X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Flocal%2Foutputs%2F1l2y_csa.CSA.bank;fp=examples%2Funres%2FCSA%2FGAB%2Flocal%2Foutputs%2F1l2y_csa.CSA.bank;h=832e2029806e5b5cb12472ec56efeb718df0d0d9;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/CSA/GAB/local/outputs/1l2y_csa.CSA.bank b/examples/unres/CSA/GAB/local/outputs/1l2y_csa.CSA.bank new file mode 100644 index 0000000..832e202 --- /dev/null +++ b/examples/unres/CSA/GAB/local/outputs/1l2y_csa.CSA.bank @@ -0,0 +1,4202 @@ + jlee = 1 nbank = 200 nstep = 22200 6852472 2 60.01936 + nglob_csa = 27 eglob_csa = -9.08499E+01 + # 1 total E -8.88908E+01 rmsd from N 2.795 %NC 0.53 1 + 115.768 172.315 151.291 -12.712 + 91.603 75.685 137.137 -43.764 + 92.029 43.533 124.242 122.439 + 90.832 47.844 144.974 -95.066 + 89.706 43.232 124.446-108.372 + 90.841 50.498 156.489 -12.667 + 90.706 44.321 136.343-172.634 + 91.742 74.164 106.658 -98.353 + 90.508 -63.933 126.991-143.547 + 106.133 -69.120 180.000 180.000 + 99.971 -27.125 180.000 180.000 + 93.170 103.167 135.559-161.108 + 93.864 91.396 114.646 -76.662 + 126.785 -85.975 122.006 -77.634 + 95.420 90.180 180.000 180.000 + 130.624 -75.978 140.093-133.081 + 120.745-116.563 109.149-114.486 + 120.232-136.366 109.631-108.771 + 117.983-118.752 121.879-126.423 + 121.890 0.000 121.574 -81.058 + # 2 total E -8.71355E+01 rmsd from N 2.050 %NC 0.67 1 + 112.721 156.573 149.244 -38.258 + 91.965 86.604 137.045 -17.135 + 90.623 45.176 104.097 -84.152 + 89.627 43.661 150.169 -99.480 + 90.765 44.933 120.817-130.001 + 91.182 44.624 138.424 83.478 + 91.225 44.616 129.650-138.227 + 93.010 75.293 139.553-139.079 + 90.974 -70.947 148.668 -27.939 + 105.471 -53.211 180.000 180.000 + 111.954 -66.042 180.000 180.000 + 93.064 72.786 137.286-165.242 + 92.787 112.889 114.379 -76.891 + 122.190 -89.584 122.257-133.374 + 95.428 74.826 180.000 180.000 + 118.528 -76.099 135.004 -48.325 + 119.486-118.784 107.422-108.008 + 118.516-115.674 141.542-156.315 + 117.650-118.294 123.905-128.335 + 121.865 0.000 121.428 -81.089 + # 3 total E -8.73004E+01 rmsd from N 2.305 %NC 0.60 1 + 115.226 162.248 147.543 -19.764 + 91.547 83.456 141.007 -21.592 + 91.468 41.252 125.418 120.846 + 90.579 46.763 150.950 -93.366 + 90.764 44.731 120.420-127.322 + 91.187 48.261 146.660 93.022 + 91.189 40.531 137.923-126.292 + 93.321 70.186 136.211-135.361 + 92.029 -72.958 142.203-133.709 + 109.616 -44.845 180.000 180.000 + 114.941 -72.370 180.000 180.000 + 93.621 65.852 131.787-157.871 + 93.266 123.000 114.926 -76.945 + 117.862 -84.288 125.960-144.389 + 95.360 69.803 180.000 180.000 + 120.097 -82.505 127.409 -49.750 + 123.828-163.867 109.789-108.161 + 119.051-113.133 117.319-119.415 + 117.332-118.587 125.902-132.703 + 121.787 0.000 121.566 -80.883 + # 4 total E -8.74119E+01 rmsd from N 2.435 %NC 0.67 1 + 93.864 105.369 146.545 -10.888 + 91.488 74.417 135.261 -34.711 + 92.433 42.436 130.569 114.182 + 91.317 43.764 141.060 -92.894 + 89.945 45.441 116.678-115.218 + 90.704 48.649 162.492 -20.261 + 90.954 46.313 139.807 170.231 + 92.155 58.761 110.367-100.437 + 93.081 -69.242 114.651 -80.088 + 121.952 -41.439 180.000 180.000 + 125.595 -61.170 180.000 180.000 + 93.454 61.542 99.849 -94.110 + 92.920 130.671 123.398 132.742 + 116.685 -69.868 133.011-146.164 + 94.559 67.920 180.000 180.000 + 122.531 -88.878 128.036-116.607 + 120.299-110.894 113.872-118.509 + 118.479-138.652 112.856-113.413 + 116.825-118.588 129.450-138.475 + 121.776 0.000 121.625 -80.807 + # 5 total E -8.97937E+01 rmsd from N 2.814 %NC 0.53 1 + 93.867 102.473 146.293 -10.912 + 91.421 71.386 137.710 -40.273 + 91.686 44.055 125.036 122.161 + 90.689 47.547 143.621 -94.312 + 89.668 43.741 122.551-113.367 + 90.803 50.133 156.631 -11.563 + 90.692 44.142 136.169-173.569 + 91.770 74.156 107.408 -98.423 + 90.509 -63.957 127.145-143.398 + 106.195 -69.198 180.000 180.000 + 99.972 -27.088 180.000 180.000 + 93.189 103.186 135.522-161.023 + 93.895 91.175 114.646 -76.664 + 127.215 -85.718 122.153 -77.614 + 95.449 89.869 180.000 180.000 + 130.393 -75.995 140.292-132.793 + 120.780-116.491 109.286-114.678 + 120.210-136.549 109.523-108.614 + 117.930-118.753 122.233-127.008 + 121.891 0.000 121.579 -81.051 + # 6 total E -8.82537E+01 rmsd from N 2.550 %NC 0.47 1 + 93.868 105.617 146.422 -10.308 + 91.454 69.980 142.627 -50.452 + 91.367 41.059 80.221 -90.857 + 91.822 52.194 147.553 -94.951 + 90.089 40.856 123.711-121.459 + 91.009 59.712 132.023 -91.355 + 89.884 39.544 130.367-171.710 + 92.168 68.526 103.707-100.802 + 91.185 -64.594 138.654-138.750 + 108.493 -66.157 180.000 180.000 + 100.020 -28.671 180.000 180.000 + 92.893 104.802 143.373-172.879 + 92.644 101.412 114.372 -76.679 + 121.669 -87.883 118.033 -84.286 + 95.675 81.950 180.000 180.000 + 132.673 -79.313 125.037-117.097 + 119.351-106.213 119.766-127.946 + 119.115-136.911 106.745-106.375 + 117.966-118.762 121.855-125.888 + 121.900 0.000 121.570 -81.078 + # 7 total E -8.78790E+01 rmsd from N 3.071 %NC 0.53 1 + 93.865 111.802 146.801 -10.696 + 91.500 76.363 131.419 -34.843 + 92.708 37.571 134.237 119.423 + 92.068 51.007 141.590 -89.508 + 90.207 39.605 119.479-122.656 + 90.938 56.434 140.103 -37.845 + 90.527 42.854 141.060 174.383 + 91.300 70.182 94.248 -76.590 + 91.835 -64.276 134.422-129.015 + 117.373 -47.469 180.000 180.000 + 118.430 -60.038 180.000 180.000 + 93.613 71.840 101.005 -64.828 + 93.880 116.126 114.228 -76.286 + 96.961 -69.033 116.714 -77.655 + 94.778 93.068 180.000 180.000 + 130.278 -64.365 137.258-155.363 + 119.815-113.866 108.069-114.141 + 121.228-138.545 110.316-108.544 + 117.464-118.790 124.811-131.791 + 121.870 0.000 121.627 -80.991 + # 8 total E -8.71645E+01 rmsd from N 2.629 %NC 0.53 1 + 119.113-120.447 110.983 -83.073 + 91.640 73.189 139.669 -37.552 + 91.482 44.137 123.653 120.999 + 90.280 47.486 143.693 -93.141 + 89.804 44.557 119.745-123.004 + 90.855 45.746 151.488 -1.903 + 91.344 43.339 135.204-164.988 + 92.945 65.242 138.109-132.762 + 91.837 -62.009 120.586 -85.638 + 116.785 -73.549 180.000 180.000 + 118.103 -46.859 180.000 180.000 + 92.681 73.533 135.895-162.775 + 92.319 99.138 112.483 -76.287 + 127.450 -76.369 119.524 -86.360 + 95.474 76.440 180.000 180.000 + 127.412 -78.648 152.347-133.349 + 120.742-115.091 110.227-115.549 + 119.916-136.108 111.483-111.131 + 118.112-118.701 121.049-124.595 + 121.890 0.000 121.554 -81.067 + # 9 total E -8.72422E+01 rmsd from N 2.778 %NC 0.60 1 + 93.713 32.975 107.673 -80.054 + 91.579 65.761 135.852 -54.504 + 91.502 60.040 124.715 118.215 + 89.795 49.945 143.634 -98.221 + 89.690 43.653 119.607-114.058 + 91.266 51.270 161.976 0.300 + 90.759 39.844 130.405-171.712 + 92.230 73.457 103.508 -96.585 + 91.005 -61.698 130.666-136.087 + 107.785 -68.875 180.000 180.000 + 101.312 -27.886 180.000 180.000 + 93.244 99.394 133.348-158.238 + 93.866 108.564 114.054 -78.979 + 131.184 -96.505 134.216-155.881 + 95.310 81.308 180.000 180.000 + 125.577 -66.608 132.847 -80.891 + 119.508-111.877 110.347-116.208 + 120.026-135.990 111.561-111.057 + 118.223-118.673 120.375-124.465 + 121.889 0.000 121.542 -81.072 + # 10 total E -8.73736E+01 rmsd from N 2.476 %NC 0.67 1 + 93.865 104.771 146.509 -10.542 + 91.399 72.029 132.974 -42.464 + 92.273 41.387 133.115 117.505 + 91.160 49.496 142.351 -91.614 + 89.904 40.469 120.958-120.529 + 90.851 57.720 155.817 -76.931 + 90.378 37.797 137.386 170.213 + 91.673 62.544 102.718 -99.495 + 92.390 -67.769 132.456-122.168 + 117.625 -50.916 180.000 180.000 + 122.359 -53.940 180.000 180.000 + 92.698 73.823 99.046 -94.085 + 92.998 128.461 113.408 -77.588 + 118.136 -75.855 137.377-156.502 + 95.419 71.536 180.000 180.000 + 127.696 -86.672 125.247-117.321 + 119.661-111.202 116.719-122.848 + 119.283-138.245 108.548-107.721 + 117.155-118.734 127.518-135.653 + 121.823 0.000 121.638 -80.891 + # 11 total E -8.85006E+01 rmsd from N 2.828 %NC 0.53 1 + 93.903 117.894 144.755 -11.791 + 91.215 87.753 131.099 1.710 + 90.424 49.507 138.584 109.707 + 89.624 46.778 145.240 -91.852 + 89.166 47.121 126.823-143.870 + 89.461 49.307 145.598 -8.364 + 90.224 45.610 140.950-157.756 + 91.719 76.735 133.397-132.657 + 90.394 -58.109 131.809-138.961 + 106.343 -71.030 180.000 180.000 + 100.763 -28.882 180.000 180.000 + 92.952 102.993 138.032-165.521 + 94.109 94.321 113.166 -77.074 + 126.150 -80.786 127.119 -78.615 + 96.407 81.880 180.000 180.000 + 128.605 -83.272 147.264 -31.768 + 119.999-113.165 111.159-112.641 + 119.788-134.854 110.195-110.401 + 118.302-118.700 119.517-123.749 + 121.892 0.000 121.546 -81.076 + # 12 total E -8.95299E+01 rmsd from N 2.632 %NC 0.47 1 + 93.854 101.631 146.893 -11.565 + 91.444 73.816 139.537 -35.321 + 91.114 45.572 123.015 119.623 + 90.110 45.722 142.731 -91.509 + 89.684 44.912 118.287-122.995 + 90.421 47.366 157.451 15.125 + 90.745 46.436 135.143-174.967 + 92.016 75.854 136.438-128.587 + 90.312 -64.412 130.091-138.187 + 103.955 -68.169 180.000 180.000 + 99.064 -29.393 180.000 180.000 + 93.109 104.007 137.169-163.987 + 93.992 96.043 114.374 -76.820 + 124.195 -91.375 118.815 -77.649 + 94.709 84.434 180.000 180.000 + 131.799 -64.179 137.240-106.969 + 120.744-134.856 105.423-108.793 + 118.816-113.823 109.016-108.963 + 116.912-118.493 130.887-141.797 + 121.743 0.000 121.592 -80.754 + # 13 total E -8.72895E+01 rmsd from N 3.109 %NC 0.53 1 + 93.710 36.217 108.216 -80.416 + 91.623 72.106 135.647 -42.876 + 91.950 43.375 128.171 121.476 + 91.092 49.418 143.365 -94.024 + 89.754 41.307 126.303-104.326 + 90.885 52.944 152.388 -26.350 + 90.677 41.165 134.945 177.937 + 91.718 69.752 102.841 -96.175 + 91.774 -65.403 132.855-125.215 + 115.944 -46.152 180.000 180.000 + 119.101 -58.857 180.000 180.000 + 93.550 71.945 104.031 -75.455 + 93.052 116.761 126.421 124.013 + 110.285 -65.697 126.905-134.814 + 94.128 79.739 180.000 180.000 + 125.780 -66.864 140.125-141.905 + 120.865-112.199 109.253-114.434 + 120.244-138.087 111.091-110.305 + 117.429-118.759 124.553-130.892 + 121.865 0.000 121.617 -80.987 + # 14 total E -8.70455E+01 rmsd from N 2.434 %NC 0.60 1 + 93.799 92.798 147.381 -15.500 + 91.404 72.528 144.463 -42.651 + 89.867 54.733 119.332 121.286 + 88.008 49.316 141.995 -92.655 + 88.654 48.901 120.830-128.232 + 89.295 47.263 150.920 9.735 + 90.333 46.858 137.871-166.722 + 92.014 78.863 134.376-132.728 + 90.065 -61.980 134.360-131.165 + 102.971 -68.694 180.000 180.000 + 98.444 -28.464 180.000 180.000 + 93.370 105.551 136.697-163.290 + 94.326 104.785 115.697 -76.584 + 118.177 -90.891 119.856 -75.154 + 95.114 80.275 180.000 180.000 + 131.514 -71.801 130.377 -93.173 + 119.097-105.135 116.093-122.514 + 118.389-137.166 108.826-108.892 + 117.968-118.585 122.395-130.669 + 121.998 0.000 121.652 -80.926 + # 15 total E -8.71517E+01 rmsd from N 3.066 %NC 0.53 1 + 119.137-116.821 110.327 -82.747 + 91.655 71.546 136.587 -39.066 + 91.810 43.521 128.929 120.974 + 90.997 48.619 143.323 -94.130 + 89.585 42.067 126.287-103.799 + 90.534 53.752 153.955 -25.158 + 90.468 42.207 134.257 172.967 + 91.482 70.976 103.560 -98.851 + 91.358 -63.212 131.369-133.273 + 112.226 -57.591 180.000 180.000 + 111.244 -50.461 180.000 180.000 + 93.198 86.100 102.485 -64.866 + 94.098 103.132 112.695 -76.746 + 120.157 -68.774 122.374 -81.362 + 94.806 82.179 180.000 180.000 + 127.437 -66.142 142.348-141.887 + 120.283-112.914 107.885-112.764 + 120.688-138.047 109.973-108.612 + 117.510-118.764 124.447-131.445 + 121.865 0.000 121.614 -80.988 + # 16 total E -8.73418E+01 rmsd from N 2.273 %NC 0.60 1 + 93.860 106.003 146.683 -10.880 + 91.487 74.991 136.772 -33.708 + 92.184 43.247 126.779 114.928 + 90.992 43.835 142.353 -93.836 + 89.926 45.338 116.764-116.892 + 90.660 51.010 167.404 -0.377 + 90.681 45.250 142.571-177.158 + 91.810 73.278 108.694-102.591 + 90.885 -66.333 127.858-139.178 + 104.274 -65.026 180.000 180.000 + 99.785 -31.245 180.000 180.000 + 92.784 103.041 134.377-160.803 + 94.189 106.265 112.734 -77.254 + 124.294 -91.593 120.710 -77.918 + 94.942 84.717 180.000 180.000 + 131.002 -74.851 132.053-107.224 + 120.447-117.727 104.198-106.246 + 103.591-166.807 101.743-101.909 + 116.875-118.695 128.668-140.448 + 121.761 0.000 121.638 -80.770 + # 17 total E -8.77081E+01 rmsd from N 2.990 %NC 0.60 1 + 118.824-152.720 111.706 -77.839 + 91.565 89.555 137.509 -11.316 + 90.838 44.358 134.446 113.777 + 90.181 47.019 145.516 -91.527 + 89.461 45.733 123.758-134.712 + 89.576 50.129 146.196 -12.188 + 90.222 43.567 141.406-160.180 + 91.751 74.707 133.293-133.417 + 90.630 -56.030 133.581-133.731 + 109.239 -71.017 180.000 180.000 + 101.606 -26.778 180.000 180.000 + 92.796 99.797 139.435-167.271 + 92.753 104.067 114.616 -78.317 + 120.944 -84.630 128.824-151.790 + 95.550 77.778 180.000 180.000 + 128.330 -80.443 144.868 -39.475 + 119.662-111.520 113.271-116.190 + 119.568-134.728 110.171-110.504 + 118.326-118.701 119.232-123.549 + 121.891 0.000 121.546 -81.074 + # 18 total E -8.69406E+01 rmsd from N 3.471 %NC 0.53 1 + 115.521 161.570 145.999 -18.999 + 91.586 87.333 139.335 -13.742 + 91.379 41.770 143.237 111.091 + 90.872 48.520 142.071 -91.010 + 89.596 44.373 119.918-132.111 + 89.474 60.932 140.379 -34.032 + 89.886 42.393 141.124 170.398 + 91.121 73.360 92.131 -77.676 + 91.322 -53.762 135.621-134.008 + 111.676 -67.374 180.000 180.000 + 101.987 -31.360 180.000 180.000 + 92.647 100.802 109.610 -89.413 + 93.301 102.602 112.413 -79.468 + 119.735 -73.808 130.750-155.264 + 95.403 82.749 180.000 180.000 + 127.201 -71.535 151.289 -27.920 + 119.772-109.882 107.158-107.528 + 119.809-137.744 108.952-108.529 + 117.600-118.816 123.949-132.103 + 121.865 0.000 121.628 -80.978 + # 19 total E -8.72269E+01 rmsd from N 2.409 %NC 0.60 1 + 93.927 125.861 145.787 -3.611 + 91.415 84.956 137.637 -32.472 + 91.644 46.086 123.799 100.419 + 90.186 43.054 150.618 -91.191 + 90.460 46.100 117.842-122.562 + 91.391 46.372 160.245 98.423 + 91.078 44.975 140.140-105.724 + 92.367 65.467 137.633-134.313 + 91.603 -85.926 133.299-125.668 + 107.503 -67.218 180.000 180.000 + 99.312 -28.323 180.000 180.000 + 93.168 103.720 143.038-171.386 + 93.488 100.690 114.771 -76.686 + 126.774 -99.775 117.280 -80.479 + 94.216 82.962 180.000 180.000 + 131.467 -64.826 128.064 -88.929 + 115.964-110.699 79.738 -93.297 + 116.931-142.379 111.866-114.061 + 116.353-118.045 132.702-145.509 + 121.654 0.000 121.571 -80.643 + # 20 total E -8.74989E+01 rmsd from N 2.336 %NC 0.67 1 + 93.925 122.252 144.755 -7.759 + 91.412 84.610 130.854 -20.343 + 91.464 41.062 131.890 108.041 + 90.604 47.938 146.939 -90.683 + 90.417 41.843 120.541-128.724 + 91.306 51.612 125.131 -3.421 + 91.002 35.728 147.830-132.823 + 92.618 62.351 132.582-133.293 + 92.646 -58.528 130.878-121.922 + 122.447-141.844 180.000 180.000 + 121.993 -29.460 180.000 180.000 + 92.733 66.881 136.434-163.885 + 92.503 66.563 111.946 -76.157 + 134.237 -97.941 114.784 -82.091 + 95.060 95.456 180.000 180.000 + 131.545 -61.868 160.568 -43.573 + 119.022-108.443 107.473-111.510 + 120.391-138.453 113.065-112.537 + 117.478-118.299 125.530-133.377 + 121.852 0.000 121.458 -81.040 + # 21 total E -8.77540E+01 rmsd from N 2.117 %NC 0.53 1 + 117.075-174.684 115.214 -81.355 + 91.620 89.219 131.685 -20.526 + 90.865 46.728 99.492 -87.988 + 89.785 43.635 148.299 -97.401 + 90.930 44.141 122.116-125.846 + 91.497 44.254 139.842 80.044 + 91.548 44.913 129.579-144.739 + 93.072 74.070 140.542-133.136 + 90.940 -68.459 141.768-139.218 + 105.945 -59.159 180.000 180.000 + 108.323 -62.190 180.000 180.000 + 92.675 77.387 136.758-164.820 + 93.418 101.376 113.089 -76.540 + 122.221 -84.355 123.966 -83.758 + 96.488 79.365 180.000 180.000 + 121.973 -78.706 145.579 -36.678 + 120.420-113.164 109.906-111.433 + 120.048-136.522 110.734-110.804 + 118.000-118.392 122.095-127.275 + 121.864 0.000 121.469 -81.065 + # 22 total E -8.72532E+01 rmsd from N 3.018 %NC 0.60 1 + 93.920 119.786 144.299 -10.229 + 91.597 86.717 137.344 -19.153 + 91.208 45.653 140.811 112.210 + 90.254 44.790 145.584 -94.411 + 89.131 48.753 121.742-123.627 + 89.534 58.622 155.461 -16.678 + 89.873 39.965 140.999-168.939 + 91.443 68.168 101.639-108.116 + 91.840 -64.306 134.260-121.513 + 114.928 -47.430 180.000 180.000 + 122.228 -68.213 180.000 180.000 + 93.377 69.180 109.853 -96.061 + 92.202 115.723 118.203 132.776 + 93.382 -55.549 126.151-158.265 + 97.146 81.646 180.000 180.000 + 128.553 -83.360 146.800 -27.726 + 120.953-106.628 117.759-120.786 + 120.038-136.265 110.057-109.238 + 118.075-118.785 120.796-127.286 + 121.892 0.000 121.583 -81.056 + # 23 total E -8.72471E+01 rmsd from N 2.692 %NC 0.60 1 + 93.849 94.113 146.651 -14.307 + 91.422 74.341 143.211-112.771 + 90.595 59.924 135.465 112.779 + 88.807 49.877 144.443 -96.950 + 89.116 46.276 120.770 -85.405 + 90.469 50.795 157.249 -3.279 + 90.625 42.498 134.366-162.746 + 91.966 75.261 103.486 -98.883 + 90.638 -61.822 128.366-142.774 + 105.577 -69.480 180.000 180.000 + 99.991 -28.017 180.000 180.000 + 93.376 104.233 136.937-163.461 + 94.857 96.227 114.126 -76.938 + 131.035 -84.276 130.107 -78.143 + 96.475 78.602 180.000 180.000 + 125.746 -80.502 139.482 -80.720 + 120.465-112.445 115.130-120.364 + 119.912-133.787 109.277-108.674 + 118.462-118.675 118.122-122.096 + 121.891 0.000 121.532 -81.081 + # 24 total E -8.74751E+01 rmsd from N 2.618 %NC 0.53 1 + 115.479 170.167 151.516 -14.112 + 91.614 77.242 138.598 -40.210 + 91.598 44.211 123.367 120.593 + 90.296 47.688 144.206 -92.535 + 89.803 44.418 119.945-122.991 + 90.874 45.766 151.351 -1.278 + 91.369 43.504 135.194-164.641 + 92.951 65.280 138.558-132.643 + 91.846 -62.046 120.073 -84.644 + 116.794 -73.433 180.000 180.000 + 118.308 -47.280 180.000 180.000 + 92.671 73.073 135.778-162.647 + 92.272 99.284 112.519 -76.282 + 127.504 -76.495 119.114 -86.492 + 95.431 76.460 180.000 180.000 + 127.385 -78.360 152.798-133.031 + 120.769-115.335 109.993-115.258 + 119.948-136.114 111.607-111.267 + 118.125-118.696 120.978-124.430 + 121.889 0.000 121.553 -81.066 + # 25 total E -8.70317E+01 rmsd from N 2.615 %NC 0.53 1 + 93.713 36.150 108.123 -80.305 + 91.540 69.537 137.789 -44.780 + 90.881 50.221 122.070 114.663 + 89.539 45.637 144.939 -90.544 + 89.830 44.426 119.059-119.441 + 90.226 51.734 158.649 40.747 + 90.235 42.407 139.139-165.343 + 91.874 70.604 132.065-133.636 + 90.799 -62.876 134.359-129.929 + 107.736 -67.922 180.000 180.000 + 102.037 -32.707 180.000 180.000 + 92.427 99.010 140.451-169.480 + 93.578 91.344 111.927 -78.934 + 119.220 -84.641 138.691-166.167 + 96.661 91.095 180.000 180.000 + 128.455 -81.776 146.368-130.806 + 121.551-115.091 109.560-113.066 + 119.260-136.137 112.395-113.180 + 118.141-118.672 120.997-124.361 + 121.886 0.000 121.548 -81.063 + # 26 total E -8.86803E+01 rmsd from N 2.308 %NC 0.53 1 + 115.869 -51.103 110.231 -81.845 + 91.768 79.676 130.702 -30.101 + 91.992 43.061 97.597 -80.845 + 91.232 43.848 148.029-100.406 + 90.053 42.785 119.875-111.983 + 90.971 52.788 164.665 10.394 + 90.448 45.845 131.822-165.495 + 91.621 74.473 107.604-102.897 + 90.421 -65.079 129.912-137.890 + 103.277 -66.222 180.000 180.000 + 98.732 -31.969 180.000 180.000 + 92.858 104.278 139.903-168.579 + 94.441 102.892 113.463 -77.150 + 122.532 -95.058 120.191 -77.439 + 94.783 80.750 180.000 180.000 + 130.787 -69.522 128.788 -95.159 + 118.866-107.639 110.579-115.161 + 118.613-138.913 110.377-111.233 + 117.305-118.159 126.517-135.439 + 121.811 0.000 121.486 -80.908 + # 27 total E -8.84376E+01 rmsd from N 2.913 %NC 0.53 1 + 93.710 36.864 108.353 -80.497 + 91.647 73.596 137.118 -39.701 + 91.728 44.940 126.547 120.631 + 90.680 46.766 145.456 -96.658 + 89.640 44.945 123.913-107.904 + 90.736 51.662 157.536 -7.505 + 90.588 44.136 137.243-163.189 + 91.796 74.434 105.854-101.042 + 90.589 -64.442 127.717-141.886 + 105.296 -66.775 180.000 180.000 + 98.544 -29.344 180.000 180.000 + 93.335 105.818 112.470-102.049 + 93.770 92.794 114.719 -76.947 + 123.678 -84.807 119.178 -78.265 + 94.852 87.790 180.000 180.000 + 132.034 -64.418 137.747-123.575 + 119.296-109.888 108.848-114.533 + 120.746-136.741 110.793-109.726 + 118.063-118.699 121.209-126.873 + 121.891 0.000 121.553 -81.070 + # 28 total E -8.78101E+01 rmsd from N 3.163 %NC 0.47 1 + 93.940 120.391 143.295 -9.787 + 91.597 89.256 136.488 -11.939 + 91.342 41.851 140.785 113.598 + 90.704 49.934 140.518 -89.886 + 89.681 43.718 121.257-135.145 + 89.650 56.417 134.500 -27.449 + 89.867 45.950 142.145 174.050 + 91.299 78.621 89.808 -72.509 + 90.582 -58.033 137.251-130.212 + 105.523 -66.998 180.000 180.000 + 98.719 -29.245 180.000 180.000 + 93.349 107.219 106.571 -90.072 + 93.762 103.792 115.013 -76.813 + 114.151 -78.671 117.917 -76.672 + 94.909 87.096 180.000 180.000 + 133.068 -63.198 144.239 -54.288 + 119.747-106.098 101.151-100.549 + 117.189-139.982 108.701-109.375 + 117.087-118.590 128.157-139.273 + 121.825 0.000 121.656 -80.841 + # 29 total E -8.82215E+01 rmsd from N 2.363 %NC 0.53 1 + 93.896 122.951 146.585 -7.888 + 91.504 84.535 135.537 -24.150 + 90.231 48.563 92.977 -82.629 + 90.132 41.003 154.241 -96.399 + 90.189 45.035 120.209-120.396 + 90.501 54.635 156.618 91.154 + 90.192 41.202 141.151-134.827 + 92.083 61.494 129.195-136.630 + 91.890 -71.041 140.074-123.003 + 112.542 -48.214 180.000 180.000 + 115.000 -72.083 180.000 180.000 + 92.665 68.902 145.767-177.487 + 93.300 119.888 115.285 -76.784 + 121.819 -84.580 129.147-148.531 + 95.730 69.025 180.000 180.000 + 118.735 -74.436 126.809 -52.503 + 119.775-154.030 110.678-111.529 + 122.596-108.320 125.752-127.957 + 118.509-118.361 114.635-118.035 + 121.866 0.000 121.444 -81.072 + # 30 total E -8.72518E+01 rmsd from N 3.024 %NC 0.60 1 + 93.710 37.378 108.280 -80.449 + 91.635 71.953 136.095 -41.693 + 91.787 45.706 126.655 120.492 + 90.761 45.953 146.057 -97.158 + 89.746 46.446 122.821-106.707 + 90.869 48.963 159.624 -3.921 + 90.922 49.010 136.332-152.141 + 92.449 73.774 110.672-102.943 + 91.493 -67.966 96.539 -72.598 + 108.985 -52.563 180.000 180.000 + 92.725 -35.830 180.000 180.000 + 96.102 136.678 109.183 -92.782 + 92.758 88.315 112.790 -76.936 + 135.776 -90.725 118.429 -82.286 + 94.364 88.272 180.000 180.000 + 127.527 -61.478 133.428-108.731 + 118.755-110.296 108.749-114.817 + 121.204-137.176 111.642-110.612 + 118.046-118.588 121.360-126.733 + 121.885 0.000 121.518 -81.077 + # 31 total E -8.80853E+01 rmsd from N 2.985 %NC 0.60 1 + 115.218 160.234 145.962 -21.675 + 91.565 88.462 137.353 -10.388 + 90.754 44.558 134.630 114.166 + 90.165 46.876 144.885 -92.465 + 89.466 45.784 123.684-134.393 + 89.588 50.114 146.302 -12.333 + 90.213 43.581 141.389-160.666 + 91.744 74.557 132.967-133.365 + 90.640 -56.107 133.517-133.639 + 109.306 -71.061 180.000 180.000 + 101.640 -26.719 180.000 180.000 + 92.797 99.790 139.443-167.257 + 92.754 104.104 114.623 -78.323 + 120.938 -84.640 128.910-152.010 + 95.561 77.721 180.000 180.000 + 128.340 -80.476 144.724 -39.429 + 119.642-111.469 113.395-116.336 + 119.578-134.665 110.150-110.471 + 118.338-118.701 119.140-123.433 + 121.891 0.000 121.545 -81.074 + # 32 total E -8.81161E+01 rmsd from N 2.300 %NC 0.60 1 + 93.957 124.639 143.717 -4.699 + 91.460 85.040 139.776 -23.000 + 91.436 41.557 126.522 119.920 + 90.527 47.063 150.734 -92.451 + 90.725 44.734 120.424-128.006 + 91.160 48.378 147.160 92.852 + 91.176 40.497 138.171-126.712 + 93.302 70.207 136.225-135.287 + 92.020 -72.829 142.041-133.510 + 109.612 -45.087 180.000 180.000 + 115.038 -72.131 180.000 180.000 + 93.609 66.042 131.725-157.718 + 93.260 122.802 114.885 -76.962 + 117.716 -84.596 125.949-144.198 + 95.365 69.870 180.000 180.000 + 120.346 -82.560 127.658 -49.882 + 123.899-163.915 109.844-108.241 + 119.059-113.233 117.020-119.052 + 117.307-118.580 126.146-133.121 + 121.818 0.000 121.578 -80.916 + # 33 total E -8.81204E+01 rmsd from N 2.915 %NC 0.60 1 + 119.109-118.147 110.721 -83.072 + 91.667 71.915 137.752 -38.449 + 91.719 44.780 126.498 120.871 + 90.679 46.702 145.655 -96.841 + 89.635 44.984 123.720-108.200 + 90.718 51.684 157.537 -7.710 + 90.577 44.035 137.177-162.908 + 91.800 74.462 105.806-101.041 + 90.583 -64.379 127.811-141.862 + 105.302 -66.801 180.000 180.000 + 98.533 -29.346 180.000 180.000 + 93.340 105.850 112.556-102.134 + 93.782 92.842 114.729 -76.947 + 123.705 -84.747 119.304 -78.216 + 94.875 87.705 180.000 180.000 + 131.968 -64.573 137.622-123.559 + 119.288-109.832 108.950-114.631 + 120.743-136.720 110.771-109.702 + 118.066-118.700 121.167-126.808 + 121.891 0.000 121.552 -81.070 + # 34 total E -8.71568E+01 rmsd from N 2.354 %NC 0.60 1 + 119.750-121.686 106.763 -76.806 + 91.362 77.642 134.788 -24.487 + 93.504 35.966 176.436-178.790 + 92.144 49.212 140.755 -99.749 + 90.452 40.452 114.282-123.139 + 91.223 51.648 164.300 18.174 + 90.558 45.150 134.231-174.158 + 91.805 75.522 109.885 -99.597 + 90.246 -65.678 130.594-137.945 + 102.984 -66.615 180.000 180.000 + 98.216 -31.282 180.000 180.000 + 93.034 104.679 139.194-167.149 + 94.421 102.148 114.206 -76.968 + 122.806 -95.249 119.862 -77.439 + 94.721 80.951 180.000 180.000 + 130.720 -68.585 129.330 -93.716 + 118.852-107.098 109.774-114.159 + 118.251-141.144 110.550-111.692 + 118.362-108.532 126.947-135.522 + 120.746 0.000 119.035 -80.270 + # 35 total E -8.75539E+01 rmsd from N 2.091 %NC 0.47 1 + 117.414 -92.139 147.271 -32.348 + 91.521 80.018 128.112 -22.042 + 91.480 43.968 97.448 -86.489 + 90.630 44.426 149.327 -95.267 + 90.277 43.243 117.820-122.166 + 91.106 48.303 155.396 32.910 + 90.794 44.373 131.244-153.651 + 92.037 71.487 137.196-133.219 + 90.856 -65.902 135.177-124.079 + 109.832 -67.116 180.000 180.000 + 112.368 -55.932 180.000 180.000 + 92.489 76.861 139.957-169.266 + 92.709 108.049 112.926 -76.401 + 123.936 -87.301 117.515 -84.712 + 94.757 73.881 180.000 180.000 + 126.830 -73.648 139.874 -63.235 + 119.707-111.299 108.187-110.877 + 119.310-137.625 111.941-112.872 + 117.530-118.266 124.935-131.753 + 121.832 0.000 121.478 -80.988 + # 36 total E -8.77764E+01 rmsd from N 2.634 %NC 0.47 1 + 93.708 39.089 108.754 -80.852 + 91.805 79.402 134.035 -30.081 + 92.548 37.538 133.576 119.973 + 91.843 51.784 141.505 -89.986 + 90.265 39.747 119.263-125.228 + 90.944 53.807 138.380 -35.851 + 90.283 45.399 140.754-179.688 + 91.344 75.227 95.163 -74.296 + 90.206 -63.089 135.330-136.174 + 106.884 -70.467 180.000 180.000 + 100.339 -26.437 180.000 180.000 + 92.932 101.620 135.219-160.560 + 93.430 84.061 114.717 -76.651 + 95.584 -99.029 109.249 -83.105 + 94.045 136.289 180.000 180.000 + 132.563 -75.036 149.550 173.510 + 117.000-109.880 109.317-116.622 + 120.876-138.168 110.808-109.051 + 117.528-118.503 125.293-132.864 + 121.853 0.000 121.603 -80.974 + # 37 total E -8.81055E+01 rmsd from N 2.787 %NC 0.60 1 + 93.878 112.546 145.944 -11.221 + 91.407 79.252 125.623 -26.158 + 92.501 36.292 147.233 114.664 + 92.170 55.160 138.953 -86.557 + 90.368 38.793 120.780-128.903 + 90.751 57.222 119.497 -42.627 + 89.869 46.391 152.688-174.288 + 90.907 69.805 89.906 -73.081 + 90.396 -69.404 138.062-127.712 + 112.481 -75.339 180.000 180.000 + 102.169 -21.180 180.000 180.000 + 92.937 98.785 138.563-163.445 + 92.958 71.551 115.378 -76.348 + 94.251 -95.508 108.847 -85.305 + 93.875 144.435 180.000 180.000 + 137.489 -78.556 147.439 157.663 + 115.758-103.636 112.895-122.662 + 118.557-142.099 107.025-105.448 + 116.825-118.444 131.347-145.139 + 121.718 0.000 121.610 -80.710 + # 38 total E -8.72861E+01 rmsd from N 3.207 %NC 0.60 1 + 93.966 121.267 142.031 -8.513 + 91.588 89.652 138.675 -11.364 + 91.068 43.039 144.696 108.988 + 90.644 47.718 143.566 -92.318 + 89.624 46.969 120.511-134.595 + 89.536 59.174 138.704 -29.557 + 89.742 44.568 142.995-169.047 + 91.186 75.993 91.456 -75.622 + 90.737 -57.707 135.783-134.435 + 107.149 -69.527 180.000 180.000 + 100.282 -29.735 180.000 180.000 + 93.163 106.355 112.543-101.641 + 94.099 92.957 113.140 -77.435 + 121.858 -75.559 125.373 -76.477 + 96.175 86.801 180.000 180.000 + 129.934 -73.373 150.500 -28.071 + 119.506-108.604 107.599-107.129 + 120.232-136.624 108.833-108.056 + 117.946-118.789 121.808-129.146 + 121.888 0.000 121.594 -81.042 + # 39 total E -8.79591E+01 rmsd from N 2.617 %NC 0.60 1 + 93.854 96.632 146.508 -13.378 + 91.392 68.930 137.313 -44.157 + 90.768 50.333 122.492 114.085 + 89.441 45.748 144.761 -89.343 + 89.770 44.471 118.198-121.716 + 90.215 51.642 158.327 40.923 + 90.239 42.465 139.200-165.630 + 91.872 70.675 132.301-133.611 + 90.786 -62.880 134.367-129.982 + 107.714 -67.965 180.000 180.000 + 102.012 -32.663 180.000 180.000 + 92.428 99.000 140.430-169.451 + 93.593 91.106 111.933 -78.927 + 119.253 -84.617 138.759-166.042 + 96.672 91.266 180.000 180.000 + 128.437 -81.697 146.919-130.464 + 121.565-115.151 109.482-112.973 + 119.270-136.214 112.347-113.106 + 118.089-118.684 121.313-124.840 + 121.885 0.000 121.552 -81.060 + # 40 total E -8.81755E+01 rmsd from N 3.118 %NC 0.60 1 + 93.868 101.780 146.137 -11.056 + 91.431 70.614 135.348 -41.821 + 91.791 43.755 128.805 121.062 + 90.977 49.282 142.963 -92.880 + 89.711 41.639 124.527-110.438 + 90.853 52.782 152.463 -25.609 + 90.659 41.087 134.813 177.756 + 91.743 69.933 103.510 -96.391 + 91.759 -65.386 132.992-124.988 + 115.853 -46.232 180.000 180.000 + 119.053 -58.734 180.000 180.000 + 93.556 72.056 103.911 -75.631 + 93.069 116.673 126.441 124.079 + 110.509 -65.771 127.057-134.860 + 94.130 79.672 180.000 180.000 + 125.648 -66.679 140.440-141.351 + 120.906-112.194 109.272-114.486 + 120.234-138.193 111.023-110.195 + 117.401-118.801 124.736-131.188 + 121.866 0.000 121.622 -80.983 + # 41 total E -8.80465E+01 rmsd from N 2.454 %NC 0.53 1 + 93.997 125.465 141.732 -3.342 + 91.443 90.409 137.006 -13.485 + 90.235 48.388 128.737 112.157 + 89.358 43.615 149.428 -93.028 + 89.684 48.635 123.705-133.183 + 89.847 49.161 155.842 32.682 + 90.398 42.934 137.286-138.103 + 92.396 73.106 131.691-135.646 + 91.202 -65.914 137.931-117.775 + 108.205 -56.274 180.000 180.000 + 115.729 -52.164 180.000 180.000 + 93.216 83.030 138.831-166.076 + 92.637 111.217 112.624 -76.756 + 93.733 -72.254 134.848-159.598 + 96.982 83.544 180.000 180.000 + 132.103 -89.129 139.059 -37.153 + 120.729-110.469 119.016-122.835 + 119.585-117.414 111.673-111.940 + 118.177-118.648 118.385-122.576 + 121.892 0.000 121.523 -81.088 + # 42 total E -8.71937E+01 rmsd from N 2.074 %NC 0.53 1 + 93.847 107.695 147.315 -12.774 + 91.437 80.751 139.290 -32.126 + 90.633 49.348 127.194 95.119 + 89.237 46.745 143.614 -89.599 + 89.557 45.105 119.577-125.804 + 90.150 54.104 118.890 26.260 + 89.882 40.070 149.606-162.857 + 91.850 67.486 129.312-134.793 + 91.841 -56.363 137.092-124.192 + 117.457 -86.869 180.000 180.000 + 117.714 -60.861 180.000 180.000 + 92.512 69.002 137.408-167.479 + 94.535 87.728 112.476 -75.665 + 123.228 -79.112 151.953 -38.953 + 96.286 83.886 180.000 180.000 + 133.362 -68.905 157.478 -43.916 + 122.001-139.101 103.969-103.420 + 119.403-112.260 113.639-114.710 + 117.007-118.525 129.850-139.313 + 121.770 0.000 121.600 -80.808 + # 43 total E -8.80708E+01 rmsd from N 2.775 %NC 0.67 1 + 93.844 91.902 146.549 -15.916 + 91.513 67.943 134.705 -55.557 + 91.630 60.256 124.987 117.914 + 89.749 50.059 144.421 -96.942 + 89.655 43.631 119.166-115.136 + 91.244 51.277 161.886 0.542 + 90.758 39.880 130.366-171.421 + 92.227 73.530 103.705 -96.586 + 90.996 -61.665 130.686-136.153 + 107.731 -68.853 180.000 180.000 + 101.295 -27.924 180.000 180.000 + 93.240 99.387 133.358-158.269 + 93.864 108.579 114.049 -78.974 + 131.172 -96.477 134.169-155.763 + 95.299 81.275 180.000 180.000 + 125.555 -66.628 132.860 -80.871 + 119.527-111.918 110.325-116.186 + 120.027-135.990 111.563-111.063 + 118.224-118.672 120.374-124.457 + 121.888 0.000 121.542 -81.071 + # 44 total E -8.73737E+01 rmsd from N 2.901 %NC 0.60 1 + 115.447 160.875 145.604 -20.405 + 91.561 88.252 137.465 -10.669 + 91.275 42.549 140.474 112.626 + 90.592 48.676 143.567 -92.761 + 89.690 45.042 120.936-134.116 + 89.717 56.845 138.466 -26.042 + 89.761 46.235 143.871-168.538 + 90.974 75.841 91.444 -74.135 + 90.477 -58.392 135.322-133.143 + 107.638 -73.112 180.000 180.000 + 101.857 -27.478 180.000 180.000 + 92.976 103.008 137.691-164.472 + 93.874 91.836 112.965 -77.090 + 125.924 -78.308 127.830 -78.985 + 96.724 82.687 180.000 180.000 + 129.388 -84.914 148.793 -26.832 + 120.205-112.502 112.255-113.831 + 119.873-135.240 109.312-109.143 + 118.231-118.738 120.041-124.527 + 121.878 0.000 121.547 -81.055 + # 45 total E -8.76327E+01 rmsd from N 2.149 %NC 0.60 1 + 93.875 123.025 147.773 -8.782 + 91.408 86.591 127.278 -23.244 + 90.974 48.904 95.532 -86.288 + 90.413 41.076 149.151-101.999 + 90.581 45.746 117.895 -32.685 + 91.313 45.235 136.328 85.584 + 91.142 47.620 130.457-142.815 + 92.979 73.043 138.626-138.539 + 91.553 -72.383 142.188 -18.441 + 104.705 -53.034 180.000 180.000 + 110.753 -66.828 180.000 180.000 + 93.023 76.820 137.431-165.796 + 93.132 109.982 114.016 -76.980 + 120.672 -94.331 121.620-129.682 + 94.832 73.467 180.000 180.000 + 126.173 -62.935 138.512 -67.543 + 120.327-153.651 106.494-108.345 + 124.978-109.949 115.992-114.680 + 118.022-118.520 120.258-125.471 + 121.884 0.000 121.484 -81.095 + # 46 total E -8.86348E+01 rmsd from N 2.622 %NC 0.40 1 + 93.710 38.364 108.470 -80.566 + 91.647 75.565 139.854 -36.611 + 91.344 45.386 122.379 119.942 + 90.225 45.752 143.276 -92.533 + 89.731 44.740 119.126-121.226 + 90.432 47.511 157.586 15.185 + 90.748 46.527 135.135-174.693 + 92.015 75.836 136.390-128.641 + 90.322 -64.432 130.075-138.196 + 103.897 -68.080 180.000 180.000 + 99.054 -29.470 180.000 180.000 + 93.101 104.036 137.198-164.056 + 93.990 96.244 114.350 -76.828 + 124.014 -91.518 118.763 -77.663 + 94.698 84.346 180.000 180.000 + 131.884 -64.035 136.927-106.716 + 120.723-135.163 105.373-108.682 + 118.856-113.619 109.064-109.037 + 116.928-118.506 130.699-141.457 + 121.745 0.000 121.616 -80.751 + # 47 total E -8.81315E+01 rmsd from N 3.123 %NC 0.60 1 + 93.874 105.912 146.107 -10.063 + 91.464 72.578 133.706 -38.693 + 92.393 40.053 130.810 120.888 + 91.716 50.069 142.465 -90.867 + 90.003 40.272 122.637-114.887 + 91.163 53.687 146.632 -33.943 + 90.716 41.167 138.228 177.915 + 91.704 69.088 103.050 -93.801 + 92.040 -66.674 133.219-127.268 + 118.462 -40.294 180.000 180.000 + 121.033 -62.571 180.000 180.000 + 93.797 66.016 104.540 -73.480 + 93.050 123.165 131.712 131.975 + 96.175 -65.459 120.598-136.370 + 94.562 86.762 180.000 180.000 + 128.138 -65.519 137.205-150.125 + 120.645-113.668 108.185-113.504 + 120.483-138.267 111.555-110.848 + 117.391-118.779 124.868-131.189 + 121.863 0.000 121.616 -80.982 + # 48 total E -8.84696E+01 rmsd from N 2.901 %NC 0.60 1 + 119.109-113.130 109.916 -82.698 + 91.587 69.297 137.854 -43.601 + 91.980 43.780 123.823 123.238 + 90.900 48.091 144.259 -95.727 + 89.788 42.455 122.821-111.847 + 90.934 51.257 156.979 -15.614 + 90.643 42.681 136.221-173.920 + 91.690 72.423 105.514 -97.566 + 90.704 -62.367 129.423-138.507 + 108.767 -69.364 180.000 180.000 + 101.252 -26.466 180.000 180.000 + 92.949 99.309 136.414-162.198 + 92.707 99.443 114.338 -78.011 + 124.968 -88.215 126.506-140.003 + 94.845 84.064 180.000 180.000 + 129.030 -75.388 132.553-133.491 + 120.630-114.638 110.554-116.433 + 119.709-136.165 109.566-109.072 + 118.012-118.750 121.611-126.132 + 121.890 0.000 121.574 -81.057 + # 49 total E -8.86290E+01 rmsd from N 2.614 %NC 0.47 1 + 115.370 169.411 151.606 -14.707 + 91.630 77.908 139.272 -38.477 + 91.461 45.249 122.054 119.742 + 90.246 45.909 143.988 -91.897 + 89.725 44.564 119.071-121.419 + 90.432 47.616 157.501 15.689 + 90.760 46.647 135.169-174.368 + 92.014 75.960 136.701-128.493 + 90.310 -64.414 130.096-138.317 + 103.780 -68.004 180.000 180.000 + 99.010 -29.590 180.000 180.000 + 93.094 104.038 137.212-164.123 + 93.986 96.384 114.322 -76.838 + 123.940 -91.656 118.632 -77.733 + 94.664 84.220 180.000 180.000 + 131.908 -63.754 136.801-106.173 + 120.740-135.629 105.260-108.500 + 118.876-113.494 109.100-109.090 + 116.933-118.509 130.641-141.339 + 121.746 0.000 121.616 -80.754 + # 50 total E -8.78679E+01 rmsd from N 3.069 %NC 0.53 1 + 93.854 100.404 146.869 -12.016 + 91.435 72.065 136.751 -38.934 + 91.259 45.014 128.088 120.440 + 90.428 47.867 141.904 -90.498 + 89.509 43.789 119.765-123.023 + 90.270 48.112 155.065 -14.035 + 91.065 43.817 133.315 178.572 + 92.583 64.998 136.554-131.930 + 92.057 -61.871 121.007 -86.660 + 117.628 -53.372 180.000 180.000 + 116.847 -55.643 180.000 180.000 + 93.116 75.543 101.057 -62.208 + 92.965 112.568 114.077 -76.676 + 115.794 -70.109 126.283-134.426 + 94.017 79.583 180.000 180.000 + 125.328 -64.478 139.791-137.546 + 120.884-112.395 108.177-113.030 + 120.468-138.021 110.566-109.483 + 117.481-118.778 124.396-131.038 + 121.863 0.000 121.600 -80.991 + # 51 total E -8.80962E+01 rmsd from N 2.691 %NC 0.60 1 + 93.985 124.928 142.254 -4.373 + 91.473 90.626 137.900 -14.393 + 90.304 47.807 128.542 111.886 + 89.263 44.392 147.292 -91.609 + 89.406 47.718 123.833-134.089 + 89.291 51.463 160.391 33.745 + 90.099 41.873 139.372-155.104 + 92.164 73.959 129.571-134.105 + 90.914 -58.798 135.216-132.856 + 105.835 -67.727 180.000 180.000 + 100.450 -32.815 180.000 180.000 + 92.615 102.384 139.598-169.096 + 92.728 99.110 113.426 -79.107 + 110.395 -80.640 131.436-171.156 + 97.015 85.624 180.000 180.000 + 129.616 -88.009 141.233 -34.663 + 120.884-109.489 117.864-121.298 + 119.617-133.317 111.515-111.715 + 118.753-118.565 116.181-118.778 + 121.874 0.000 121.497 -81.068 + # 52 total E -8.74906E+01 rmsd from N 1.811 %NC 0.60 1 + 93.926 123.918 145.185 -6.537 + 91.514 87.452 137.456 -23.334 + 91.169 45.164 124.543 110.928 + 89.985 45.208 146.108 -91.173 + 89.986 45.660 120.976-126.512 + 90.260 47.558 161.286 35.109 + 90.686 45.237 141.617-149.848 + 92.055 72.014 136.361-133.736 + 90.645 -68.751 135.954-118.346 + 106.997 -60.493 180.000 180.000 + 112.083 -53.127 180.000 180.000 + 92.538 81.030 132.811-159.417 + 93.691 129.460 112.655 -76.620 + 114.813 -79.644 118.897 -80.790 + 94.539 65.617 180.000 180.000 + 126.571 -87.173 112.602 -93.599 + 119.175-107.506 120.745-128.076 + 118.132-136.348 109.254-109.917 + 117.961-118.758 121.889-127.359 + 121.881 0.000 121.588 -81.032 + # 53 total E -8.73823E+01 rmsd from N 3.294 %NC 0.53 1 + 93.974 122.858 142.146 -7.017 + 91.539 88.231 138.319 -14.355 + 91.057 43.796 140.373 110.121 + 90.625 45.398 147.514 -93.681 + 89.835 49.674 121.894-129.357 + 90.441 46.359 143.656 -20.146 + 90.778 45.281 136.272-128.080 + 92.723 76.837 133.986-128.339 + 91.408 -62.325 102.905 -75.177 + 111.488 -56.973 180.000 180.000 + 94.067 -26.897 180.000 180.000 + 99.091 141.319 129.949-147.883 + 93.657 84.280 113.832 -78.354 + 133.610 -92.283 126.679 -78.999 + 95.723 91.785 180.000 180.000 + 129.430 -73.723 147.847 -38.511 + 118.927-109.311 111.338-113.590 + 120.247-135.500 108.986-108.441 + 118.170-118.753 120.198-126.836 + 121.898 0.000 121.565 -81.076 + # 54 total E -8.74609E+01 rmsd from N 2.170 %NC 0.60 1 + 93.868 101.240 146.078 -11.319 + 91.371 71.675 138.816 -42.839 + 91.570 44.894 135.065 113.654 + 90.468 49.436 142.524 -92.178 + 89.874 41.943 121.578-121.210 + 90.740 54.452 154.201-101.872 + 90.317 40.665 140.520-176.251 + 91.992 71.162 107.178-100.124 + 90.919 -66.061 132.651-130.761 + 105.972 -64.241 180.000 180.000 + 99.760 -29.489 180.000 180.000 + 92.774 103.829 135.889-162.953 + 93.550 117.294 114.036 -76.833 + 116.607 -87.108 116.977 -80.027 + 95.248 72.384 180.000 180.000 + 131.336 -86.965 119.522-105.068 + 119.573-105.983 117.814-123.793 + 115.133-140.299 108.867-110.809 + 116.979-118.554 129.078-140.310 + 121.756 0.000 121.636 -80.767 + # 55 total E -8.71781E+01 rmsd from N 2.460 %NC 0.47 1 + 93.703 41.833 109.243 -81.362 + 91.960 95.179 138.257 -16.975 + 90.638 48.243 127.432 114.639 + 89.553 43.274 150.035 -93.087 + 89.786 48.498 124.363-133.577 + 89.924 49.251 156.640 33.553 + 90.400 42.738 136.872-138.565 + 92.395 72.657 131.678-135.641 + 91.213 -66.337 137.830-117.364 + 108.321 -56.046 180.000 180.000 + 115.947 -52.597 180.000 180.000 + 93.220 82.680 139.022-166.342 + 92.635 111.416 112.666 -76.742 + 93.770 -72.189 134.870-159.101 + 96.977 83.359 180.000 180.000 + 131.998 -89.230 138.762 -36.899 + 120.688-110.503 119.307-123.209 + 119.632-117.002 111.714-111.976 + 118.221-118.630 117.922-121.893 + 121.880 0.000 121.519 -81.079 + # 56 total E -8.77498E+01 rmsd from N 2.436 %NC 0.53 1 + 93.859 101.382 146.621 -11.555 + 91.413 71.975 138.251 -37.985 + 90.826 49.043 123.617 113.975 + 89.605 44.691 147.186 -91.881 + 89.993 46.022 117.602-121.727 + 90.839 48.802 152.942 32.177 + 90.548 41.888 138.528-141.667 + 92.149 68.121 133.453-134.799 + 91.499 -73.154 135.740-114.798 + 113.784 -47.648 180.000 180.000 + 125.557 -63.683 180.000 180.000 + 93.679 62.826 139.039-166.218 + 92.889 108.458 115.197 -76.557 + 94.902 -72.431 125.275-157.262 + 97.241 87.967 180.000 180.000 + 130.833 -82.815 157.508-139.308 + 121.743-115.323 108.515-111.352 + 119.597-134.878 114.162-115.486 + 118.762-118.520 117.091-118.323 + 121.832 0.000 121.470 -81.026 + # 57 total E -8.81756E+01 rmsd from N 2.118 %NC 0.47 1 + 93.709 59.121 110.156 -80.819 + 91.654 89.162 131.657 -19.925 + 90.937 46.729 99.744 -89.130 + 89.800 43.871 148.420 -97.365 + 90.928 44.044 122.477-125.890 + 91.493 44.369 139.993 80.123 + 91.541 44.804 129.639-144.719 + 93.075 74.072 140.553-133.160 + 90.935 -68.433 141.775-139.217 + 105.944 -59.195 180.000 180.000 + 108.298 -62.187 180.000 180.000 + 92.674 77.429 136.784-164.856 + 93.422 101.284 113.084 -76.539 + 122.248 -84.360 123.991 -83.779 + 96.491 79.399 180.000 180.000 + 121.992 -78.711 145.696 -36.442 + 120.424-113.171 109.879-111.381 + 120.064-136.561 110.731-110.796 + 117.985-118.388 122.186-127.392 + 121.863 0.000 121.468 -81.064 + # 58 total E -8.74470E+01 rmsd from N 3.396 %NC 0.60 1 + 93.943 119.901 142.918 -9.900 + 91.615 88.569 138.644 -13.861 + 91.279 42.625 145.669 108.717 + 90.853 47.653 142.045 -89.881 + 89.664 44.836 121.955-130.020 + 89.834 53.579 137.192 -30.877 + 90.345 42.147 144.368-172.732 + 91.759 71.477 109.971-102.047 + 92.138 -62.195 135.901-124.375 + 118.486 -39.823 180.000 180.000 + 120.513 -61.117 180.000 180.000 + 93.385 72.119 106.363 -81.187 + 92.940 122.833 130.541 137.053 + 95.120 -61.323 124.567-147.857 + 95.617 85.335 180.000 180.000 + 127.656 -73.878 152.644 -21.228 + 120.336-108.588 108.974-109.291 + 119.556-138.113 111.006-111.401 + 117.455-118.773 124.792-132.699 + 121.848 0.000 121.632 -80.954 + # 59 total E -8.73173E+01 rmsd from N 2.422 %NC 0.60 1 + 93.847 89.533 146.198 -16.641 + 91.506 68.467 130.893 -61.929 + 91.344 65.359 130.785 106.042 + 89.362 47.333 145.166 -89.085 + 89.770 44.714 114.744-120.583 + 90.423 53.858 158.775 45.078 + 90.193 42.280 138.173-165.402 + 91.981 69.653 130.587-134.300 + 91.064 -63.316 136.075-127.739 + 107.774 -67.925 180.000 180.000 + 101.328 -32.434 180.000 180.000 + 92.402 100.553 141.219-170.544 + 94.141 91.160 112.492 -78.986 + 114.242 -90.553 138.212-177.772 + 97.070 96.636 180.000 180.000 + 128.251 -76.271 141.976 -63.835 + 121.449-118.976 106.300-108.476 + 119.468-135.485 112.789-113.778 + 118.302-118.636 120.047-123.009 + 121.892 0.000 121.526 -81.084 + # 60 total E -8.71842E+01 rmsd from N 2.378 %NC 0.47 1 + 93.711 54.188 109.460 -80.509 + 91.657 86.246 135.700 -24.954 + 90.537 48.534 92.569 -84.736 + 90.150 41.272 155.686 -96.204 + 90.107 44.968 120.952-119.813 + 90.490 54.714 156.503 91.118 + 90.210 41.164 141.087-134.084 + 92.096 61.574 129.473-136.993 + 91.902 -71.076 140.052-123.512 + 112.551 -48.014 180.000 180.000 + 114.994 -72.286 180.000 180.000 + 92.701 68.631 145.557-177.211 + 93.319 120.004 115.291 -76.783 + 121.759 -84.478 129.060-148.326 + 95.692 68.867 180.000 180.000 + 118.912 -74.871 126.917 -52.274 + 120.000-155.823 110.653-111.351 + 122.770-108.584 124.433-126.169 + 118.504-118.373 114.757-118.139 + 121.856 0.000 121.439 -81.065 + # 61 total E -8.73561E+01 rmsd from N 2.557 %NC 0.40 1 + 93.706 25.815 107.541 -80.954 + 91.527 71.460 142.056 -52.588 + 91.617 41.070 79.284 -91.963 + 91.726 52.226 147.975 -95.466 + 90.012 41.070 123.247-121.782 + 90.931 59.748 131.670 -91.422 + 89.875 39.630 130.519-171.503 + 92.165 68.462 103.849-101.231 + 91.203 -64.535 138.775-138.922 + 108.518 -66.113 180.000 180.000 + 100.042 -28.716 180.000 180.000 + 92.884 104.778 143.420-172.984 + 92.635 101.319 114.329 -76.692 + 121.729 -87.879 118.013 -84.347 + 95.678 81.984 180.000 180.000 + 132.671 -79.360 125.032-117.236 + 119.382-106.332 119.728-127.843 + 119.147-136.876 106.744-106.339 + 117.974-118.765 121.811-125.910 + 121.900 0.000 121.570 -81.079 + # 62 total E -8.73250E+01 rmsd from N 2.311 %NC 0.53 1 + 93.707 38.715 108.409 -80.804 + 91.840 87.116 141.039 -24.659 + 91.687 41.404 125.152 121.784 + 90.687 46.797 151.060 -93.168 + 90.786 44.500 120.705-127.224 + 91.241 48.417 146.686 93.426 + 91.191 40.519 138.121-126.451 + 93.297 69.920 136.310-135.341 + 92.029 -73.058 142.033-133.927 + 109.659 -44.853 180.000 180.000 + 114.918 -72.397 180.000 180.000 + 93.612 65.841 131.930-158.065 + 93.268 122.831 114.924 -76.949 + 117.964 -84.304 125.910-144.234 + 95.349 69.790 180.000 180.000 + 120.220 -82.589 127.670 -49.544 + 123.943-164.108 109.696-107.946 + 119.112-113.166 117.196-119.297 + 117.343-118.591 125.767-132.440 + 121.825 0.000 121.576 -80.930 + # 63 total E -8.76239E+01 rmsd from N 2.629 %NC 0.60 1 + 94.002 125.352 141.405 -3.350 + 91.432 90.429 136.523 -12.383 + 90.212 48.775 130.970 110.188 + 89.481 43.187 150.267 -94.219 + 89.718 49.003 123.679-133.024 + 90.089 49.355 154.365 26.268 + 90.464 41.575 136.808-133.035 + 92.504 72.526 130.585-135.431 + 91.713 -68.324 136.819-118.250 + 111.479 -47.532 180.000 180.000 + 121.616 -64.912 180.000 180.000 + 94.168 69.522 135.591-157.918 + 91.999 114.482 123.297 140.275 + 92.815 -61.811 124.184-155.305 + 96.792 77.524 180.000 180.000 + 129.947 -90.155 141.810 -32.000 + 120.535-108.461 115.050-116.541 + 119.788-131.705 118.014-120.472 + 119.063-118.371 113.620-114.861 + 121.838 0.000 121.447 -81.025 + # 64 total E -8.71328E+01 rmsd from N 2.678 %NC 0.60 1 + 114.887 159.786 146.709 -23.616 + 91.616 88.015 139.016 -12.949 + 90.360 47.351 127.833 113.497 + 89.326 44.203 147.338 -92.441 + 89.465 47.639 123.491-132.418 + 89.332 51.647 161.077 33.640 + 90.087 41.658 139.062-155.294 + 92.174 73.764 129.213-133.986 + 90.937 -58.861 135.192-132.669 + 105.886 -67.724 180.000 180.000 + 100.457 -32.841 180.000 180.000 + 92.621 102.468 139.700-169.241 + 92.727 99.524 113.427 -79.116 + 110.348 -80.526 131.448-171.714 + 97.041 85.126 180.000 180.000 + 129.640 -88.143 140.497 -34.559 + 120.792-109.291 118.527-122.172 + 119.659-132.838 111.440-111.585 + 118.790-118.566 115.779-118.273 + 121.872 0.000 121.493 -81.066 + # 65 total E -8.79378E+01 rmsd from N 3.182 %NC 0.40 1 + 93.929 120.590 143.863 -9.867 + 91.583 89.938 135.739 -13.165 + 90.950 44.051 136.498 111.958 + 90.349 47.394 140.317 -88.434 + 89.533 44.461 122.938-134.195 + 89.615 50.806 138.931 -13.188 + 90.066 46.140 139.539 166.732 + 91.704 79.180 134.410-132.445 + 90.509 -57.602 135.672-130.486 + 105.607 -67.083 180.000 180.000 + 98.414 -30.055 180.000 180.000 + 93.371 107.255 105.578 -81.495 + 94.171 107.462 114.804 -76.896 + 114.347 -78.617 120.094 -75.751 + 95.061 87.779 180.000 180.000 + 133.968 -63.381 142.253 -65.328 + 115.690-106.287 85.512 -92.744 + 117.294-139.128 109.098-109.452 + 117.135-118.705 127.354-137.237 + 121.807 0.000 121.617 -80.868 + # 66 total E -8.81325E+01 rmsd from N 3.032 %NC 0.67 1 + 93.868 102.415 146.220 -10.935 + 91.435 70.406 135.684 -40.714 + 91.616 46.003 127.353 120.080 + 90.652 45.849 145.722 -95.989 + 89.702 46.698 120.917-112.195 + 90.841 48.747 159.445 -3.416 + 90.912 49.042 136.301-152.292 + 92.467 73.824 111.570-103.146 + 91.505 -67.940 96.513 -72.660 + 109.007 -52.509 180.000 180.000 + 92.743 -35.755 180.000 180.000 + 96.137 136.625 109.159 -92.759 + 92.775 88.305 112.785 -76.947 + 135.687 -90.706 118.436 -82.077 + 94.348 88.331 180.000 180.000 + 127.540 -61.395 133.808-108.423 + 118.786-110.271 108.755-114.867 + 121.167-137.219 111.587-110.536 + 118.020-118.593 121.534-127.038 + 121.884 0.000 121.522 -81.074 + # 67 total E -8.83058E+01 rmsd from N 2.624 %NC 0.47 1 + 119.107-122.495 111.371 -83.127 + 91.665 74.236 140.358 -35.961 + 91.351 45.185 122.278 120.281 + 90.219 45.731 143.566 -92.530 + 89.719 44.759 118.878-121.455 + 90.413 47.540 157.698 14.698 + 90.741 46.388 135.108-174.227 + 92.019 75.811 136.352-128.726 + 90.321 -64.354 130.065-138.248 + 103.929 -68.082 180.000 180.000 + 99.059 -29.450 180.000 180.000 + 93.103 104.031 137.168-164.021 + 94.003 96.287 114.356 -76.828 + 124.059 -91.370 118.899 -77.579 + 94.729 84.368 180.000 180.000 + 131.792 -64.474 136.909-107.071 + 120.702-134.644 105.551-108.917 + 118.860-113.635 109.062-109.035 + 116.933-118.512 130.622-141.304 + 121.762 0.000 121.616 -80.767 + # 68 total E -8.87124E+01 rmsd from N 2.647 %NC 0.53 1 + 93.872 113.542 146.381 -11.144 + 91.543 78.928 132.668 -29.617 + 92.400 37.765 135.153 118.797 + 91.729 51.774 141.168 -89.206 + 90.215 40.052 119.308-125.829 + 90.859 53.750 137.389 -35.753 + 90.242 45.446 141.191-179.933 + 91.334 75.328 94.720 -73.699 + 90.197 -62.958 135.741-135.630 + 106.929 -70.640 180.000 180.000 + 100.354 -26.303 180.000 180.000 + 92.943 101.680 135.141-160.432 + 93.420 83.652 114.785 -76.631 + 95.425 -98.797 109.076 -83.137 + 94.013 137.212 180.000 180.000 + 132.913 -75.133 149.298 171.264 + 116.948-109.770 109.485-117.013 + 120.888-138.293 110.777-108.939 + 117.488-118.729 125.582-133.320 + 121.854 0.000 121.607 -80.968 + # 69 total E -8.87198E+01 rmsd from N 2.345 %NC 0.53 1 + 93.869 115.826 146.658 -11.557 + 91.635 80.621 134.080 -25.405 + 93.135 37.502 176.439 179.671 + 91.942 48.628 140.076 -95.689 + 90.489 40.857 114.028-125.185 + 91.166 49.773 163.113 30.795 + 90.738 45.653 134.727-173.166 + 92.116 75.873 136.758-128.647 + 90.220 -65.285 131.667-136.854 + 102.584 -66.375 180.000 180.000 + 98.085 -32.023 180.000 180.000 + 92.990 104.631 139.310-167.546 + 94.430 102.076 113.870 -77.063 + 123.304 -95.802 118.999 -77.516 + 94.627 80.553 180.000 180.000 + 130.181 -68.450 129.391 -91.458 + 118.999-108.006 108.665-112.592 + 118.489-141.325 110.896-112.085 + 118.329-108.290 127.278-135.615 + 120.710 0.000 118.930 -80.254 + # 70 total E -8.74969E+01 rmsd from N 2.213 %NC 0.60 1 + 93.860 106.912 146.810 -11.028 + 91.495 76.379 137.957 -32.183 + 91.866 43.940 125.331 115.250 + 90.732 44.010 143.005 -94.082 + 89.901 45.207 118.344-116.649 + 90.522 51.224 169.661 9.865 + 90.608 44.958 142.362-172.979 + 91.810 73.504 108.992-102.920 + 90.778 -66.171 128.769-138.146 + 103.609 -64.429 180.000 180.000 + 99.627 -32.408 180.000 180.000 + 92.677 102.865 133.714-160.322 + 94.289 110.029 112.240 -77.373 + 123.638 -91.427 121.681 -77.428 + 95.327 84.896 180.000 180.000 + 131.597 -81.811 130.516-106.111 + 117.204-113.651 81.057 -92.135 + 114.598-146.848 111.748-114.910 + 115.882-118.030 136.193-151.875 + 121.598 0.000 121.574 -80.487 + # 71 total E -8.79632E+01 rmsd from N 2.248 %NC 0.47 1 + 93.709 58.197 110.026 -80.673 + 91.700 87.198 133.144 -23.103 + 91.317 44.867 101.231 -88.575 + 90.179 43.951 147.577 -93.535 + 90.977 42.613 118.492-126.017 + 91.073 47.110 145.840 86.254 + 91.175 45.788 133.450-155.398 + 92.821 75.220 139.716-132.058 + 90.471 -65.536 139.846-143.385 + 101.143 -62.284 180.000 180.000 + 97.780 -39.462 180.000 180.000 + 92.621 102.125 136.913-165.132 + 94.022 101.206 111.628 -78.823 + 120.724 -96.714 131.575-148.889 + 95.111 83.457 180.000 180.000 + 125.443 -71.370 138.099 -79.955 + 119.737-111.449 109.626-113.324 + 119.658-137.459 109.590-109.493 + 117.791-118.263 123.215-130.225 + 121.833 0.000 121.455 -81.012 + # 72 total E -8.77773E+01 rmsd from N 2.634 %NC 0.53 1 + 115.567 167.203 149.532 -15.044 + 91.693 79.696 133.898 -30.525 + 92.566 37.237 133.260 119.793 + 91.858 51.940 141.962 -89.641 + 90.254 39.680 118.997-125.691 + 90.921 53.898 138.419 -35.852 + 90.282 45.395 140.751-179.322 + 91.341 75.251 95.179 -74.412 + 90.202 -63.049 135.297-136.250 + 106.863 -70.460 180.000 180.000 + 100.337 -26.458 180.000 180.000 + 92.931 101.604 135.221-160.570 + 93.434 84.174 114.703 -76.656 + 95.627 -99.054 109.335 -83.063 + 94.059 135.954 180.000 180.000 + 132.444 -74.990 149.583 174.215 + 117.031-109.965 109.246-116.490 + 120.878-138.142 110.812-109.069 + 117.539-118.729 125.229-132.746 + 121.859 0.000 121.604 -80.980 + # 73 total E -8.71319E+01 rmsd from N 2.480 %NC 0.60 1 + 114.900 160.014 146.867 -23.344 + 91.619 87.551 138.396 -13.549 + 90.418 47.496 127.929 113.894 + 89.404 43.708 147.817 -92.322 + 89.520 47.983 122.729-131.056 + 89.439 51.851 158.575 34.104 + 90.155 41.936 139.397-152.119 + 92.198 73.630 129.006-134.341 + 91.098 -59.837 135.646-131.567 + 106.016 -65.990 180.000 180.000 + 102.401 -35.211 180.000 180.000 + 92.658 99.222 138.657-167.570 + 93.297 106.125 111.228 -78.880 + 95.611 -84.314 127.642-179.536 + 96.702 91.322 180.000 180.000 + 130.189 -86.296 136.182 -41.542 + 120.616-110.900 118.636-122.641 + 119.467-117.426 111.040-111.170 + 118.122-118.675 118.904-123.467 + 121.893 0.000 121.533 -81.086 + # 74 total E -8.92140E+01 rmsd from N 2.111 %NC 0.53 1 + 93.901 123.763 146.498 -7.477 + 91.445 88.956 131.076 -20.042 + 90.678 47.333 98.550 -88.314 + 89.754 43.363 146.559 -98.649 + 90.892 44.309 122.038-125.994 + 91.536 44.056 139.588 79.905 + 91.547 45.130 129.619-145.458 + 93.061 73.882 140.023-132.980 + 90.956 -68.553 141.691-139.026 + 105.981 -59.269 180.000 180.000 + 108.410 -62.083 180.000 180.000 + 92.675 77.382 136.759-164.775 + 93.412 101.104 113.076 -76.538 + 122.232 -84.347 123.951 -83.775 + 96.496 79.553 180.000 180.000 + 122.067 -78.659 145.722 -36.263 + 120.438-113.109 109.675-111.068 + 119.987-136.571 110.712-110.827 + 117.963-118.392 122.339-127.669 + 121.863 0.000 121.473 -81.060 + # 75 total E -8.84140E+01 rmsd from N 2.063 %NC 0.67 1 + 93.911 124.636 146.269 -6.080 + 91.471 88.553 133.556 -21.832 + 90.631 46.741 99.017 -86.639 + 89.677 42.973 147.922 -99.949 + 90.861 44.675 120.670-127.273 + 91.529 43.783 139.861 85.731 + 91.622 45.122 130.567-137.868 + 93.244 74.440 140.098-133.544 + 91.181 -70.438 142.754-139.763 + 105.906 -52.960 180.000 180.000 + 111.863 -64.360 180.000 180.000 + 93.111 75.496 136.801-164.628 + 92.870 113.527 114.161 -76.902 + 121.137 -89.742 124.615-134.806 + 95.450 74.779 180.000 180.000 + 119.210 -75.438 135.882 -47.920 + 119.343-117.894 106.819-107.222 + 118.424-115.979 141.799-156.921 + 117.680-118.308 123.651-128.438 + 121.871 0.000 121.437 -81.090 + # 76 total E -8.74864E+01 rmsd from N 2.627 %NC 0.47 1 + 93.710 38.067 108.413 -80.515 + 91.630 74.801 139.100 -38.483 + 91.478 44.344 123.736 120.702 + 90.279 47.546 143.430 -93.048 + 89.808 44.548 119.938-122.948 + 90.869 45.704 151.444 -1.642 + 91.354 43.453 135.253-165.405 + 92.943 65.184 138.182-132.667 + 91.848 -62.127 120.345 -85.336 + 116.839 -73.588 180.000 180.000 + 118.194 -46.853 180.000 180.000 + 92.680 73.403 135.848-162.698 + 92.303 99.062 112.486 -76.285 + 127.498 -76.507 119.362 -86.398 + 95.461 76.532 180.000 180.000 + 127.464 -78.442 152.564-133.534 + 120.761-115.247 110.090-115.392 + 119.930-136.143 111.503-111.137 + 118.097-118.703 121.163-124.758 + 121.891 0.000 121.556 -81.066 + # 77 total E -8.76335E+01 rmsd from N 1.742 %NC 0.60 1 + 93.905 122.997 146.043 -8.074 + 91.550 87.786 135.061 -24.513 + 91.633 44.837 124.964 105.531 + 90.170 44.735 142.159 -88.224 + 89.891 46.097 118.813-125.658 + 90.115 47.921 157.285 40.582 + 90.651 48.961 143.227 178.088 + 92.038 74.534 136.730-132.386 + 90.499 -68.222 136.840-121.610 + 102.773 -64.626 180.000 180.000 + 99.434 -31.473 180.000 180.000 + 92.674 102.100 133.801-159.693 + 94.826 126.906 112.842 -77.174 + 95.656 -88.138 114.000 -74.957 + 94.538 67.843 180.000 180.000 + 132.908 -78.002 106.422 -63.589 + 117.741-103.649 123.950-132.336 + 118.619-135.001 109.881-110.084 + 118.372-118.641 118.377-123.160 + 121.858 0.000 121.539 -81.025 + # 78 total E -8.96468E+01 rmsd from N 2.908 %NC 0.60 1 + 93.869 101.492 146.077 -11.094 + 91.400 69.721 136.864 -43.906 + 91.801 44.199 124.447 122.771 + 90.807 48.080 143.670 -94.401 + 89.761 42.592 121.958-114.553 + 90.933 51.112 156.945 -15.203 + 90.642 42.671 136.166-174.751 + 91.695 72.416 105.974 -97.539 + 90.697 -62.459 129.488-138.300 + 108.829 -69.415 180.000 180.000 + 101.252 -26.414 180.000 180.000 + 92.954 99.260 136.397-162.126 + 92.702 99.205 114.349 -78.009 + 125.076 -88.204 126.407-139.781 + 94.833 84.182 180.000 180.000 + 129.022 -75.264 132.936-133.584 + 120.671-114.703 110.507-116.407 + 119.716-136.280 109.492-108.943 + 117.961-118.758 121.946-126.663 + 121.889 0.000 121.578 -81.052 + # 79 total E -8.77052E+01 rmsd from N 2.259 %NC 0.60 1 + 112.848 157.741 150.750 -35.359 + 91.965 84.641 135.022 -21.729 + 91.327 43.481 105.449 -85.732 + 90.356 44.252 148.778 -93.766 + 90.993 42.370 118.453-125.559 + 91.062 47.427 146.911 86.670 + 91.149 45.265 133.709-153.352 + 92.837 75.459 139.734-132.262 + 90.457 -65.203 139.706-143.216 + 101.148 -62.321 180.000 180.000 + 97.698 -39.290 180.000 180.000 + 92.634 102.275 136.935-165.266 + 94.008 101.907 111.774 -78.854 + 120.600 -97.051 131.295-149.591 + 95.158 82.921 180.000 180.000 + 124.980 -71.699 137.082 -81.109 + 119.614-111.250 110.580-114.640 + 119.792-137.142 109.532-109.274 + 117.883-118.244 122.475-129.134 + 121.838 0.000 121.442 -81.028 + # 80 total E -8.76934E+01 rmsd from N 3.200 %NC 0.47 1 + 93.866 109.889 146.562 -11.230 + 91.524 77.864 131.672 -30.497 + 92.097 38.877 138.298 116.793 + 91.642 51.614 140.097 -88.278 + 90.046 39.788 119.511-126.245 + 90.526 58.092 132.593 -33.305 + 90.073 45.936 142.710 167.957 + 91.204 76.857 92.940 -76.965 + 90.716 -59.141 135.498-137.271 + 106.964 -67.342 180.000 180.000 + 99.541 -31.037 180.000 180.000 + 93.023 104.885 106.421 -85.517 + 93.322 96.269 112.948 -77.406 + 118.832 -75.105 117.749 -84.418 + 94.910 89.781 180.000 180.000 + 132.847 -63.940 129.420-139.850 + 119.578-106.864 104.450-107.371 + 116.652-141.500 108.791-109.562 + 116.755-118.487 130.579-143.114 + 121.732 0.000 121.633 -80.717 + # 81 total E -8.86129E+01 rmsd from N 2.806 %NC 0.53 1 + 119.144-116.805 110.318 -82.693 + 91.610 71.355 138.546 -40.247 + 91.880 43.577 124.417 122.659 + 90.799 47.617 144.351 -95.657 + 89.701 43.509 124.025-109.224 + 90.815 50.365 156.604 -12.413 + 90.693 44.125 136.239-172.758 + 91.759 74.143 106.699 -98.364 + 90.513 -63.879 127.107-143.489 + 106.177 -69.179 180.000 180.000 + 99.977 -27.096 180.000 180.000 + 93.185 103.215 135.536-161.062 + 93.902 91.342 114.649 -76.663 + 127.058 -85.710 122.289 -77.569 + 95.471 89.834 180.000 180.000 + 130.456 -76.203 139.862-133.004 + 120.729-116.351 109.349-114.724 + 120.196-136.425 109.585-108.729 + 117.979-118.752 121.921-126.515 + 121.891 0.000 121.575 -81.057 + # 82 total E -8.91923E+01 rmsd from N 2.094 %NC 0.47 1 + 93.710 62.497 110.049 -80.583 + 91.507 83.018 127.298 -24.336 + 91.531 44.238 95.398 -86.465 + 90.647 44.599 149.201 -95.245 + 90.289 43.056 117.982-122.266 + 91.148 48.355 155.152 32.891 + 90.813 44.318 131.186-154.291 + 92.029 71.357 137.283-133.091 + 90.866 -65.877 134.909-124.834 + 110.014 -67.487 180.000 180.000 + 112.469 -56.107 180.000 180.000 + 92.477 76.398 139.961-169.275 + 92.676 107.831 112.940 -76.391 + 124.189 -87.324 117.395 -84.830 + 94.748 73.952 180.000 180.000 + 126.778 -73.520 140.254 -62.322 + 119.743-111.407 107.769-110.271 + 119.244-137.733 111.987-112.985 + 117.481-118.299 125.256-132.246 + 121.821 0.000 121.484 -80.971 + # 83 total E -8.90878E+01 rmsd from N 3.004 %NC 0.60 1 + 93.966 122.828 142.502 -7.115 + 91.530 90.380 136.905 -11.975 + 90.696 44.881 135.696 113.085 + 90.148 46.913 144.467 -91.742 + 89.455 45.840 123.760-135.352 + 89.575 50.089 145.581 -12.920 + 90.203 43.730 141.919-160.940 + 91.720 74.595 133.062-133.366 + 90.630 -56.006 133.566-133.615 + 109.404 -71.173 180.000 180.000 + 101.700 -26.611 180.000 180.000 + 92.789 99.718 139.370-167.113 + 92.717 103.578 114.574 -78.278 + 120.845 -84.623 128.740-151.109 + 95.550 78.298 180.000 180.000 + 128.582 -80.237 145.752 -39.471 + 119.758-111.658 112.757-115.563 + 119.563-135.025 110.054-110.352 + 118.264-118.712 119.717-124.239 + 121.891 0.000 121.553 -81.071 + # 84 total E -8.87956E+01 rmsd from N 2.157 %NC 0.67 1 + 93.889 123.019 146.967 -8.052 + 91.322 84.571 126.198 -23.727 + 91.383 44.445 95.636 -86.774 + 90.693 44.366 149.347 -95.554 + 90.547 43.153 116.863-124.272 + 91.478 47.988 149.071 37.532 + 91.036 44.230 132.299-146.553 + 92.142 71.966 137.534-132.250 + 91.307 -67.304 133.636-131.747 + 112.719 -59.347 180.000 180.000 + 115.083 -62.653 180.000 180.000 + 93.391 66.188 139.644-167.970 + 93.552 112.870 109.288 61.331 + 119.955 -81.895 118.310 -84.054 + 94.504 71.797 180.000 180.000 + 124.904 -74.754 140.114 -55.387 + 119.913-111.504 107.848-109.753 + 119.493-137.027 112.849-113.861 + 117.728-118.339 123.704-130.091 + 121.841 0.000 121.475 -81.017 + # 85 total E -8.72454E+01 rmsd from N 2.081 %NC 0.53 1 + 114.154 171.287 150.050-102.000 + 90.971 78.459 129.283 -8.200 + 90.207 48.545 96.378 -88.684 + 89.443 43.073 144.148-101.713 + 90.734 44.857 121.889-126.077 + 91.482 43.732 139.407 78.702 + 91.515 45.453 129.366-145.799 + 93.047 73.824 139.013-133.148 + 90.975 -68.548 141.863-137.911 + 106.075 -59.398 180.000 180.000 + 108.652 -61.918 180.000 180.000 + 92.682 77.281 136.688-164.624 + 93.392 100.700 113.073 -76.539 + 122.041 -84.150 123.879 -83.683 + 96.504 79.941 180.000 180.000 + 122.332 -78.420 145.857 -35.642 + 120.456-112.875 109.053-110.103 + 119.859-136.838 110.662-110.877 + 117.840-118.426 123.070-128.927 + 121.859 0.000 121.484 -81.045 + # 86 total E -8.72197E+01 rmsd from N 2.693 %NC 0.53 1 + 93.704 41.720 109.203 -81.332 + 91.947 94.742 138.942 -17.336 + 90.675 47.725 127.436 114.247 + 89.440 44.076 147.911 -91.702 + 89.501 47.559 124.430-134.306 + 89.365 51.610 161.175 34.565 + 90.103 41.697 138.911-155.323 + 92.167 73.647 129.516-134.096 + 90.924 -59.048 135.159-132.576 + 105.891 -67.621 180.000 180.000 + 100.481 -32.932 180.000 180.000 + 92.604 102.358 139.788-169.374 + 92.732 99.361 113.375 -79.120 + 110.578 -80.733 131.470-171.103 + 97.002 85.320 180.000 180.000 + 129.498 -88.088 140.811 -34.693 + 120.835-109.462 118.113-121.624 + 119.635-132.910 111.541-111.761 + 118.805-118.543 115.712-118.116 + 121.877 0.000 121.496 -81.067 + # 87 total E -8.69533E+01 rmsd from N 2.053 %NC 0.60 1 + 93.905 123.885 146.377 -6.976 + 91.462 88.918 131.940 -19.763 + 90.591 47.358 98.252 -87.201 + 89.769 43.031 147.240 -99.753 + 90.730 44.822 123.071-124.795 + 91.494 43.884 136.857 83.881 + 91.535 45.936 129.549-143.198 + 93.220 73.954 140.092-133.418 + 91.033 -69.829 143.252-141.186 + 105.039 -57.207 180.000 180.000 + 109.022 -65.084 180.000 180.000 + 92.788 78.643 136.942-165.352 + 93.499 108.342 113.161 -76.609 + 119.702 -97.125 130.954-107.753 + 95.016 78.397 180.000 180.000 + 121.787 -66.655 112.794-128.759 + 119.500-140.609 109.249-111.751 + 121.471-110.829 113.256-112.589 + 117.599-118.497 124.707-132.944 + 121.845 0.000 121.521 -80.998 + # 88 total E -8.71601E+01 rmsd from N 2.043 %NC 0.67 1 + 93.863 110.729 146.628 -11.991 + 91.554 80.094 134.078 -28.534 + 92.323 43.148 132.230 106.464 + 91.002 44.574 140.592 -93.209 + 90.032 44.381 118.313-116.224 + 90.929 50.282 158.610 -11.210 + 90.635 42.876 137.440 152.576 + 91.320 66.161 106.491 -98.322 + 92.099 -72.911 131.319-117.907 + 118.873 -44.549 180.000 180.000 + 121.828 -60.407 180.000 180.000 + 93.397 65.090 100.748 -81.503 + 93.068 143.439 120.550 122.168 + 95.290 -68.412 124.764-158.303 + 94.295 66.272 180.000 180.000 + 126.583 -87.041 109.263-105.805 + 118.901-106.673 117.792-123.666 + 118.633-135.658 113.473-114.973 + 118.276-118.661 119.864-123.873 + 121.880 0.000 121.546 -81.053 + # 89 total E -8.89830E+01 rmsd from N 2.236 %NC 0.53 1 + 93.901 124.222 146.687 -6.868 + 91.474 88.189 132.293 -23.978 + 91.100 45.694 99.264 -88.253 + 90.096 43.358 145.660 -94.931 + 90.962 42.924 118.056-126.348 + 91.116 46.646 144.688 85.831 + 91.201 46.349 133.206-156.592 + 92.815 75.029 139.375-131.891 + 90.487 -65.778 139.943-143.507 + 101.124 -62.223 180.000 180.000 + 97.864 -39.609 180.000 180.000 + 92.606 101.994 136.903-165.063 + 94.035 100.740 111.511 -78.798 + 120.758 -96.409 131.873-148.544 + 95.096 83.803 180.000 180.000 + 125.749 -71.319 138.702 -78.962 + 119.811-111.570 109.197-112.728 + 119.600-137.590 109.630-109.608 + 117.747-118.276 123.544-130.692 + 121.831 0.000 121.463 -81.004 + # 90 total E -8.74294E+01 rmsd from N 3.074 %NC 0.53 1 + 93.853 113.337 146.155 -10.382 + 91.407 77.410 124.709 -32.505 + 93.008 35.324 144.129 116.518 + 92.590 53.610 140.259 -87.498 + 90.376 38.647 120.732-124.280 + 90.948 59.435 123.502 -41.913 + 90.058 44.495 148.980 178.331 + 91.374 72.869 90.762 -75.964 + 90.899 -63.438 138.070-134.279 + 108.820 -68.048 180.000 180.000 + 100.991 -29.283 180.000 180.000 + 92.809 101.850 114.321-105.214 + 92.746 86.296 112.281 -77.537 + 95.219 -87.749 109.011 -86.520 + 94.395 122.480 180.000 180.000 + 133.225 -67.338 146.923-163.989 + 117.055-106.021 109.144-116.977 + 118.338-141.772 108.109-107.296 + 116.748-118.475 131.289-144.329 + 121.728 0.000 121.630 -80.711 + # 91 total E -8.75168E+01 rmsd from N 2.793 %NC 0.53 1 + 115.186 162.436 147.991 -19.412 + 91.259 85.667 130.950 5.204 + 90.431 49.776 137.642 111.070 + 89.628 46.583 145.564 -92.568 + 89.174 47.173 127.152-144.262 + 89.492 49.182 146.549 -7.060 + 90.250 45.580 140.250-157.075 + 91.748 76.786 133.342-132.575 + 90.390 -58.358 131.645-139.069 + 106.112 -70.690 180.000 180.000 + 100.608 -29.015 180.000 180.000 + 92.962 103.095 138.053-165.589 + 94.159 95.125 113.238 -77.067 + 125.928 -81.227 126.979 -78.262 + 96.358 81.501 180.000 180.000 + 128.483 -83.323 146.159 -33.132 + 119.914-113.095 111.660-113.307 + 119.796-134.329 110.352-110.612 + 118.407-118.672 118.714-122.607 + 121.890 0.000 121.534 -81.079 + # 92 total E -8.83877E+01 rmsd from N 2.638 %NC 0.53 1 + 93.857 102.349 146.840 -11.478 + 91.422 73.261 138.676 -37.365 + 91.263 44.593 124.421 120.314 + 90.176 47.517 142.939 -91.979 + 89.771 44.687 119.422-124.269 + 90.853 45.639 151.285 -1.649 + 91.343 43.393 135.333-165.979 + 92.933 65.235 138.155-132.604 + 91.829 -62.114 120.607 -85.780 + 116.845 -73.781 180.000 180.000 + 118.101 -46.548 180.000 180.000 + 92.683 73.541 135.866-162.696 + 92.324 98.841 112.464 -76.287 + 127.590 -76.481 119.501 -86.335 + 95.469 76.599 180.000 180.000 + 127.494 -78.367 152.719-134.058 + 120.772-115.209 110.119-115.490 + 119.914-136.293 111.415-111.005 + 118.047-118.711 121.480-125.260 + 121.889 0.000 121.561 -81.061 + # 93 total E -8.89154E+01 rmsd from N 2.755 %NC 0.53 1 + 93.710 38.010 108.339 -80.450 + 91.634 73.381 137.669 -41.093 + 91.877 44.219 124.830 121.639 + 90.733 47.158 145.904 -97.251 + 89.862 44.731 123.535-109.510 + 91.141 48.787 155.821 -7.110 + 90.773 44.870 136.562-154.059 + 91.807 73.508 107.688 -97.798 + 90.393 -67.880 127.382-140.632 + 107.207 -70.785 180.000 180.000 + 99.727 -23.805 180.000 180.000 + 93.513 103.530 135.363-159.053 + 93.561 87.838 116.602 -75.931 + 125.188 -90.342 120.715 -78.004 + 95.334 91.327 180.000 180.000 + 133.038 -74.058 140.625-128.262 + 120.160-112.426 110.228-116.190 + 120.428-136.112 110.244-109.183 + 118.198-118.689 120.370-124.695 + 121.892 0.000 121.545 -81.076 + # 94 total E -8.75730E+01 rmsd from N 1.748 %NC 0.60 1 + 93.929 123.643 145.752 -7.297 + 91.545 88.264 135.083 -23.810 + 91.543 45.060 124.448 105.661 + 90.118 44.999 142.248 -87.960 + 89.927 45.883 119.332-126.423 + 90.038 48.315 157.357 43.447 + 90.601 49.463 143.206-179.490 + 92.018 74.793 136.825-132.350 + 90.379 -68.057 137.006-123.310 + 102.050 -64.789 180.000 180.000 + 98.877 -32.435 180.000 180.000 + 92.567 103.205 133.924-160.071 + 94.865 124.142 113.094 -77.206 + 104.084 -87.776 116.250 -76.098 + 94.685 65.855 180.000 180.000 + 131.887 -81.217 107.962 -60.658 + 117.755-104.580 124.279-132.587 + 118.641-134.927 110.154-110.251 + 118.405-118.629 118.105-122.378 + 121.876 0.000 121.532 -81.057 + # 95 total E -8.71046E+01 rmsd from N 2.805 %NC 0.47 1 + 115.640 -48.129 148.355 -19.299 + 91.541 74.408 137.240 -42.920 + 91.902 43.778 124.583 122.422 + 90.807 47.688 144.096 -95.413 + 89.713 43.405 124.433-108.265 + 90.843 50.392 156.535 -12.608 + 90.702 44.228 136.302-173.482 + 91.747 74.084 106.633 -98.309 + 90.520 -63.973 127.029-143.477 + 106.226 -69.185 180.000 180.000 + 100.004 -27.074 180.000 180.000 + 93.176 103.176 135.572-161.098 + 93.877 91.187 114.638 -76.662 + 126.979 -85.782 122.144 -77.644 + 95.448 90.111 180.000 180.000 + 130.560 -76.033 140.046-133.491 + 120.739-116.539 109.216-114.590 + 120.217-136.456 109.582-108.703 + 117.950-118.751 122.092-126.771 + 121.890 0.000 121.577 -81.055 + # 96 total E -8.78264E+01 rmsd from N 3.290 %NC 0.47 1 + 93.872 113.048 146.488 -10.372 + 91.428 76.409 125.174 -36.304 + 93.175 35.166 141.246 118.261 + 92.676 53.427 140.391 -87.649 + 90.299 38.513 121.234-122.844 + 90.959 59.833 127.171 -42.321 + 90.062 43.911 145.140 171.822 + 91.430 73.898 92.210 -77.408 + 90.967 -60.597 137.630-137.800 + 108.690 -68.338 180.000 180.000 + 100.494 -29.569 180.000 180.000 + 93.039 104.409 108.744 -89.994 + 93.095 89.072 112.840 -77.407 + 119.158 -75.926 116.056 -83.543 + 94.823 94.893 180.000 180.000 + 134.400 -63.147 133.576-146.997 + 119.563-109.011 107.094-112.951 + 118.257-141.274 108.560-108.328 + 116.553-118.544 131.559-143.629 + 121.733 0.000 121.644 -80.723 + # 97 total E -8.97809E+01 rmsd from N 2.762 %NC 0.60 1 + 93.870 103.876 146.204 -10.541 + 91.421 71.584 137.477 -39.697 + 91.654 44.597 125.408 121.261 + 90.596 46.996 145.536 -96.132 + 89.817 45.118 121.826-113.985 + 91.108 48.457 155.811 -5.827 + 90.768 44.858 136.351-153.886 + 91.832 73.586 108.551 -97.900 + 90.387 -67.972 127.505-140.454 + 107.195 -70.803 180.000 180.000 + 99.706 -23.767 180.000 180.000 + 93.527 103.534 135.293-158.937 + 93.566 87.758 116.629 -75.922 + 125.350 -90.425 120.606 -77.964 + 95.316 91.199 180.000 180.000 + 132.967 -73.892 140.931-127.508 + 120.196-112.330 110.270-116.256 + 120.419-136.187 110.212-109.115 + 118.171-118.692 120.550-125.004 + 121.891 0.000 121.548 -81.074 + # 98 total E -8.72116E+01 rmsd from N 2.005 %NC 0.67 1 + 93.987 126.029 142.594 -2.537 + 91.454 89.543 135.743 -18.006 + 91.160 46.916 126.101 98.387 + 90.055 44.702 147.829 -91.061 + 90.079 46.656 121.594-128.506 + 90.283 50.504 158.745 39.991 + 90.409 41.778 145.208-129.804 + 92.072 68.766 131.683-135.350 + 91.125 -60.937 136.493-118.419 + 113.760 -63.519 180.000 180.000 + 101.070 -21.978 180.000 180.000 + 93.262 94.981 95.821 -83.452 + 122.124 144.215 118.183 -80.583 + 94.865 -75.328 113.541 -77.411 + 93.408 64.553 180.000 180.000 + 129.294 -76.929 88.597 -63.991 + 118.026-105.257 125.050-132.914 + 120.417-115.944 109.285-109.229 + 118.484-118.554 114.372-118.519 + 121.873 0.000 121.495 -81.066 + # 99 total E -8.72045E+01 rmsd from N 2.497 %NC 0.53 1 + 93.702 41.686 109.222 -81.336 + 91.943 93.972 138.433 -17.622 + 90.719 47.848 127.618 114.699 + 89.514 43.601 148.337 -91.737 + 89.549 47.901 123.655-132.761 + 89.469 51.860 158.763 34.384 + 90.164 41.951 139.255-152.210 + 92.187 73.446 129.204-134.375 + 91.086 -60.027 135.551-131.407 + 106.076 -65.908 180.000 180.000 + 102.491 -35.264 180.000 180.000 + 92.646 99.069 138.788-167.755 + 93.311 105.928 111.209 -78.869 + 95.689 -84.653 127.678-179.024 + 96.645 91.695 180.000 180.000 + 130.006 -86.249 136.560 -41.587 + 120.651-111.061 118.334-122.256 + 119.438-117.420 111.119-111.300 + 118.116-118.671 118.959-123.505 + 121.893 0.000 121.533 -81.085 + # 100 total E -8.73846E+01 rmsd from N 2.069 %NC 0.60 1 + 93.709 57.138 110.016 -80.732 + 91.710 88.583 134.196 -21.589 + 90.895 46.041 100.579 -87.246 + 89.744 43.529 150.103 -98.587 + 90.881 44.371 121.133-127.086 + 91.484 44.176 140.446 85.871 + 91.604 44.713 130.565-137.264 + 93.256 74.640 140.647-133.799 + 91.157 -70.281 142.830-139.805 + 105.893 -53.013 180.000 180.000 + 111.737 -64.418 180.000 180.000 + 93.108 75.599 136.849-164.736 + 92.880 113.648 114.162 -76.902 + 121.107 -89.725 124.625-134.836 + 95.447 74.678 180.000 180.000 + 119.233 -75.411 135.946 -48.214 + 119.329-117.938 107.070-107.635 + 118.492-115.975 141.753-156.762 + 117.674-118.301 123.692-128.445 + 121.865 0.000 121.420 -81.090 + # 101 total E -8.69698E+01 rmsd from N 2.854 %NC 0.47 1 + 115.537 170.924 151.677 -13.597 + 91.634 76.793 137.641 -40.867 + 91.336 45.918 126.891 119.881 + 90.196 47.959 143.395 -91.311 + 89.465 43.401 119.567-123.940 + 90.126 49.595 155.028 -8.083 + 90.652 43.375 134.942 179.981 + 91.896 70.765 135.299-132.618 + 91.187 -62.440 134.146-120.224 + 111.583 -61.063 180.000 180.000 + 114.354 -51.856 180.000 180.000 + 92.719 79.981 105.329-100.437 + 93.300 105.054 112.331 -77.206 + 124.797 -73.076 121.484 -84.078 + 94.716 79.735 180.000 180.000 + 126.157 -65.143 151.337-125.608 + 120.247-112.302 107.482-111.892 + 120.660-137.240 111.569-110.749 + 117.836-118.774 122.657-128.548 + 121.887 0.000 121.589 -81.043 + # 102 total E -8.71202E+01 rmsd from N 2.745 %NC 0.47 1 + 93.906 121.866 145.512 -9.571 + 91.621 90.289 137.637 -13.596 + 90.386 46.822 92.053 -80.040 + 89.934 44.399 145.483-100.996 + 89.037 50.538 126.217-127.611 + 89.426 54.913 153.718 -22.460 + 89.751 40.665 135.863-160.248 + 91.790 74.526 105.216-107.658 + 90.679 -58.430 134.432-133.646 + 106.971 -69.825 180.000 180.000 + 100.631 -25.885 180.000 180.000 + 93.329 105.911 141.177-170.327 + 94.419 111.357 115.208 -76.430 + 117.264 -93.004 140.979 -39.061 + 95.457 73.970 180.000 180.000 + 129.355 -72.629 111.614 -55.561 + 116.564 -99.373 125.999-135.059 + 118.603-138.098 107.845-107.195 + 117.815-118.361 122.931-131.716 + 121.826 0.000 121.500 -80.973 + # 103 total E -8.77749E+01 rmsd from N 1.925 %NC 0.53 1 + 93.861 116.999 147.098 -12.442 + 91.564 84.042 136.256 -26.616 + 91.527 44.668 124.653 109.424 + 90.260 44.450 142.707 -89.359 + 89.935 45.142 118.659-123.199 + 90.211 48.437 161.730 36.539 + 90.635 47.235 143.196-177.097 + 91.913 74.297 135.834-130.939 + 90.445 -67.242 132.568-132.265 + 102.993 -65.011 180.000 180.000 + 99.495 -33.553 180.000 180.000 + 92.559 101.875 134.058-160.575 + 94.675 115.663 111.660 -77.483 + 120.368 -89.089 121.787 -79.798 + 95.395 71.152 180.000 180.000 + 129.635 -88.479 114.184 -99.610 + 118.996-108.026 120.560-128.096 + 117.951-137.652 108.815-109.169 + 117.429-118.737 125.388-132.597 + 121.846 0.000 121.621 -80.945 + # 104 total E -8.74625E+01 rmsd from N 1.751 %NC 0.67 1 + 93.970 126.301 143.630 -2.535 + 91.461 89.367 134.976 -20.405 + 91.389 44.396 124.057 103.377 + 89.985 46.692 144.645 -90.085 + 90.124 46.061 121.055-129.804 + 90.610 45.916 153.920 36.514 + 91.031 44.416 143.342-146.986 + 92.273 72.017 137.803-133.697 + 91.198 -71.465 136.280-115.204 + 111.406 -53.010 180.000 180.000 + 117.324 -61.972 180.000 180.000 + 93.434 65.690 131.372-156.187 + 93.027 145.196 111.083 108.611 + 95.237 -69.736 118.091-151.566 + 93.872 62.322 180.000 180.000 + 124.285 -87.015 104.888 -57.512 + 118.611-105.113 120.494-125.719 + 119.238-131.764 113.855-115.816 + 118.837-118.460 114.498-117.212 + 121.851 0.000 121.476 -81.035 + # 105 total E -8.77721E+01 rmsd from N 3.220 %NC 0.53 1 + 93.951 121.718 142.998 -8.451 + 91.556 89.410 136.116 -13.007 + 90.865 44.323 138.512 110.847 + 90.456 46.963 143.781 -90.694 + 89.713 46.089 122.895-133.164 + 89.976 48.569 139.721 -15.436 + 90.562 47.690 141.895-155.369 + 92.240 80.986 134.395-124.404 + 90.924 -61.511 102.216 -76.151 + 108.707 -52.847 180.000 180.000 + 92.524 -35.525 180.000 180.000 + 94.876 145.956 107.373-100.350 + 92.935 96.232 112.816 -76.614 + 131.646 -90.115 119.958 -83.715 + 94.728 87.297 180.000 180.000 + 129.384 -62.470 138.165 -60.160 + 118.661-106.961 103.421-104.453 + 118.223-138.554 109.427-110.110 + 117.355-118.597 126.095-135.296 + 121.825 0.000 121.588 -80.922 + # 106 total E -8.72589E+01 rmsd from N 2.559 %NC 0.60 1 + 115.328 162.801 147.716 -18.568 + 91.317 85.605 127.401 5.429 + 90.451 52.344 137.200 112.574 + 90.146 47.515 146.582 -93.857 + 89.468 44.542 127.712-144.215 + 89.748 51.440 145.358 -10.231 + 90.300 46.264 142.615-154.168 + 91.504 75.908 133.336-132.301 + 90.502 -56.805 129.586-140.077 + 107.491 -70.220 180.000 180.000 + 101.081 -28.439 180.000 180.000 + 92.643 101.070 139.381-167.672 + 93.090 106.982 113.669 -77.664 + 115.780 -89.478 128.094-143.164 + 94.900 80.354 180.000 180.000 + 128.263 -79.787 114.151-133.516 + 119.688-114.910 113.999-118.447 + 119.192-116.057 110.428-110.921 + 117.866-118.729 121.133-126.993 + 121.889 0.000 121.563 -81.062 + # 107 total E -8.82243E+01 rmsd from N 2.989 %NC 0.53 1 + 93.702 41.770 109.324 -81.454 + 91.976 95.323 137.787 -15.598 + 91.070 45.092 134.326 115.347 + 90.277 46.547 145.283 -91.991 + 89.507 45.862 124.422-135.827 + 89.611 49.996 146.842 -12.014 + 90.229 43.656 141.071-160.932 + 91.737 74.410 133.123-133.293 + 90.625 -56.440 133.368-133.467 + 109.260 -70.968 180.000 180.000 + 101.645 -26.757 180.000 180.000 + 92.786 99.696 139.392-167.176 + 92.739 104.044 114.577 -78.316 + 121.039 -84.865 128.650-151.319 + 95.517 77.919 180.000 180.000 + 128.355 -80.369 144.775 -40.201 + 119.679-111.614 113.287-116.294 + 119.585-134.587 110.153-110.467 + 118.355-118.703 119.012-123.214 + 121.891 0.000 121.543 -81.075 + # 108 total E -8.71106E+01 rmsd from N 2.786 %NC 0.53 1 + 93.704 38.431 108.907 -81.060 + 91.706 79.348 126.627 -26.691 + 92.732 35.811 146.940 115.717 + 92.207 55.402 138.840 -87.014 + 90.381 38.663 119.512-129.933 + 90.770 57.395 119.279 -43.290 + 89.871 46.432 152.742-174.459 + 90.922 69.805 89.940 -73.322 + 90.407 -69.147 138.174-128.132 + 112.373 -75.167 180.000 180.000 + 102.119 -21.311 180.000 180.000 + 92.924 98.905 138.636-163.544 + 92.937 71.832 115.396 -76.326 + 94.211 -95.438 108.869 -85.451 + 93.899 144.345 180.000 180.000 + 137.334 -78.807 147.330 158.063 + 115.782-103.767 112.818-122.434 + 118.566-142.082 106.960-105.393 + 116.824-118.437 131.313-145.075 + 121.765 0.000 121.588 -80.781 + # 109 total E -8.75850E+01 rmsd from N 2.588 %NC 0.60 1 + 93.930 121.243 143.948 -9.027 + 91.198 87.938 131.096 -0.643 + 90.457 49.095 136.499 111.124 + 89.947 47.038 148.814 -94.906 + 89.759 45.837 127.062-140.859 + 90.519 48.119 142.622 -7.679 + 90.789 42.428 138.420-134.172 + 92.307 74.906 135.012-135.036 + 91.549 -63.201 135.311-118.886 + 115.018 -49.557 180.000 180.000 + 121.011 -56.620 180.000 180.000 + 93.626 69.711 140.587-166.956 + 92.445 127.357 122.467 130.993 + 94.871 -70.004 120.904-148.058 + 94.788 73.969 180.000 180.000 + 128.174 -81.781 137.143 -49.129 + 119.954-111.842 112.117-114.125 + 119.369-116.024 117.692-120.754 + 118.169-118.600 118.205-122.547 + 121.888 0.000 121.509 -81.088 + # 110 total E -8.77830E+01 rmsd from N 2.477 %NC 0.53 1 + 93.856 98.303 146.495 -12.627 + 91.399 70.314 138.007 -41.581 + 90.715 50.427 124.105 112.382 + 89.408 45.661 145.898 -91.379 + 89.782 45.579 117.961-122.162 + 90.612 49.705 151.199 30.538 + 90.437 41.468 138.190-153.275 + 92.096 67.763 132.847-134.684 + 91.301 -67.340 135.812-114.521 + 113.010 -62.576 180.000 180.000 + 119.043 -52.358 180.000 180.000 + 92.929 73.944 140.169-168.919 + 93.649 96.080 112.991 -76.236 + 115.955 -69.616 154.047 -90.495 + 97.089 80.715 180.000 180.000 + 131.286 -85.775 156.835-132.316 + 121.548-113.915 109.595-112.713 + 119.309-135.894 113.516-114.662 + 118.432-118.606 119.287-121.382 + 121.881 0.000 121.519 -81.069 + # 111 total E -8.74192E+01 rmsd from N 2.641 %NC 0.53 1 + 119.273-129.350 110.882 -81.029 + 91.706 77.649 134.398 -29.210 + 92.531 37.172 133.388 119.882 + 91.844 51.786 141.802 -89.861 + 90.239 39.846 118.917-125.581 + 90.900 53.878 138.486 -35.801 + 90.270 45.316 140.762-179.322 + 91.342 75.193 95.159 -74.352 + 90.212 -63.040 135.340-136.134 + 106.921 -70.498 180.000 180.000 + 100.365 -26.427 180.000 180.000 + 92.938 101.602 135.196-160.508 + 93.448 84.272 114.684 -76.659 + 95.700 -99.052 109.573 -82.936 + 94.096 135.444 180.000 180.000 + 132.250 -74.936 149.683 175.263 + 117.088-110.058 109.241-116.424 + 120.888-138.092 110.745-108.993 + 117.540-118.726 125.213-132.738 + 121.858 0.000 121.604 -80.979 + # 112 total E -8.72062E+01 rmsd from N 1.832 %NC 0.60 1 + 93.854 107.949 147.076 -11.849 + 91.539 78.914 136.245 -28.959 + 91.724 44.567 127.237 111.378 + 90.454 44.067 141.580 -92.546 + 89.890 46.003 117.560-120.493 + 90.276 49.155 169.308 22.787 + 90.595 50.153 142.085-177.114 + 92.113 73.580 118.124-107.204 + 91.222 -68.560 91.393 -72.843 + 101.135 -61.923 180.000 180.000 + 100.159 -30.032 180.000 180.000 + 92.631 104.557 134.210-160.194 + 93.499 128.349 113.394 -76.783 + 93.978 -83.609 111.685 -79.412 + 94.521 68.046 180.000 180.000 + 135.534 -77.210 111.701 -87.956 + 118.218-102.132 121.946-130.085 + 117.234-136.159 109.612-110.632 + 118.055-118.733 120.843-127.253 + 121.879 0.000 121.578 -81.032 + # 113 total E -8.87927E+01 rmsd from N 2.100 %NC 0.53 1 + 116.767-178.156 115.022 -81.697 + 91.519 85.097 127.172 -26.759 + 91.622 43.949 94.975 -85.367 + 90.701 44.680 149.556 -94.953 + 90.305 42.907 117.656-122.546 + 91.171 48.410 155.217 32.943 + 90.823 44.247 131.084-154.380 + 92.031 71.375 137.470-133.017 + 90.865 -65.889 134.820-125.251 + 110.016 -67.519 180.000 180.000 + 112.451 -56.123 180.000 180.000 + 92.477 76.361 139.931-169.232 + 92.676 107.863 112.940 -76.390 + 124.247 -87.290 117.398 -84.850 + 94.745 73.930 180.000 180.000 + 126.731 -73.549 140.234 -62.424 + 119.746-111.382 107.837-110.370 + 119.235-137.721 111.975-112.971 + 117.494-118.308 125.195-132.169 + 121.821 0.000 121.485 -80.972 + # 114 total E -8.71947E+01 rmsd from N 3.209 %NC 0.47 1 + 93.871 113.069 145.728 -14.448 + 91.722 88.331 137.204 -14.171 + 91.954 41.966 175.528 177.703 + 89.725 48.831 132.880 -86.784 + 89.093 53.824 117.688-135.002 + 88.558 58.428 118.531 -52.788 + 89.468 43.093 152.661-174.764 + 91.731 72.962 88.524 -68.996 + 91.041 -57.987 145.472-121.641 + 108.866 -71.129 180.000 180.000 + 101.825 -23.595 180.000 180.000 + 93.461 107.209 135.382-160.635 + 93.319 93.761 115.030 -76.175 + 112.815 -86.237 119.680 -72.778 + 95.956 93.544 180.000 180.000 + 134.838 -76.088 155.192 -28.405 + 120.892-108.826 104.875-103.844 + 118.296-138.636 107.648-107.825 + 117.388-118.781 126.529-136.339 + 121.846 0.000 121.634 -80.939 + # 115 total E -8.86438E+01 rmsd from N 2.083 %NC 0.67 1 + 112.378 156.768 150.197 -39.892 + 91.997 84.004 132.582 -20.458 + 91.404 42.770 102.021 -84.327 + 90.551 45.161 150.345 -94.416 + 90.344 43.220 118.108-125.921 + 90.886 49.085 151.382 39.158 + 90.410 43.226 129.959-154.510 + 91.796 70.801 136.758-137.936 + 90.939 -66.110 141.169 -41.024 + 110.831 -68.979 180.000 180.000 + 113.087 -60.483 180.000 180.000 + 92.459 71.374 139.801-169.464 + 92.574 105.568 113.198 -76.340 + 128.788 -86.262 117.049 -86.993 + 94.996 72.740 180.000 180.000 + 124.226 -76.149 140.760 -57.037 + 119.822-112.274 109.110-111.771 + 119.580-137.450 112.191-112.910 + 117.576-118.315 124.674-130.922 + 121.856 0.000 121.497 -81.020 + # 116 total E -8.83451E+01 rmsd from N 2.081 %NC 0.47 1 + 114.341 172.044 150.491-103.455 + 91.045 74.730 127.471 -16.876 + 90.932 45.176 93.306 -84.878 + 90.508 43.620 146.489 -97.548 + 90.296 43.659 117.257-122.580 + 91.113 47.942 155.737 31.175 + 90.753 44.903 131.185-155.530 + 91.993 71.242 136.294-133.246 + 90.854 -66.355 135.422-121.176 + 109.764 -67.118 180.000 180.000 + 112.511 -54.730 180.000 180.000 + 92.510 77.823 140.049-169.265 + 92.718 107.959 112.849 -76.411 + 123.748 -87.724 117.432 -84.522 + 94.714 74.263 180.000 180.000 + 127.258 -72.967 139.842 -65.116 + 119.743-111.073 107.736-110.378 + 119.089-137.874 111.861-112.917 + 117.444-118.307 125.534-132.849 + 121.776 0.000 121.456 -80.942 + # 117 total E -9.02355E+01 rmsd from N 2.095 %NC 0.53 1 + 93.879 122.540 147.437 -8.679 + 91.373 84.314 126.970 -25.830 + 91.414 44.416 94.450 -85.485 + 90.671 44.439 148.604 -95.354 + 90.321 43.021 117.626-122.687 + 91.193 48.302 155.156 32.915 + 90.817 44.337 131.147-154.823 + 92.020 71.249 137.181-132.956 + 90.876 -65.955 134.734-125.113 + 110.082 -67.617 180.000 180.000 + 112.531 -56.053 180.000 180.000 + 92.476 76.307 139.966-169.266 + 92.667 107.764 112.938 -76.388 + 124.285 -87.356 117.352 -84.866 + 94.740 73.996 180.000 180.000 + 126.771 -73.495 140.340 -62.254 + 119.755-111.381 107.703-110.184 + 119.207-137.758 111.982-113.004 + 117.474-118.311 125.323-132.375 + 121.819 0.000 121.487 -80.968 + # 118 total E -8.77879E+01 rmsd from N 2.770 %NC 0.47 1 + 93.824 98.738 148.423 -13.757 + 91.605 77.612 131.076 -33.145 + 92.279 42.520 174.454 175.076 + 90.433 54.879 131.221 -83.992 + 89.718 46.196 118.641-133.371 + 89.500 61.402 108.976 -55.667 + 89.613 47.421 157.993-179.608 + 91.293 71.857 87.300 -74.315 + 90.993 -60.862 144.088-131.168 + 109.713 -70.950 180.000 180.000 + 102.069 -26.553 180.000 180.000 + 92.540 102.043 138.777-165.920 + 92.887 77.421 113.592 -76.886 + 93.470 -94.423 108.855 -85.745 + 93.939 151.817 180.000 180.000 + 138.777 -82.933 143.718 145.787 + 116.033-104.560 116.651-128.380 + 120.666-141.948 106.178-102.989 + 116.828-118.706 130.876-143.984 + 121.779 0.000 121.664 -80.793 + # 119 total E -8.76755E+01 rmsd from N 2.756 %NC 0.60 1 + 93.886 114.227 145.256 -13.011 + 91.287 85.371 130.495 -3.705 + 91.380 42.850 140.667 114.984 + 90.240 52.946 139.418 -88.626 + 89.292 46.033 122.969-139.984 + 89.364 54.164 131.210 -30.535 + 89.849 46.187 146.674-173.813 + 91.365 79.167 89.200 -68.825 + 90.355 -58.932 138.448-125.356 + 105.652 -69.398 180.000 180.000 + 99.969 -25.268 180.000 180.000 + 93.381 104.090 132.546-156.099 + 93.219 105.837 115.666 -76.164 + 95.913 -89.229 113.993 -75.187 + 95.009 95.060 180.000 180.000 + 136.254 -70.292 143.073 -63.440 + 120.033-106.525 106.605-108.497 + 117.396-138.619 107.879-108.637 + 117.494-118.660 125.862-135.812 + 121.826 0.000 121.611 -80.911 + # 120 total E -8.88539E+01 rmsd from N 2.103 %NC 0.60 1 + 112.146 157.365 151.828 -39.527 + 92.040 82.497 131.140 -25.465 + 91.804 42.250 101.496 -83.021 + 91.003 44.798 150.273 -95.268 + 90.391 42.667 117.724-121.684 + 91.194 48.524 156.327 34.123 + 90.831 44.422 131.186-152.826 + 92.078 71.848 137.849-133.201 + 90.832 -66.137 135.583-123.727 + 109.308 -66.243 180.000 180.000 + 111.961 -55.568 180.000 180.000 + 92.517 78.044 139.919-169.190 + 92.792 108.551 112.887 -76.429 + 123.440 -87.331 117.751 -84.447 + 94.769 73.709 180.000 180.000 + 126.912 -73.847 139.005 -65.570 + 119.631-111.215 108.929-111.974 + 119.463-137.387 111.888-112.689 + 117.642-118.278 124.156-130.457 + 121.830 0.000 121.465 -81.001 + # 121 total E -8.81564E+01 rmsd from N 2.845 %NC 0.67 1 + 93.855 94.792 146.364 -13.845 + 91.419 74.245 142.337-106.752 + 90.674 58.746 135.849 113.344 + 89.126 50.177 144.408 -96.587 + 89.215 44.790 122.842 -93.308 + 90.541 52.152 156.043 -9.874 + 90.516 40.806 134.785-166.845 + 91.869 73.203 102.070 -98.059 + 90.861 -59.298 130.786-137.511 + 109.004 -70.203 180.000 180.000 + 101.287 -26.341 180.000 180.000 + 93.079 100.021 139.090-166.431 + 93.350 105.633 115.335 -78.736 + 126.095 -87.274 133.125-160.505 + 95.773 74.662 180.000 180.000 + 124.054 -79.683 132.406 -93.181 + 119.971-110.544 116.988-122.881 + 119.581-134.192 109.233-108.844 + 118.404-118.697 118.516-122.823 + 121.891 0.000 121.543 -81.076 + # 122 total E -8.75581E+01 rmsd from N 2.141 %NC 0.67 1 + 93.896 118.300 145.438 -10.857 + 91.565 83.196 132.442 -16.644 + 92.673 37.137 176.423-179.238 + 91.440 51.602 141.195 -96.542 + 90.453 41.530 115.773-131.031 + 91.048 49.594 151.867 36.025 + 90.463 41.990 133.919-161.896 + 91.890 71.651 136.470-136.626 + 90.916 -65.770 140.775 -45.181 + 111.139 -71.140 180.000 180.000 + 112.715 -58.521 180.000 180.000 + 92.530 72.706 139.942-169.377 + 92.660 104.989 113.100 -76.353 + 128.794 -87.397 117.713 -86.906 + 95.059 72.972 180.000 180.000 + 124.786 -74.689 140.944 -58.138 + 119.514-111.319 108.546-111.277 + 119.621-142.304 112.163-112.895 + 118.775-105.454 125.298-131.321 + 120.362 0.000 118.289 -79.950 + # 123 total E -8.76204E+01 rmsd from N 2.876 %NC 0.47 1 + 93.702 41.933 109.387 -81.509 + 91.995 97.504 137.491 -14.335 + 90.900 46.151 135.380 113.959 + 90.065 45.939 145.326 -92.054 + 89.392 47.206 125.515-138.962 + 89.466 49.345 146.138 -8.907 + 90.202 45.356 140.852-158.526 + 91.733 76.417 133.129-132.567 + 90.430 -58.222 131.867-138.661 + 106.427 -71.038 180.000 180.000 + 100.791 -28.704 180.000 180.000 + 92.981 103.189 137.995-165.416 + 94.188 94.586 113.261 -77.064 + 126.069 -80.645 127.653 -78.061 + 96.463 81.562 180.000 180.000 + 128.595 -83.613 146.384 -31.868 + 119.874-112.891 111.929-113.568 + 119.791-134.495 110.194-110.406 + 118.379-118.684 118.921-122.929 + 121.888 0.000 121.535 -81.077 + # 124 total E -8.70608E+01 rmsd from N 2.775 %NC 0.67 1 + 115.829 174.979 152.225 -12.186 + 91.715 74.794 131.835 -65.653 + 91.855 59.261 123.645 119.187 + 89.818 49.838 145.503 -96.934 + 89.688 43.488 119.691-113.668 + 91.264 51.400 162.143 0.125 + 90.756 39.751 130.164-170.931 + 92.234 73.480 103.321 -96.431 + 91.005 -61.640 130.700-136.113 + 107.729 -68.819 180.000 180.000 + 101.313 -27.993 180.000 180.000 + 93.239 99.392 133.407-158.385 + 93.900 108.901 114.023 -78.993 + 131.206 -96.622 134.363-156.312 + 95.334 81.175 180.000 180.000 + 125.501 -66.755 132.341 -80.833 + 119.466-111.793 110.489-116.358 + 120.069-135.886 111.618-111.130 + 118.283-118.662 119.986-123.836 + 121.888 0.000 121.536 -81.074 + # 125 total E -8.77464E+01 rmsd from N 2.832 %NC 0.53 1 + 93.854 101.283 146.924 -11.968 + 91.463 75.107 139.275 -33.743 + 90.825 46.067 127.731 119.088 + 89.871 47.940 141.842 -90.870 + 89.420 44.375 119.908-126.095 + 90.141 47.622 152.347 -5.605 + 91.057 43.515 134.182-179.675 + 92.754 65.275 136.525-132.690 + 91.983 -57.622 120.357 -83.074 + 116.986 -64.834 180.000 180.000 + 118.216 -56.979 180.000 180.000 + 92.650 70.453 102.716 -98.620 + 92.953 106.634 112.943 -77.126 + 127.054 -71.575 120.880 -87.290 + 94.697 77.154 180.000 180.000 + 124.314 -63.392 154.551-126.188 + 120.196-111.328 107.693-112.043 + 120.626-137.424 111.937-111.051 + 117.729-118.763 123.288-129.296 + 121.882 0.000 121.591 -81.032 + # 126 total E -8.93115E+01 rmsd from N 2.922 %NC 0.60 1 + 93.865 103.380 146.414 -10.866 + 91.437 71.996 136.795 -38.528 + 91.538 45.238 127.228 120.223 + 90.563 46.662 145.077 -95.539 + 89.594 45.250 122.293-112.308 + 90.700 51.452 157.456 -6.911 + 90.573 44.067 137.106-163.455 + 91.811 74.515 106.451-101.168 + 90.578 -64.408 127.863-141.816 + 105.295 -66.810 180.000 180.000 + 98.518 -29.322 180.000 180.000 + 93.349 105.834 112.420-101.835 + 93.781 92.694 114.747 -76.938 + 123.805 -84.768 119.143 -78.190 + 94.845 87.796 180.000 180.000 + 131.947 -64.335 137.997-123.355 + 119.346-109.879 108.868-114.587 + 120.719-136.813 110.731-109.633 + 118.034-118.705 121.406-127.197 + 121.890 0.000 121.557 -81.067 + # 127 total E -8.73644E+01 rmsd from N 2.465 %NC 0.60 1 + 93.890 117.112 145.341 -12.467 + 91.271 86.561 127.997 -2.493 + 90.451 49.898 137.868 112.504 + 90.139 48.837 146.161 -92.963 + 89.640 44.589 126.169-139.461 + 90.071 48.691 140.865 -15.330 + 90.850 46.567 140.855-146.533 + 92.365 68.386 136.934-132.276 + 91.545 -56.652 113.721 -80.044 + 114.078 -72.400 180.000 180.000 + 117.127 -41.843 180.000 180.000 + 92.499 79.872 139.995-168.409 + 91.887 112.368 112.822 -76.862 + 112.837 -81.590 122.083-136.977 + 94.675 74.878 180.000 180.000 + 127.754 -81.594 118.791-134.082 + 120.191-113.975 114.617-118.994 + 119.252-116.412 110.944-111.470 + 117.896-118.713 120.861-126.384 + 121.887 0.000 121.565 -81.064 + # 128 total E -8.71636E+01 rmsd from N 2.108 %NC 0.53 1 + 93.863 118.458 147.138 -12.654 + 91.347 86.621 130.120 -6.501 + 90.110 50.579 91.235 -87.206 + 89.692 44.172 148.135 -97.140 + 89.679 44.844 123.963-133.212 + 90.209 49.202 155.450 24.469 + 90.368 45.635 128.205-161.901 + 92.034 77.509 134.626-132.608 + 90.273 -60.683 135.506-132.603 + 103.323 -67.820 180.000 180.000 + 98.730 -32.277 180.000 180.000 + 92.836 103.305 139.164-168.002 + 93.691 115.213 114.098 -78.201 + 114.544 -92.860 123.393-147.867 + 95.110 69.108 180.000 180.000 + 128.814 -75.957 109.142 -50.467 + 116.318-101.396 131.338-142.228 + 120.541-136.491 108.821-107.522 + 118.295-118.120 118.319-122.852 + 121.831 0.000 121.404 -81.037 + # 129 total E -8.73606E+01 rmsd from N 2.807 %NC 0.67 1 + 93.968 124.155 142.887 -5.450 + 91.532 88.586 137.488 -16.656 + 91.116 44.813 133.184 115.023 + 90.541 45.959 148.388 -98.176 + 89.833 46.784 124.955-123.906 + 90.530 52.087 151.298 -11.838 + 90.511 40.190 138.063-142.956 + 92.197 72.974 105.622-100.736 + 91.752 -65.560 134.892-123.262 + 113.622 -50.417 180.000 180.000 + 121.225 -55.954 180.000 180.000 + 93.932 72.134 137.781-161.566 + 92.188 121.546 123.047 136.329 + 93.810 -65.479 123.135-153.291 + 95.438 75.367 180.000 180.000 + 129.067 -85.451 141.608 -40.115 + 120.862-107.919 113.950-115.659 + 119.643-132.244 117.539-120.224 + 118.928-118.451 114.577-116.525 + 121.853 0.000 121.466 -81.043 + # 130 total E -8.71799E+01 rmsd from N 2.602 %NC 0.47 1 + 93.937 124.318 144.714 -5.999 + 91.534 89.349 135.640 -21.276 + 91.402 44.676 127.386 103.211 + 90.142 46.191 142.627 -90.630 + 89.682 45.556 120.442-129.106 + 90.065 48.405 156.790 16.597 + 90.578 43.932 143.723 179.111 + 91.899 72.276 134.626-131.871 + 90.759 -63.042 132.183-131.113 + 108.487 -69.388 180.000 180.000 + 101.149 -27.725 180.000 180.000 + 92.816 99.454 138.367-165.499 + 93.531 117.242 114.981 -78.843 + 120.062 -84.051 129.122-165.932 + 95.353 66.358 180.000 180.000 + 123.378 -88.385 110.862 -58.382 + 118.335-108.736 121.345-128.411 + 118.734-137.757 108.521-108.264 + 117.298-118.780 126.016-133.861 + 121.840 0.000 121.639 -80.924 + # 131 total E -8.70445E+01 rmsd from N 2.358 %NC 0.53 1 + 93.850 120.803 148.594 -10.658 + 91.432 82.532 126.433 -31.669 + 91.731 44.080 90.800 -82.477 + 91.002 44.804 147.456-100.492 + 89.892 42.357 119.117-115.970 + 90.908 54.174 160.440 -8.672 + 90.461 41.135 129.979-169.712 + 91.518 68.653 103.488-100.279 + 91.533 -65.199 131.758-127.513 + 114.359 -50.515 180.000 180.000 + 118.381 -65.470 180.000 180.000 + 93.338 64.386 108.430-105.180 + 93.313 127.893 112.951 123.453 + 114.805 -77.059 123.194-136.038 + 93.901 72.374 180.000 180.000 + 124.972 -64.603 133.176 -80.536 + 119.484-106.739 110.642-114.727 + 118.980-137.672 112.958-113.678 + 117.380-118.383 125.816-133.387 + 121.824 0.000 121.509 -80.966 + # 132 total E -8.74360E+01 rmsd from N 2.156 %NC 0.67 1 + 112.334 157.367 151.386 -38.655 + 91.974 82.765 129.892 -22.916 + 91.721 42.395 102.357 -84.774 + 90.985 44.766 150.934 -95.458 + 90.616 42.791 117.061-123.319 + 91.478 48.245 149.693 38.087 + 91.046 43.884 132.324-144.727 + 92.193 72.346 137.997-132.369 + 91.287 -67.073 133.938-131.794 + 112.438 -58.944 180.000 180.000 + 114.651 -62.849 180.000 180.000 + 93.383 66.625 139.714-168.135 + 93.574 113.402 109.071 61.027 + 119.174 -81.615 118.432 -83.956 + 94.525 71.535 180.000 180.000 + 124.980 -75.339 139.494 -57.138 + 119.852-111.417 109.024-111.448 + 119.780-136.765 112.887-113.689 + 117.846-118.300 122.869-128.711 + 121.845 0.000 121.454 -81.036 + # 133 total E -8.72632E+01 rmsd from N 2.115 %NC 0.67 1 + 93.853 114.897 146.933 -12.051 + 91.533 81.466 137.926 -28.297 + 91.339 44.581 125.179 115.365 + 90.334 44.625 145.385 -93.004 + 90.034 45.554 119.379-121.812 + 90.693 45.543 165.386 21.308 + 91.456 45.387 140.715-146.431 + 93.030 62.795 137.916-132.629 + 92.178 -66.630 118.295 -79.582 + 114.642 -57.764 180.000 180.000 + 118.900 -54.069 180.000 180.000 + 92.650 72.101 132.240-157.855 + 92.396 128.672 113.574 -76.974 + 120.305 -77.525 129.129-145.029 + 94.565 66.513 180.000 180.000 + 123.109 -89.429 120.757-103.542 + 119.640-109.313 119.197-125.781 + 118.564-137.411 108.985-109.190 + 117.454-118.777 125.353-132.271 + 121.848 0.000 121.631 -80.956 + # 134 total E -8.71219E+01 rmsd from N 2.600 %NC 0.67 1 + 93.851 106.705 146.402 -10.552 + 91.435 74.073 138.381 -37.077 + 91.360 44.506 126.829 121.111 + 90.584 48.220 146.647 -96.787 + 89.964 43.352 124.384-113.155 + 91.305 50.240 150.333 -13.256 + 90.958 41.282 137.917-148.180 + 92.156 72.367 104.630 -95.142 + 91.840 -68.222 133.028-127.117 + 115.370 -47.472 180.000 180.000 + 122.154 -55.807 180.000 180.000 + 93.892 68.177 138.330-163.429 + 92.642 125.536 123.367 132.697 + 96.729 -72.054 121.837-146.633 + 94.777 76.609 180.000 180.000 + 126.951 -79.802 129.309-125.188 + 120.217-112.616 112.563-116.681 + 119.148-117.215 117.238-119.723 + 118.020-118.637 119.840-124.141 + 121.837 0.000 121.533 -81.055 + # 135 total E -8.70853E+01 rmsd from N 2.759 %NC 0.60 1 + 93.853 97.206 146.703 -13.191 + 91.407 69.741 138.651 -45.623 + 91.509 47.805 168.106 13.737 + 89.737 47.339 141.584 -88.909 + 89.199 46.396 115.869-124.692 + 89.885 59.565 146.422 -92.821 + 90.054 39.852 149.210-178.033 + 91.882 68.821 105.149-107.359 + 91.633 -65.091 132.505-138.168 + 107.789 -63.331 180.000 180.000 + 101.052 -32.877 180.000 180.000 + 92.536 103.385 140.069-169.598 + 93.658 110.528 111.424 -77.486 + 129.118 -85.737 121.444 -82.274 + 95.156 84.215 180.000 180.000 + 128.709 -71.211 128.744-119.858 + 119.153-108.151 114.108-120.117 + 119.141-137.702 107.755-107.217 + 117.665-118.746 124.640-133.087 + 121.862 0.000 121.604 -80.986 + # 136 total E -8.77135E+01 rmsd from N 2.059 %NC 0.53 1 + 93.906 123.143 146.339 -7.918 + 91.360 86.372 129.391 -18.890 + 90.979 45.182 96.370 -87.489 + 90.181 45.188 148.575 -95.246 + 90.364 43.106 120.577-125.976 + 91.212 48.300 149.524 38.568 + 90.778 40.648 129.930-154.421 + 92.129 69.424 135.842-133.214 + 90.932 -64.975 133.374-125.416 + 111.921 -74.130 180.000 180.000 + 118.356 -65.527 180.000 180.000 + 92.559 65.669 139.132-168.745 + 92.074 100.140 113.364 -76.245 + 130.191 -86.932 114.278 -90.322 + 95.072 77.452 180.000 180.000 + 122.494 -77.541 113.605-133.722 + 119.443-113.238 109.411-112.428 + 119.499-138.379 111.273-111.671 + 117.183-118.256 127.193-135.377 + 121.746 0.000 121.544 -80.952 + # 137 total E -8.82134E+01 rmsd from N 2.578 %NC 0.60 1 + 93.896 117.353 144.997 -12.397 + 91.282 87.780 127.317 3.133 + 90.443 52.431 138.148 111.555 + 90.138 47.673 146.374 -93.349 + 89.452 44.599 127.773-144.987 + 89.711 51.517 144.589 -10.998 + 90.272 46.309 143.094-154.208 + 91.482 75.951 133.345-132.514 + 90.495 -56.584 129.903-139.838 + 107.626 -70.399 180.000 180.000 + 101.132 -28.330 180.000 180.000 + 92.639 101.037 139.423-167.696 + 93.073 106.764 113.689 -77.657 + 115.660 -89.452 128.090-143.133 + 94.897 80.652 180.000 180.000 + 128.307 -79.772 114.312-133.791 + 119.750-114.857 113.896-118.289 + 119.187-116.352 110.256-110.695 + 117.830-118.736 121.505-127.566 + 121.887 0.000 121.568 -81.055 + # 138 total E -8.81956E+01 rmsd from N 2.306 %NC 0.47 1 + 117.693 -96.953 147.343 -31.091 + 91.637 77.409 130.244 -27.837 + 91.882 43.466 96.323 -82.597 + 91.106 43.698 147.872-100.182 + 90.003 43.085 119.745-112.209 + 90.912 52.710 164.558 9.726 + 90.428 45.788 131.828-165.797 + 91.613 74.442 107.639-103.054 + 90.417 -65.070 130.001-137.699 + 103.339 -66.313 180.000 180.000 + 98.754 -31.907 180.000 180.000 + 92.861 104.282 139.914-168.567 + 94.439 102.826 113.480 -77.145 + 122.516 -95.032 120.217 -77.424 + 94.789 80.824 180.000 180.000 + 130.834 -69.482 128.856 -95.254 + 118.865-107.565 110.521-115.086 + 118.561-138.960 110.369-111.255 + 117.289-118.162 126.640-135.682 + 121.777 0.000 121.474 -80.892 + # 139 total E -8.74817E+01 rmsd from N 3.063 %NC 0.47 1 + 93.710 36.648 108.294 -80.514 + 91.646 73.244 136.001 -40.310 + 91.822 43.633 128.973 120.828 + 91.005 48.743 143.112 -93.929 + 89.606 41.927 126.664-102.864 + 90.574 53.727 153.781 -25.358 + 90.482 42.194 134.251 172.628 + 91.479 70.812 103.467 -98.634 + 91.373 -63.344 131.469-132.681 + 112.526 -57.132 180.000 180.000 + 111.767 -51.240 180.000 180.000 + 93.204 85.104 102.293 -64.460 + 94.034 103.476 112.846 -76.694 + 119.767 -68.402 122.195 -81.477 + 94.789 82.086 180.000 180.000 + 127.431 -66.164 142.721-142.551 + 120.309-112.899 107.865-112.789 + 120.706-138.158 110.036-108.664 + 117.494-118.786 124.514-131.491 + 121.866 0.000 121.615 -80.987 + # 140 total E -8.75923E+01 rmsd from N 2.434 %NC 0.73 1 + 93.869 106.315 146.389 -10.134 + 91.384 72.233 136.696 -42.349 + 92.148 41.584 128.360 120.371 + 91.098 48.930 144.532 -94.408 + 89.953 41.053 120.683-120.389 + 91.019 58.545 161.546 -84.237 + 90.349 38.132 141.698-173.832 + 91.929 68.703 102.066-101.591 + 91.569 -63.358 130.691-136.285 + 109.437 -66.218 180.000 180.000 + 102.589 -30.155 180.000 180.000 + 92.671 99.832 132.873-158.539 + 93.309 116.974 112.315 -78.794 + 124.581 -93.974 132.342-156.754 + 95.963 80.990 180.000 180.000 + 131.642 -85.496 123.476-117.845 + 119.763-111.185 114.551-120.107 + 118.758-139.920 108.604-108.328 + 116.656-118.567 130.998-141.657 + 121.745 0.000 121.644 -80.735 + # 141 total E -8.72138E+01 rmsd from N 3.012 %NC 0.67 1 + 115.629 172.461 151.993 -12.993 + 91.663 75.135 135.429 -43.847 + 91.929 45.489 126.171 120.537 + 90.778 46.079 146.988 -96.713 + 89.743 46.247 122.860-106.972 + 90.874 48.997 159.635 -3.236 + 90.927 49.181 136.251-151.413 + 92.445 73.762 110.846-102.971 + 91.477 -67.997 96.489 -72.686 + 108.913 -52.597 180.000 180.000 + 92.690 -35.960 180.000 180.000 + 96.032 136.575 109.191 -92.881 + 92.730 88.315 112.817 -76.891 + 135.704 -90.821 118.191 -82.419 + 94.340 88.259 180.000 180.000 + 127.568 -61.470 133.211-108.630 + 118.761-110.334 108.678-114.678 + 121.262-137.157 111.737-110.716 + 118.069-118.579 121.215-126.445 + 121.885 0.000 121.514 -81.080 + # 142 total E -8.70718E+01 rmsd from N 2.564 %NC 0.53 1 + 115.118 169.690 152.766 -15.512 + 91.580 75.576 139.475 -47.092 + 91.035 50.174 116.567 -65.432 + 90.423 50.093 151.069 -90.539 + 89.756 42.367 120.935-122.841 + 90.486 56.624 127.929 -92.646 + 90.018 40.222 132.569-164.456 + 92.407 66.470 130.303-136.557 + 91.502 -63.364 141.319-137.970 + 109.595 -65.618 180.000 180.000 + 100.785 -29.729 180.000 180.000 + 92.711 104.289 143.997-174.389 + 92.672 99.930 113.178 -77.018 + 123.546 -88.310 117.964 -84.139 + 95.687 82.836 180.000 180.000 + 132.360 -79.769 126.024-118.235 + 119.756-108.005 118.328-125.632 + 119.370-136.262 106.910-106.305 + 118.129-118.700 121.006-125.477 + 121.899 0.000 121.544 -81.091 + # 143 total E -8.74516E+01 rmsd from N 2.200 %NC 0.53 1 + 93.986 127.464 143.257 -0.094 + 91.420 89.099 136.672 -21.732 + 91.027 44.734 119.007 107.072 + 89.989 47.105 146.859 -90.814 + 90.113 46.227 121.254-130.548 + 90.303 49.451 147.594 38.256 + 90.356 42.649 138.685-148.716 + 92.204 71.152 134.033-135.260 + 91.074 -66.933 138.395-120.922 + 110.142 -66.100 180.000 180.000 + 120.247 -62.159 180.000 180.000 + 92.798 72.742 138.350-166.447 + 92.045 99.235 113.665 -76.842 + 107.582 -82.688 123.178-135.367 + 96.166 86.739 180.000 180.000 + 132.917 -64.386 160.350-118.050 + 122.326-139.774 104.801-105.703 + 119.455-111.951 113.896-115.089 + 116.984-118.535 129.785-138.687 + 121.773 0.000 121.598 -80.818 + # 144 total E -8.69618E+01 rmsd from N 2.594 %NC 0.60 1 + 114.894 171.101 154.538 -15.397 + 91.713 74.771 136.998 -48.166 + 91.157 50.044 121.083 114.934 + 89.627 45.875 146.183 -89.548 + 89.855 44.028 119.359-118.801 + 90.272 51.915 158.753 41.971 + 90.262 42.489 139.009-164.569 + 91.877 70.656 132.681-133.872 + 90.782 -63.031 134.568-130.122 + 107.544 -67.702 180.000 180.000 + 102.007 -33.062 180.000 180.000 + 92.409 99.000 140.471-169.598 + 93.568 91.548 111.800 -78.902 + 119.156 -84.848 138.603-165.043 + 96.623 91.098 180.000 180.000 + 128.313 -81.817 146.163-130.491 + 121.594-115.339 109.411-112.815 + 119.249-135.945 112.575-113.467 + 118.256-118.653 120.287-123.199 + 121.885 0.000 121.537 -81.068 + # 145 total E -8.77030E+01 rmsd from N 2.804 %NC 0.53 1 + 93.885 114.394 145.275 -13.029 + 91.286 85.666 130.565 -3.299 + 91.302 43.321 140.530 114.800 + 90.241 52.764 139.597 -88.889 + 89.343 45.355 123.260-140.347 + 89.408 53.782 131.979 -29.859 + 89.780 47.066 145.559-175.999 + 91.211 79.342 89.429 -68.828 + 90.096 -59.254 137.899-125.489 + 105.353 -70.919 180.000 180.000 + 99.640 -24.782 180.000 180.000 + 93.427 105.855 133.481-157.510 + 92.957 102.072 116.580 -75.749 + 109.905 -85.261 116.763 -77.725 + 95.279 87.410 180.000 180.000 + 136.851 -71.329 145.313 -62.685 + 120.399-106.727 106.370-108.092 + 116.796-138.986 107.820-108.904 + 117.396-118.635 126.542-136.831 + 121.812 0.000 121.614 -80.884 + # 146 total E -8.69808E+01 rmsd from N 2.369 %NC 0.53 1 + 93.950 126.748 144.562 -1.734 + 91.441 87.155 136.734 -26.027 + 91.317 44.413 119.121 108.243 + 90.394 46.265 148.528 -91.782 + 90.311 45.665 119.879-126.369 + 90.755 49.790 149.135 35.031 + 90.504 42.237 139.453-139.259 + 92.304 71.543 133.966-135.535 + 91.671 -71.105 138.560-118.390 + 113.548 -48.495 180.000 180.000 + 121.607 -69.072 180.000 180.000 + 94.391 61.750 136.513-160.640 + 92.951 111.832 126.104 138.757 + 93.639 -72.516 119.580-144.822 + 96.052 83.956 180.000 180.000 + 134.365 -67.407 154.244-135.666 + 121.966-134.194 103.929-105.099 + 118.822-112.097 121.460-124.880 + 116.901-118.539 129.976-137.735 + 121.774 0.000 121.589 -80.814 + # 147 total E -8.71625E+01 rmsd from N 2.188 %NC 0.67 1 + 93.866 116.502 146.823 -11.753 + 91.532 81.776 137.462 -28.415 + 91.474 44.390 125.185 114.462 + 90.453 44.268 146.091 -93.155 + 90.125 45.968 118.684-121.502 + 90.846 45.175 163.308 22.744 + 91.513 45.917 140.514-139.931 + 93.047 62.608 138.262-132.495 + 92.496 -69.293 116.611 -77.059 + 116.514 -47.222 180.000 180.000 + 122.354 -60.636 180.000 180.000 + 93.467 63.826 130.839-154.904 + 92.719 132.729 122.643 124.265 + 116.368 -70.534 127.626-147.873 + 94.292 65.794 180.000 180.000 + 120.992 -91.068 121.569-103.786 + 119.895-109.314 117.882-123.630 + 118.587-136.985 111.293-112.065 + 117.620-118.816 124.173-130.070 + 121.865 0.000 121.605 -80.991 + # 148 total E -9.08499E+01 rmsd from N 2.314 %NC 0.53 1 + 93.858 122.306 148.578 -9.163 + 91.452 83.383 127.963 -32.560 + 91.866 44.199 92.897 -82.730 + 91.054 43.890 147.681 -99.627 + 90.004 42.858 119.518-113.433 + 90.967 52.560 164.375 11.029 + 90.464 46.084 131.713-166.438 + 91.612 74.444 108.128-102.980 + 90.421 -65.216 129.804-137.876 + 103.302 -66.277 180.000 180.000 + 98.756 -31.879 180.000 180.000 + 92.857 104.220 139.920-168.548 + 94.389 102.548 113.483 -77.138 + 122.742 -95.192 119.894 -77.613 + 94.722 81.052 180.000 180.000 + 130.863 -69.066 129.411 -94.929 + 118.976-107.777 109.605-113.853 + 118.423-139.260 110.483-111.530 + 117.211-118.164 127.215-136.631 + 121.733 0.000 121.458 -80.863 + # 149 total E -8.80708E+01 rmsd from N 2.124 %NC 0.60 1 + 93.867 121.195 147.939 -9.724 + 91.396 84.225 125.144 -27.051 + 91.264 45.474 92.125 -84.640 + 90.799 43.787 148.243 -98.854 + 90.164 43.820 121.828-112.704 + 90.319 52.744 159.020 27.829 + 90.143 50.444 129.840-166.779 + 91.269 73.680 113.946-109.002 + 90.289 -67.980 136.741-125.735 + 102.312 -69.101 180.000 180.000 + 105.040 -40.620 180.000 180.000 + 92.532 95.620 141.569-171.511 + 92.712 96.913 109.680 -77.141 + 137.156 -93.594 117.235 -87.016 + 93.778 83.043 180.000 180.000 + 124.424 -78.111 155.478 -38.263 + 118.388-109.821 111.286-115.885 + 117.925-136.571 111.141-112.216 + 116.414-118.371 128.649-138.552 + 121.755 0.000 121.523 -80.850 + # 150 total E -8.93945E+01 rmsd from N 2.316 %NC 0.53 1 + 116.591-179.751 115.248 -82.102 + 91.571 84.005 127.967 -33.284 + 92.064 43.771 93.145 -82.736 + 91.062 44.125 148.576 -99.426 + 89.980 42.741 119.529-113.418 + 90.938 52.606 164.299 11.135 + 90.464 46.084 131.695-166.044 + 91.613 74.507 108.128-102.943 + 90.411 -65.164 129.842-137.911 + 103.267 -66.256 180.000 180.000 + 98.738 -31.928 180.000 180.000 + 92.856 104.211 139.901-168.547 + 94.395 102.601 113.459 -77.142 + 122.757 -95.165 119.888 -77.599 + 94.722 80.995 180.000 180.000 + 130.808 -69.140 129.382 -94.837 + 118.978-107.783 109.683-113.948 + 118.442-139.225 110.480-111.509 + 117.220-118.170 127.140-136.500 + 121.769 0.000 121.485 -80.871 + # 151 total E -8.93604E+01 rmsd from N 2.296 %NC 0.53 1 + 111.878 157.754 153.061 -40.145 + 92.092 81.665 132.332 -29.787 + 92.061 42.079 100.591 -80.682 + 91.224 44.192 149.426 -95.404 + 90.136 42.442 117.546-118.700 + 90.841 50.352 163.754 29.867 + 90.653 46.275 132.129-162.068 + 92.028 75.076 135.808-130.318 + 90.388 -64.590 131.110-137.310 + 102.602 -65.555 180.000 180.000 + 98.427 -33.119 180.000 180.000 + 92.820 104.281 139.784-168.806 + 94.511 103.141 113.036 -77.262 + 123.219 -95.587 119.279 -77.358 + 94.700 79.904 180.000 180.000 + 129.776 -69.899 128.584 -91.623 + 119.021-108.731 110.021-114.274 + 119.008-138.606 110.742-111.532 + 117.358-118.181 125.908-133.864 + 121.792 0.000 121.467 -80.926 + # 152 total E -8.94619E+01 rmsd from N 2.307 %NC 0.60 1 + 111.718 157.860 153.759 -40.251 + 92.118 81.438 132.011 -31.461 + 92.247 41.960 100.273 -79.816 + 91.389 44.432 149.514 -99.754 + 90.070 42.236 120.043-112.341 + 90.999 52.877 164.760 12.678 + 90.483 45.934 131.912-164.493 + 91.646 74.657 107.766-102.616 + 90.414 -65.028 129.791-138.396 + 103.081 -65.986 180.000 180.000 + 98.638 -32.174 180.000 180.000 + 92.853 104.290 139.855-168.602 + 94.460 103.039 113.418 -77.164 + 122.623 -95.119 120.132 -77.441 + 94.774 80.517 180.000 180.000 + 130.580 -69.688 128.640 -94.632 + 118.868-107.814 110.733-115.346 + 118.752-138.773 110.428-111.215 + 117.332-118.170 126.241-134.856 + 121.784 0.000 121.471 -80.908 + # 153 total E -8.74327E+01 rmsd from N 3.052 %NC 0.53 1 + 115.737 172.043 151.307 -12.842 + 91.644 75.977 135.266 -42.323 + 91.976 43.326 128.621 120.926 + 91.063 48.962 143.892 -93.411 + 89.615 41.634 126.625-103.477 + 90.586 53.917 153.549 -25.831 + 90.488 42.321 134.404 172.983 + 91.460 70.751 103.508 -98.653 + 91.373 -63.398 131.416-132.613 + 112.593 -56.939 180.000 180.000 + 111.957 -51.542 180.000 180.000 + 93.196 84.723 102.230 -64.350 + 94.000 103.791 112.902 -76.675 + 119.422 -68.392 121.968 -81.438 + 94.757 82.137 180.000 180.000 + 127.560 -66.143 142.723-142.640 + 120.307-112.947 107.777-112.659 + 120.725-138.095 110.090-108.736 + 117.514-118.783 124.375-131.235 + 121.867 0.000 121.613 -80.992 + # 154 total E -8.79500E+01 rmsd from N 2.352 %NC 0.53 1 + 93.707 40.221 108.986 -81.021 + 91.900 81.100 134.933 -26.802 + 93.628 36.237 176.435-178.357 + 92.178 49.549 140.953 -99.435 + 90.479 40.186 114.620-123.186 + 91.262 51.755 164.289 19.565 + 90.589 45.374 134.349-174.023 + 91.809 75.551 110.048 -99.622 + 90.266 -65.704 130.422-138.309 + 102.890 -66.463 180.000 180.000 + 98.194 -31.433 180.000 180.000 + 93.019 104.651 139.264-167.302 + 94.415 102.075 114.131 -76.988 + 122.932 -95.433 119.730 -77.540 + 94.695 80.892 180.000 180.000 + 130.643 -68.466 129.401 -93.293 + 118.891-107.341 109.405-113.643 + 118.326-141.234 110.655-111.812 + 118.303-108.802 127.125-135.723 + 120.752 0.000 119.082 -80.250 + # 155 total E -8.69704E+01 rmsd from N 3.110 %NC 0.60 1 + 119.120-114.925 110.152 -82.775 + 91.634 70.315 136.357 -41.484 + 91.943 43.305 128.072 121.678 + 91.087 49.295 143.553 -94.250 + 89.737 41.424 125.869-105.551 + 90.856 52.892 152.524 -26.075 + 90.667 41.192 134.872 178.198 + 91.721 69.810 103.021 -96.360 + 91.763 -65.426 132.906-124.973 + 115.853 -46.118 180.000 180.000 + 118.997 -58.729 180.000 180.000 + 93.548 72.202 104.085 -75.355 + 93.071 116.797 126.500 123.944 + 110.364 -65.731 127.177-135.057 + 94.143 79.670 180.000 180.000 + 125.694 -66.997 139.967-141.494 + 120.859-112.146 109.292-114.445 + 120.228-138.088 111.091-110.317 + 117.445-118.799 124.453-130.745 + 121.869 0.000 121.618 -80.991 + # 156 total E -8.70639E+01 rmsd from N 3.011 %NC 0.47 1 + 93.833 93.823 147.487 -15.037 + 91.580 76.421 139.341 -33.710 + 91.330 47.189 176.413 179.386 + 89.271 51.918 132.158 -84.336 + 89.036 48.953 117.307-133.484 + 88.999 58.883 114.962 -50.743 + 89.535 47.138 156.800-179.507 + 91.124 73.927 89.573 -72.635 + 90.816 -58.587 142.566-130.552 + 109.806 -72.337 180.000 180.000 + 102.287 -25.098 180.000 180.000 + 92.934 103.187 138.258-165.088 + 92.363 88.235 113.852 -76.637 + 118.604 -85.920 118.549 -84.839 + 95.928 96.729 180.000 180.000 + 133.879 -77.258 131.164-146.390 + 120.652-109.829 108.714-111.816 + 118.101-140.106 107.572-107.547 + 116.971-118.686 129.436-140.756 + 121.792 0.000 121.648 -80.826 + # 157 total E -8.80022E+01 rmsd from N 3.477 %NC 0.53 1 + 93.937 119.691 143.225 -10.165 + 91.621 88.350 139.028 -14.608 + 91.291 42.135 144.043 110.516 + 90.836 48.406 141.589 -90.469 + 89.589 44.519 119.753-132.692 + 89.470 60.969 140.030 -34.082 + 89.881 42.528 141.308 170.054 + 91.107 73.364 92.083 -77.624 + 91.325 -53.752 135.633-133.903 + 111.721 -67.357 180.000 180.000 + 102.039 -31.396 180.000 180.000 + 92.639 100.730 109.504 -89.182 + 93.289 102.421 112.343 -79.453 + 119.640 -73.808 130.597-154.686 + 95.384 82.989 180.000 180.000 + 127.288 -71.401 151.714 -27.536 + 119.815-110.018 107.148-107.617 + 119.846-137.783 108.926-108.448 + 117.592-118.816 124.015-132.192 + 121.864 0.000 121.629 -80.976 + # 158 total E -8.69332E+01 rmsd from N 2.337 %NC 0.60 1 + 111.900 158.341 153.935 -38.894 + 92.093 80.934 131.382 -31.965 + 92.428 41.546 100.881 -79.697 + 91.499 44.255 150.202-100.588 + 90.166 42.805 119.824-111.191 + 91.239 52.081 163.421 14.631 + 90.609 45.296 132.044-158.124 + 91.750 73.955 107.208-101.236 + 90.476 -66.630 129.000-138.185 + 103.695 -65.571 180.000 180.000 + 98.434 -31.179 180.000 180.000 + 92.960 104.821 108.320-102.024 + 94.361 101.422 113.951 -77.387 + 119.278 -93.338 119.013 -77.645 + 94.690 79.938 180.000 180.000 + 131.688 -70.588 126.311 -97.004 + 119.048-107.451 110.095-114.474 + 118.308-138.161 111.616-112.473 + 117.354-118.211 126.292-134.597 + 121.832 0.000 121.507 -80.932 + # 159 total E -8.74478E+01 rmsd from N 1.830 %NC 0.67 1 + 93.899 124.675 144.826 -5.413 + 91.506 87.723 137.347 -22.893 + 91.124 45.046 124.144 110.515 + 89.931 45.682 146.470 -91.324 + 90.042 45.249 121.413-127.413 + 90.360 47.546 160.538 35.125 + 90.780 43.505 141.566-147.085 + 92.105 70.492 136.213-134.053 + 90.759 -67.859 135.391-117.752 + 109.090 -61.040 180.000 180.000 + 113.882 -55.805 180.000 180.000 + 92.464 75.426 131.966-157.923 + 92.869 133.266 113.183 -76.863 + 113.612 -78.547 126.507-139.799 + 94.173 63.698 180.000 180.000 + 124.577 -86.832 111.440 -92.685 + 119.173-107.678 120.627-127.820 + 118.340-135.721 109.791-110.491 + 118.223-118.721 120.317-124.955 + 121.885 0.000 121.566 -81.052 + # 160 total E -8.77191E+01 rmsd from N 2.117 %NC 0.67 1 + 93.856 110.200 147.030 -11.766 + 91.533 78.967 136.775 -29.839 + 91.828 43.969 126.447 113.917 + 90.664 44.413 142.993 -94.068 + 89.907 44.755 119.532-116.531 + 90.514 51.304 167.354 10.837 + 90.576 43.728 142.737-175.552 + 91.727 71.985 108.042-101.696 + 90.879 -65.556 130.365-134.639 + 105.795 -65.587 180.000 180.000 + 100.705 -31.152 180.000 180.000 + 92.573 100.195 132.830-158.483 + 93.656 121.595 112.984 -78.535 + 118.247 -90.263 125.496-152.102 + 95.058 70.519 180.000 180.000 + 129.942 -85.753 109.843-107.513 + 118.753-107.346 120.692-128.425 + 118.249-137.662 108.058-108.118 + 117.446-118.769 125.418-132.866 + 121.849 0.000 121.628 -80.947 + # 161 total E -8.89318E+01 rmsd from N 2.366 %NC 0.60 1 + 116.604-179.671 115.196 -82.068 + 91.553 83.708 127.470 -34.415 + 92.175 43.347 93.421 -82.726 + 91.114 44.390 148.539 -99.525 + 90.023 42.335 119.008-114.194 + 90.998 52.758 165.152 9.663 + 90.464 44.829 131.982-165.741 + 91.589 73.372 107.240-101.898 + 90.525 -64.463 130.765-136.123 + 104.731 -66.855 180.000 180.000 + 99.499 -31.860 180.000 180.000 + 92.741 102.003 139.931-168.449 + 93.367 107.266 113.172 -77.933 + 121.546 -96.955 123.163-134.469 + 94.405 77.757 180.000 180.000 + 129.761 -67.727 125.832 -97.225 + 118.847-107.131 110.123-114.600 + 118.384-138.821 110.249-111.227 + 117.414-118.228 125.864-134.899 + 121.787 0.000 121.488 -80.906 + # 162 total E -8.78644E+01 rmsd from N 2.120 %NC 0.60 1 + 112.623 156.786 149.934 -38.381 + 91.986 86.265 134.229 -18.220 + 90.905 45.154 104.341 -85.990 + 89.981 43.977 148.936 -98.039 + 90.977 43.882 122.207-125.317 + 91.475 44.533 140.509 80.262 + 91.523 44.555 129.752-143.340 + 93.092 74.316 140.528-133.312 + 90.921 -68.158 141.910-138.990 + 105.924 -59.097 180.000 180.000 + 108.159 -62.261 180.000 180.000 + 92.668 77.517 136.853-165.045 + 93.416 101.951 113.092 -76.538 + 122.240 -84.514 124.003 -83.847 + 96.463 78.876 180.000 180.000 + 121.766 -79.031 145.238 -37.748 + 120.327-113.243 110.993-113.101 + 120.283-136.347 110.745-110.604 + 118.093-118.367 121.431-126.200 + 121.865 0.000 121.455 -81.074 + # 163 total E -8.74956E+01 rmsd from N 2.347 %NC 0.53 1 + 116.714 169.623 145.070 -11.699 + 91.486 81.207 133.724 -26.247 + 93.438 36.834 176.439 178.943 + 91.925 49.094 141.035 -96.153 + 90.432 40.795 113.383-125.535 + 91.073 50.012 163.208 29.899 + 90.736 45.536 134.708-172.072 + 92.120 75.893 136.667-128.775 + 90.193 -65.106 131.604-136.882 + 102.585 -66.433 180.000 180.000 + 98.007 -32.006 180.000 180.000 + 92.991 104.652 139.314-167.747 + 94.459 102.102 114.009 -76.906 + 123.287 -95.839 119.093 -77.593 + 94.640 80.663 180.000 180.000 + 130.011 -68.704 129.387 -91.367 + 118.971-107.946 108.882-112.900 + 118.472-141.211 110.860-111.981 + 118.367-108.329 126.999-135.212 + 120.774 0.000 118.868 -80.428 + # 164 total E -8.83694E+01 rmsd from N 3.077 %NC 0.53 1 + 93.866 102.020 146.328 -10.831 + 91.454 71.725 135.519 -38.954 + 91.705 43.720 129.748 120.409 + 90.944 48.589 142.615 -92.589 + 89.566 42.281 123.728-111.906 + 90.526 53.891 153.689 -25.328 + 90.439 42.275 134.381 172.314 + 91.488 71.152 104.336 -99.350 + 91.322 -63.131 131.334-133.755 + 112.059 -58.011 180.000 180.000 + 110.860 -49.780 180.000 180.000 + 93.202 86.894 102.630 -65.120 + 94.123 102.639 112.559 -76.784 + 120.334 -69.087 122.271 -81.242 + 94.793 82.517 180.000 180.000 + 127.622 -65.866 141.978-142.457 + 120.296-113.020 107.818-112.794 + 120.723-138.203 109.994-108.579 + 117.489-118.789 124.582-131.634 + 121.865 0.000 121.616 -80.984 + # 165 total E -8.74963E+01 rmsd from N 2.349 %NC 0.53 1 + 116.841 169.888 144.926 -10.246 + 91.437 80.750 133.865 -26.119 + 93.391 36.773 176.438 179.040 + 91.930 49.109 140.909 -96.360 + 90.438 40.618 113.549-125.520 + 91.113 50.088 163.675 29.404 + 90.708 45.249 134.803-172.428 + 92.120 75.861 136.694-129.090 + 90.229 -65.176 131.768-136.856 + 102.606 -66.410 180.000 180.000 + 98.094 -32.043 180.000 180.000 + 92.998 104.622 139.244-167.437 + 94.468 102.205 113.802 -77.101 + 123.243 -95.609 119.228 -77.359 + 94.684 80.457 180.000 180.000 + 130.222 -68.608 129.178 -91.637 + 118.956-107.847 109.150-113.255 + 118.503-141.041 110.812-111.962 + 118.397-108.250 126.891-135.029 + 120.652 0.000 118.876 -80.310 + # 166 total E -8.74959E+01 rmsd from N 2.349 %NC 0.53 1 + 116.993 170.041 144.913 -10.308 + 91.428 80.662 133.864 -26.016 + 93.402 36.774 176.438 179.115 + 91.889 49.133 140.890 -96.259 + 90.449 40.651 113.590-125.661 + 91.111 50.065 163.679 29.963 + 90.705 45.197 134.734-172.259 + 92.117 75.884 136.726-129.182 + 90.179 -65.183 131.862-136.963 + 102.599 -66.385 180.000 180.000 + 98.003 -32.073 180.000 180.000 + 92.996 104.706 139.199-167.377 + 94.480 102.177 113.944 -77.071 + 123.209 -95.770 119.254 -77.428 + 94.656 80.627 180.000 180.000 + 130.036 -68.722 129.233 -91.478 + 118.937-107.933 109.177-113.297 + 118.511-141.201 110.808-111.884 + 118.432-108.293 126.655-134.752 + 120.677 0.000 118.808 -80.311 + # 167 total E -8.74979E+01 rmsd from N 2.347 %NC 0.53 1 + 116.930 170.098 144.927 -10.645 + 91.440 80.681 133.803 -25.961 + 93.416 36.806 176.440 178.965 + 91.928 48.967 140.935 -96.272 + 90.439 40.789 113.383-125.408 + 91.084 49.960 163.171 29.705 + 90.715 45.505 134.784-172.296 + 92.109 75.925 136.732-128.892 + 90.199 -65.151 131.755-136.829 + 102.585 -66.397 180.000 180.000 + 98.082 -32.077 180.000 180.000 + 92.984 104.596 139.270-167.525 + 94.450 102.184 113.836 -77.070 + 123.297 -95.693 119.089 -77.451 + 94.640 80.504 180.000 180.000 + 130.117 -68.681 129.344 -91.434 + 118.994-107.906 108.997-113.020 + 118.491-141.176 110.828-111.972 + 118.394-108.208 126.957-135.147 + 120.708 0.000 118.905 -80.269 + # 168 total E -8.75040E+01 rmsd from N 2.354 %NC 0.60 1 + 116.973 170.688 145.034 -10.261 + 91.452 80.390 134.270 -26.773 + 93.591 36.085 176.436-179.363 + 92.130 49.470 141.147 -99.324 + 90.451 40.294 114.365-123.366 + 91.229 51.702 164.245 18.953 + 90.573 45.274 134.295-173.949 + 91.807 75.566 110.046 -99.604 + 90.248 -65.674 130.507-138.168 + 102.919 -66.530 180.000 180.000 + 98.199 -31.375 180.000 180.000 + 93.026 104.654 139.217-167.217 + 94.417 102.102 114.163 -76.980 + 122.906 -95.342 119.775 -77.500 + 94.702 80.924 180.000 180.000 + 130.659 -68.517 129.415 -93.405 + 118.883-107.240 109.527-113.811 + 118.271-141.188 110.611-111.775 + 118.332-108.781 127.058-135.655 + 120.751 0.000 119.058 -80.262 + # 169 total E -8.71928E+01 rmsd from N 2.060 %NC 0.53 1 + 93.888 121.898 146.716 -9.123 + 91.295 84.405 126.195 -18.752 + 91.178 45.390 94.932 -89.316 + 90.316 44.488 149.948 -96.146 + 89.958 43.944 117.235-125.268 + 90.984 52.905 125.850 36.071 + 89.960 42.033 132.780-157.982 + 91.699 64.201 131.886-138.028 + 92.203 -72.757 139.763 -29.124 + 119.344 -77.335 180.000 180.000 + 116.893 -57.995 180.000 180.000 + 92.534 68.569 139.278-169.517 + 95.160 94.466 112.845 -75.707 + 127.210 -87.661 151.072 -30.007 + 95.950 80.172 180.000 180.000 + 129.526 -75.277 144.342 -50.165 + 119.027-109.006 112.496-116.104 + 120.207-139.377 110.304-109.979 + 116.939-117.964 128.588-137.870 + 121.751 0.000 121.423 -80.873 + # 170 total E -8.90199E+01 rmsd from N 2.356 %NC 0.67 1 + 111.778 158.230 154.231 -39.151 + 92.110 81.005 131.697 -32.452 + 92.345 41.520 100.719 -79.801 + 91.445 44.719 149.462 -99.802 + 90.116 41.798 119.542-113.190 + 91.063 53.019 165.681 11.687 + 90.483 44.660 132.222-164.173 + 91.626 73.512 106.897-101.526 + 90.530 -64.316 130.799-136.524 + 104.540 -66.605 180.000 180.000 + 99.402 -32.140 180.000 180.000 + 92.737 102.082 139.892-168.533 + 93.411 107.775 113.145 -77.981 + 121.468 -96.952 123.353-135.335 + 94.454 77.194 180.000 180.000 + 129.454 -68.248 125.030 -96.903 + 118.729-107.182 111.179-115.997 + 118.712-138.348 110.237-110.969 + 117.531-118.204 124.921-133.216 + 121.803 0.000 121.471 -80.943 + # 171 total E -8.87138E+01 rmsd from N 2.888 %NC 0.60 1 + 115.918 174.202 151.464 -12.042 + 91.591 74.183 136.176 -47.778 + 92.142 43.695 123.625 123.085 + 90.924 48.354 144.981 -95.059 + 89.788 42.175 123.317-110.745 + 90.955 51.421 156.894 -16.057 + 90.653 42.840 136.310-173.724 + 91.672 72.433 105.393 -97.534 + 90.699 -62.424 129.350-138.608 + 108.706 -69.309 180.000 180.000 + 101.245 -26.530 180.000 180.000 + 92.937 99.314 136.393-162.185 + 92.697 99.423 114.284 -77.984 + 124.800 -88.335 126.232-139.391 + 94.811 84.311 180.000 180.000 + 129.213 -75.260 132.764-133.460 + 120.657-114.811 110.357-116.185 + 119.740-136.141 109.596-109.104 + 118.038-118.741 121.454-125.869 + 121.891 0.000 121.571 -81.060 + # 172 total E -8.90766E+01 rmsd from N 2.304 %NC 0.53 1 + 115.430 171.530 154.524-113.719 + 91.156 73.115 129.315 -23.700 + 91.294 45.049 92.205 -81.857 + 90.964 42.765 144.720-102.048 + 90.027 43.800 119.134-112.516 + 90.932 52.476 164.465 7.345 + 90.395 45.690 131.654-167.335 + 91.591 74.192 107.590-103.305 + 90.430 -65.205 130.094-137.079 + 103.594 -66.609 180.000 180.000 + 98.868 -31.594 180.000 180.000 + 92.873 104.282 139.936-168.454 + 94.401 102.565 113.564 -77.118 + 122.437 -94.952 120.245 -77.461 + 94.794 81.210 180.000 180.000 + 131.123 -69.191 129.163 -96.018 + 118.871-107.356 110.234-114.751 + 118.354-139.231 110.310-111.303 + 117.243-118.179 127.067-136.559 + 121.770 0.000 121.489 -80.871 + # 173 total E -8.72396E+01 rmsd from N 2.829 %NC 0.67 1 + 115.728 169.995 150.426 -13.138 + 91.657 79.171 142.520-110.634 + 90.966 58.299 133.998 114.886 + 89.256 49.993 145.286 -96.906 + 89.278 44.527 123.462 -91.514 + 90.610 52.217 156.906 -9.163 + 90.538 40.683 134.370-166.236 + 91.887 73.102 101.871 -97.901 + 90.868 -59.507 130.709-137.362 + 108.900 -70.036 180.000 180.000 + 101.264 -26.515 180.000 180.000 + 93.074 100.008 139.117-166.533 + 93.393 106.170 115.300 -78.780 + 126.217 -87.544 133.202-161.095 + 95.772 74.292 180.000 180.000 + 123.838 -79.779 131.390 -92.361 + 119.925-110.492 117.327-123.321 + 119.622-133.682 109.316-108.938 + 118.486-118.674 117.831-121.826 + 121.889 0.000 121.533 -81.077 + # 174 total E -8.72352E+01 rmsd from N 3.055 %NC 0.60 1 + 115.766 172.427 151.358 -12.719 + 91.625 75.643 136.022 -44.063 + 91.918 43.902 127.815 121.381 + 90.881 49.896 144.340 -93.779 + 89.703 41.365 125.900-108.916 + 90.819 52.876 152.004 -24.655 + 90.715 40.636 134.809-179.065 + 91.828 70.056 103.001 -96.015 + 91.768 -63.588 132.635-128.229 + 115.872 -48.238 180.000 180.000 + 120.956 -59.607 180.000 180.000 + 93.410 68.402 102.052 -89.491 + 93.023 118.969 122.714 128.789 + 113.393 -67.224 126.514-135.826 + 94.004 78.797 180.000 180.000 + 124.927 -63.609 143.549-136.568 + 120.470-110.957 109.189-114.338 + 120.473-138.051 111.132-110.121 + 117.532-118.810 124.154-130.370 + 121.877 0.000 121.614 -81.010 + # 175 total E -8.80846E+01 rmsd from N 2.492 %NC 0.60 1 + 93.981 124.867 142.452 -4.402 + 91.477 90.202 137.300 -14.963 + 90.364 47.945 128.678 112.291 + 89.337 43.925 147.776 -91.559 + 89.461 48.029 123.106-132.707 + 89.401 51.678 157.939 33.983 + 90.168 42.127 139.712-151.913 + 92.187 73.807 129.350-134.454 + 91.074 -59.737 135.641-131.743 + 105.987 -66.036 180.000 180.000 + 102.361 -35.107 180.000 180.000 + 92.651 99.200 138.569-167.440 + 93.306 105.771 111.247 -78.884 + 95.600 -84.586 127.605-179.202 + 96.655 91.881 180.000 180.000 + 130.111 -86.151 136.733 -42.003 + 120.671-111.085 118.059-121.927 + 119.413-117.728 111.093-111.272 + 118.082-118.685 119.319-124.025 + 121.893 0.000 121.538 -81.083 + # 176 total E -8.70536E+01 rmsd from N 2.384 %NC 0.60 1 + 116.946 170.214 144.953 -10.316 + 91.442 80.354 134.171 -26.363 + 93.491 36.137 176.441 179.290 + 92.026 49.546 141.026 -96.500 + 90.512 40.180 113.436-125.818 + 91.144 50.414 164.134 30.449 + 90.703 44.389 135.372-171.370 + 92.096 74.813 136.706-130.226 + 90.314 -64.463 133.361-133.797 + 103.958 -66.873 180.000 180.000 + 98.805 -32.227 180.000 180.000 + 92.863 102.301 139.192-167.289 + 93.407 106.965 113.532 -78.006 + 122.139 -97.684 121.475-134.644 + 94.354 77.151 180.000 180.000 + 128.954 -67.256 125.893 -93.257 + 118.825-107.282 109.381-113.583 + 118.457-140.746 110.651-111.746 + 118.635-108.100 125.298-132.893 + 120.699 0.000 118.891 -80.261 + # 177 total E -8.71226E+01 rmsd from N 2.795 %NC 0.53 1 + 119.064-143.196 111.811 -79.638 + 91.216 85.602 131.034 5.179 + 90.458 49.611 137.514 110.939 + 89.621 46.657 145.869 -91.990 + 89.171 47.143 127.100-144.184 + 89.488 49.197 146.523 -7.027 + 90.254 45.546 140.220-156.926 + 91.754 76.840 133.499-132.558 + 90.389 -58.320 131.669-139.140 + 106.097 -70.687 180.000 180.000 + 100.594 -29.027 180.000 180.000 + 92.963 103.103 138.051-165.592 + 94.163 95.095 113.243 -77.067 + 125.966 -81.193 126.985 -78.270 + 96.360 81.490 180.000 180.000 + 128.456 -83.343 146.200 -32.960 + 119.907-113.083 111.738-113.422 + 119.808-134.347 110.333-110.571 + 118.397-118.674 118.783-122.711 + 121.891 0.000 121.536 -81.079 + # 178 total E -8.77638E+01 rmsd from N 2.156 %NC 0.53 1 + 93.710 62.811 110.176 -80.667 + 91.472 83.614 126.441 -22.476 + 91.522 44.257 96.611 -87.755 + 90.683 44.572 150.041 -95.416 + 90.520 43.140 117.244-123.869 + 91.436 48.083 149.062 37.347 + 91.029 44.167 132.294-146.082 + 92.148 72.074 137.656-132.393 + 91.296 -67.179 133.762-131.647 + 112.673 -59.352 180.000 180.000 + 115.012 -62.708 180.000 180.000 + 93.386 66.236 139.678-168.043 + 93.551 112.828 109.249 61.323 + 119.874 -81.858 118.287 -84.050 + 94.510 71.816 180.000 180.000 + 124.927 -74.823 140.197 -55.330 + 119.905-111.522 107.929-109.863 + 119.532-137.040 112.833-113.816 + 117.715-118.328 123.761-130.165 + 121.840 0.000 121.473 -81.015 + # 179 total E -8.74161E+01 rmsd from N 2.379 %NC 0.53 1 + 116.714 169.484 145.313 -11.166 + 91.428 79.681 135.426 -26.634 + 93.140 35.152 172.447 14.604 + 91.929 50.093 142.782 -92.943 + 90.184 41.579 114.742-125.297 + 90.638 50.213 163.655 29.698 + 90.688 45.135 136.549-173.998 + 92.172 76.037 136.957-129.315 + 90.277 -64.950 132.046-136.987 + 102.579 -66.144 180.000 180.000 + 98.051 -32.300 180.000 180.000 + 93.009 104.921 139.350-167.711 + 94.549 102.343 113.719 -77.066 + 122.573 -95.639 119.461 -77.130 + 94.760 79.836 180.000 180.000 + 130.657 -68.782 128.128 -92.196 + 118.615-107.763 110.708-115.424 + 119.436-143.066 110.874-111.386 + 118.833-102.480 126.189-133.434 + 120.215 0.000 117.661 -79.836 + # 180 total E -8.74159E+01 rmsd from N 2.380 %NC 0.53 1 + 116.630 169.091 145.520 -12.065 + 91.453 80.032 135.329 -26.915 + 93.212 35.173 172.479 14.052 + 91.924 50.094 142.838 -92.714 + 90.183 41.494 114.632-125.134 + 90.642 50.287 163.548 29.292 + 90.678 45.131 136.673-174.176 + 92.165 76.189 136.996-129.300 + 90.255 -64.905 131.987-137.395 + 102.468 -66.204 180.000 180.000 + 97.992 -32.169 180.000 180.000 + 93.023 105.010 139.317-167.629 + 94.482 102.221 113.971 -76.980 + 122.533 -95.863 119.603 -77.112 + 94.781 80.055 180.000 180.000 + 130.466 -68.842 128.187 -92.272 + 118.603-107.703 110.627-115.361 + 119.409-142.990 110.837-111.360 + 118.875-102.809 126.383-133.695 + 120.019 0.000 117.525 -79.893 + # 181 total E -8.84115E+01 rmsd from N 2.903 %NC 0.60 1 + 115.590 171.453 151.622 -13.642 + 91.649 76.214 136.420 -41.783 + 91.865 44.748 126.187 120.617 + 90.714 46.911 146.307 -96.240 + 89.642 44.711 124.037-107.721 + 90.748 51.754 157.457 -7.397 + 90.597 44.279 137.338-162.499 + 91.786 74.463 105.889-101.045 + 90.580 -64.488 127.615-141.965 + 105.232 -66.750 180.000 180.000 + 98.535 -29.354 180.000 180.000 + 93.324 105.784 112.488-102.301 + 93.747 92.852 114.729 -76.943 + 123.529 -84.956 119.026 -78.355 + 94.828 87.792 180.000 180.000 + 132.141 -64.374 137.721-123.330 + 119.282-109.898 108.792-114.451 + 120.781-136.701 110.871-109.818 + 118.083-118.693 121.067-126.611 + 121.892 0.000 121.550 -81.073 + # 182 total E -8.71950E+01 rmsd from N 2.380 %NC 0.53 1 + 116.332 175.940 113.942 -81.159 + 91.701 80.920 135.319 -27.262 + 93.022 35.877 172.616 13.868 + 91.953 49.829 142.472 -92.613 + 90.231 41.558 116.252-123.913 + 90.682 50.102 163.454 29.860 + 90.709 45.329 136.596-174.794 + 92.166 76.087 137.104-129.137 + 90.290 -64.985 131.852-137.321 + 102.515 -66.213 180.000 180.000 + 97.995 -32.065 180.000 180.000 + 93.035 105.060 139.390-167.751 + 94.488 102.055 113.970 -77.052 + 122.496 -96.019 119.510 -77.175 + 94.763 80.248 180.000 180.000 + 130.495 -68.576 128.365 -92.458 + 118.613-107.765 110.201-114.771 + 119.360-143.116 110.908-111.547 + 118.754-102.983 126.850-134.439 + 120.148 0.000 117.589 -79.916 + # 183 total E -8.74180E+01 rmsd from N 2.380 %NC 0.53 1 + 116.849 169.719 145.081 -11.056 + 91.426 79.592 135.343 -26.440 + 93.158 35.224 172.487 14.362 + 91.930 50.022 142.705 -92.798 + 90.189 41.529 114.661-125.184 + 90.650 50.201 163.553 29.134 + 90.687 45.161 136.693-174.192 + 92.163 76.100 137.036-129.310 + 90.274 -64.885 131.943-137.234 + 102.537 -66.239 180.000 180.000 + 97.995 -32.102 180.000 180.000 + 93.032 105.035 139.363-167.737 + 94.513 102.177 113.945 -77.060 + 122.490 -95.909 119.631 -77.086 + 94.783 80.171 180.000 180.000 + 130.413 -68.858 128.239 -92.408 + 118.599-107.644 110.641-115.349 + 119.370-142.975 110.821-111.400 + 118.853-102.622 126.388-133.735 + 120.111 0.000 117.531 -79.915 + # 184 total E -8.74154E+01 rmsd from N 2.382 %NC 0.53 1 + 116.746 169.818 144.972 -10.941 + 91.416 79.573 135.417 -26.483 + 93.125 35.254 172.479 14.338 + 91.885 50.156 142.598 -92.619 + 90.192 41.444 114.864-125.344 + 90.666 50.283 164.114 29.582 + 90.687 44.964 136.416-174.430 + 92.165 75.906 137.034-129.521 + 90.294 -64.987 131.948-137.175 + 102.598 -66.230 180.000 180.000 + 97.986 -32.070 180.000 180.000 + 93.030 105.126 139.262-167.564 + 94.519 102.195 113.981 -77.148 + 122.476 -95.954 119.849 -76.990 + 94.814 80.153 180.000 180.000 + 130.382 -68.839 128.019 -92.477 + 118.556-107.618 110.630-115.449 + 119.446-142.978 110.778-111.396 + 118.895-102.184 126.190-133.369 + 119.991 0.000 117.626 -80.049 + # 185 total E -8.71991E+01 rmsd from N 3.101 %NC 0.60 1 + 115.708 170.892 150.923 -12.963 + 91.674 76.076 133.878 -41.084 + 92.684 39.299 129.476 121.552 + 91.884 50.465 143.594 -91.467 + 90.057 39.633 123.438-112.824 + 91.215 54.027 146.568 -34.696 + 90.740 41.241 138.363 178.326 + 91.672 68.882 102.581 -93.608 + 92.032 -66.601 132.853-128.293 + 118.532 -40.409 180.000 180.000 + 121.023 -62.769 180.000 180.000 + 93.780 65.710 104.670 -73.433 + 93.034 123.284 131.669 132.096 + 96.083 -65.325 120.197-136.060 + 94.539 86.766 180.000 180.000 + 128.302 -65.738 136.916-150.282 + 120.594-113.696 108.035-113.225 + 120.503-138.154 111.685-111.052 + 117.459-118.776 124.458-130.514 + 121.868 0.000 121.610 -80.994 + # 186 total E -8.69435E+01 rmsd from N 2.900 %NC 0.53 1 + 115.700 -48.276 148.187 -19.068 + 91.498 72.487 136.348 -46.611 + 91.989 43.924 124.007 123.020 + 90.899 48.208 144.045 -95.431 + 89.797 42.357 123.271-110.941 + 90.960 51.308 156.895 -16.033 + 90.646 42.726 136.258-174.472 + 91.680 72.361 105.394 -97.483 + 90.707 -62.451 129.403-138.480 + 108.831 -69.396 180.000 180.000 + 101.271 -26.430 180.000 180.000 + 92.946 99.294 136.423-162.181 + 92.700 99.262 114.319 -77.993 + 124.901 -88.260 126.419-139.668 + 94.834 84.294 180.000 180.000 + 129.149 -75.275 132.682-133.837 + 120.647-114.748 110.449-116.327 + 119.739-136.221 109.538-109.007 + 117.993-118.753 121.743-126.338 + 121.890 0.000 121.575 -81.056 + # 187 total E -8.70771E+01 rmsd from N 2.790 %NC 0.60 1 + 116.120 168.381 147.782 -13.128 + 91.553 79.374 127.133 -27.086 + 92.767 35.162 145.178 115.599 + 92.318 55.406 139.464 -86.602 + 90.429 38.326 119.298-129.797 + 90.840 57.249 120.012 -42.624 + 89.891 46.240 152.084-174.363 + 90.937 69.896 90.032 -73.284 + 90.388 -69.456 138.040-128.024 + 112.417 -75.282 180.000 180.000 + 102.086 -21.129 180.000 180.000 + 92.958 98.862 138.455-163.250 + 92.948 71.809 115.481 -76.298 + 94.257 -95.532 108.912 -85.384 + 93.893 144.022 180.000 180.000 + 137.321 -78.574 147.582 158.598 + 115.772-103.648 112.608-122.127 + 118.418-142.120 107.104-105.657 + 116.816-118.428 131.363-145.165 + 121.712 0.000 121.617 -80.697 + # 188 total E -8.71037E+01 rmsd from N 3.464 %NC 0.47 1 + 93.703 40.680 109.186 -81.411 + 91.963 92.652 138.799 -17.287 + 91.603 42.813 144.322 112.027 + 90.874 48.195 142.293 -90.876 + 89.609 44.535 120.454-132.948 + 89.479 61.045 140.163 -34.272 + 89.886 42.668 141.154 170.905 + 91.085 73.287 92.093 -77.585 + 91.311 -53.950 135.533-133.725 + 111.670 -67.287 180.000 180.000 + 102.015 -31.434 180.000 180.000 + 92.628 100.710 109.619 -89.163 + 93.266 102.737 112.337 -79.438 + 119.441 -74.181 130.250-154.295 + 95.342 83.095 180.000 180.000 + 127.324 -71.363 151.452 -28.896 + 119.813-109.969 107.487-108.103 + 119.892-137.645 108.848-108.310 + 117.634-118.820 123.725-131.755 + 121.868 0.000 121.626 -80.986 + # 189 total E -8.72246E+01 rmsd from N 3.119 %NC 0.53 1 + 93.717 38.342 108.448 -80.539 + 91.731 74.362 133.229 -38.159 + 92.836 37.722 131.386 120.794 + 92.079 51.433 141.954 -90.728 + 90.306 38.825 119.179-123.125 + 91.258 55.877 141.948 -37.465 + 90.650 41.313 140.605 178.348 + 91.517 69.121 94.094 -76.429 + 92.041 -65.413 134.756-126.068 + 119.338 -40.587 180.000 180.000 + 121.296 -63.516 180.000 180.000 + 93.751 64.937 104.451 -73.553 + 92.982 123.454 129.980 130.435 + 95.417 -64.134 119.370-134.782 + 94.451 86.922 180.000 180.000 + 129.264 -65.775 135.438-152.988 + 120.707-113.576 108.540-114.093 + 120.599-138.364 110.947-109.947 + 117.459-118.787 124.787-131.137 + 121.866 0.000 121.616 -80.987 + # 190 total E -8.77026E+01 rmsd from N 3.069 %NC 0.53 1 + 93.847 99.811 147.208 -12.411 + 91.410 72.479 136.961 -39.991 + 91.042 45.717 129.042 117.960 + 89.934 49.514 141.687 -88.945 + 89.656 42.620 119.497-128.715 + 90.523 50.993 137.122 -10.958 + 90.662 41.576 140.922-173.543 + 92.167 73.690 134.654-133.674 + 92.091 -58.599 136.310-123.773 + 118.687 -44.677 180.000 180.000 + 123.291 -63.471 180.000 180.000 + 93.482 63.976 96.296 -86.320 + 94.414 130.379 115.178 -77.544 + 123.353 -73.429 137.928-147.434 + 94.116 74.850 180.000 180.000 + 121.479 -54.502 145.439-117.644 + 117.816-105.850 111.138-118.202 + 120.660-138.451 111.587-110.164 + 117.527-118.719 124.568-132.839 + 121.858 0.000 121.597 -80.982 + # 191 total E -8.89274E+01 rmsd from N 2.805 %NC 0.47 1 + 93.710 37.185 108.298 -80.424 + 91.621 73.122 137.888 -41.608 + 91.889 43.726 124.505 122.476 + 90.805 47.676 144.117 -95.493 + 89.711 43.435 124.286-108.690 + 90.837 50.378 156.582 -12.494 + 90.700 44.209 136.285-173.309 + 91.750 74.102 106.680 -98.340 + 90.518 -63.958 127.045-143.479 + 106.205 -69.168 180.000 180.000 + 99.992 -27.087 180.000 180.000 + 93.179 103.189 135.559-161.082 + 93.882 91.260 114.642 -76.663 + 126.982 -85.800 122.171 -77.615 + 95.450 90.034 180.000 180.000 + 130.532 -76.050 140.011-133.239 + 120.741-116.507 109.233-114.602 + 120.210-136.465 109.588-108.719 + 117.966-118.753 122.008-126.645 + 121.890 0.000 121.575 -81.056 + # 192 total E -8.76478E+01 rmsd from N 2.063 %NC 0.60 1 + 93.974 126.605 143.494 -1.791 + 91.342 90.379 131.304 -17.065 + 90.889 45.533 121.614 98.013 + 89.917 48.800 144.823 -91.745 + 89.811 45.693 122.104-134.440 + 90.191 50.070 137.290 29.907 + 90.285 43.431 142.830-157.906 + 91.964 72.315 133.964-134.587 + 91.117 -62.047 135.754-129.075 + 111.009 -78.515 180.000 180.000 + 118.307 -64.482 180.000 180.000 + 92.579 69.125 138.317-168.227 + 92.547 91.596 113.251 -76.317 + 117.929 -81.347 116.947 -83.229 + 95.651 83.590 180.000 180.000 + 133.216 -60.405 161.631 -43.345 + 123.603-145.742 102.720-102.219 + 119.894-111.867 114.323-115.480 + 116.929-118.528 130.255-139.058 + 121.770 0.000 121.597 -80.810 + # 193 total E -8.88959E+01 rmsd from N 2.744 %NC 0.60 1 + 115.634 171.622 151.551 -13.260 + 91.625 75.863 136.991 -43.121 + 91.998 44.112 124.516 121.533 + 90.746 47.249 146.798 -96.881 + 89.865 44.614 123.435-109.807 + 91.157 48.762 155.752 -6.507 + 90.785 45.038 136.474-152.828 + 91.807 73.595 107.858 -97.791 + 90.386 -68.015 127.330-140.622 + 107.148 -70.763 180.000 180.000 + 99.699 -23.782 180.000 180.000 + 93.513 103.512 135.404-159.107 + 93.536 87.893 116.645 -75.918 + 124.983 -90.709 120.488 -78.059 + 95.293 91.335 180.000 180.000 + 133.194 -73.809 140.706-127.519 + 120.136-112.317 110.185-116.129 + 120.478-136.083 110.362-109.309 + 118.233-118.658 120.152-124.336 + 121.891 0.000 121.540 -81.078 + # 194 total E -8.70901E+01 rmsd from N 2.442 %NC 0.53 1 + 114.917 159.735 146.519 -23.638 + 91.604 87.857 138.187 -12.267 + 90.305 47.874 127.897 113.939 + 89.423 43.417 149.355 -93.773 + 89.736 48.516 123.317-131.395 + 89.865 49.406 156.727 32.905 + 90.376 42.721 137.159-139.134 + 92.399 72.843 131.308-135.545 + 91.213 -65.766 137.897-117.725 + 108.115 -56.837 180.000 180.000 + 115.227 -51.379 180.000 180.000 + 93.202 83.858 138.873-166.203 + 92.661 111.362 112.555 -76.796 + 93.789 -72.597 134.814-161.254 + 96.984 83.457 180.000 180.000 + 132.098 -89.082 138.335 -37.148 + 120.658-110.343 119.616-123.636 + 119.640-117.121 111.583-111.786 + 118.217-118.628 117.946-121.988 + 121.890 0.000 121.518 -81.089 + # 195 total E -8.76097E+01 rmsd from N 2.776 %NC 0.60 1 + 93.856 102.919 146.924 -11.064 + 91.383 71.596 137.678 -41.313 + 91.381 45.249 123.303 120.329 + 90.241 47.070 145.374 -93.524 + 89.926 44.542 117.948-124.853 + 91.051 47.292 152.683 2.771 + 91.114 42.361 135.951-152.975 + 92.528 72.963 136.283-133.626 + 91.778 -67.550 135.083-114.246 + 114.116 -49.358 180.000 180.000 + 121.147 -57.093 180.000 180.000 + 93.811 69.011 132.406-155.134 + 92.589 117.042 120.909 127.943 + 113.126 -72.253 124.153-134.825 + 94.267 75.233 180.000 180.000 + 125.499 -74.239 144.635-122.998 + 120.566-112.756 109.661-114.953 + 119.456-135.580 116.749-117.837 + 118.454-118.573 118.781-120.979 + 121.877 0.000 121.509 -81.068 + # 196 total E -8.75662E+01 rmsd from N 2.326 %NC 0.53 1 + 93.875 124.139 148.190 -7.334 + 91.438 85.310 134.348 -31.609 + 91.266 45.115 96.204 -82.753 + 89.583 45.966 147.534 -94.619 + 89.561 44.601 118.469-127.408 + 90.472 49.206 165.150 103.161 + 90.911 43.009 137.220 -53.242 + 92.806 72.732 134.853-134.543 + 90.739 -69.568 129.937-139.068 + 101.781 -63.413 180.000 180.000 + 96.800 -32.355 180.000 180.000 + 93.302 106.962 140.613-168.187 + 94.789 102.878 114.939 -76.887 + 124.371 -97.618 120.280 -76.133 + 95.088 80.032 180.000 180.000 + 129.008 -68.987 127.751 -91.494 + 118.183-111.032 109.783-114.420 + 119.845-137.678 110.124-110.273 + 117.579-118.292 124.059-130.492 + 121.839 0.000 121.537 -80.985 + # 197 total E -8.98133E+01 rmsd from N 2.309 %NC 0.47 1 + 93.712 62.130 109.735 -80.371 + 91.590 80.169 129.217 -29.705 + 91.902 43.827 94.253 -83.063 + 91.068 43.883 147.797 -99.955 + 89.994 42.943 119.787-112.659 + 90.935 52.624 164.437 10.540 + 90.450 45.967 131.788-166.173 + 91.614 74.451 107.904-103.013 + 90.419 -65.150 129.894-137.796 + 103.313 -66.289 180.000 180.000 + 98.751 -31.896 180.000 180.000 + 92.860 104.251 139.912-168.550 + 94.410 102.663 113.480 -77.140 + 122.639 -95.133 120.023 -77.531 + 94.750 80.948 180.000 180.000 + 130.852 -69.225 129.167 -95.059 + 118.928-107.699 109.974-114.352 + 118.483-139.143 110.439-111.419 + 117.241-118.171 126.978-136.228 + 121.772 0.000 121.483 -80.878 + # 198 total E -8.72498E+01 rmsd from N 2.217 %NC 0.60 1 + 93.871 102.200 145.994 -10.879 + 91.380 71.816 139.020 -40.722 + 91.227 47.046 134.638 111.541 + 90.592 46.443 145.759 -95.008 + 89.987 42.528 119.623-118.778 + 90.785 60.036 158.101 -97.586 + 90.203 40.486 148.756-158.581 + 91.612 67.814 103.400-105.915 + 91.230 -67.674 130.806-128.585 + 107.111 -61.759 180.000 180.000 + 99.316 -31.875 180.000 180.000 + 92.572 104.558 101.985 -85.989 + 94.041 120.517 113.241 -77.453 + 108.880 -79.768 117.563 -79.886 + 94.966 71.687 180.000 180.000 + 130.785 -82.271 116.005-102.898 + 118.980-104.864 120.347-127.687 + 116.611-138.196 107.844-108.370 + 117.550-118.749 125.407-135.152 + 121.832 0.000 121.638 -80.909 + # 199 total E -8.69920E+01 rmsd from N 2.414 %NC 0.60 1 + 116.544 169.862 144.933 -10.839 + 91.431 79.244 135.573 -26.780 + 93.231 34.513 172.335 14.011 + 92.059 50.670 142.795 -92.874 + 90.253 40.933 114.852-125.459 + 90.704 50.621 164.478 30.347 + 90.662 44.064 137.343-173.047 + 92.156 74.808 137.128-130.524 + 90.407 -64.141 134.022-133.756 + 104.041 -66.926 180.000 180.000 + 98.842 -32.447 180.000 180.000 + 92.860 102.579 139.367-167.708 + 93.412 107.022 113.554 -78.161 + 121.743 -98.066 122.331-135.371 + 94.447 76.625 180.000 180.000 + 128.949 -67.656 124.902 -93.738 + 118.451-106.988 111.123-115.903 + 119.369-142.641 110.636-111.255 + 119.139-102.156 124.383-131.014 + 120.007 0.000 117.587 -80.067 + # 200 total E -8.69946E+01 rmsd from N 2.415 %NC 0.60 1 + 116.881 169.901 145.064 -10.778 + 91.425 79.225 135.566 -26.823 + 93.236 34.539 172.357 14.070 + 92.036 50.691 142.830 -92.888 + 90.264 40.871 114.783-125.608 + 90.712 50.676 164.688 30.684 + 90.676 43.960 137.411-173.129 + 92.149 74.910 137.077-130.659 + 90.385 -64.174 133.565-134.232 + 103.970 -66.787 180.000 180.000 + 98.703 -32.296 180.000 180.000 + 92.894 102.684 139.393-167.676 + 93.437 107.090 113.652 -78.033 + 121.548 -98.035 121.814-135.813 + 94.479 76.607 180.000 180.000 + 129.071 -67.489 124.698 -93.873 + 118.427-107.023 111.151-116.064 + 119.353-142.520 110.619-111.127 + 119.182-102.133 124.328-130.893 + 120.072 0.000 117.459 -79.876