.433 125.710-149.332 95.054 50.219 106.376 -90.446 91.837 45.787 141.834-102.651 91.813 48.174 134.830-133.010 91.829 48.323 124.892-121.913 95.874-124.422 119.818 -77.958 119.848-168.125 145.457 -10.209 110.224-141.756 144.035 163.120 132.187 133.397 153.628 -2.217 108.024-117.441 0.000 0.000 131.848 -87.517 171.388 153.367 96.119 -59.250 118.770 -90.112 92.148-150.896 76.286 -48.773 127.562 -86.565 128.157 -80.172 93.146 61.497 142.166 173.924 92.747 44.579 141.666-125.457 95.927-118.383 143.340-126.700 131.561 179.437 172.574-174.966 105.840 -9.392 93.433-102.288 98.377 -64.270 114.364 -77.248 92.736 -18.517 131.880 -96.457 111.638 169.152 117.615 -74.225 114.391-122.391 136.517 -80.577 97.278 138.617 142.300 4.228 105.269 154.605 123.874 -84.681 138.115 2.796 175.711-173.738 139.632 -95.274 156.747 -92.670 123.283 -85.551 137.467-167.130 94.154 63.480 129.410 -76.325 98.394-110.976 133.125 -93.128 97.582-155.063 138.682 -86.230 109.805 -19.953 147.297 -92.649 97.296 -67.866 102.811 -85.727 96.237 165.600 146.590 -23.467 125.096 0.000 145.028 -87.429