+++ /dev/null
- jlee = 1 nbank = 100 nstep = 100 111021 0 4517.92081
- # 1 total E -4.51474E+01 rmsd from N 0.000 %NC 0.00
- 122.766-128.320 151.004-100.751
- 132.552-177.185 130.728 -10.078
- 117.551 167.461 147.712-143.780
- 92.727 -10.778 131.125 -77.983
- 117.898-114.164 159.762 23.568
- 137.881-111.094 167.210 157.534
- 92.363 32.150 101.704-123.633
- 97.279 105.806 155.956 2.174
- 137.843 167.033 173.671 3.135
- 96.641 93.824 107.071 -73.078
- 124.502-113.991 144.255-113.686
- 123.010 18.154 118.980-120.523
- 117.276-149.814 146.682-156.602
- 119.058 65.242 125.429-105.660
- 94.713 111.762 138.377-151.174
- 128.378-114.809 137.211-128.053
- 94.740 86.141 136.568 -85.362
- 93.684 64.125 114.365 -41.503
- 123.014 153.621 106.493 92.883
- 116.227 2.293 151.257-151.712
- 132.604-170.300 0.000 0.000
- 131.243-168.112 163.289 141.357
- 119.642 -93.733 133.963 -84.506
- 93.101 87.521 134.838-157.742
- 97.154 101.759 110.026 -76.130
- 93.815 61.228 142.147 -42.914
- 96.244 166.366 125.059-137.016
- 121.312-105.177 156.764-161.347
- 123.205 -97.918 156.311 -20.596
- 122.334 102.893 122.493-128.569
- 96.709 116.935 115.391 -77.236
- 138.326 177.817 136.923-140.772
- 95.382 10.098 115.124 -75.530
- 116.242-179.901 146.075 -84.187
- 140.104-163.185 114.207 -82.129
- 111.291-106.385 146.109 -33.096
- 108.777 -82.813 156.862-172.156
- 127.932-108.465 142.996 -79.335
- 138.169 112.394 142.138 162.429
- 91.991 -2.227 129.311 -75.973
- 99.351-103.422 123.506 -92.022
- 122.558-124.676 169.030 -46.830
- 136.809-117.937 168.736 4.871
- 112.875 -86.709 133.745-134.114
- 96.603 101.574 145.828 -13.551
- 91.915 0.000 128.220 -75.419
- # 2 total E -4.46006E+01 rmsd from N 0.000 %NC 0.00
- 125.607 -98.044 136.541 2.481
- 118.070 111.425 132.927 -49.771
- 137.184-176.915 170.451 174.593
- 91.631 64.477 128.789 -75.869
- 94.072 92.210 108.324 -76.860
- 94.199 74.435 137.990-113.561
- 92.794 -0.031 101.282-112.598
- 115.715-177.742 159.614 -16.377
- 127.988 167.391 165.244-125.630
- 125.094 -10.049 157.194 -0.288
- 94.492 76.916 148.301 -32.421
- 138.013 172.343 102.453 -88.045
- 125.072-176.389 146.805 34.427
- 93.290 61.921 142.676 -46.066
- 94.454 103.073 138.434-149.920
- 93.696 20.399 109.556-109.913
- 108.952-171.687 139.798 12.383
- 93.364 64.462 144.773 6.318
- 95.596 103.784 88.162 97.270
- 114.540 -18.328 158.699-156.290
- 110.493 -67.657 0.000 0.000
- 107.371 160.066 136.495-104.324
- 96.187 63.735 140.450 -91.753
- 92.753 60.968 142.429-100.200
- 94.168 92.713 118.355 -72.599
- 93.451 52.374 147.440-143.310
- 97.512 171.560 129.973-124.375
- 130.774 174.072 165.249-170.433
- 95.255 84.362 144.022-120.623
- 129.699 -97.126 115.466-116.117
- 118.575 3.223 146.029-115.288
- 128.129-171.045 127.847 -2.842
- 120.182 -86.481 137.476 -16.604
- 124.815 -97.681 134.082 -69.664
- 90.431 71.726 106.782 -81.563
- 91.255 82.540 144.954 -35.371
- 91.507 78.449 146.769 -37.556
- 92.083 74.320 128.334 -75.657
- 127.385 178.481 136.034-138.265
- 100.670-118.113 130.236 -76.727
- 98.536 -6.514 129.556 -89.172
- 125.233 152.542 129.081-102.304
- 116.506 64.786 159.431 157.863
- 117.294 178.050 147.026-158.799
- 121.259-159.748 154.949-146.094
- 121.719 0.000 147.084 -82.315
- # 3 total E -4.40360E+01 rmsd from N 0.000 %NC 0.00
- 122.598-127.497 150.402-116.624
- 94.263 -1.851 112.747 -73.694
- 112.005-162.011 108.673 -73.625
- 128.496-171.410 141.548 -77.465
- 114.448 -89.274 126.660-124.881
- 106.191 -2.489 159.570 170.903
- 94.061 72.441 101.786 -75.075
- 139.838 150.849 149.670 67.269
- 112.315 141.460 159.263 -2.317
- 96.629 74.974 86.369-102.548
- 95.372 169.664 136.442-127.213
- 115.732 9.311 137.083-150.343
- 107.037-169.538 143.290-137.584
- 125.073 176.984 140.949-143.433
- 109.126 0.931 152.717 -26.247
- 111.253-163.294 154.627-106.691
- 133.231-177.254 151.831-119.444
- 93.353 15.478 135.464 -95.592
- 118.141 176.315 134.391 -98.912
- 118.114 45.927 143.214 -7.282
- 111.644 178.555 0.000 0.000
- 129.394 99.499 174.036 11.610
- 121.812-124.398 131.878 -82.940
- 92.277 63.099 132.679-152.660
- 94.250 103.822 116.446 -74.149
- 92.661 78.169 143.583 -94.269
- 93.973 68.743 131.195-135.507
- 120.590 179.600 109.724 -85.666
- 124.269-172.864 112.002 -78.077
- 95.100 13.182 94.379-113.839
- 125.677-175.593 118.135 -82.139
- 128.886-104.931 141.016 -24.832
- 127.932-107.975 120.820 -79.313
- 133.176-164.080 142.698 -64.226
- 95.336 5.108 145.642 -26.873
- 117.911-173.044 158.876 -15.502
- 120.614-146.959 159.539 -20.872
- 133.104-172.951 163.842 -81.594
- 99.651 -78.934 102.611-116.478
- 91.452 69.402 129.349 -76.158
- 112.752-100.099 113.583-109.440
- 127.338-165.289 126.108 63.763
- 94.434 2.162 130.130-111.111
- 115.018-173.260 152.197 -31.256
- 124.630 -92.504 159.901-160.230
- 121.318 0.000 146.733 -82.649
- # 4 total E -4.27146E+01 rmsd from N 0.000 %NC 0.00
- 123.144-119.466 148.947 -68.142
- 93.866 5.907 136.769 -94.313
- 115.710-171.957 150.623-149.132
- 133.513-114.940 140.985-101.196
- 114.102-179.852 165.414 9.764
- 120.096 2.410 142.757 175.207
- 94.591-109.478 113.005 -64.256
- 141.348 177.852 132.775 -75.678
- 90.385 -11.505 128.873-104.322
- 117.188-172.656 159.080-178.220
- 127.108-165.624 159.004 -0.254
- 92.794 62.791 111.641-119.841
- 104.943 166.373 134.247-134.328
- 144.027-176.580 170.511-160.218
- 96.626 99.214 137.507-148.531
- 129.031-124.173 139.220-106.068
- 115.876 -2.724 150.275-102.884
- 93.933 148.743 135.560 -94.378
- 127.725 43.242 126.297 174.589
- 137.156-143.732 170.181 165.859
- 111.411 -2.527 0.000 0.000
- 115.478-178.495 169.723 6.922
- 95.198 64.812 164.901-173.494
- 89.003 63.594 115.132 -58.785
- 89.807 80.822 108.308 -79.842
- 92.196 90.403 147.528 -77.046
- 93.102 65.981 133.831-144.519
- 106.200 -88.549 152.050 -26.752
- 116.826-158.713 160.473-149.334
- 128.944-166.797 117.451-115.578
- 129.478-105.194 121.094 -82.012
- 134.198-110.985 136.243-176.700
- 132.204-172.221 122.660 -79.672
- 118.880 4.165 147.036 -79.280
- 114.836-170.938 147.606-151.366
- 127.216-175.283 162.270-143.670
- 106.143 3.659 154.768-143.793
- 109.209-176.844 143.928 -68.064
- 96.010 7.213 106.426-131.105
- 112.961 174.807 147.951 -82.926
- 94.584 62.508 135.832 -92.330
- 110.589 113.931 111.861 -68.680
- 113.746 68.052 162.275-150.702
- 123.579 173.959 110.976 -87.069
- 127.790-149.547 110.488 -78.226
- 121.719 0.000 147.007 -81.649
- # 5 total E -4.21280E+01 rmsd from N 0.000 %NC 0.00
- 92.045 59.486 137.937-103.983
- 128.563-179.638 142.802 -28.752
- 128.918 179.898 142.429 -12.135
- 100.262-111.768 133.534 -79.856
- 122.843 -15.259 161.121 -5.824
- 111.723-134.674 176.438 175.838
- 89.981 40.764 107.530 -70.058
- 91.685 72.191 144.585 -75.446
- 90.492 70.532 140.113 -54.772
- 88.999 88.441 119.014-149.287
- 124.549-144.495 140.462 -84.699
- 92.051 65.059 104.100-106.998
- 96.181 116.416 128.336-124.103
- 127.681 163.635 148.617 -25.810
- 96.439 79.450 110.416 -85.356
- 135.463 168.796 134.760-101.121
- 125.509-167.104 159.069 163.262
- 94.272 0.016 118.794 -91.221
- 116.833 167.775 91.835 -49.440
- 124.414 174.113 138.961 14.732
- 106.305 -16.292 0.000 0.000
- 130.969-104.042 163.397 20.613
- 131.456 -88.564 112.735 -82.432
- 99.595-157.682 144.076 174.942
- 143.030 -87.382 174.368 -78.240
- 111.958 -86.538 141.035-131.288
- 122.719-164.598 122.129-120.294
- 130.111 -94.481 164.634-165.652
- 117.473 -84.516 156.175 -17.301
- 113.965 15.010 125.603-138.034
- 95.220 101.444 115.922 -77.200
- 132.016 113.807 144.979-160.815
- 123.616 169.102 147.207 -19.526
- 93.169 6.405 129.784 -76.231
- 120.287-157.797 150.495-155.202
- 115.223 -82.699 153.844 -19.777
- 132.839-169.161 171.404-159.776
- 92.959 -2.784 130.762 -76.753
- 120.827-123.942 139.938 157.822
- 136.808-102.867 147.700 -86.943
- 128.877-107.652 122.193-116.287
- 128.394-173.706 119.853 -68.753
- 112.687 -2.935 155.269 -24.164
- 97.065 178.097 144.186-140.821
- 128.796 119.939 152.501 -12.802
- 91.994 0.000 129.511 -76.136
- # 6 total E -4.20494E+01 rmsd from N 0.000 %NC 0.00
- 92.087 144.227 129.752 -53.363
- 121.441-179.726 138.272 91.404
- 128.119 -2.412 145.101 -33.519
- 122.389 0.120 148.036 -99.403
- 119.511 -6.559 135.624 -39.407
- 142.793-108.269 176.437 138.986
- 87.478 58.700 84.608 -96.316
- 90.298 90.776 129.867 -91.602
- 90.648 73.062 122.643 -75.333
- 98.933 18.202 159.377 -11.225
- 118.138 -73.651 162.246 169.682
- 124.571 102.980 114.159-115.138
- 93.120 61.081 145.968 -45.124
- 92.675 79.373 148.458-131.390
- 94.054 115.090 128.389-136.057
- 134.319 -96.856 132.802-120.889
- 107.974 15.423 153.968 -91.330
- 109.367 160.781 137.193 -29.002
- 135.983-170.627 152.448 40.498
- 131.689-118.379 162.447-170.106
- 94.981 48.684 0.000 0.000
- 91.035 60.337 133.592 -95.630
- 89.805 54.244 126.814 -83.907
- 90.742 63.269 118.417-124.353
- 91.714 70.593 110.418 -81.438
- 93.906 82.322 147.018-132.637
- 141.684 175.139 150.850-154.911
- 117.618-176.591 113.720 -81.605
- 132.587-171.358 169.976-170.196
- 94.554 13.683 99.009-118.569
- 114.454-176.451 120.035 -78.300
- 93.776 -8.402 110.569 -63.572
- 121.239-146.649 123.085 -78.587
- 92.504 61.184 129.835 -76.397
- 96.280 122.672 140.235-144.136
- 122.027-178.544 157.875 -19.898
- 92.776 66.696 153.467-146.331
- 92.268 123.901 128.787 -74.462
- 92.706 30.335 109.528-113.241
- 106.095 157.803 145.473 -82.372
- 130.437-113.972 143.668 -80.082
- 108.593-104.451 119.512 -63.410
- 124.533-112.067 154.428 -8.959
- 120.450-103.475 153.058 -24.022
- 120.566-161.398 158.083-153.649
- 123.638 0.000 146.864 -89.384
- # 7 total E -4.13470E+01 rmsd from N 0.000 %NC 0.00
- 123.045-119.240 149.718 -57.638
- 125.716-167.079 152.103 -26.282
- 93.232 68.598 149.074 169.604
- 90.255 80.767 128.731 -74.646
- 91.971 74.633 97.467 -85.689
- 93.256 62.825 130.220-126.144
- 93.921 108.903 89.203 -92.380
- 151.649-116.189 127.428 -88.163
- 117.834-171.514 172.348-132.071
- 114.537 4.176 150.469-163.965
- 109.303-164.863 151.686 -31.041
- 111.337 126.617 126.979-140.191
- 101.006 -0.291 138.798-139.826
- 107.488 165.737 150.662-135.111
- 144.108-156.738 126.876 -88.915
- 119.210-166.182 153.863-125.519
- 138.327-176.303 147.660-108.986
- 93.094 8.970 136.051 -98.045
- 117.120 179.365 100.036 -36.861
- 111.044 123.780 142.751 -4.180
- 98.810 47.885 0.000 0.000
- 130.961 177.668 175.198 13.512
- 131.695-164.609 161.147-125.223
- 94.149 3.887 146.471-130.281
- 131.911-170.903 117.403 -78.700
- 125.957-110.522 137.940 -86.583
- 115.580 -5.017 115.339-125.615
- 115.084 172.154 154.162 -27.217
- 96.796 75.461 143.312-113.408
- 105.409-176.095 101.793-118.548
- 128.647-109.753 150.338 -97.086
- 133.573-108.502 130.054 -6.583
- 126.689-166.381 146.011 -35.002
- 115.085 53.906 142.112 -80.490
- 100.504 166.860 141.441-138.148
- 131.226-169.374 150.347-147.092
- 118.875-105.382 154.898-122.971
- 126.217-105.673 152.312 -79.109
- 126.488-107.565 144.301-171.741
- 129.415-104.726 147.952 -82.179
- 128.680-111.373 123.860 -91.955
- 118.020 178.093 115.702 -60.214
- 118.800 92.279 154.701-162.170
- 118.625 115.400 110.612 -86.610
- 95.990 52.926 143.278-130.875
- 91.932 0.000 129.344 -76.148
- # 8 total E -3.96489E+01 rmsd from N 0.000 %NC 0.00
- 92.032 59.574 138.673-106.102
- 125.171 178.058 147.434-116.118
- 111.040 0.075 149.266-149.605
- 119.264-179.123 139.701 -61.898
- 93.101 18.662 140.658-114.166
- 126.767 153.209 176.429 151.356
- 96.948-145.449 116.093 -66.153
- 128.730-113.779 160.147 96.326
- 122.653 -4.338 151.254-120.492
- 96.450 121.141 124.421-138.854
- 106.404 147.575 148.615 -96.960
- 96.181 91.196 125.905-146.353
- 111.506 -6.284 140.359-145.602
- 109.885 175.909 149.973 -24.652
- 122.139 176.612 145.379 171.615
- 121.966 -93.262 149.894-146.477
- 115.395-107.476 154.666 -87.261
- 140.540 177.300 143.934 -71.331
- 102.113 167.159 101.722 32.354
- 140.100-177.501 155.697 -12.972
- 103.143 10.602 0.000 0.000
- 129.995-161.266 118.393 -93.623
- 129.726 -98.823 137.334 -89.250
- 124.378-103.405 132.472-130.320
- 141.244-154.355 126.748 -82.023
- 121.070 -98.013 164.028-163.572
- 117.323 -4.813 129.469-137.595
- 118.725 171.253 151.411 -22.376
- 128.770-168.961 114.822 -78.586
- 123.558 5.799 123.742-131.253
- 123.156 1.290 120.866 -80.109
- 103.369-165.490 138.696-119.096
- 124.170 70.709 121.937 -78.358
- 92.252 95.280 130.627 -76.222
- 95.199 42.096 145.475 -27.386
- 94.917-172.969 149.906 -33.554
- 133.501 -92.285 172.144 -1.027
- 139.027 -97.151 143.370 -72.879
- 124.092 -7.367 129.802 71.310
- 125.592-123.786 150.320 -86.906
- 130.219 118.731 138.114-120.854
- 111.810-177.916 111.761 -57.801
- 125.551 0.743 142.073-124.656
- 116.707-172.106 158.190 -29.676
- 127.713-179.068 111.346 -79.660
- 92.249 0.000 129.514 -76.102
- # 9 total E -3.96481E+01 rmsd from N 0.000 %NC 0.00
- 92.618 -91.862 125.515 -76.917
- 120.439-162.725 148.719 -16.977
- 93.893 60.578 111.785 -82.014
- 91.194 84.492 130.298 -76.227
- 92.071 70.435 98.371 -80.417
- 92.292 72.474 139.550-120.105
- 94.932 98.426 94.187 -89.916
- 141.735-179.666 140.327-101.604
- 111.217-156.252 143.672 -29.884
- 115.082 -1.492 147.479-173.154
- 111.066-123.065 151.479 -95.488
- 93.857 68.966 101.512-101.619
- 94.720 104.306 107.079 -83.409
- 127.291 173.752 133.245 -97.808
- 115.352-177.800 152.868 -22.892
- 127.433 -98.096 143.558-155.171
- 116.210-103.019 148.915 -78.449
- 130.076 177.713 149.028 -69.624
- 125.181 175.061 129.255 170.226
- 129.904-179.133 144.457 -6.301
- 110.941 -8.235 0.000 0.000
- 136.913 174.126 170.607 161.169
- 128.527-178.672 176.477-165.892
- 126.622 160.472 147.650-123.981
- 131.897 -12.963 116.259 -79.237
- 111.641 -5.263 156.495 -25.854
- 113.927 177.597 125.138-114.971
- 135.561 169.398 158.871 -12.854
- 95.320 80.146 147.578 -24.182
- 122.375 80.827 120.773-127.119
- 131.903-172.001 129.141 -82.737
- 120.439 -0.257 133.146 -56.564
- 122.959-178.054 119.198 -78.461
- 133.549 174.357 148.390 -80.383
- 105.036 -2.881 142.015-148.415
- 116.392-148.697 152.273 -18.212
- 131.402-110.936 176.388-163.624
- 131.243-103.234 156.418 -89.461
- 122.517 -0.460 140.874 171.907
- 129.793 166.074 150.102 -85.517
- 127.626-111.658 123.479 -66.694
- 116.539-106.687 119.325 -63.534
- 122.320 -96.780 161.527 -4.490
- 116.759-109.739 146.720-142.068
- 125.416 -59.763 150.588 -17.521
- 92.084 0.000 129.452 -76.158
- # 10 total E -3.95554E+01 rmsd from N 0.000 %NC 0.00
- 92.226 145.233 139.027 -80.675
- 128.547-171.586 134.124 23.867
- 96.403 14.453 108.960 -81.581
- 119.804-176.564 145.067-109.775
- 122.905 -92.578 130.278 -43.618
- 102.583 -90.835 138.683 166.247
- 92.990 3.708 107.046 -81.570
- 114.679 129.915 159.689 -22.419
- 92.689 -6.301 151.923-121.762
- 131.598-173.578 142.222 12.492
- 109.450 -80.805 152.969 155.277
- 105.249-172.084 101.136 -96.661
- 120.899-178.918 136.016-166.597
- 92.505 61.971 144.391-115.810
- 91.492 92.936 138.263-144.009
- 91.853 68.886 115.506 -99.319
- 92.625 95.916 134.336 -77.630
- 93.116 62.670 136.349-103.949
- 120.590 172.509 148.478 58.649
- 97.039 22.001 144.912-136.981
- 112.253-171.142 0.000 0.000
- 137.230-108.131 118.595 -90.435
- 122.158-106.495 160.757-157.521
- 91.838 57.705 135.161-126.340
- 93.130 93.170 112.177 -76.952
- 94.176 70.631 153.643-148.483
- 126.703 172.603 156.282-138.449
- 130.529-163.781 113.440 -79.937
- 123.004-166.302 152.299 -11.631
- 96.138 61.894 87.814 -96.701
- 140.500 169.631 159.403 -96.552
- 125.594 172.154 131.807 38.023
- 94.901 4.385 114.000 -73.778
- 124.988-113.077 141.812 -73.036
- 94.823 16.558 107.618 -81.047
- 110.390 172.141 150.945-108.249
- 122.979-176.465 137.159 -98.942
- 93.020 0.281 129.972 -76.429
- 121.565 178.736 152.676-123.235
- 102.956 -3.472 148.785 -81.774
- 109.513-163.231 115.501-121.985
- 134.618-107.386 139.711 -56.078
- 130.053-168.914 164.773-168.583
- 106.853 -3.315 109.540 -86.079
- 114.188 162.029 147.684 -20.152
- 122.592 0.000 149.554 -87.897
- # 11 total E -3.94676E+01 rmsd from N 0.000 %NC 0.00
- 122.642-127.334 151.472-103.990
- 132.186-178.325 133.094 -13.901
- 120.548 177.218 152.966-155.244
- 132.250-178.623 144.377 -89.817
- 117.838 -1.160 122.267 -80.844
- 146.762-113.374 98.599 -91.718
- 114.214-158.366 144.326 -30.666
- 132.410 104.629 166.539-117.696
- 92.620 104.427 143.889 -90.823
- 110.615 -66.005 121.193 -45.120
- 92.286-161.064 137.420 -48.139
- 116.694 118.640 132.710-147.642
- 91.567 38.641 100.778 -84.356
- 91.778 62.202 139.765 -44.598
- 92.228 46.185 134.031-131.105
- 93.890 71.017 114.551-130.245
- 95.505 61.486 115.087 -62.328
- 146.193 161.073 127.939 47.733
- 94.441 54.118 92.351 153.873
- 112.882 -58.391 147.490 -14.845
- 117.186 179.771 0.000 0.000
- 128.825-105.266 125.403 -95.037
- 129.637-112.853 160.661-172.587
- 115.413 107.964 119.860 72.009
- 120.771 167.639 115.131 -79.710
- 129.046 102.324 158.056-134.023
- 116.427 -7.941 144.798 145.951
- 108.491 -5.645 118.923 -87.492
- 125.284-106.864 111.786 -74.933
- 121.776-160.248 134.520-147.346
- 137.962 2.540 122.367 -83.872
- 141.169-125.112 140.327 -17.185
- 136.098-106.538 123.921 -78.381
- 128.372-105.394 138.996 -88.772
- 89.495 61.167 136.883-144.342
- 90.821 72.731 121.239 -82.393
- 91.214 79.378 145.739-137.058
- 92.384 79.360 128.741 -75.469
- 132.517 166.123 135.855-135.056
- 92.883 5.097 129.594 -76.245
- 115.456-174.306 146.608 -99.674
- 133.094-179.387 139.609 -61.849
- 118.966 64.364 154.127 -19.730
- 125.795 171.931 150.506 -6.153
- 95.636 80.163 106.107 -80.266
- 91.896 0.000 128.933 -75.917
- # 12 total E -3.94598E+01 rmsd from N 0.000 %NC 0.00
- 92.033 61.004 137.657-103.738
- 130.572-112.473 138.098 -19.299
- 120.874 -96.139 147.291 -19.646
- 123.660-162.101 144.961 -74.919
- 109.388 13.707 140.645-144.953
- 110.428 99.291 147.544-174.477
- 137.017-178.246 139.542 -71.219
- 126.410 171.268 156.169-104.198
- 113.277 -5.387 153.824 -31.844
- 107.127-134.971 98.975 -76.865
- 140.362-100.968 157.483-105.280
- 104.086-158.513 92.626 -83.261
- 140.265-107.275 158.624 -25.753
- 122.992-114.061 144.522-152.398
- 95.814 36.149 140.413-146.793
- 93.055 66.730 147.612 -76.455
- 91.247 81.985 151.118 -61.420
- 91.616 80.056 123.609-144.020
- 92.252 84.678 120.247-113.407
- 120.975-174.015 141.232 -28.045
- 95.912 50.410 0.000 0.000
- 125.878 -4.157 176.420 152.921
- 127.696-114.683 165.762 178.883
- 132.017-163.040 116.770 -84.769
- 117.441 -14.290 147.776-127.907
- 132.709-160.935 134.719 133.947
- 132.313-129.462 138.205 142.100
- 97.118 27.650 108.537 -89.360
- 98.098 77.290 146.113 -27.680
- 120.078 66.997 129.042-138.822
- 143.815 174.391 133.944 -86.112
- 92.928 -5.580 134.870-107.419
- 111.812 177.125 138.970 -43.692
- 140.690 156.347 163.699 -76.848
- 95.497 -10.308 145.772 -21.248
- 108.281-103.548 150.339 -12.017
- 109.739-172.669 154.168-118.252
- 92.967 78.034 130.362 -76.490
- 94.160 95.367 105.244-100.361
- 125.921-136.902 150.645 -86.737
- 94.118 63.363 93.050 117.383
- 93.069 90.507 122.408 -59.607
- 92.334 69.009 152.793-141.371
- 95.282 87.569 140.275-143.490
- 121.379 120.038 111.225 -79.617
- 119.948 0.000 147.196 -93.496
- # 13 total E -3.94314E+01 rmsd from N 0.000 %NC 0.00
- 122.645-127.528 151.331-104.470
- 132.136-177.362 133.321 -15.646
- 120.410-176.239 152.783-155.050
- 130.640-107.832 145.967-100.300
- 123.594-174.826 165.809 5.635
- 145.254-178.403 159.290 18.650
- 116.940 111.873 140.637 -57.855
- 96.905 52.421 136.906 -86.877
- 93.974 166.265 152.442 -45.700
- 124.782 -4.754 158.366 -13.982
- 108.360-157.270 156.466 -28.799
- 94.161 58.410 130.568-152.749
- 91.505 73.042 114.696 -73.360
- 92.070 81.572 144.785 -52.157
- 95.376 75.296 151.188 -35.199
- 126.242-112.387 145.748-123.926
- 120.724 119.837 155.168 -87.319
- 93.225 -0.512 133.672 -94.133
- 108.406 -97.828 110.732 -37.170
- 95.776 -29.547 143.994-134.081
- 134.507-115.622 0.000 0.000
- 105.130-166.429 134.746-111.703
- 92.249 66.309 133.066 -88.155
- 91.169 65.825 100.485-103.737
- 90.336 73.829 115.832 -73.789
- 91.997 81.761 138.925-150.190
- 94.402 95.840 131.907-126.779
- 130.070-167.033 114.574 -87.369
- 124.583-105.804 152.557 -25.702
- 126.097 107.210 115.201-115.298
- 116.322 -3.811 119.233 -79.494
- 120.212-172.526 147.654-137.447
- 132.624-177.976 123.266 -79.132
- 92.304 73.408 129.861 -76.367
- 91.353 72.530 105.732 -81.882
- 90.722 74.353 157.211-168.741
- 91.765 86.654 143.832 -37.350
- 92.923 112.651 128.450 -75.712
- 136.899 176.618 134.147-134.248
- 92.870 10.627 129.589 -76.229
- 111.423-168.108 146.672 71.206
- 134.953 -91.040 141.056 -54.613
- 116.637-117.192 143.948 -37.508
- 94.910 -1.171 140.639-140.685
- 116.913-151.785 102.210 -77.146
- 122.930 0.000 147.445 -85.873
- # 14 total E -3.82422E+01 rmsd from N 0.000 %NC 0.00
- 92.033 59.432 137.405-103.222
- 133.950-178.587 136.778 -54.086
- 126.371-113.824 155.890-161.799
- 135.969-102.374 135.996-111.864
- 112.875 169.859 162.540 11.800
- 118.236 19.746 141.105 174.296
- 95.638-103.746 109.876 -78.420
- 129.082 170.440 160.513 -87.376
- 110.983-178.811 150.973 -22.248
- 94.384 84.927 133.236-142.269
- 92.748 85.808 145.399 -33.751
- 118.999 72.668 106.418-106.876
- 95.307 10.737 106.356 -83.605
- 113.809-171.147 152.402 -24.587
- 93.250 66.681 145.054 177.213
- 90.643 87.341 132.316 -89.808
- 92.619 83.487 116.193 -80.118
- 93.439 125.847 137.874 -98.909
- 108.129 -7.049 113.292-137.837
- 112.080 -1.471 150.540 -22.957
- 128.585-178.672 0.000 0.000
- 130.761-177.154 166.812 12.469
- 122.856 173.644 162.451-160.844
- 132.254-161.323 159.555 -56.534
- 118.359-174.822 120.279 -78.143
- 129.701 65.476 154.775-146.882
- 126.415 173.167 133.778 131.453
- 115.790-125.262 150.780-136.685
- 131.347-116.984 113.060 -78.480
- 122.613-171.604 125.101-132.446
- 95.274 -4.486 115.548 -77.265
- 113.575 150.960 150.425-121.831
- 136.677 170.370 127.633 -82.463
- 109.788 1.337 145.815 -81.426
- 107.142-163.767 138.026 2.161
- 93.725 5.606 147.436-123.761
- 125.574-166.395 154.037-134.202
- 132.771 -84.944 144.610 -69.853
- 114.726-120.759 135.681 -48.584
- 92.293 47.391 128.783 -76.111
- 93.995 65.552 128.595 -76.054
- 94.978 94.424 130.409 -80.286
- 129.433-113.888 150.201-158.394
- 122.619-177.618 150.743-160.194
- 126.086-163.195 149.737 -18.627
- 121.734 0.000 148.069 -82.169
- # 15 total E -3.80806E+01 rmsd from N 0.000 %NC 0.00
- 123.188-124.809 148.055 -54.531
- 114.171 0.480 155.422 -13.225
- 96.055 172.369 142.602-124.077
- 93.211 -0.118 129.600 -76.683
- 130.892-171.010 161.606 11.431
- 122.082 19.504 167.194 176.229
- 96.079-179.946 82.885 -89.267
- 155.168 160.333 136.215 -96.901
- 90.897 57.924 136.452 -92.444
- 111.511 25.267 143.756-145.913
- 94.758 179.746 138.211 -52.608
- 113.802-167.523 136.475-153.842
- 120.591-170.061 145.697-149.304
- 121.803 9.088 158.156-149.689
- 95.568 157.198 138.577-146.203
- 119.546 4.753 141.986 168.855
- 123.468-163.041 157.929-123.390
- 114.028 12.739 147.844 -46.145
- 95.694 153.315 131.504-160.634
- 134.033 178.461 111.249 -81.862
- 129.528 -18.962 0.000 0.000
- 137.191-112.534 144.490 95.274
- 126.649-124.202 136.763 -94.997
- 92.502 67.407 136.961-149.828
- 97.085 140.509 110.257 -74.877
- 121.387-173.569 152.172-123.753
- 121.970 58.796 104.190-110.505
- 124.644-108.909 111.045 -82.593
- 94.427 55.823 147.963 -24.473
- 117.680 176.908 119.690-127.581
- 131.970 141.265 166.692 -79.255
- 106.447 60.297 144.829 10.648
- 123.843-172.297 113.225 -75.825
- 92.998 55.881 129.219 -75.427
- 93.577 53.765 143.659-143.471
- 92.687 90.183 169.052-154.006
- 93.093 58.941 143.764-160.269
- 93.863 155.408 129.953 -75.417
- 136.342 177.249 138.834-131.467
- 92.937 0.099 129.584 -76.245
- 116.513-162.996 145.812-103.318
- 132.683-112.214 144.265 -55.544
- 115.225 0.514 150.174-112.670
- 113.168-173.737 110.122 -87.308
- 125.544 -97.235 157.684-156.488
- 122.031 0.000 146.712 -84.701
- # 16 total E -3.78866E+01 rmsd from N 0.000 %NC 0.00
- 92.046 61.316 137.819-102.627
- 132.732-112.446 138.638 -39.567
- 116.026-172.514 140.607 -17.596
- 92.840 82.254 131.333 -78.007
- 96.667 76.137 164.084 3.177
- 129.058 167.090 106.294-100.255
- 93.899 1.823 104.611-127.781
- 112.193-152.395 158.793 -59.669
- 129.723 178.968 176.423 -0.796
- 114.471 6.147 168.405 -5.102
- 94.882-160.547 145.159 -39.753
- 109.662-164.989 98.769 -91.557
- 91.214 99.534 136.719-155.674
- 90.772 72.703 127.179 -97.248
- 91.000 74.870 134.151-139.396
- 92.271 89.726 130.857 -97.187
- 93.658 62.890 126.435-108.397
- 118.485 146.670 145.679 -31.603
- 123.364 123.048 136.185-158.705
- 128.483 -82.590 109.540 -71.617
- 107.700 -16.855 0.000 0.000
- 126.348 147.012 173.143 164.571
- 120.052-110.757 137.374 -79.838
- 91.801 59.603 132.394-153.951
- 93.794 97.183 113.400 -75.218
- 93.139 61.619 156.921-114.756
- 96.234 163.277 130.681-138.463
- 130.373-105.252 157.566 -17.066
- 130.503 -98.387 170.998-170.117
- 121.308 15.778 119.891-127.714
- 137.150 178.797 154.821 -10.979
- 119.594-167.352 122.898 -68.981
- 130.778 -97.874 176.050 -79.581
- 130.529-130.675 149.601 -94.761
- 96.508 -4.524 146.962 -25.274
- 125.409 172.607 159.108-122.684
- 93.103 0.014 149.564-118.588
- 115.481-176.376 149.611 -77.602
- 132.568 -97.825 130.178 60.894
- 132.341-116.068 140.307 -74.861
- 92.081 61.560 101.701 125.524
- 92.247 103.432 99.840 -68.714
- 93.527 61.096 130.320 -94.890
- 121.049 170.472 112.121 -87.442
- 127.304-175.122 110.681 -78.624
- 92.255 0.000 129.489 -76.084
- # 17 total E -3.78845E+01 rmsd from N 0.000 %NC 0.00
- 92.037 55.800 138.104-104.324
- 93.822 68.294 136.749 -96.117
- 128.279 170.943 148.114 -9.658
- 126.480-172.106 152.748 -79.358
- 136.980-179.571 164.303 162.163
- 113.714 14.086 152.502-165.678
- 97.529-179.151 101.725 -83.898
- 142.537-178.455 135.715-100.100
- 117.572 161.918 134.177 -74.097
- 108.829 -7.434 127.126-143.623
- 118.368 170.509 154.150 -21.596
- 128.681-165.102 117.988-112.529
- 111.792-178.222 137.022-168.966
- 122.419 178.728 151.935-137.803
- 109.436 -0.356 152.575 -25.667
- 104.829-170.978 149.648 -94.312
- 137.941-162.106 146.243 13.491
- 114.643 -83.997 151.032 -66.633
- 121.967-159.005 119.611 6.861
- 135.559 -70.992 108.886 -77.086
- 97.129 8.655 0.000 0.000
- 122.022 114.956 176.414 155.449
- 93.910 71.425 147.606 -99.646
- 92.914 0.343 124.935-105.505
- 121.697 170.488 111.213 -78.094
- 120.580 -4.200 162.002-138.456
- 126.271-171.337 137.363-135.812
- 123.223 177.907 154.712 -18.594
- 128.773 -89.754 114.300 -79.450
- 116.740 -95.684 123.252-134.157
- 137.476-178.510 128.305 -81.848
- 92.849 15.285 135.069-101.226
- 111.521-179.302 116.160 -74.346
- 117.768 62.321 140.596 -82.547
- 99.323 169.052 141.241-139.542
- 128.132 -94.254 148.783-141.091
- 111.430-107.167 139.390 -91.714
- 91.819 54.112 130.432 -76.451
- 92.676 93.431 111.925 -91.896
- 108.876 63.107 131.704 -93.712
- 133.155 173.605 163.450-159.334
- 133.681-176.719 132.639 -61.962
- 118.985-105.394 152.502 -21.538
- 114.148-109.387 145.713 -52.737
- 123.531-156.010 143.335 -16.610
- 121.071 0.000 147.804 -79.337
- # 18 total E -3.75885E+01 rmsd from N 0.000 %NC 0.00
- 92.031 59.096 137.956-104.893
- 129.031 179.635 141.401-102.853
- 120.597 -2.225 110.955 -70.938
- 94.645 170.471 126.462 -75.198
- 131.880 -12.670 102.638 -96.825
- 116.204 -13.777 162.444 6.702
- 97.653-118.786 102.015-118.886
- 120.251 92.398 158.377 -6.880
- 91.503 66.703 153.628-125.227
- 118.766 157.331 93.028 -98.978
- 124.372-117.462 162.263-121.048
- 93.652 52.758 122.872-141.733
- 94.743 100.113 95.632 -88.694
- 92.514 100.181 155.897-112.263
- 94.707 70.692 107.832 -87.560
- 115.721-179.047 137.002-100.524
- 144.423 150.201 152.938-105.678
- 92.587 -4.994 134.408 -91.966
- 103.009-104.379 112.588 30.871
- 131.948 -56.184 150.855-126.397
- 176.595 126.021 0.000 0.000
- 102.586 160.460 132.662-102.847
- 133.527 93.122 137.479-100.563
- 126.209 -89.314 144.185-112.356
- 99.378-166.219 120.069 -77.772
- 124.098-168.643 141.710-172.243
- 97.177 3.287 133.904-137.182
- 109.115-179.570 151.661 -21.870
- 138.603-119.709 147.358 -38.956
- 112.415 114.038 111.352-116.395
- 151.525-167.145 176.449 -63.167
- 92.214 -75.970 131.675 -95.100
- 120.757-103.297 119.423 -78.457
- 138.045-164.375 146.110 -60.476
- 113.437 163.497 104.957 -84.166
- 129.952 172.888 157.937-142.385
- 120.597 169.440 153.405 -27.077
- 123.801 172.622 145.513 -89.822
- 128.898-111.091 148.752 176.329
- 114.377 -0.438 145.407 -82.058
- 112.790 0.569 110.679-112.288
- 127.215-174.894 158.728 -82.903
- 123.445 175.302 152.855 -92.302
- 97.463 69.140 109.105 -85.673
- 96.108 67.435 139.985-110.455
- 114.835 0.000 146.163 -86.410
- # 19 total E -3.73293E+01 rmsd from N 0.000 %NC 0.00
- 121.594-171.575 144.270 -78.350
- 122.677 173.143 149.401 -64.827
- 142.080-177.173 176.441 169.432
- 91.247 47.044 130.201 -76.723
- 95.874 114.092 176.463 166.667
- 94.548 69.417 169.033 6.809
- 95.578 -13.071 94.655-101.953
- 111.304-133.057 160.161 -31.951
- 134.953 -89.872 169.977 151.663
- 136.605-164.910 148.943 -5.550
- 120.207-108.767 154.316-130.416
- 118.837 5.915 122.176-127.348
- 97.944 147.031 137.149-139.504
- 126.141-139.058 157.438 -8.520
- 92.775 60.062 140.603-142.866
- 94.011 104.588 132.656 -92.320
- 93.479 98.438 147.780 155.412
- 93.434 -92.800 136.563-101.357
- 97.712 114.676 97.354 143.280
- 121.653 -67.481 151.495 -19.233
- 128.133 57.451 0.000 0.000
- 129.515 145.191 176.445 161.841
- 125.116-111.708 141.784 -94.037
- 93.002 89.406 140.767 160.459
- 96.991 80.042 108.749 -79.721
- 121.590 157.121 155.249 -11.583
- 127.207-167.718 133.783 142.138
- 125.886-100.541 112.352 -87.067
- 118.270-106.953 112.322 -78.568
- 125.168 104.151 122.221-127.652
- 95.718 -2.793 114.814 -76.570
- 102.542 177.693 137.997-121.059
- 157.249-173.708 142.596 -90.512
- 127.652-170.333 147.660 -80.072
- 131.295-102.988 149.961-171.761
- 124.585-162.703 150.798 -83.558
- 116.890 102.711 155.460-136.648
- 117.290 102.174 126.140 -70.826
- 92.801 78.784 146.730 104.764
- 92.521 62.783 129.379 -76.427
- 95.711 145.912 131.601 -91.665
- 126.522-121.045 165.776 -38.097
- 115.168 -5.041 145.807-147.558
- 96.890 172.665 138.836-144.529
- 128.301-156.627 151.699 -20.390
- 121.785 0.000 148.059 -81.810
- # 20 total E -3.62855E+01 rmsd from N 0.000 %NC 0.00
- 92.034 59.448 137.618-103.347
- 132.333-170.011 131.307 1.770
- 110.470 -95.095 148.595-146.719
- 123.019-103.828 146.615-101.791
- 132.004-120.708 135.595 -36.718
- 106.820 -96.625 109.200 -63.626
- 95.725 21.455 112.926 159.369
- 125.220-173.053 153.645 -27.950
- 91.426 67.129 158.072-143.557
- 91.891 75.489 133.266-126.684
- 92.780 67.146 144.784 -39.252
- 93.714 76.566 101.625-109.190
- 97.103 -1.273 96.508 -98.027
- 117.990 174.106 151.950 -19.861
- 123.450 171.127 152.076-159.597
- 99.453 -2.654 130.593-132.425
- 116.922-176.974 155.063 -74.004
- 129.034 175.407 154.522 -75.429
- 132.515 165.911 137.917-158.419
- 124.940-170.632 121.124 -77.366
- 111.429 -4.087 0.000 0.000
- 118.208 174.424 176.396 166.297
- 115.281 2.450 166.101-132.965
- 94.118-176.777 126.936-143.731
- 141.232 -2.844 124.996 -85.615
- 123.766-176.017 159.067-153.953
- 131.732-168.421 140.973-138.913
- 122.532-102.503 156.996 -20.436
- 126.430-113.644 116.144 -76.531
- 123.439 11.013 122.366-128.753
- 126.903-176.793 150.487 -98.609
- 132.290-106.077 142.176-139.119
- 130.002-168.754 146.860 -45.423
- 118.992 -1.197 148.985 -81.868
- 96.148 177.805 138.247 -96.746
- 92.441 57.855 147.500 -36.770
- 91.920 101.538 146.859 -28.546
- 91.680 58.405 129.004 -76.459
- 97.857 163.867 89.564-110.641
- 137.141-166.784 157.368 -93.006
- 108.964 2.801 146.378 -80.226
- 113.527 178.969 103.867 -63.083
- 109.928 3.228 152.924-104.531
- 111.106-173.356 143.414-153.404
- 125.999-154.329 162.541-163.673
- 121.903 0.000 147.028 -82.476
- # 21 total E -3.56971E+01 rmsd from N 0.000 %NC 0.00
- 122.693-125.935 151.581-103.482
- 128.858 179.134 144.348 1.292
- 96.027 53.220 144.682-139.184
- 125.776-177.699 153.101 -79.335
- 137.740-128.761 176.455 147.867
- 122.408 -91.342 135.789 131.589
- 125.848-133.898 149.431 -78.067
- 132.853-119.380 158.048 -39.897
- 116.931-110.761 158.124-164.740
- 119.508 35.113 149.453-155.681
- 92.970 88.741 143.938 -28.676
- 95.852 91.369 95.265 -91.892
- 100.388 158.237 136.150-142.754
- 126.782 -4.973 147.514-161.302
- 96.704-179.906 138.078-144.468
- 138.986 164.223 151.165 165.270
- 108.335 98.479 154.022 -90.529
- 133.711-155.713 143.368 -62.814
- 94.054 55.221 141.867-133.356
- 107.956 172.673 111.368 -81.667
- 155.612 164.155 0.000 0.000
- 133.915 160.628 170.115 150.373
- 120.636 -3.977 159.990-103.885
- 94.005-151.644 136.740-102.506
- 141.778-148.637 154.882 -93.860
- 128.651-153.761 171.412 -7.861
- 135.007-100.289 136.832 146.586
- 127.320-164.477 115.104 -87.001
- 125.324 -98.482 165.141-158.841
- 119.235-100.932 122.449-132.079
- 131.933-168.664 123.896 -82.034
- 130.491-106.499 140.489 -48.303
- 120.202-118.340 139.314 -42.192
- 92.059 54.801 129.408 -76.079
- 91.168 67.269 106.242 -82.270
- 91.294 76.886 145.561-118.191
- 92.895 107.444 135.601-127.412
- 94.224-100.789 128.997 -75.720
- 122.642-103.811 138.814 166.164
- 128.699-105.105 147.936 -83.038
- 128.821-106.935 137.270-106.304
- 131.917-166.728 134.460 -61.079
- 123.831-176.670 155.769 -14.346
- 111.223 -1.755 153.072 -26.649
- 120.924-145.560 148.823 -19.798
- 122.597 0.000 148.572 -84.230
- # 22 total E -3.54583E+01 rmsd from N 0.000 %NC 0.00
- 92.108 114.291 137.782-102.892
- 118.006 -3.455 147.988 -52.454
- 117.043-157.819 147.247 -10.617
- 91.620 55.429 148.921 -74.582
- 91.506 49.147 130.901-132.874
- 92.623 42.701 143.782-127.359
- 89.663 47.266 126.067 64.286
- 87.922 52.621 133.336 -97.422
- 88.635 49.259 136.531-117.069
- 93.550 51.280 163.140 -4.299
- 93.959 78.200 146.643-105.271
- 118.393-169.208 128.356-139.528
- 93.334 77.951 106.555 -84.265
- 93.395 96.527 143.439-126.041
- 111.129 100.158 143.848-139.045
- 130.447 173.906 149.184-134.878
- 131.323-179.237 152.536 -32.265
- 93.197 73.274 141.397-102.651
- 94.730 94.822 131.218 75.156
- 96.466 25.463 109.458 -81.236
- 117.910 -77.692 0.000 0.000
- 123.390 175.516 166.929 4.795
- 93.378 63.088 132.932-105.911
- 92.332 75.367 132.651-155.997
- 92.978 70.908 119.380 -75.594
- 116.487 163.519 133.512-116.210
- 130.790-175.540 140.682 148.913
- 130.753-178.676 153.765 -17.296
- 95.734 71.330 147.990 -24.304
- 118.890-176.062 122.541-132.105
- 136.973-116.133 125.071 -79.670
- 119.644-119.793 133.139 -51.202
- 92.788 47.943 114.384 -75.071
- 92.063 65.809 129.782 -76.223
- 91.864 93.058 145.982 -27.958
- 93.189 66.937 132.398-156.536
- 108.521 178.125 148.400 -26.916
- 127.576-163.876 152.530 -84.242
- 116.914 7.861 141.436-171.132
- 100.725 177.383 130.267 -76.800
- 129.088 178.615 129.182-115.782
- 129.937 57.790 167.984 -76.587
- 94.229 170.964 157.538-101.136
- 129.619-115.974 153.837-160.074
- 127.650-155.440 110.382 -77.854
- 121.617 0.000 146.787 -81.509
- # 23 total E -3.53994E+01 rmsd from N 0.000 %NC 0.00
- 92.118 115.299 138.037-102.430
- 118.197 3.534 150.618 -71.548
- 120.481-173.029 143.988 -22.653
- 125.253 173.356 144.403 -72.410
- 95.263 54.950 133.946-136.069
- 96.758 127.470 141.916-158.272
- 123.998-115.543 153.463 -36.003
- 98.816 2.401 142.806 -66.828
- 112.818-177.936 155.449-129.971
- 113.059 9.732 136.406-141.447
- 106.628 172.045 151.830 -28.436
- 119.846-110.586 122.080-125.488
- 109.255-178.271 146.092 -34.769
- 135.178-174.763 150.910-172.810
- 96.663 68.481 129.069-115.839
- 132.273 -88.856 150.163-156.648
- 101.222-166.512 137.568 -71.693
- 132.563-159.200 157.370 14.074
- 106.098 4.554 124.218-177.063
- 108.726 -95.209 150.288 -18.628
- 116.351 -46.433 0.000 0.000
- 106.457 158.843 169.905 2.477
- 122.007 20.971 163.488-177.994
- 101.527 172.589 141.778-175.401
- 119.000-128.968 138.527-139.663
- 94.385 -8.162 146.598 -35.333
- 111.701 175.454 135.746-118.536
- 114.228 60.137 159.828 -13.747
- 96.314 84.421 147.610 -23.244
- 96.228 89.130 95.839-113.719
- 130.402-161.200 127.806 -78.370
- 125.499 -2.981 139.934-103.260
- 96.358 28.621 109.732 -76.231
- 131.074 178.154 158.072 -87.443
- 112.745 41.142 100.154 -82.678
- 93.007 172.147 148.748 -42.706
- 135.051-166.685 145.201-118.821
- 92.830 -0.175 130.174 -76.484
- 127.422 176.485 140.613 -23.702
- 127.227-168.215 147.122 -68.780
- 116.301 15.373 149.085 -95.150
- 95.396 115.350 108.006 -61.636
- 128.266 72.635 158.716 -4.597
- 137.664-124.571 113.004 -81.744
- 95.312 81.260 140.084-125.628
- 91.910 0.000 128.841 -75.978
- # 24 total E -3.46954E+01 rmsd from N 0.000 %NC 0.00
- 92.017 3.645 128.893 -78.369
- 131.956-174.325 145.673 140.618
- 115.513 2.181 109.743 -80.674
- 121.379-172.720 150.829 -80.606
- 130.691 178.473 162.027-179.800
- 113.776 0.050 159.898 4.100
- 109.863-169.984 142.385-167.700
- 121.155 -9.132 155.689 -50.176
- 114.584-144.822 151.747 -18.634
- 124.667 -79.741 143.227 159.202
- 105.845-167.011 147.334 -35.804
- 120.872-172.049 127.845-133.899
- 98.486-168.807 136.971-164.088
- 92.811 60.542 142.247-160.802
- 91.052 64.004 150.133 -33.005
- 90.486 68.358 135.617 -73.299
- 91.588 87.278 131.561 -94.773
- 91.430 87.517 138.661 95.195
- 93.390 63.072 100.671-107.220
- 117.652 -86.105 147.466 -27.231
- 108.682 -21.484 0.000 0.000
- 106.615 157.312 119.784 -85.102
- 116.427 2.816 122.864 -96.857
- 123.667-168.405 129.926 -49.137
- 111.087 -4.623 143.712 -82.443
- 129.403 171.046 157.472-139.061
- 122.747 174.901 175.604-108.916
- 95.505 0.890 144.599-132.127
- 127.540-167.919 110.662 -76.096
- 94.745 82.599 104.764-107.534
- 130.252-172.264 141.081 2.316
- 93.137 5.835 133.703-103.792
- 116.576 179.566 116.037 -74.238
- 106.232 -2.364 159.488 -84.284
- 110.590-170.969 141.699 -13.118
- 92.125 56.664 161.436-148.337
- 91.961 100.356 143.938 -27.400
- 91.513 58.430 128.645 -76.094
- 97.998 159.936 89.185-111.733
- 130.316-110.832 152.926 -92.281
- 126.795-103.828 134.277-106.875
- 129.185-114.680 137.562 -60.225
- 127.170 103.846 160.483-143.873
- 130.923 170.578 111.710 -87.395
- 126.176-157.869 149.652 -18.536
- 122.106 0.000 148.069 -82.269
- # 25 total E -3.42837E+01 rmsd from N 0.000 %NC 0.00
- 122.733-125.692 151.647-102.879
- 131.645-169.132 131.860 27.815
- 95.522 16.246 146.959 -29.803
- 120.468-170.685 142.879 -68.215
- 122.972 171.771 173.669 166.857
- 125.398-113.522 154.219 175.572
- 93.433 30.268 107.492 -66.650
- 95.402 97.299 143.602 -91.898
- 91.281 46.513 139.076 -60.142
- 95.598 175.217 128.270-137.152
- 129.292-178.440 156.705 -13.564
- 91.890 -81.643 132.145-156.689
- 108.234-105.353 150.064 23.632
- 128.392-117.988 151.805-127.774
- 120.934-178.128 149.313-172.674
- 129.831-115.542 159.244-131.983
- 99.914 -1.897 142.311 -91.384
- 101.964 169.666 142.052-106.067
- 141.572 178.584 123.625-109.727
- 108.117 7.180 148.567-145.201
- 118.909-172.192 0.000 0.000
- 116.437-175.257 137.811-108.355
- 143.870-105.127 142.257 -81.392
- 92.372 56.959 128.196 -82.691
- 92.067 92.057 113.157 -74.900
- 93.004 60.686 136.871 -79.722
- 94.960 120.768 151.588-141.471
- 113.539 2.691 156.450 -17.954
- 118.992-112.533 110.508 -76.799
- 119.907-101.711 118.210-124.257
- 121.629 -4.881 121.192 -80.130
- 117.818 0.509 149.080-127.752
- 121.525 176.726 120.331 -77.889
- 135.505-177.123 146.649 -67.978
- 111.755-177.273 145.342-144.703
- 126.869-108.925 148.970-148.593
- 126.066-171.735 164.394-134.885
- 127.200-177.214 150.731 -76.181
- 97.040 2.723 116.769-143.569
- 114.690 179.752 146.975 -81.005
- 95.281 3.854 136.512 -99.105
- 114.478-175.355 115.637 60.919
- 126.122-177.620 156.194 -14.434
- 119.507 178.308 148.053-158.630
- 123.294 -65.684 157.250-159.137
- 92.118 0.000 129.447 -76.133
- # 26 total E -3.42507E+01 rmsd from N 0.000 %NC 0.00
- 115.447 -35.195 153.463 -83.273
- 129.953-176.441 146.978 -13.727
- 95.454 64.090 109.567 -74.260
- 92.654 111.992 151.564 -92.887
- 95.548 18.642 166.320 2.428
- 105.569-128.681 128.499 -45.258
- 92.627 51.466 110.155 -77.150
- 93.714 102.245 159.812 -43.970
- 91.677 66.218 122.508 -78.880
- 92.124 97.609 126.049-143.825
- 123.358-158.491 155.951 -17.942
- 91.764 60.301 131.742-156.326
- 90.492 80.666 134.270-127.733
- 90.924 86.748 127.350 -61.499
- 89.748 69.783 150.843 -36.072
- 93.466 98.732 106.635-114.202
- 131.435-113.406 149.340 -92.017
- 121.372-167.100 150.699 -9.871
- 127.759 -3.156 137.575 148.618
- 97.736 -61.066 100.558 -82.592
- 94.976 155.644 0.000 0.000
- 118.373 124.271 170.101 7.959
- 96.274 55.611 134.077-104.493
- 102.931 152.855 130.479-132.941
- 137.280-177.170 127.747 -86.290
- 108.014 -3.735 151.353 -31.606
- 117.601 177.477 136.946-111.662
- 120.669 65.047 119.258 -84.330
- 126.524-170.205 110.975 -76.521
- 123.409-173.768 122.685-129.637
- 132.687 106.788 123.220 -82.401
- 133.059 167.287 145.618-153.251
- 130.029-175.273 122.439 -79.187
- 133.735-116.048 146.721 -78.925
- 131.435-123.842 163.482 172.537
- 113.368 -92.058 128.430-143.137
- 94.758 1.309 150.055 -31.004
- 94.100 82.642 129.663 -75.996
- 139.749-173.407 147.005-160.486
- 122.859-110.590 151.221 -87.055
- 131.028-109.668 141.406-122.359
- 131.842-106.543 143.051 -59.669
- 117.522-114.018 149.937 -76.248
- 95.802 -5.630 106.249 -84.270
- 115.670-157.666 153.535-138.104
- 92.340 0.000 129.239 -76.291
- # 27 total E -3.42035E+01 rmsd from N 0.000 %NC 0.00
- 118.279 156.601 146.129 -55.498
- 125.379-175.260 144.653 100.197
- 139.249-100.231 105.201 -78.925
- 126.849-143.552 148.380 -78.232
- 119.970 108.298 143.611 138.098
- 101.936 15.675 160.294-152.033
- 93.935 -91.928 93.180 -96.182
- 115.514 173.547 132.073 -66.070
- 91.943 -4.530 128.948-107.888
- 113.014-167.151 154.460-138.110
- 93.159 95.806 149.954 -5.104
- 122.610 -88.451 102.920-101.764
- 109.100-168.686 134.939 173.736
- 93.654 3.186 128.501-146.417
- 107.850-174.227 143.522-149.582
- 146.418-177.778 153.322 -41.634
- 111.269-110.287 144.065 -74.392
- 140.793 175.938 123.620 33.393
- 116.051 -94.281 113.599 -83.170
- 95.388 15.501 144.301-135.599
- 131.131 -4.883 0.000 0.000
- 131.435-170.712 176.430 154.649
- 112.168 6.314 165.429-130.995
- 93.761-173.904 107.713 -87.662
- 127.607 149.335 120.778 -81.949
- 94.247 54.845 143.316-135.422
- 122.860 168.084 142.509 -91.931
- 125.718-108.895 158.634 -11.930
- 123.469-102.819 155.485 -19.148
- 118.910-111.895 123.757-133.025
- 128.182-114.689 152.255 -99.175
- 131.272-111.053 137.244 -25.480
- 125.885-115.752 147.734 -25.142
- 130.304 -1.780 148.831 -77.002
- 96.119-179.356 139.932-134.330
- 124.310 178.560 141.840-131.359
- 93.665 8.435 147.060 -33.430
- 124.622-177.770 149.587 -74.237
- 118.320 -0.683 150.233 -82.637
- 114.978 -1.883 146.753 -84.205
- 125.468-178.285 150.353-104.108
- 125.146 178.973 126.455 -72.042
- 94.995 4.567 147.997 -36.351
- 115.466-173.519 151.566-151.145
- 130.550 122.977 152.170 -14.396
- 92.012 0.000 129.369 -76.198
- # 28 total E -3.42025E+01 rmsd from N 0.000 %NC 0.00
- 92.105 114.989 137.625-103.176
- 130.303-109.258 143.241 -4.272
- 122.676-158.831 143.568 -29.966
- 91.550 48.207 129.733 -76.599
- 92.687 84.899 174.544-176.129
- 93.909 70.099 116.997 -46.449
- 93.370 -2.713 93.950-115.456
- 122.801 177.733 158.470 -13.288
- 131.241 157.563 176.426-161.985
- 96.299 -7.541 124.497-139.568
- 114.999-108.508 174.288-160.577
- 124.180-171.795 112.465-113.001
- 94.539 70.097 144.798 -26.263
- 93.170 99.236 147.238-129.656
- 129.968 113.308 106.123 -94.384
- 129.581-179.243 157.711 -80.711
- 125.510-168.549 147.185 -77.482
- 131.204 179.402 144.923 -47.868
- 114.791 -7.438 131.623-172.137
- 96.491 -59.506 143.949-135.722
- 133.284 -92.142 0.000 0.000
- 129.416-179.668 168.837 166.103
- 133.137-173.471 164.813 -55.577
- 92.586 57.199 133.010-147.904
- 109.608 179.031 114.568 -77.713
- 129.604-170.499 149.738-139.260
- 110.986 -4.208 106.338-113.441
- 116.052-175.752 112.580 -83.622
- 127.941-169.081 169.555-163.783
- 119.301-101.829 123.002-133.175
- 126.311 179.728 122.419 -81.103
- 138.529 162.034 126.737 -42.130
- 122.399 106.773 131.459 48.250
- 92.633 49.694 129.718 -76.509
- 103.351-102.182 103.928 -83.159
- 112.889-174.591 148.129 -28.685
- 108.923 168.297 148.210-136.365
- 134.401-177.518 149.224 -88.057
- 128.476-112.124 141.070 -34.304
- 123.242-122.173 142.213 -77.498
- 93.144 51.201 133.808 -86.134
- 95.897 113.650 98.638 -89.062
- 130.142 174.230 170.149 -5.736
- 122.844 178.725 140.548-149.383
- 130.232 -15.530 112.751 -80.213
- 91.962 0.000 129.206 -76.149
- # 29 total E -3.41914E+01 rmsd from N 0.000 %NC 0.00
- 122.657-126.656 151.559-104.358
- 130.675-171.494 136.975 22.250
- 96.424 13.667 145.006-137.850
- 123.172-175.304 142.185 -79.262
- 134.603-111.984 93.256 -84.574
- 130.649-115.913 83.765 -63.831
- 118.915-107.583 151.461 -30.947
- 127.039-141.648 158.491 -39.380
- 116.830 -1.580 172.277-164.560
- 122.892 7.252 154.452 179.555
- 121.930-113.468 138.951 -84.905
- 107.663 103.551 130.727-147.018
- 128.342 169.162 107.190 -87.843
- 121.650-100.324 162.872-142.287
- 97.165 -2.288 138.769-146.195
- 126.022 1.582 153.863-135.056
- 125.489 178.023 152.403 -59.118
- 119.883 57.052 148.112 -76.433
- 119.492 173.388 122.997 -3.406
- 117.745 -59.035 149.038-133.311
- 119.400 -83.990 0.000 0.000
- 128.530-175.323 170.460 173.504
- 137.191 175.736 133.752 -77.867
- 114.470 0.130 139.409-151.868
- 97.997 112.349 115.602 -75.761
- 93.588 -11.493 153.702-125.431
- 104.915 -98.590 127.215-110.953
- 107.221-175.849 113.205 -80.705
- 94.561 80.378 144.171-141.335
- 94.397 99.070 93.844-119.485
- 94.415 0.013 115.299 -77.242
- 110.385 162.494 126.728 38.733
- 127.568-112.744 147.115 -21.405
- 91.425 52.399 130.256 -76.192
- 91.523 73.681 103.567 -84.262
- 92.668 69.121 140.788-113.194
- 126.895-169.122 172.172 -3.138
- 93.514 17.840 130.712 -76.777
- 124.178 178.010 137.241 -7.471
- 126.075-177.764 139.143 -76.321
- 94.282 -1.516 105.638 129.620
- 110.603 175.151 139.737 -76.543
- 108.047 63.589 150.800 -25.327
- 96.919 114.160 142.274-159.545
- 125.202 123.190 149.021 -20.138
- 92.017 0.000 129.437 -76.140
- # 30 total E -3.40166E+01 rmsd from N 0.000 %NC 0.00
- 122.717-126.922 151.562-105.984
- 131.415-178.214 130.633 -43.240
- 95.883 87.666 142.870 -11.475
- 93.137 65.843 130.792 -77.380
- 130.298-177.707 146.684 14.698
- 110.516 -80.419 135.350 168.054
- 123.905-107.315 125.401 69.040
- 136.237-172.119 161.603 -95.242
- 117.037 37.037 158.500 -0.986
- 96.773 24.630 97.173 -70.988
- 118.933 155.715 139.720 -73.464
- 117.828 -4.702 133.842-146.847
- 96.117 141.659 148.834 -29.077
- 140.316 161.906 150.583-178.694
- 118.948 -8.191 154.866 -21.386
- 115.682 -8.263 155.282-117.108
- 115.186 173.265 154.583 -40.803
- 139.788 163.883 141.682 149.990
- 126.037 125.244 126.808-158.704
- 122.993 -60.324 150.759 -19.971
- 120.414-123.320 0.000 0.000
- 133.767-111.261 141.466 105.838
- 108.453 19.139 131.894 -97.080
- 91.500 70.992 122.553-134.889
- 91.715 66.179 108.466 -80.115
- 92.044 87.654 147.056-141.243
- 94.437 69.921 136.038-129.625
- 129.376 172.268 113.774 -86.205
- 125.472 80.899 117.420 -84.847
- 121.241 151.303 120.570-127.425
- 94.396 44.982 114.921 -76.776
- 91.835 51.940 119.853 -39.234
- 89.773 49.953 117.130 -73.048
- 89.832 54.668 128.566 -75.874
- 87.366 61.883 132.439-130.187
- 90.466 74.949 135.049-117.804
- 92.705 101.108 142.770-132.316
- 128.114-112.316 142.113 -76.288
- 132.463-171.966 141.948 -23.116
- 127.237-175.770 149.072 -85.178
- 134.653 -0.790 169.181-151.796
- 119.568 -1.901 113.883 -67.120
- 118.176 176.346 149.287 -26.186
- 95.735 53.723 137.308-130.827
- 122.051-130.351 110.366 -78.995
- 122.186 0.000 146.304 -83.588
- # 31 total E -3.35215E+01 rmsd from N 0.000 %NC 0.00
- 123.958-112.759 143.805 -15.689
- 126.878-173.805 143.730 -16.895
- 95.802 59.275 108.354 -80.441
- 130.128 174.879 153.530 -72.531
- 108.630 -10.620 164.019 170.051
- 111.695-117.367 108.828 -37.851
- 121.379-117.311 150.725 176.204
- 116.932 -3.164 138.558 -92.076
- 106.449 169.532 147.222 -81.301
- 118.673 -97.975 131.435-134.525
- 91.355 79.587 148.917 -33.094
- 127.639 -95.590 99.246 -93.767
- 99.676-118.365 146.187 -26.509
- 133.626 109.498 165.729 165.844
- 104.651 176.113 109.659 -87.224
- 134.995-111.508 140.649-129.867
- 120.214 -95.316 154.525 -88.120
- 130.347-169.665 148.038 -9.164
- 108.674 20.500 100.079 -97.889
- 116.185-139.517 139.307 -27.544
- 103.225 -3.059 0.000 0.000
- 123.180-172.925 174.672 165.434
- 92.052 57.159 136.900-101.683
- 91.882 63.741 106.747 -97.221
- 92.867 82.541 117.341 -76.904
- 93.570 65.999 143.036-143.595
- 122.758 167.940 131.346-124.937
- 126.019 179.426 162.871-163.588
- 121.129 83.362 159.812-150.013
- 125.131 13.687 121.789-127.088
- 118.539-174.559 146.007-105.564
- 132.692-105.662 130.260-168.198
- 126.426-105.184 141.638 -27.849
- 125.600-120.665 131.196 -66.612
- 92.724 47.381 105.683 -80.687
- 93.702 97.717 149.067 -45.643
- 119.744 129.842 154.007 -27.513
- 93.054 0.290 129.394 -76.467
- 118.496-179.016 147.996-146.330
- 136.253 158.638 158.592 -84.361
- 94.441 -8.821 133.181 -78.562
- 104.843-114.364 105.998 -68.488
- 123.781-109.076 157.738 -13.969
- 121.363-103.713 147.975-151.795
- 114.201-173.066 153.919-146.739
- 123.490 0.000 148.756 -88.048
- # 32 total E -3.29745E+01 rmsd from N 0.000 %NC 0.00
- 91.946 18.960 114.912 -45.957
- 145.995-121.891 116.517 -44.064
- 114.612 -84.392 105.883 -76.522
- 124.714-172.077 145.204 -80.236
- 107.696 172.479 123.026-122.736
- 120.588 0.514 141.974 172.173
- 99.220-170.743 113.203 -76.803
- 122.972 119.327 165.281 -90.385
- 92.721 47.838 135.731 -78.302
- 106.711-169.221 140.711-128.828
- 94.170 83.962 159.483-113.070
- 94.273 78.933 126.794-147.594
- 96.856 7.474 143.356 -36.380
- 111.614-109.405 142.574 -98.477
- 95.896 160.292 138.709-151.162
- 93.524 64.219 121.280-119.580
- 93.344 85.906 152.311 148.816
- 93.253 86.737 135.760-105.050
- 126.434-111.122 142.314 -93.047
- 94.975 -6.334 148.785 -29.578
- 122.834-112.812 0.000 0.000
- 128.812-103.511 167.579 12.602
- 136.165-178.873 160.349 -57.399
- 92.365 62.689 130.055-144.975
- 112.848-175.896 115.580 -78.049
- 126.850-139.308 158.317 -19.228
- 122.359 -0.535 133.970-142.877
- 131.178-123.663 106.434 -78.679
- 123.067-163.326 152.105 -12.981
- 124.563 127.640 119.458-124.921
- 130.785 178.432 122.570 -81.944
- 134.579 178.289 139.309-173.280
- 129.832 104.002 122.552 -79.560
- 130.813 162.634 149.110 -74.650
- 97.341 53.240 140.435-137.911
- 95.346 170.570 153.335-144.083
- 120.891-151.331 159.403 -13.241
- 93.509 5.717 130.460 -76.576
- 125.965 177.481 147.891-140.199
- 93.131 2.875 128.997 -76.133
- 113.879-176.477 147.435 -95.402
- 118.256 2.202 131.819 -68.156
- 116.322-177.377 153.931-126.681
- 129.366-178.689 150.853 -9.732
- 95.777 71.505 106.211 -80.178
- 91.900 0.000 129.053 -75.986
- # 33 total E -3.24478E+01 rmsd from N 0.000 %NC 0.00
- 122.687-127.093 151.381-104.382
- 126.334 68.992 132.820 -51.620
- 132.453 156.379 143.348 -21.579
- 92.422 -5.587 129.849 -76.801
- 112.011-176.054 155.417 173.754
- 128.614 0.990 160.856 7.545
- 98.718-169.766 129.531 -47.853
- 131.960-177.173 160.645-122.471
- 93.539 76.443 149.063 -41.817
- 92.448 85.930 102.650 -75.251
- 92.908 79.776 134.036 -99.273
- 130.890-167.309 111.593-106.925
- 116.201-168.531 109.175 -82.662
- 118.189 107.399 144.220-126.815
- 97.694 76.319 139.586-159.794
- 125.278 173.019 137.604-124.127
- 135.049-172.156 156.959 -82.339
- 123.818 -3.527 149.387 -55.977
- 129.181 -1.667 144.428-159.367
- 97.704 177.803 145.129-137.225
- 154.914 178.479 0.000 0.000
- 123.570 170.018 172.615 172.350
- 120.932 -3.028 164.257-103.512
- 101.427-165.649 135.123-165.453
- 134.700-173.619 158.367-125.923
- 108.826 19.642 150.488-128.829
- 99.399-176.884 131.542-132.506
- 132.750-165.518 155.139 -16.775
- 112.879 81.266 148.700 -24.029
- 125.788-173.128 117.216-120.415
- 130.877-175.413 152.444 -6.234
- 93.551 9.821 134.520-103.068
- 113.005-173.964 114.642 -75.586
- 92.397 65.462 129.093 -75.890
- 91.916 61.417 105.182 -81.254
- 91.355 87.722 162.576-153.033
- 92.585 61.045 143.342-141.222
- 93.516 165.685 129.347 -75.604
- 133.655-162.401 148.580-148.769
- 105.978 2.051 145.282 -84.234
- 112.706-179.292 135.335-104.897
- 136.216-178.148 146.585 -56.126
- 113.052 67.231 153.305 -23.057
- 114.093 137.388 151.701-175.123
- 95.890 84.008 138.725-128.704
- 113.894 0.000 145.662 -80.203
- # 34 total E -3.16787E+01 rmsd from N 0.000 %NC 0.00
- 91.992 12.719 126.041 -68.814
- 138.544-164.677 127.425 30.070
- 95.178 14.832 146.708 -31.252
- 121.304-175.227 152.614 -79.087
- 132.068-178.884 168.536 171.513
- 128.174 176.271 157.349 173.073
- 93.885 3.971 105.685-107.662
- 124.685-175.252 156.981 -15.584
- 108.561-121.586 145.535 -92.492
- 139.747-113.062 160.198 19.505
- 93.863 77.986 135.005 -99.306
- 118.965 167.995 121.320-126.127
- 105.853 -3.374 108.614 -83.584
- 104.586 152.408 150.357-122.878
- 136.429-104.444 157.367-175.797
- 113.440-175.445 155.109-125.970
- 136.367 173.658 161.628 161.354
- 111.711 68.316 152.215 -79.561
- 123.679-118.499 125.755 -47.787
- 96.606 14.732 147.523 -29.753
- 139.254-173.639 0.000 0.000
- 128.197-101.363 119.289 -87.169
- 120.802 -90.350 163.786-169.374
- 117.515 175.915 141.193 90.815
- 142.319 175.963 121.857 -82.740
- 120.585 -6.200 157.990 137.302
- 119.537 -7.553 127.848 130.234
- 116.042-176.281 117.929 -78.619
- 119.572 163.035 158.104-149.005
- 120.866 68.795 122.668-132.273
- 133.437 166.237 123.496 -81.922
- 129.855 167.686 134.455 -23.067
- 97.232 -10.406 112.232 -74.645
- 103.338-136.480 129.166 -75.360
- 91.632 50.575 142.952 -33.065
- 92.208 105.087 150.415-173.565
- 93.193 80.838 138.679 -50.081
- 92.229 103.371 128.171 -73.756
- 120.536 99.925 127.459-123.453
- 129.681 175.734 147.941 -84.196
- 131.719-166.960 148.834-115.482
- 129.780-103.401 128.979 -61.698
- 122.740-178.890 153.779 -17.624
- 115.164 113.691 153.793 -24.230
- 127.086-134.447 109.444 -81.670
- 121.779 0.000 147.489 -81.596
- # 35 total E -3.13693E+01 rmsd from N 0.000 %NC 0.00
- 122.213 -98.699 147.817 -8.606
- 126.843-171.385 137.577 -44.243
- 94.591 78.890 148.112 173.795
- 92.426 70.993 131.477 -77.949
- 123.349 132.540 146.303 -8.513
- 95.245 91.810 127.248 168.676
- 92.195 -0.322 108.906 -74.653
- 99.358-108.868 164.274 -62.615
- 132.394 175.174 156.734 -4.600
- 94.747 53.538 80.589 -81.581
- 120.158-177.445 164.819 -17.475
- 95.128 58.813 103.733-103.534
- 112.277 170.387 110.949 -84.397
- 131.145-176.497 149.074-144.674
- 122.546-176.022 150.776-158.037
- 128.965-104.739 150.244-154.709
- 129.866-167.301 154.225 -79.490
- 130.457-177.212 141.792 -14.630
- 123.864 175.348 137.225-167.616
- 137.918-175.740 116.350 -86.152
- 109.242 2.838 0.000 0.000
- 113.574 162.269 176.406 169.416
- 121.218 -94.486 164.472-114.922
- 92.896 6.776 131.076-133.549
- 116.016 171.932 141.640 -49.336
- 110.981 2.862 148.897-107.501
- 116.451-173.435 124.397-121.761
- 126.375-106.021 162.089-163.101
- 127.970-165.152 112.256 -77.542
- 124.133-169.460 122.992-129.425
- 129.367-171.162 150.542 -98.166
- 130.366-174.299 146.142 -31.495
- 94.185 60.284 115.086 -75.200
- 92.264 99.423 129.538 -75.987
- 94.028 46.383 144.816 -28.798
- 107.018 174.878 152.259 -24.061
- 122.141-169.882 160.998-165.825
- 122.014 0.452 152.290 -82.239
- 115.318 -1.697 148.468-148.493
- 122.047 178.526 147.704 -83.642
- 128.572-178.807 115.911-123.555
- 125.977 -2.478 142.851 -62.372
- 128.869 179.593 164.595-132.132
- 106.660 -1.514 146.642-150.887
- 115.362 173.296 147.941 -20.131
- 123.510 0.000 150.269 -88.832
- # 36 total E -3.11486E+01 rmsd from N 0.000 %NC 0.00
- 116.127 -40.001 153.444 -55.132
- 137.254 142.291 109.877 -67.508
- 129.483 103.130 160.182-178.357
- 92.785 -7.634 130.222 -77.001
- 99.796-106.814 140.873-133.625
- 135.217-174.991 157.985 14.255
- 109.082 -77.200 139.278 16.794
- 113.604-123.007 135.713 -64.572
- 113.764 65.670 163.427-177.712
- 114.778 -98.444 97.185 -78.224
- 121.913-174.021 166.038-142.759
- 95.890 111.162 132.824-155.246
- 130.376-142.513 115.271 -85.650
- 93.985 52.960 121.778-153.190
- 125.895 164.966 110.238 -82.795
- 130.243-177.510 153.264-100.534
- 122.143-100.014 145.953-116.877
- 117.511 -4.994 147.877 -38.642
- 96.266 57.752 133.541-156.135
- 127.021-135.088 106.115 -82.094
- 105.211 -19.415 0.000 0.000
- 97.095 116.470 176.335-176.745
- 123.697 65.038 161.315 -99.121
- 93.779 147.606 139.152-145.891
- 131.123-179.405 149.452-137.678
- 93.471 2.406 148.136-113.843
- 112.343-171.693 128.302-132.771
- 128.206-174.037 155.815 -14.395
- 123.004 -93.226 156.614 -21.586
- 120.285-162.718 121.624-128.385
- 135.804 -91.211 124.737 -84.098
- 141.251-151.652 138.638-121.978
- 129.982-122.685 140.077 23.002
- 135.436 -98.368 142.690 -92.119
- 101.281 -95.436 141.959-144.484
- 123.505 173.056 160.915-167.638
- 121.485 56.945 160.444 -13.472
- 93.740 168.711 128.829 -75.208
- 122.688 77.964 144.946-170.168
- 112.276-178.912 146.662 -84.943
- 136.825-168.216 127.003-107.483
- 119.640-116.397 111.061 -59.960
- 131.276-119.625 176.441-163.431
- 95.328 -4.343 149.952 -34.051
- 114.242 130.327 106.524 -78.375
- 92.127 0.000 129.694 -77.160
- # 37 total E -3.09480E+01 rmsd from N 0.000 %NC 0.00
- 92.045 60.167 138.361-104.656
- 126.182 179.724 151.305-109.380
- 110.522 0.553 109.668 -80.687
- 111.463-174.246 152.086 -96.682
- 137.524-175.672 151.532 2.077
- 116.359 178.307 142.810 160.318
- 144.343 152.642 130.981 -95.227
- 98.343 -1.239 165.736 -54.315
- 113.176 178.125 161.061-119.968
- 125.053 3.063 152.299 156.181
- 94.245 83.328 148.397 -33.252
- 130.982-162.110 111.529-105.873
- 108.548-172.210 147.818 -22.474
- 131.739-172.705 147.626-147.408
- 94.851 59.130 139.159-145.921
- 114.730 116.665 152.637-117.545
- 130.635-176.240 153.704 -99.107
- 128.104-105.688 148.656 -69.580
- 126.938-114.931 126.795 -36.194
- 96.825 137.471 146.284 -20.978
- 125.154 38.581 0.000 0.000
- 129.757-110.172 165.840 9.570
- 123.722-104.861 126.633 -74.456
- 115.410-102.380 141.322 153.757
- 93.800 58.384 115.320 -75.913
- 92.864 85.958 145.442-120.871
- 95.481 64.883 136.887-146.412
- 123.471 171.294 158.186 -16.611
- 128.107-106.882 166.770-164.838
- 123.907-168.212 122.485-129.242
- 125.693 178.710 146.107 -82.255
- 93.621 -0.552 136.045-107.353
- 114.995 173.330 118.947 -77.156
- 135.612-161.218 150.345 -66.096
- 92.734 48.254 145.358 -27.212
- 91.064 54.649 153.133-162.614
- 89.525 49.499 144.655 -32.222
- 89.322 45.728 127.966 -75.184
- 88.106 48.857 111.824 -44.447
- 89.288 48.945 127.019 -75.569
- 88.879 49.628 130.508 -92.805
- 89.027 57.599 109.279 -70.192
- 89.999 66.728 142.939-124.564
- 91.813 73.132 135.231-147.151
- 94.655 63.389 141.079-122.543
- 91.925 0.000 129.226 -76.239
- # 38 total E -3.04640E+01 rmsd from N 0.000 %NC 0.00
- 92.044 63.715 138.040-104.357
- 123.628 114.407 149.289 -61.009
- 132.392 175.661 112.315 -80.294
- 128.483-166.998 152.610 -92.945
- 128.724-100.079 163.310 7.373
- 143.874-145.145 148.593 6.187
- 93.926 16.115 99.017 -76.892
- 110.834 176.043 138.121 -75.259
- 105.063 5.806 148.012-105.871
- 117.278-177.500 148.465-150.425
- 117.776-171.015 155.373 -24.193
- 117.727-169.426 129.206-138.225
- 125.712-105.524 153.565-164.355
- 125.336-179.268 155.794-129.980
- 130.698 172.600 112.508 -88.592
- 130.379-178.072 154.658-100.324
- 99.907 -4.924 126.858 -92.497
- 117.539-175.280 136.156 28.284
- 126.757 -99.616 109.913 149.126
- 95.360 10.591 144.316-136.815
- 118.126-177.793 0.000 0.000
- 133.028-176.660 167.222 162.125
- 132.715-103.470 160.428 -56.950
- 120.466 -89.224 103.359 -88.287
- 108.125-118.240 119.098 -78.069
- 138.177 161.609 153.494 164.763
- 94.223 2.854 130.970-136.807
- 111.449-104.697 110.697 -83.592
- 130.028-158.910 153.959 -10.081
- 95.671 79.264 95.110-102.617
- 124.473 174.604 123.585 -82.421
- 133.351-172.751 131.513-167.931
- 136.039 176.982 141.415 -50.571
- 93.141 2.348 129.826 -76.359
- 118.416-168.329 148.554 -18.531
- 123.511-112.337 159.137 -18.541
- 115.849-116.299 152.324-103.023
- 92.050 52.396 150.626 -83.030
- 93.545 88.209 104.286 -90.234
- 130.659 104.496 145.340 -96.939
- 139.970 175.370 155.326-134.387
- 120.185 95.877 127.912 -76.353
- 115.622 96.170 160.749-148.953
- 132.057 174.617 111.656 -87.474
- 126.377 -66.756 150.732 -17.188
- 92.128 0.000 129.362 -76.281
- # 39 total E -3.04534E+01 rmsd from N 0.000 %NC 0.00
- 92.104 116.705 138.268-102.902
- 117.844 2.511 149.809 -69.304
- 122.019-170.903 109.152 -78.426
- 129.779-113.193 141.265 -85.130
- 121.052-106.770 134.338-127.415
- 109.461 -4.615 158.965 167.393
- 93.692 70.928 93.825 -90.584
- 129.439 148.792 168.941-114.762
- 93.180 73.718 161.131-130.419
- 94.599 77.073 91.665 -69.954
- 112.172-121.585 160.001 -29.256
- 111.232-113.911 95.207 -75.112
- 93.701 60.352 142.839-140.703
- 92.566 62.705 148.311-114.341
- 95.505 121.303 149.195 -38.202
- 123.380 94.081 138.388 176.172
- 99.964 175.710 138.710 -85.456
- 127.168-102.517 160.544-134.797
- 119.731 -96.720 113.551 -58.954
- 94.852 17.697 109.698 -81.878
- 118.280-178.864 0.000 0.000
- 123.460-171.073 122.775 -88.958
- 125.189-115.350 133.701 -98.095
- 133.136 -95.053 155.082-130.631
- 114.694 -98.208 116.130 -78.401
- 129.402 -99.610 161.386-164.590
- 139.206 -98.140 145.032-142.951
- 125.870-169.253 166.144-154.672
- 95.076 87.056 144.424-121.788
- 129.699 77.800 106.906-102.657
- 132.588-176.184 129.408 -81.697
- 92.930 2.158 135.895-106.275
- 113.385-176.955 118.409 -77.015
- 129.203-168.569 147.126 -70.944
- 95.564 3.427 147.209 -27.825
- 116.997 177.187 158.734-145.022
- 118.056-118.400 156.518 -13.894
- 107.376 -3.946 151.142 -81.693
- 101.987 174.777 135.369 -92.144
- 122.203 -3.233 146.203 -92.172
- 112.889 -9.928 105.612-113.822
- 125.861-125.030 156.886 -72.085
- 125.547-117.034 155.707-121.030
- 131.028-107.294 108.907 -76.696
- 107.861 127.919 140.807 -28.213
- 121.501 0.000 146.138 -97.175
- # 40 total E -3.03637E+01 rmsd from N 0.000 %NC 0.00
- 92.220 114.014 158.539-140.559
- 93.500 59.190 134.099 -97.038
- 119.389 155.630 108.244 -79.211
- 136.404-179.878 144.152 -81.517
- 111.818 -16.063 133.496-133.700
- 115.430 -11.855 150.104 176.846
- 115.879-173.847 150.080 -97.281
- 135.269 143.927 150.770 -25.569
- 91.890 -2.436 153.816 166.634
- 122.005-165.588 108.994 -75.339
- 118.211-119.577 158.409 -27.207
- 93.717 61.529 132.853-157.519
- 89.847 70.127 111.574 -84.312
- 90.556 82.713 132.443 -93.265
- 90.646 75.440 150.801 -37.599
- 93.291 90.754 109.329-114.002
- 124.926 109.396 150.497 -58.174
- 128.057 177.553 136.572 13.953
- 124.670-100.170 117.946 -47.297
- 95.065 18.939 148.766 -29.943
- 118.440-176.526 0.000 0.000
- 133.052 170.920 173.331 161.470
- 121.904 176.169 164.974-111.976
- 103.423 -0.281 146.178-127.300
- 123.365-170.926 121.175 -78.727
- 105.031 0.548 144.031 -82.245
- 115.567-178.816 134.477-131.935
- 129.313 178.134 153.946 -12.021
- 116.667 84.759 150.138 -19.764
- 126.130 81.411 118.743-122.608
- 127.903-178.523 126.173 -79.175
- 93.090 4.127 136.167-108.947
- 111.864-170.456 117.880 -76.788
- 132.968-106.839 141.450 -78.197
- 109.185-174.060 145.515-142.265
- 128.780-178.630 151.867-169.836
- 93.723 8.104 147.211-106.004
- 121.630-171.584 146.874 -88.604
- 133.681-166.237 129.389-131.407
- 103.604 -92.923 130.586 -76.988
- 126.633-118.983 141.863-102.054
- 119.502 -4.270 136.857 -66.214
- 117.661 178.544 154.065-126.564
- 128.523 178.978 151.200 -10.955
- 95.846 98.233 144.088-127.782
- 115.198 0.000 143.553 -83.447
- # 41 total E -3.03310E+01 rmsd from N 0.000 %NC 0.00
- 122.942-114.912 149.623 -54.841
- 126.810-117.490 137.849 -32.354
- 92.950 61.593 110.646 -80.561
- 91.459 73.642 129.784 -76.075
- 91.768 100.696 135.140-124.657
- 94.446 54.124 126.549-124.067
- 93.600 166.568 86.254 -93.617
- 129.494 65.585 162.482-130.883
- 90.941 63.169 137.600 -55.823
- 92.960 71.253 121.733-126.831
- 93.112 75.621 139.006-126.606
- 93.078 76.786 99.651-102.846
- 91.305 65.970 114.090-125.272
- 92.133 93.411 118.469-113.985
- 95.330 65.041 134.661-148.708
- 122.157 172.673 156.033-115.088
- 126.288-108.252 155.139 -93.111
- 132.134-118.026 151.858 101.746
- 111.743 -2.936 119.279 -24.120
- 106.580-129.684 139.802 -23.295
- 95.267 44.992 0.000 0.000
- 97.120 58.725 174.195 8.778
- 123.121 -6.302 139.497 -82.794
- 123.111 177.747 129.137 6.226
- 119.618 100.771 122.825 -84.336
- 132.957-175.903 163.983-169.702
- 124.583 3.404 127.536-128.965
- 113.342 1.845 153.886-144.899
- 115.049-110.931 152.287 -20.601
- 120.348-102.938 122.027-130.279
- 127.409-117.102 146.661-108.072
- 92.666 -0.840 135.852-103.891
- 113.962 176.093 139.900 -45.911
- 130.413-177.160 150.117 -78.754
- 133.432-162.546 152.636 -10.522
- 111.992 -87.790 160.270 -18.456
- 126.180-175.455 133.896 -74.729
- 93.065 -4.774 129.868 -76.778
- 124.351 125.842 131.273 138.799
- 91.938 -65.759 130.687 -76.457
- 93.915 -89.500 137.863 -90.283
- 133.666 -95.688 176.438-153.104
- 118.268-106.347 146.612-105.522
- 130.342-115.641 152.696-168.836
- 122.635 -60.437 159.906-156.444
- 92.093 0.000 129.425 -76.133
- # 42 total E -3.02838E+01 rmsd from N 0.000 %NC 0.00
- 91.997 65.623 133.671 -84.312
- 133.948-179.463 131.793 -27.133
- 115.252 -8.496 138.188 -27.878
- 118.524 5.731 150.558 -82.215
- 116.737 167.249 143.949-122.971
- 105.556 -11.289 164.818 2.491
- 99.267-126.350 120.008 -82.694
- 125.875-118.749 159.874 -69.149
- 113.197 -85.068 163.233-138.947
- 109.792-114.246 154.954 -6.804
- 94.808 73.912 156.823 -24.107
- 93.280 94.665 101.724 -99.798
- 96.453 103.909 118.060-130.634
- 130.787 161.836 147.414-133.347
- 115.483 146.635 146.242-159.646
- 130.663 -96.766 152.293-130.506
- 93.218 56.972 138.051 -86.554
- 101.865 171.288 112.123 -41.760
- 127.152 46.165 129.153-177.349
- 93.650 56.802 143.612-136.721
- 96.005 62.172 0.000 0.000
- 94.389 61.280 111.545 -79.579
- 96.466 103.926 167.460 178.804
- 92.246 -79.008 100.302 -52.323
- 110.436-133.256 142.904 -72.433
- 130.838-158.188 143.113-174.672
- 135.623-171.738 144.377 114.231
- 116.812-108.033 148.180-122.770
- 95.098 54.038 114.698 -86.207
- 120.727 176.409 119.184-122.975
- 142.154 177.878 158.186 -98.691
- 93.041 0.030 99.803-126.958
- 118.216 177.500 112.900 -76.885
- 136.149-117.186 150.341 -79.212
- 115.640-101.733 143.358-120.232
- 120.704-175.161 157.089 -19.329
- 127.608-114.481 162.179-124.715
- 129.674-177.232 153.280 -76.301
- 127.947 108.037 135.357 151.013
- 92.886 -2.229 129.526 -76.290
- 97.654 -94.868 136.507 -96.080
- 140.216-162.656 156.591 -20.837
- 116.873 65.983 130.531 -75.239
- 126.513 171.684 161.228 -3.098
- 128.443-150.615 110.140 -78.370
- 121.855 0.000 147.284 -82.166
- # 43 total E -2.99924E+01 rmsd from N 0.000 %NC 0.00
- 92.119 114.982 137.791-102.775
- 132.913-130.339 127.510 144.497
- 126.678-106.506 141.267 -22.979
- 108.482 9.845 152.326 -85.213
- 117.760 -7.631 81.588 -85.408
- 113.469 88.663 149.090 168.997
- 139.998-177.829 159.204 -90.452
- 123.103-110.431 133.334 -60.041
- 93.902 -69.519 153.271-178.024
- 115.754 4.628 141.059-140.445
- 117.232-109.786 149.460 -94.977
- 93.107 60.368 101.020-103.581
- 94.571 122.170 106.129 -84.580
- 122.465 81.345 120.638-107.964
- 108.219 121.150 113.664 -88.449
- 94.937 21.896 108.367-130.596
- 120.384-176.230 153.547 -69.809
- 134.844-176.367 156.958-178.690
- 109.701 -13.496 104.325 -47.802
- 95.403 -65.749 108.925 -77.903
- 109.471 -58.158 0.000 0.000
- 122.692-178.897 172.319 161.974
- 129.954-173.083 134.328 -91.866
- 93.463 1.754 128.066-118.696
- 125.362-177.084 123.223 -81.446
- 104.787 -0.173 146.093 -35.777
- 114.187-176.512 132.463-111.769
- 94.954 -0.078 145.756-136.093
- 110.714-172.993 108.687 -78.569
- 95.081 12.920 102.241-120.772
- 132.327-178.998 125.504 -81.119
- 92.959 2.574 134.858 -96.323
- 112.434-175.177 139.295 -48.416
- 135.678-164.067 150.163 -81.066
- 121.421 -97.168 108.124 -80.872
- 122.389-110.015 151.869-136.078
- 121.110 170.002 164.959 -12.397
- 93.592 53.669 130.651 -77.037
- 102.779-179.474 106.547 -57.326
- 130.301-169.363 145.470 -83.820
- 117.670 -79.102 104.357-119.821
- 99.837-166.267 122.717 -68.578
- 123.270 173.994 148.661-150.086
- 132.829 178.017 154.565 -12.030
- 122.171 -92.179 163.294-153.196
- 120.659 0.000 146.240 -80.108
- # 44 total E -2.99160E+01 rmsd from N 0.000 %NC 0.00
- 122.793-127.061 151.365-105.177
- 132.264-167.808 129.874 -1.541
- 114.104 -94.731 156.981-146.474
- 125.516 -93.831 145.112 -85.928
- 95.117 119.337 122.837 -45.604
- 146.219 172.812 89.491-100.341
- 91.179 3.393 113.050 -57.917
- 113.920-177.049 162.843 -36.944
- 92.967 38.732 157.759-143.412
- 120.265-176.049 155.291 146.273
- 120.752 179.355 136.038-100.305
- 132.803 -1.961 111.953-105.337
- 97.320 165.478 108.108 -85.124
- 127.293-177.257 153.247 161.329
- 109.054 3.268 144.974-152.376
- 103.595 177.960 145.627 -94.015
- 137.460 107.629 145.928 -39.608
- 125.030 167.234 156.309 6.427
- 118.242 -8.854 96.920-129.996
- 96.654 -45.957 144.786-137.271
- 129.937-168.847 0.000 0.000
- 131.754 169.185 176.397 157.902
- 115.101 165.837 140.599 -93.168
- 103.957 -6.669 141.519-165.631
- 121.343-168.094 120.775 -77.927
- 111.972 -2.259 159.426-124.864
- 114.669 171.469 132.888 143.624
- 132.167 103.478 117.781 -85.433
- 128.205 79.243 117.767 -84.247
- 122.409 3.672 120.718-126.246
- 123.025 179.252 120.990 -80.400
- 138.736 176.604 132.964 -0.362
- 113.876-114.809 116.111 -76.166
- 109.070 58.552 147.489 -84.977
- 119.424 -99.727 144.556 -28.072
- 106.999-178.944 144.323 -30.722
- 94.204 -9.500 139.047-140.573
- 132.294 -6.938 151.935 -79.028
- 128.337 119.264 139.847 12.488
- 93.216 108.586 130.410 -76.799
- 111.528 -0.464 124.914-112.684
- 116.505-139.842 117.904 56.097
- 125.602 174.993 162.620 -18.561
- 110.983 98.371 113.022 -88.591
- 117.428-114.467 109.181 -87.599
- 121.503 0.000 145.325 -82.377
- # 45 total E -2.98933E+01 rmsd from N 0.000 %NC 0.00
- 92.039 -8.287 114.531 -45.780
- 134.195-125.928 141.831 -41.808
- 93.379 57.440 143.488-141.586
- 91.423 81.413 130.394 -75.539
- 93.153 66.622 98.690 -83.917
- 105.330 14.692 154.914-153.523
- 104.406 -5.396 120.119 -62.611
- 136.592 74.579 166.521 -96.809
- 93.063 60.200 129.082 -76.438
- 116.462 4.118 105.672-102.701
- 106.267 159.466 145.122 -79.429
- 112.554-175.914 132.715-148.469
- 105.580 -6.956 108.279 -84.197
- 107.906 156.275 148.259 -24.071
- 126.250 171.798 152.241-173.480
- 93.563 59.615 121.390-136.295
- 94.440 99.861 117.701 -75.180
- 93.110 26.109 151.555 -19.393
- 113.329-176.458 108.025 124.808
- 119.710 -54.520 109.698 -85.098
- 108.721 -69.625 0.000 0.000
- 115.225 171.795 124.683 -88.473
- 122.917-108.079 134.580 -88.647
- 91.428 55.757 131.496-146.282
- 92.044 64.012 110.290 -75.109
- 90.902 71.988 149.771 -82.487
- 91.409 69.922 126.217-143.414
- 93.772 121.250 107.170 -87.146
- 120.629-171.426 149.888 -30.447
- 107.337 174.440 93.987-102.378
- 118.208 -6.607 147.813-171.617
- 127.156 174.693 131.369 -11.983
- 119.782 176.403 120.025 -78.001
- 138.276-166.557 131.901 -48.898
- 93.997 4.690 141.997-135.942
- 128.653-176.882 161.824-135.058
- 120.147-106.589 161.769-124.817
- 127.816-103.706 152.638 -77.850
- 128.255-107.451 144.337 -32.477
- 131.258-161.833 148.153 -82.974
- 130.715-105.893 133.654-113.066
- 131.105-170.473 130.980 -64.590
- 125.367 179.692 156.709 -14.342
- 124.520 176.830 152.134-164.694
- 126.891-176.616 111.321 -79.692
- 92.262 0.000 129.559 -76.129
- # 46 total E -2.97899E+01 rmsd from N 0.000 %NC 0.00
- 92.044 125.562 131.748 -56.903
- 94.318 134.901 155.863-155.859
- 103.708 2.963 145.921 -30.781
- 119.877-153.868 143.915 -76.224
- 114.739 -1.202 155.138-170.650
- 115.050 95.983 98.699 -77.100
- 119.746 -7.245 145.813-135.794
- 115.447 -12.913 163.925 -68.744
- 107.195-113.383 153.984-122.023
- 133.657-112.147 142.186 -14.690
- 114.616 -88.846 150.294-109.540
- 95.070 77.619 127.184-147.591
- 138.089-101.555 109.021 -95.378
- 115.917 174.013 155.145 -21.261
- 136.756 74.531 111.857 -92.401
- 128.705-105.906 156.911-175.124
- 116.972-158.199 154.667 -78.561
- 137.265-106.738 147.698 49.010
- 117.185-101.487 144.179-156.136
- 96.854 28.775 109.870 -82.322
- 98.506 99.860 0.000 0.000
- 131.699 158.960 171.238 153.497
- 118.447 106.068 167.601-115.694
- 91.239 67.312 124.803-105.426
- 91.206 74.785 108.146 -76.013
- 91.333 74.472 149.657 -43.419
- 91.982 68.137 126.019-141.871
- 94.192 117.267 106.438 -84.857
- 131.923-169.530 149.232 -24.803
- 124.286 4.270 106.893-105.670
- 117.202 4.485 116.336 -84.110
- 124.693-177.493 146.207-127.945
- 127.281 125.259 145.774 -8.875
- 92.744 97.104 129.177 -76.428
- 97.105 1.097 143.392 -35.337
- 101.184-139.107 146.098-103.607
- 131.181-174.573 169.305-137.762
- 123.335-174.830 155.372 -83.688
- 129.117-107.355 139.324-171.799
- 130.599-104.181 148.249 -82.789
- 131.544-164.577 151.354-104.430
- 130.289-164.609 129.449 59.189
- 119.725 -97.787 155.579 -20.199
- 116.204-107.340 148.517-152.365
- 123.472 -91.490 159.965-159.102
- 121.397 0.000 146.723 -82.792
- # 47 total E -2.97786E+01 rmsd from N 0.000 %NC 0.00
- 123.135-125.958 148.723 -64.025
- 129.306-115.040 136.791-101.236
- 96.347 -9.243 143.353 -35.626
- 114.260 68.509 147.015 -89.279
- 130.782-170.880 149.703 22.122
- 111.428 -72.346 131.633 153.097
- 115.242-115.520 142.098 -14.360
- 127.795-107.568 132.528 -84.500
- 99.784 -80.318 160.996-156.995
- 117.714-165.514 111.578 -74.307
- 125.296-165.060 150.178-152.691
- 95.130 16.244 102.670-100.466
- 121.014-167.807 147.939 -19.295
- 122.261-106.171 152.587-117.107
- 113.796 67.966 153.240 -22.368
- 121.236 113.490 149.966-139.275
- 118.520 110.630 154.422 -98.877
- 120.119 84.996 128.055 -27.636
- 127.407 154.761 137.556-105.918
- 116.645 -11.044 109.448 -82.919
- 97.205-176.343 0.000 0.000
- 122.241 14.104 176.434 160.671
- 94.379 74.394 161.341-132.945
- 91.225 66.198 121.427 -89.499
- 95.316 106.548 110.802 -83.774
- 138.229-175.662 168.989-169.277
- 95.959 92.277 128.780-143.046
- 126.620-171.950 154.571 -20.854
- 116.156 85.069 113.865 -81.092
- 95.105 103.704 97.106-112.325
- 131.064-168.378 124.063 -79.196
- 93.059 2.773 135.743-103.548
- 112.846-178.911 116.596 -77.808
- 130.827 -1.296 145.206 -70.229
- 96.063 159.987 102.491 -94.415
- 146.939 174.280 167.490 179.020
- 119.468-173.708 162.465-130.685
- 128.047-171.743 151.297 -81.126
- 131.122-172.223 139.048-161.238
- 121.733 0.738 147.132 -83.288
- 135.483-177.690 151.507-119.386
- 123.259-175.637 127.835 -62.165
- 94.795 -16.732 141.973 -51.792
- 115.772-113.162 150.059-156.111
- 116.740 -64.507 101.302 -75.686
- 117.126 0.000 142.241 -75.507
- # 48 total E -2.97100E+01 rmsd from N 0.000 %NC 0.00
- 92.095 112.058 137.860-102.753
- 117.995 5.037 150.681 -71.981
- 121.237-176.975 140.679 -24.667
- 122.250 166.354 145.847 -81.656
- 142.136 175.678 122.099 -98.725
- 127.835 78.649 151.854 12.289
- 92.744 82.399 80.256-106.794
- 96.229 0.000 136.533 -85.650
- 109.563-162.491 155.354 -22.228
- 127.712 59.565 143.877-165.045
- 94.072 87.018 147.081 -34.291
- 125.020 77.714 107.396-105.228
- 114.988-103.508 144.276-150.287
- 119.599-102.750 155.202 -19.429
- 120.633-100.284 150.089-159.202
- 129.126-173.233 150.484 -96.652
- 128.666-177.749 155.229-114.459
- 122.023 -5.605 128.998 -65.713
- 106.947-159.608 113.051 -98.204
- 96.015 53.704 142.586-132.399
- 95.694 38.293 0.000 0.000
- 114.331 37.702 166.250 6.715
- 91.896 55.114 146.613-106.785
- 91.521 56.796 105.896 -92.422
- 93.200 45.218 115.191 -81.865
- 110.525 179.186 134.513-121.598
- 136.923-171.790 148.460 173.292
- 121.590 -77.517 156.657 -21.299
- 109.645 -83.333 114.825 -77.104
- 128.152 30.649 118.184-119.394
- 95.774 65.839 135.012-117.957
- 93.273 104.725 137.809-113.375
- 156.813 95.889 137.135 -92.568
- 120.718-166.889 133.375 -40.870
- 95.230 9.906 110.793 -82.258
- 111.546 166.152 152.092-161.525
- 94.096 6.889 150.362 -27.073
- 126.629-172.931 148.241 -77.213
- 136.772 174.461 138.888-127.680
- 93.369 -1.009 129.633 -76.304
- 103.678-159.204 136.598 -95.531
- 136.290-113.413 121.964 -66.706
- 124.271-110.926 153.453 -23.804
- 107.842-177.197 110.045 -80.272
- 96.838 10.711 140.115-136.680
- 116.179 0.000 146.422 -90.779
- # 49 total E -2.93895E+01 rmsd from N 0.000 %NC 0.00
- 115.932 -18.308 140.080 10.303
- 147.461-179.804 112.679 -49.464
- 97.357 -2.696 148.089 -21.269
- 115.284 172.168 151.761 -81.628
- 142.152 169.598 168.219 120.080
- 94.999 72.547 133.154 170.232
- 93.702 90.843 111.400 -64.575
- 123.020-148.846 158.642 -92.887
- 116.604-137.603 141.846 -80.298
- 124.491 -10.236 144.616-161.123
- 93.188 69.625 149.344-104.706
- 126.263-171.822 113.419-113.127
- 95.081 65.033 147.220 -24.058
- 107.221 67.763 151.493-141.944
- 130.688 172.606 117.903 -80.711
- 126.893-174.816 145.536 89.080
- 122.418-109.038 154.752 -77.511
- 93.373 -7.035 136.749 -91.514
- 119.158 171.384 142.706-148.375
- 136.188 -64.441 117.197 -86.942
- 99.804 174.359 0.000 0.000
- 134.204-116.747 151.558 102.856
- 135.550-130.142 158.505 -69.307
- 91.232 36.811 133.557 179.443
- 108.415 177.069 112.330 -76.708
- 116.230 59.691 148.972-131.576
- 127.851 174.128 140.665-113.782
- 128.831-174.934 115.357 -82.957
- 126.748 -96.337 113.097 -79.492
- 118.951 -96.201 121.234-129.529
- 95.624 108.039 115.921 -77.378
- 132.413 175.394 134.706-130.788
- 133.224-178.165 123.303 -79.795
- 131.282-177.971 143.896 -75.110
- 110.388 -0.104 110.093 -82.344
- 117.494-175.924 159.247-133.949
- 113.037 10.646 158.235-131.812
- 93.846 173.592 129.141 -75.192
- 94.410 19.204 104.329-128.815
- 116.251 171.465 147.471 -83.414
- 122.540 62.597 147.446 -91.636
- 125.004 172.727 121.449 -64.148
- 125.167-179.337 154.273 -14.817
- 118.849 175.641 148.885-158.875
- 96.305 58.395 142.226-141.775
- 91.907 0.000 129.336 -76.090
- # 50 total E -2.87452E+01 rmsd from N 0.000 %NC 0.00
- 92.068 55.869 138.406-105.336
- 94.878 175.399 137.331-111.936
- 112.524 0.540 149.617-151.002
- 120.564-173.941 148.114 -74.594
- 105.797 2.412 145.974-141.697
- 113.852-178.163 153.137-174.720
- 132.519-168.891 151.282 -87.989
- 124.834-101.275 162.230 -50.766
- 123.425-166.505 156.655-114.194
- 114.591 134.096 156.471 0.228
- 93.735 54.524 123.595-132.285
- 107.512-105.612 91.999 -87.194
- 115.754-175.208 146.316 -12.162
- 115.532 178.847 155.489-141.195
- 118.359 0.414 111.322 -88.395
- 118.461-176.766 157.831-150.351
- 108.968 6.423 156.991-171.995
- 102.579 178.576 142.549-112.649
- 121.319 50.983 131.201-118.919
- 120.162-177.063 153.463-154.385
- 131.713 -7.714 0.000 0.000
- 130.919-115.935 116.812 -91.292
- 125.116 178.396 166.003-177.303
- 93.748 1.742 144.370-123.281
- 114.927-112.847 117.880 -78.031
- 133.953-110.310 157.132-120.315
- 124.768 -95.704 133.251-112.216
- 94.514 6.216 143.622-131.212
- 116.478-167.415 157.820-145.582
- 116.167 7.662 132.328-146.146
- 130.136-176.708 124.638 -80.351
- 93.240 11.888 135.834-106.354
- 112.469 173.639 134.673 -36.333
- 121.539 62.930 143.503 -82.506
- 103.852 168.725 146.547 -20.558
- 121.670 -98.548 140.714-160.173
- 117.397 -99.901 154.456 -21.700
- 129.197-169.066 153.767 -78.700
- 132.324-179.379 141.929-172.785
- 122.122 68.154 146.655 -83.208
- 133.710-179.406 150.262 121.487
- 114.041 1.236 117.237 -75.865
- 112.928-179.359 151.867 -34.620
- 117.481 -6.293 142.208-151.747
- 114.288 123.880 155.607-150.141
- 92.095 0.000 129.603 -77.318
- # 51 total E -2.84652E+01 rmsd from N 0.000 %NC 0.00
- 92.059 59.567 137.566-103.297
- 132.120-168.632 131.936 4.049
- 110.449 -91.415 148.807-148.087
- 125.488-108.677 141.083 -85.278
- 133.144 178.891 156.469 159.119
- 143.842 175.934 147.540 0.148
- 117.899 -20.974 121.609 -60.395
- 126.061 -15.777 132.555 -75.800
- 95.504 108.139 139.573-109.275
- 117.647 43.234 134.241-125.567
- 94.000 91.205 155.482-154.289
- 94.533 83.338 101.315-101.032
- 101.334-121.462 134.251-142.286
- 133.527 -11.556 162.897-155.682
- 108.659 55.209 110.692 -87.204
- 95.192 103.176 145.648 -75.315
- 126.164 97.978 146.277 -95.738
- 92.233 78.883 139.823 66.436
- 95.936 111.258 106.326-107.918
- 120.578 175.421 115.047 -82.461
- 136.725 -3.569 0.000 0.000
- 126.542 148.755 169.200 6.860
- 113.849-153.178 137.192 -96.466
- 132.397 -9.620 160.482 159.311
- 98.222 -13.964 115.538 -76.217
- 125.612 177.298 159.879 -5.189
- 128.262-102.340 133.893 156.012
- 95.367 -93.551 108.670 -83.192
- 117.444 -98.751 156.482 -0.728
- 123.256-173.592 122.854-129.613
- 133.185 178.141 127.907 -80.731
- 93.246 6.387 140.296-128.669
- 109.413 173.792 118.808 -75.746
- 93.115 8.069 130.132 -76.872
- 112.536-168.979 108.944 -81.025
- 123.950-114.390 160.812 -17.986
- 125.374-172.358 162.866 -9.146
- 112.507 1.723 152.211 -86.866
- 116.151-176.218 149.919 -71.715
- 109.632 1.765 143.426 -84.816
- 111.680 177.361 147.139 -97.693
- 123.327 58.839 123.906 -64.929
- 119.208 177.372 157.070 -18.150
- 127.055-113.261 150.626-163.904
- 127.787-153.494 110.428 -77.852
- 121.684 0.000 146.879 -81.737
- # 52 total E -2.78744E+01 rmsd from N 0.000 %NC 0.00
- 92.056 23.614 139.196-103.969
- 93.807 64.636 121.592 -67.465
- 140.965-174.951 117.678 -70.912
- 91.813 2.881 129.859 -76.711
- 108.149 168.739 176.413 177.735
- 116.103 -12.271 163.123 8.106
- 92.044 87.958 96.698-116.320
- 141.338-165.537 125.937-114.758
- 113.785 166.222 143.308 -26.192
- 92.309 62.636 116.680-138.054
- 126.264-158.841 152.967-106.896
- 90.870 76.769 102.907-106.586
- 89.217 65.686 120.202-113.497
- 90.018 78.530 137.410 -90.681
- 88.732 69.024 130.733-123.727
- 91.412 93.544 113.543-109.780
- 94.131 69.043 131.041 -98.115
- 123.006 160.585 146.222 -47.479
- 127.443 179.305 123.969 -47.579
- 115.889 10.851 111.401 -82.569
- 125.029-174.360 0.000 0.000
- 129.285-117.923 166.055 8.264
- 133.612 1.970 161.912 -85.367
- 103.530 18.271 136.280-140.755
- 111.078 167.129 142.588 -59.604
- 111.756 3.619 152.847 -41.052
- 123.938-175.844 144.249-119.177
- 130.099-175.881 115.786 -80.710
- 124.014-167.705 164.266-157.369
- 93.615 82.993 99.190-126.366
- 91.032 58.317 114.553 -76.792
- 90.510 77.730 130.082 -91.862
- 90.226 67.760 122.475-117.342
- 91.224 97.111 129.670 -75.863
- 93.583 52.395 135.361-139.936
- 93.675 165.960 153.625-138.055
- 130.993-174.374 167.550 -5.095
- 127.569-177.938 154.491 -84.049
- 132.607-174.396 147.250 179.397
- 129.536 0.783 145.997 -80.055
- 112.038 18.370 179.982-132.134
- 111.930 179.550 109.958 -59.369
- 128.590-106.849 154.534-145.255
- 127.832-172.381 145.641 -13.066
- 95.348 18.477 144.111-127.812
- 114.152 0.000 147.378 -83.226
- # 53 total E -2.74011E+01 rmsd from N 0.000 %NC 0.00
- 92.039 60.739 137.617-102.819
- 128.382-106.985 141.371 -16.434
- 124.500-111.025 148.585 -17.812
- 138.617-171.572 150.407 -74.562
- 106.512-175.751 145.725-120.574
- 133.982 -1.016 159.661 172.581
- 101.680 176.640 124.912 -52.859
- 129.721-173.849 173.199 169.888
- 93.498 20.120 160.919-117.392
- 121.660-175.454 153.532 1.673
- 121.877 157.896 146.410 -26.995
- 92.999 82.278 127.885-149.004
- 116.415-157.969 149.159 -29.470
- 137.995-151.921 142.191-163.724
- 96.165 -1.393 142.619-141.161
- 119.143 172.751 151.209 143.610
- 131.484 -95.499 149.076 -46.823
- 102.670-176.677 143.525-111.553
- 139.116-174.888 148.528 123.256
- 113.701 165.172 150.473-149.831
- 149.981-177.437 0.000 0.000
- 111.937 -2.792 174.943 170.170
- 109.644 175.380 163.030-151.600
- 142.563 169.450 150.537 -44.297
- 113.261 164.143 141.551 -45.569
- 94.367 -10.151 139.461-105.075
- 118.747-110.860 133.045-112.720
- 118.159-174.405 159.253-146.031
- 131.917-167.589 171.555-172.759
- 96.217 11.308 98.950-115.722
- 139.241 -11.215 159.492 -76.151
- 132.248 -7.668 146.658-141.930
- 130.403-173.490 146.601 -48.441
- 134.620-111.654 146.929 -72.896
- 131.820-112.917 149.965 -11.252
- 126.501-150.215 152.884-130.758
- 136.685-126.309 164.286-154.568
- 132.199 -96.168 148.055 -85.600
- 132.614-173.176 147.906-161.760
- 93.218 3.072 129.571 -76.321
- 114.523-179.132 147.074 -96.287
- 120.390 2.468 136.454 -68.646
- 117.433-177.348 154.484-131.133
- 128.399-179.311 153.485 -14.729
- 124.422 -63.418 150.361 -18.147
- 92.111 0.000 129.417 -76.150
- # 54 total E -2.71756E+01 rmsd from N 0.000 %NC 0.00
- 92.038 60.637 137.649-103.002
- 133.836-117.841 124.796 -33.521
- 111.524 -91.522 140.131-122.177
- 99.979-175.085 130.866 -76.672
- 137.443 169.725 162.144 168.075
- 112.556 160.433 148.711-156.379
- 132.356-121.680 147.054 -68.937
- 91.270 62.338 145.992 -73.876
- 90.841 84.763 131.612 -51.423
- 92.499 69.632 139.205-128.593
- 94.368 159.331 143.978 -35.192
- 94.377 113.672 131.409-156.213
- 121.380-101.629 140.389-140.048
- 94.138 90.259 149.719-133.817
- 113.492 109.119 110.906 -88.897
- 129.738-176.336 143.892-110.395
- 116.966 -2.378 154.717 -97.578
- 121.598 169.875 145.872 -32.206
- 128.675 170.527 161.051-114.793
- 117.951 91.997 138.568 16.184
- 94.480 63.347 0.000 0.000
- 118.294 98.414 172.706 171.894
- 126.949-121.947 138.069 -84.194
- 92.518 61.494 133.318-151.805
- 93.964 100.681 114.325 -74.897
- 93.481 62.158 131.247 -91.888
- 125.986 173.834 142.423-141.137
- 126.223-172.331 154.575 -16.734
- 125.768 -93.413 166.088-162.595
- 107.127-171.575 99.851-125.478
- 137.381 111.513 124.538 -83.250
- 132.525 165.769 136.665 -15.039
- 134.545 177.219 124.141 -79.625
- 93.316 1.367 129.816 -76.313
- 111.011-169.094 142.272 -20.379
- 123.156 170.331 157.213 -14.811
- 103.042 179.124 149.110-142.416
- 142.044-173.023 153.531 -80.193
- 113.006 -91.804 144.233-158.945
- 128.648-175.234 147.041 -82.604
- 132.314-102.278 144.584-111.028
- 120.764-162.023 167.191-116.220
- 120.982 1.709 161.006 -16.431
- 96.735 177.371 144.039-142.562
- 96.137 46.940 137.426-126.748
- 91.920 0.000 129.418 -76.125
- # 55 total E -2.71479E+01 rmsd from N 0.000 %NC 0.00
- 92.568 -86.889 118.096 -58.648
- 113.668 1.928 144.651 -90.753
- 96.836 163.928 141.194 -11.238
- 91.592 64.873 152.684 -96.966
- 91.627 99.756 119.799 -42.957
- 92.244 62.582 80.986 -88.208
- 95.792 142.059 91.086 -94.455
- 95.227 22.174 136.956 -83.970
- 108.441 176.028 143.187 -25.763
- 120.660 173.546 143.232-129.601
- 118.337 70.107 162.043-133.574
- 105.852-166.572 98.692 -65.026
- 109.067-113.603 143.097-160.022
- 133.225-165.577 164.307 166.637
- 117.492 175.924 151.012 -29.771
- 95.204 55.441 124.985-164.824
- 116.770 160.924 149.716 -59.611
- 128.576-114.288 147.402-131.024
- 128.247-113.448 125.862 160.445
- 127.744-172.103 115.549 -78.027
- 110.535 -3.710 0.000 0.000
- 118.114 166.986 167.030 5.285
- 126.984 97.463 162.059-137.666
- 125.025 167.057 143.311-112.991
- 131.209-179.086 150.130 -55.154
- 93.984 0.527 147.808-113.994
- 116.739-177.288 123.607-112.829
- 133.983-118.001 116.646 -82.315
- 121.352 -95.925 113.190 -79.014
- 120.452-171.894 122.918-131.472
- 136.262-111.782 124.573 -82.885
- 123.709-107.565 149.893-133.117
- 133.185 171.203 123.482 -79.669
- 118.176 68.668 144.160 -80.944
- 130.035-175.308 157.813-165.224
- 115.753-177.110 154.039 -20.502
- 93.420 63.521 155.685-158.464
- 92.434 116.530 129.152 -75.408
- 93.001 53.985 100.885-102.876
- 108.151 165.001 146.479 -90.075
- 133.066-104.386 152.587-131.586
- 127.646-101.790 145.140 67.903
- 120.069 168.911 150.710 -31.222
- 116.674 -3.814 153.654 -23.955
- 115.739-169.298 154.645-145.533
- 124.492 0.000 150.747 -90.011
- # 56 total E -2.63906E+01 rmsd from N 0.000 %NC 0.00
- 122.539 -87.915 143.238 13.818
- 130.159-159.867 149.507 119.247
- 96.847 13.007 147.237 -28.154
- 124.464-179.066 151.544 -80.430
- 128.867-177.400 154.310-156.548
- 130.357-110.353 151.846 0.775
- 139.316 161.330 142.940 -90.508
- 98.407 -7.815 139.883 -82.035
- 104.219-123.257 137.712 -40.802
- 93.840 60.982 141.533-132.711
- 93.614 76.005 143.226 -39.484
- 95.090 96.575 92.911 -88.550
- 139.659-107.308 114.671 -92.708
- 93.702 76.730 145.699 -44.450
- 96.379 74.447 140.634-140.314
- 126.412 167.212 152.008-156.544
- 127.683-110.941 155.031-101.032
- 129.444-104.121 149.553 -77.282
- 128.024-177.636 144.310-152.878
- 122.553-176.967 154.538-154.358
- 115.950 -13.606 0.000 0.000
- 107.122 163.071 139.326-104.773
- 93.280 61.534 134.679 -92.576
- 92.995 96.674 121.107-125.912
- 94.772 63.660 118.349 -73.736
- 115.611 171.867 155.869 -22.607
- 132.637-174.738 133.511-141.082
- 126.803 179.219 154.277 -14.891
- 120.067 80.721 117.209 -83.932
- 124.108 174.985 121.139-125.852
- 96.142 -3.412 115.285 -77.162
- 104.698 162.055 140.834-122.669
- 122.221 -1.473 122.841 -80.892
- 124.061-166.302 140.322 -67.535
- 95.225 6.474 137.870 -30.572
- 117.017 169.720 155.202 -24.606
- 113.771 60.312 160.469 -21.507
- 94.057 -6.538 128.203 -75.295
- 117.244-168.760 145.358 -24.523
- 92.486 64.954 130.038 -76.806
- 91.348 67.471 134.461 -76.669
- 91.489 72.744 128.348 -79.131
- 91.924 77.435 147.301 -44.831
- 94.944 92.026 150.481 -30.363
- 121.267 108.539 149.033 -19.630
- 91.971 0.000 129.368 -76.059
- # 57 total E -2.63822E+01 rmsd from N 0.000 %NC 0.00
- 92.059 55.956 137.825-102.513
- 92.600 71.780 121.651 -40.303
- 92.832 77.769 146.489-179.975
- 90.328 74.752 130.177 -76.036
- 92.480 84.358 85.524 -74.032
- 97.732 88.135 176.457 16.056
- 100.995-155.707 116.693-122.392
- 94.779 65.822 164.283 -16.519
- 91.649 82.792 135.882 -47.056
- 92.746 73.803 92.338 -91.467
- 94.920 147.632 125.183-100.135
- 118.404 77.750 134.151-145.745
- 135.142 178.061 110.622 -85.827
- 121.504-161.026 153.718-156.968
- 126.850 -3.660 112.026 -88.556
- 132.243 167.501 155.016-113.636
- 125.215 167.153 139.761 -55.280
- 94.167 -3.592 137.060 -97.980
- 131.669-167.777 157.403 -76.003
- 110.855 -53.838 152.844-128.442
- 115.322-111.116 0.000 0.000
- 121.510 105.243 169.230 157.888
- 96.121 105.009 132.358 -87.222
- 144.839-178.859 126.231-113.192
- 94.735 4.449 116.439 -76.178
- 110.068 169.842 152.620-124.453
- 142.804-176.449 129.011 119.610
- 117.826 158.944 151.787 -14.002
- 95.544 84.789 143.620-117.616
- 120.688 91.719 126.171-137.267
- 113.589-107.460 118.521 -78.791
- 136.710 179.572 140.425-129.699
- 126.725 177.784 121.262 -78.788
- 133.332-123.934 138.359 -73.648
- 106.776 178.852 138.152 -13.679
- 123.759 173.478 153.767-144.838
- 122.103 178.300 157.949-134.276
- 130.843-111.330 155.394 -92.053
- 133.519-175.761 147.873-152.310
- 93.146 1.734 129.537 -76.278
- 113.050 179.013 151.283 -89.917
- 95.472 8.338 130.148 -73.764
- 118.491-172.933 153.765-133.572
- 135.490-110.458 110.630 -87.395
- 126.668-155.182 110.112 -77.825
- 121.819 0.000 146.996 -82.102
- # 58 total E -2.63138E+01 rmsd from N 0.000 %NC 0.00
- 124.104-120.464 144.069 -25.555
- 124.222-176.891 146.192 18.527
- 97.322 59.605 144.688-156.603
- 93.681 153.042 130.224 -76.209
- 122.428-113.919 138.810-134.072
- 140.428-127.124 145.499 -2.697
- 116.788 -99.954 140.242 -33.246
- 114.993-106.712 129.317 -63.251
- 93.031 -77.942 155.859-167.870
- 98.317 -7.091 102.010 -76.605
- 122.238-116.213 171.310-151.972
- 115.901 -84.653 131.315-144.186
- 95.562-177.459 154.159 -28.413
- 122.542 3.122 143.444-144.708
- 96.274 177.894 110.341 -85.407
- 99.321 3.491 109.925-132.732
- 117.196-172.509 154.609 -76.563
- 129.712-105.731 149.763 -99.131
- 125.947-105.600 140.477 23.538
- 124.658 -70.983 155.410-173.549
- 111.125 -17.520 0.000 0.000
- 94.590 104.907 133.345-102.319
- 94.807 95.267 137.122 -95.881
- 129.736-107.130 132.811-124.947
- 127.275-112.530 121.694 -79.995
- 129.010-171.587 158.518-160.743
- 114.849 -1.367 130.077-135.755
- 113.662-172.876 153.741-144.359
- 128.499 -94.490 168.503-163.887
- 122.740-167.229 121.660-128.636
- 125.048-172.743 121.671 -81.224
- 134.885-175.562 136.824-173.082
- 93.848 63.805 132.825 -33.114
- 91.516 86.276 128.936 -76.061
- 92.561 65.446 140.946-138.345
- 93.265 127.406 146.132 -26.073
- 92.245 13.230 141.982-126.289
- 111.395-170.763 147.694 -68.660
- 124.666-132.498 140.509 -34.959
- 92.685 45.048 128.784 -75.654
- 92.236 58.130 131.353 -75.512
- 90.913 68.882 124.446 -69.639
- 91.137 72.114 133.277-146.371
- 93.225 79.617 138.261-143.440
- 95.478 64.275 146.818 -24.052
- 91.914 0.000 129.213 -76.085
- # 59 total E -2.63127E+01 rmsd from N 0.000 %NC 0.00
- 122.650-125.178 151.507-105.474
- 130.365-114.983 145.848 -51.619
- 132.837-175.081 176.386-175.205
- 117.157-177.810 151.353 -78.073
- 134.952-179.429 156.420 172.606
- 130.001 175.891 164.079 150.649
- 93.736 19.877 103.576-117.301
- 123.476-167.260 156.375 11.586
- 120.832-165.405 161.489-122.398
- 121.914 63.034 153.598 153.508
- 92.474 68.091 145.570 -99.312
- 130.365 -2.474 111.816-108.533
- 97.589 174.694 137.868 -34.640
- 134.413-151.266 164.556-178.906
- 95.382 7.100 123.939-119.841
- 118.479-176.331 139.385-110.380
- 138.259 178.853 148.375 -93.607
- 124.840-174.717 146.246 -46.037
- 94.950 59.879 117.397 170.855
- 111.139-177.199 147.434 -13.234
- 125.151 -19.021 0.000 0.000
- 121.203 175.421 169.175 7.831
- 96.743 62.506 156.267-135.493
- 93.762 105.393 112.203 -65.006
- 145.608 179.253 126.555 -87.684
- 113.236 -0.404 153.192-123.554
- 100.238 172.647 129.433-127.811
- 136.570 170.619 173.579 179.729
- 108.705 157.202 109.872 -79.699
- 127.644-175.509 122.761-127.767
- 126.628 166.849 125.895 -79.716
- 93.112 8.819 135.835-109.352
- 111.618-173.968 135.638 -34.351
- 106.621 11.992 149.277 -93.821
- 110.745-168.674 110.583 -71.737
- 118.552-169.043 141.950 -82.046
- 130.253-102.451 157.755-140.516
- 125.712-104.817 154.283 -83.874
- 101.237 -6.281 117.774-136.560
- 115.281 77.197 147.894 -81.446
- 112.342 -9.372 110.144-123.775
- 107.614 172.826 109.067 55.312
- 131.773-102.559 153.749 147.482
- 126.135-172.485 156.004 -21.297
- 125.140-167.408 149.480 -18.752
- 121.942 0.000 148.334 -82.779
- # 60 total E -2.62047E+01 rmsd from N 0.000 %NC 0.00
- 92.032 60.827 137.822-103.691
- 131.183-112.825 141.575 -33.768
- 122.826-163.900 153.601-154.613
- 131.548-112.447 143.467 -84.221
- 134.227-177.989 159.649 155.945
- 114.815 6.462 156.007-173.166
- 95.391-176.065 92.305 -77.846
- 149.627 164.611 133.418-105.138
- 91.783 -79.705 133.645 -53.136
- 98.406-164.754 98.178 -65.652
- 104.116 78.800 137.085-140.480
- 96.935 12.867 99.326-104.796
- 121.417 178.492 146.675 -22.347
- 139.171 177.743 165.804-163.004
- 115.291 167.859 153.214 -22.575
- 128.451 97.509 146.870-151.823
- 130.247 176.005 154.694 -71.910
- 129.437-179.841 138.270 -18.530
- 111.381 45.444 130.081-160.437
- 116.459-163.860 111.787 -78.210
- 108.568 -9.654 0.000 0.000
- 118.952 156.818 165.897 9.162
- 94.693 55.891 138.074-113.479
- 93.362 173.855 99.337 -37.018
- 122.409-101.910 120.987 -80.946
- 135.725-107.163 162.484-160.070
- 132.306 -97.015 144.531-162.877
- 118.930-106.274 153.726 -23.210
- 130.517-172.650 161.379-163.471
- 125.629 -0.251 118.542-122.924
- 124.690 -13.458 147.017-100.527
- 103.178 173.028 139.557-118.665
- 143.116 160.352 151.026 -41.951
- 93.177 -8.468 129.644 -76.222
- 124.067-174.989 113.093 -76.977
- 109.223 -0.520 168.368-145.281
- 94.200 179.254 147.268 -45.143
- 93.934 -2.669 130.879 -77.577
- 125.750-120.934 146.472 173.841
- 132.498-103.616 144.017 -90.191
- 134.238-171.959 149.078-118.403
- 112.382 1.563 127.049 -66.260
- 111.187 179.832 152.175-123.587
- 121.319 -1.464 110.916 -87.389
- 123.711-134.183 149.697 -18.827
- 92.359 0.000 129.497 -76.168
- # 61 total E -2.56249E+01 rmsd from N 0.000 %NC 0.00
- 92.065 116.652 132.515 -81.991
- 121.859 121.937 155.191 -87.041
- 104.038 -3.906 147.280 -26.045
- 99.993-111.105 128.478 -75.263
- 119.551-162.359 159.175 173.076
- 138.277 104.875 94.231 -75.712
- 108.907 -5.806 149.051-149.849
- 128.185 -4.657 160.683 -73.989
- 111.071 65.519 155.272-113.533
- 96.025 34.314 122.483 -47.907
- 106.109 73.148 157.246-145.066
- 125.775-103.196 118.239-118.212
- 96.137 148.073 145.849 -24.405
- 127.423 117.455 164.214-154.744
- 115.711 113.351 145.348-157.918
- 97.836 -4.122 128.095-113.918
- 110.712-111.377 156.316 -74.070
- 94.013 97.416 138.762 -99.548
- 128.172 167.604 140.387-121.340
- 124.471 173.852 148.548 -20.195
- 119.299 1.824 0.000 0.000
- 128.626 177.681 174.050 161.459
- 109.735 6.738 161.783-122.577
- 93.699-153.034 130.600-130.270
- 156.329-174.224 131.593 -90.539
- 123.583-171.495 152.572-139.152
- 114.836 4.446 134.388-141.180
- 113.494-179.566 153.870-143.280
- 126.071-170.776 164.636-158.688
- 121.062 77.507 122.811-131.393
- 127.695 177.218 151.025 -93.424
- 135.423 166.854 140.465 -17.770
- 95.821 63.296 115.320 -75.397
- 132.364-177.406 148.198 -71.555
- 112.414-176.175 145.643-143.063
- 131.079-176.158 152.570-164.748
- 111.855 17.690 154.750 -23.562
- 94.143-178.500 129.152 -75.579
- 133.205-110.076 131.158-135.367
- 124.788 -99.570 147.281 -83.396
- 126.277-117.335 126.212-115.229
- 132.701 168.486 132.853 -64.219
- 133.701 91.475 176.400-168.792
- 127.267 172.100 153.648 -9.128
- 125.393-174.489 108.734 -81.130
- 92.258 0.000 129.525 -76.092
- # 62 total E -2.55982E+01 rmsd from N 0.000 %NC 0.00
- 92.189 149.067 137.982 -75.545
- 124.916-119.246 146.128 -42.995
- 132.400 178.002 158.018-166.347
- 122.822 -13.825 147.642 -94.163
- 125.323 -9.988 156.524 5.391
- 95.089 140.343 146.295-145.878
- 143.092-176.887 151.798 -99.562
- 114.342 175.382 136.798 -70.773
- 93.262 3.686 142.756-113.902
- 126.579-171.643 148.193-152.456
- 116.583-168.994 153.588 -23.501
- 117.860-167.124 129.382-138.345
- 121.921 -99.140 149.997-161.930
- 124.427-178.230 155.355 -12.912
- 108.761 5.199 110.695 -86.361
- 123.119 179.736 151.049 149.289
- 94.299 37.452 126.125 -85.487
- 115.679 163.410 134.247 -26.951
- 119.043 57.834 110.378-165.117
- 97.034 28.190 109.652 -82.245
- 115.651 -79.579 0.000 0.000
- 129.127-177.930 168.766 8.091
- 130.944-105.758 125.960 -77.055
- 113.121 -84.076 142.027 168.328
- 121.024-113.891 120.440 -79.676
- 117.547 -4.907 143.127-145.569
- 111.816 167.494 124.030-129.791
- 96.757 -1.796 147.789-133.959
- 127.910-113.812 112.327 -78.278
- 118.985 -93.246 123.210-132.852
- 131.085-170.264 123.572 -81.875
- 130.388-169.634 135.478 25.235
- 95.171 -3.003 112.616 -74.831
- 116.617-142.759 139.601 -60.683
- 90.976 56.764 146.319 -24.460
- 90.488 77.152 147.121 -39.721
- 89.667 74.743 128.827 -62.557
- 90.950 80.311 128.335 -75.782
- 93.748 99.022 90.796 -82.961
- 100.064-105.416 130.082 -77.087
- 124.635-107.468 136.431-103.521
- 129.265-106.862 133.516 -61.165
- 123.432-174.541 154.901 -16.719
- 129.875-179.148 112.203 -80.151
- 117.836 29.988 150.718 -20.919
- 91.917 0.000 128.804 -75.935
- # 63 total E -2.53509E+01 rmsd from N 0.000 %NC 0.00
- 92.137 -14.015 133.329-109.098
- 133.317 173.417 138.399 -21.190
- 135.277 179.050 174.979 174.614
- 118.723 164.193 150.317 -79.316
- 117.122 115.860 140.792-142.205
- 124.573 172.986 149.897-176.937
- 133.162 104.143 149.816 -79.383
- 113.430 119.264 127.359 -77.258
- 93.509 -84.567 112.390 -65.585
- 95.177-103.792 134.292-102.959
- 129.301-157.266 165.751 167.489
- 125.904-172.511 118.715-118.845
- 118.701 115.598 149.143 -19.019
- 93.487 64.569 143.389-110.972
- 117.891 173.562 146.526-158.114
- 121.108 63.797 151.295-131.117
- 102.337 166.872 133.825 -66.497
- 133.493-113.170 147.977 -81.942
- 125.009-169.525 121.101 162.918
- 124.605 179.272 157.636-160.736
- 131.744 -0.347 0.000 0.000
- 125.551 -3.765 170.453 165.490
- 124.145 134.901 163.525-118.489
- 117.570 105.918 153.082-150.764
- 94.372 -8.880 114.899 -76.488
- 101.723-109.264 151.026 -28.443
- 132.878-164.247 150.474 -88.597
- 114.960 169.100 108.003 -83.495
- 136.074 -92.543 165.088 -2.232
- 112.082 -96.449 89.585 -88.707
- 118.193 176.601 120.050 -79.366
- 133.665-177.212 152.087 150.144
- 94.121 59.934 115.235 -75.355
- 93.107 99.541 129.331 -76.079
- 114.564 94.230 152.891-148.255
- 127.306-117.110 162.056-176.080
- 137.807-117.209 168.698-162.655
- 106.744 13.194 150.996 -78.394
- 95.348 157.151 114.343 -53.087
- 146.717-112.777 155.936 -79.329
- 94.970 7.161 127.154 -79.264
- 119.973 168.714 109.043 -62.042
- 118.003 59.924 174.213-155.948
- 115.177 173.879 145.483-161.526
- 127.873-158.963 152.113 -24.960
- 121.777 0.000 147.925 -82.025
- # 64 total E -2.46349E+01 rmsd from N 0.000 %NC 0.00
- 92.027 57.541 137.037-101.869
- 125.680-174.609 150.580 -8.647
- 94.724 60.346 145.068-145.316
- 91.955 106.002 129.931 -75.816
- 94.664 55.942 99.285 -88.548
- 133.411-169.324 144.773 21.766
- 139.144-123.012 145.565-133.583
- 123.441-126.552 154.542 5.542
- 138.540 178.599 174.104-172.151
- 106.287 0.068 153.542 160.937
- 103.112 -91.060 148.663 -94.800
- 118.709-103.240 124.015-130.944
- 132.614-136.443 156.498 172.926
- 93.582 8.363 148.802-136.122
- 115.751 178.181 153.552 -23.694
- 130.853-166.452 152.391 -68.387
- 104.304 -7.120 148.942 -93.379
- 118.572 175.158 147.404-119.503
- 140.259-168.975 141.558 105.916
- 137.147 -62.271 147.629 -33.346
- 137.421-163.326 0.000 0.000
- 143.820 -9.280 115.272 -94.173
- 123.032-175.565 162.742-163.569
- 133.096-178.503 134.734 1.962
- 116.647 115.858 118.183 -79.288
- 114.224 67.393 155.811 -27.187
- 128.969 170.642 149.059-152.352
- 127.713-173.974 153.680 -12.879
- 116.997 77.476 149.866 -19.361
- 102.806 -99.207 96.176-111.457
- 122.607 173.692 147.797-109.232
- 133.740-107.859 137.915 -32.585
- 117.812-106.413 118.526 -77.866
- 135.307-177.572 142.852 -63.796
- 94.815 24.998 107.099 -81.027
- 113.019 162.569 151.542 -32.027
- 110.040 64.487 157.178 -25.620
- 93.623 -2.258 128.261 -75.361
- 120.269 173.926 128.153 -47.180
- 120.575 1.951 151.577 -91.595
- 125.762-169.535 171.652 175.651
- 95.583 117.838 128.955 -81.280
- 111.209 64.914 145.265-100.781
- 121.933 170.541 152.080-171.400
- 127.394 -27.460 151.032 -17.519
- 91.991 0.000 129.468 -76.156
- # 65 total E -2.45414E+01 rmsd from N 0.000 %NC 0.00
- 92.091 -10.245 129.036 -87.528
- 133.581-176.597 134.213 -17.804
- 117.402 169.836 145.478 -21.120
- 93.289 -3.635 129.714 -77.031
- 126.257-174.084 157.936 164.332
- 136.851 153.277 147.844 5.470
- 114.771 -7.692 140.764 -32.976
- 110.217 -11.449 136.859 -86.078
- 118.859-178.460 167.592-152.479
- 113.341 0.021 161.777 -13.233
- 106.601-162.554 156.412 -24.994
- 116.652 11.837 132.645-145.205
- 114.333-174.570 147.138-151.396
- 120.335 60.540 137.581-119.625
- 120.376 171.525 154.894 -20.211
- 130.716-173.991 152.372-147.033
- 100.341 -0.127 139.818 -85.324
- 113.959-178.103 147.085 -21.198
- 122.695 -9.231 116.933-129.056
- 97.024 -47.694 144.069-136.112
- 121.308-162.987 0.000 0.000
- 133.301 165.884 170.810 167.502
- 118.691 178.684 141.681 -86.496
- 128.964-174.349 152.462-159.579
- 114.793 -2.436 119.714 -78.306
- 119.900-177.918 162.694-128.463
- 112.990 105.383 122.114-128.553
- 129.858-111.436 117.803 -94.372
- 96.961 77.699 107.928 -78.497
- 108.465-167.142 94.127 -69.141
- 92.276 92.471 115.966 -76.040
- 91.537 71.463 116.642-109.931
- 92.579 98.818 113.249 -74.239
- 92.694 57.399 129.147 -76.037
- 105.217 173.091 146.629 -20.323
- 124.121-175.352 144.478-167.512
- 94.141 10.642 148.779 -35.188
- 118.607-173.945 147.195 -77.730
- 134.061-174.897 132.363-132.902
- 130.948-178.919 145.494 -84.561
- 96.079 -2.460 131.854 -95.792
- 124.038-173.774 174.746-172.420
- 108.968 0.324 155.022-111.484
- 97.026 174.484 147.102 -24.768
- 96.090 17.074 109.479 -85.575
- 114.455 0.000 147.009 -84.200
- # 66 total E -2.43101E+01 rmsd from N 0.000 %NC 0.00
- 91.942 36.870 119.422 -57.805
- 145.063-170.265 129.929 33.081
- 94.838 13.989 144.995-145.882
- 107.424-168.388 153.554 -88.659
- 137.417-151.431 157.841 0.222
- 118.549-142.280 79.860 -69.553
- 113.756 0.758 128.074 93.839
- 95.864 106.922 131.568 -68.357
- 93.248 -10.951 150.776-118.917
- 101.508-110.391 141.089-113.633
- 125.011-166.794 173.793-162.285
- 123.934-165.390 120.013-121.583
- 111.492-172.252 142.041-160.545
- 126.311 177.416 148.026-147.589
- 128.387 175.437 156.157 -16.266
- 130.793 177.088 152.403-139.925
- 132.785-178.834 153.958 -82.419
- 129.607 176.805 144.291 -41.546
- 118.994 49.552 136.102 -49.134
- 123.761-176.896 154.729-160.101
- 125.835 177.050 0.000 0.000
- 94.186 3.243 128.243-104.927
- 114.666-177.262 173.343-172.928
- 102.624 4.328 147.658-126.401
- 118.105-171.825 142.152 -52.187
- 111.635 0.380 143.232 -92.867
- 119.739 178.841 128.432-120.609
- 124.943 176.519 161.657-160.898
- 125.844 78.019 117.864 -85.498
- 123.199 177.068 121.587-127.171
- 122.671 -7.179 120.656 -80.324
- 125.076 178.693 147.457-134.444
- 132.239 172.498 123.184 -77.675
- 116.896 54.536 143.333 -81.804
- 110.524 174.685 140.869 -13.105
- 118.028-177.717 151.317-166.939
- 93.877 10.696 151.761-147.492
- 119.118-170.722 148.659 -74.709
- 128.371-102.835 132.017-134.861
- 129.252-106.328 147.800 -82.921
- 135.143-172.030 150.738-113.533
- 128.443-175.992 118.131 -60.216
- 107.757 1.762 150.692 -99.973
- 108.063-173.213 142.121-157.655
- 128.799-159.920 152.812 -16.040
- 121.966 0.000 148.100 -82.125
- # 67 total E -2.36907E+01 rmsd from N 0.000 %NC 0.00
- 123.356-142.421 145.572 -58.760
- 111.425 3.593 152.246 -81.401
- 115.105-174.268 142.455 -24.791
- 125.952 177.856 147.788 -74.346
- 93.705 60.645 130.176-139.315
- 93.238 100.851 122.156-122.610
- 91.509 18.777 88.196 -91.062
- 104.295-170.136 132.781 -60.565
- 92.042 73.537 152.678-149.352
- 94.112 -2.565 125.850-132.625
- 122.991 162.625 176.452-158.950
- 92.732 67.384 136.462-161.873
- 102.980 158.502 104.753 -86.298
- 120.822 61.883 134.568-142.362
- 118.183 172.438 154.189 -21.857
- 132.979 174.994 147.868-156.107
- 127.443 101.653 154.723 -86.251
- 132.562 171.850 135.491 -17.697
- 113.474 49.907 144.193-131.232
- 119.136-175.041 153.454-154.267
- 135.247 179.879 0.000 0.000
- 133.971-113.014 174.452 152.798
- 123.852-113.160 133.186 -84.183
- 93.246 59.251 134.821-160.991
- 97.577 157.535 115.211 -77.099
- 135.280 164.985 143.238-129.430
- 94.931 66.596 126.400-139.397
- 97.201 146.891 108.934 -84.402
- 118.879-167.819 159.734-135.437
- 125.761-173.724 118.678-123.380
- 133.087-172.975 124.429 -79.139
- 92.904 60.726 136.394-108.226
- 96.429 117.296 114.775 -75.415
- 130.505-151.915 137.938 -60.820
- 94.113 0.823 141.852-137.950
- 114.431 172.870 155.155-152.351
- 93.815 10.713 148.644 -32.956
- 114.394-178.602 143.843 -72.802
- 97.074 3.782 107.058-128.842
- 115.962-176.586 148.078 -81.924
- 125.148 -1.252 155.381 -75.838
- 111.634 -3.093 112.316 -64.218
- 116.372 173.415 148.316 -25.630
- 95.820 55.324 111.825 -86.095
- 121.371-129.570 109.498 -79.318
- 122.136 0.000 146.117 -83.469
- # 68 total E -2.26011E+01 rmsd from N 0.000 %NC 0.00
- 92.002 99.241 136.173 -71.511
- 93.864 60.763 138.384-103.969
- 133.919 174.529 175.065-178.318
- 115.081-174.260 154.681 -82.845
- 124.350 2.432 152.221 167.007
- 106.637-177.930 110.573 -39.376
- 125.906 -6.228 132.418-149.226
- 122.896-125.141 132.226 -64.940
- 101.060 -78.162 156.909-134.940
- 112.872-138.811 135.279-113.031
- 133.563-161.071 175.568-163.393
- 91.632 73.944 102.985-106.757
- 89.732 64.971 124.010-116.069
- 90.357 78.965 131.607-102.987
- 89.956 69.533 129.974-142.830
- 92.786 97.556 124.481 -93.394
- 116.110 95.525 149.841-110.294
- 114.153 168.731 151.727 -81.364
- 131.687-166.459 119.565 175.034
- 95.917 79.463 144.292-136.189
- 120.627 72.579 0.000 0.000
- 134.709-109.260 171.536 155.375
- 123.602-133.893 138.069 -84.310
- 91.847 58.000 133.303-147.712
- 92.948 99.326 112.812 -75.515
- 93.362 60.547 141.709 -49.702
- 123.119 173.027 141.846-138.993
- 124.216-113.998 156.837 -19.830
- 127.862 -96.310 115.718 -77.110
- 124.553-170.382 123.197-127.479
- 95.148 0.614 115.513 -77.197
- 112.355 162.877 150.238-126.141
- 127.014-103.670 124.785 -79.616
- 94.606 -84.228 129.351 -75.995
- 109.251-106.865 148.798 -23.064
- 124.157-104.601 148.447-163.207
- 122.032-177.210 155.762 -17.098
- 126.398 178.678 152.827 -82.669
- 97.439 2.124 118.456-141.724
- 118.129-170.506 147.823 -84.115
- 129.101-109.184 140.185-105.146
- 128.317 -99.419 148.849 -60.920
- 118.887-100.393 145.897 -73.713
- 119.852 68.540 146.296-157.208
- 96.371 107.626 143.551-124.764
- 116.742 0.000 144.275 -86.944
- # 69 total E -2.25299E+01 rmsd from N 0.000 %NC 0.00
- 122.625-113.689 152.342 -77.018
- 136.321 174.734 121.366 -38.037
- 100.664 0.424 108.672 -80.432
- 113.558-165.708 148.569 -96.908
- 130.802-105.482 158.058 -2.695
- 114.191 8.824 170.031 8.699
- 98.305-179.220 72.328 -97.756
- 127.561 106.627 164.856-106.032
- 92.266 80.638 139.778 -48.008
- 113.433 -94.641 86.329 -89.818
- 118.432-163.433 161.391 -10.284
- 95.503 17.668 130.464-152.269
- 123.305-117.440 151.782-161.880
- 127.917-159.557 156.065-154.585
- 96.378 4.465 133.376-141.988
- 115.779-179.687 152.594 -85.362
- 101.427 0.300 128.494-101.525
- 112.368 174.246 151.275 -79.199
- 122.231 -11.105 111.841 154.258
- 112.939 16.986 111.176 -82.604
- 127.597-176.036 0.000 0.000
- 132.093-118.579 112.512 -91.256
- 116.312-112.405 138.729-101.803
- 134.794 177.342 138.479 100.171
- 95.047 101.027 116.340 -76.477
- 113.639 75.282 143.903-119.859
- 131.400 175.645 147.484 156.252
- 127.277-174.002 115.280 -83.222
- 125.131 -97.152 165.216-158.202
- 119.345 -98.102 122.600-132.269
- 130.370-175.839 155.312 -68.020
- 93.305 2.606 136.126-105.239
- 117.813-170.665 119.174 -77.495
- 131.073-100.992 145.223 -76.980
- 124.146-118.202 141.730 -32.065
- 116.349 166.765 143.595 -95.755
- 117.304 57.273 154.413-160.851
- 111.162 -7.126 141.891 -71.078
- 108.694-172.885 148.739-134.138
- 134.864-176.339 154.709 -89.460
- 94.724 12.314 135.354 -83.246
- 112.057 164.438 105.309 -71.002
- 94.382 9.786 153.242 -29.740
- 113.783-173.077 148.107 -15.662
- 95.777 100.106 143.769-132.796
- 115.435 0.000 142.021 -84.875
- # 70 total E -2.24002E+01 rmsd from N 0.000 %NC 0.00
- 124.028-159.502 141.126 -44.820
- 92.380 66.595 136.609 -93.510
- 91.972 76.403 141.079-134.765
- 90.697 76.895 130.551 -77.319
- 91.477 82.447 166.280 5.740
- 90.476 81.854 122.671-117.768
- 89.621 64.813 154.070 166.118
- 93.744 106.083 139.602 -80.994
- 91.699 -88.474 144.034-135.605
- 103.946 -9.963 155.427 -19.647
- 111.283-166.225 151.243 -20.467
- 110.442 -82.823 130.707-146.415
- 95.289-179.233 138.965-137.262
- 124.001-106.811 147.042-150.079
- 117.088-102.224 148.453-156.576
- 124.825-107.498 154.124-135.705
- 125.643-108.298 154.257 -81.872
- 127.138-107.583 151.347 -84.396
- 125.084-110.507 123.683 -49.882
- 95.644 14.461 109.697 -81.829
- 121.595-175.869 0.000 0.000
- 123.580-118.427 137.285-109.813
- 122.009-103.800 167.536-154.014
- 132.077-167.533 144.347 -56.814
- 123.865 175.947 122.124 -79.250
- 118.135 59.305 147.113-138.201
- 122.942 173.922 127.816-125.018
- 123.092-106.285 160.178-160.409
- 126.094-105.153 112.765 -78.828
- 125.229 111.599 121.984-127.208
- 132.369-108.313 153.492 -91.298
- 133.324-177.491 132.500 -43.289
- 95.421 2.391 135.050 -57.987
- 121.778-175.464 147.031 -84.635
- 128.898-173.156 149.503 -11.180
- 91.873 59.997 142.440 -36.302
- 91.679 74.705 169.846-137.198
- 91.501 54.993 128.815 -75.755
- 94.134 100.020 108.091-123.419
- 148.034 178.775 134.622 -97.173
- 93.806 5.648 134.715 -82.230
- 116.373 142.157 104.173 -66.725
- 94.605 99.985 163.540-137.473
- 118.706 8.672 146.424-175.683
- 122.845 149.003 148.997 -19.152
- 92.110 0.000 129.623 -76.281
- # 71 total E -2.23448E+01 rmsd from N 0.000 %NC 0.00
- 92.050 59.466 137.833-103.692
- 129.648-178.151 139.568 -20.717
- 124.575 172.718 147.710 -15.775
- 92.812 -7.882 131.390 -78.065
- 125.947-107.645 152.314 13.316
- 121.589 -73.029 99.063 -82.576
- 92.517 65.231 96.771 -82.302
- 112.512-156.155 155.855 -54.812
- 108.378 49.506 162.867-146.805
- 95.282 58.571 136.985 -43.316
- 131.075-172.652 167.541-171.737
- 103.937-170.630 99.119 -94.713
- 125.541-104.816 150.677-168.608
- 124.556-176.459 150.219 -98.127
- 109.660 -0.304 146.186-151.426
- 121.493-177.388 147.275 -17.233
- 124.645 18.880 156.159 -73.841
- 137.055 -3.869 128.165 -91.181
- 127.993 -8.962 105.945-115.388
- 120.516 -71.810 103.083 -79.578
- 92.411 172.342 0.000 0.000
- 94.649 57.102 123.680-100.646
- 93.045 52.265 129.411 -95.474
- 92.270 49.999 116.259-116.364
- 96.193 1.611 107.782 -80.394
- 141.931-168.658 171.551 174.081
- 93.347 64.272 119.159-154.931
- 94.380 124.549 112.678 -86.291
- 140.741-161.829 176.454 175.122
- 93.138 87.678 97.639 -75.330
- 95.594 70.788 114.155 -76.454
- 122.565 116.065 138.552-135.438
- 122.391-105.933 114.565 -81.804
- 93.960 -4.464 130.367 -76.803
- 113.133 68.072 109.993 -84.911
- 124.052 176.473 166.358-146.981
- 129.695-167.438 169.206 165.670
- 125.654 64.365 146.092 -79.783
- 132.159 172.300 147.223 -50.099
- 130.089-176.029 149.129 -82.530
- 115.473 2.403 149.261 -83.275
- 116.240-172.415 105.803 -62.058
- 124.280-101.505 162.982-141.675
- 120.051-107.750 152.492 -20.238
- 125.256 -65.234 110.205 -79.262
- 92.123 0.000 129.495 -76.163
- # 72 total E -2.22743E+01 rmsd from N 0.000 %NC 0.00
- 92.040 59.248 137.671-103.587
- 132.288-170.041 131.631 -0.036
- 110.751 -95.985 148.769-148.042
- 125.253-106.847 143.132 -87.234
- 131.264-109.835 103.309 -81.953
- 131.436-108.620 99.242 -76.950
- 124.023-174.660 150.776 -45.002
- 127.541-175.508 164.812 -97.464
- 120.930 158.675 150.194 -15.453
- 93.012 70.525 121.994-143.555
- 115.868-121.603 145.779 -88.525
- 95.205 25.174 130.521-153.005
- 115.806 171.940 150.499 -20.853
- 115.806 60.095 152.042 -30.513
- 119.370 174.172 111.329 -87.383
- 129.905-112.448 147.719-155.346
- 130.148-169.400 155.428 -86.455
- 112.617 0.541 151.027 -72.843
- 113.677 178.469 102.546 -67.469
- 122.329 23.109 110.669 -82.741
- 95.678 89.997 0.000 0.000
- 92.408 14.140 127.593-110.424
- 117.604-172.614 171.400 157.323
- 93.192 19.893 140.945-130.057
- 113.132 169.530 119.443 -79.185
- 93.777 5.166 142.193 -49.650
- 122.371-169.922 144.852-123.210
- 127.417-103.314 113.655 -80.829
- 121.984-107.560 154.806 -19.987
- 125.118 108.625 122.621-127.601
- 131.208-110.551 152.856 -90.944
- 128.894-108.189 140.999 -28.692
- 125.831-108.541 120.282 -78.928
- 129.368 -99.686 145.110 -67.329
- 117.182-110.427 107.486 -78.633
- 91.423 58.004 146.613 -46.500
- 91.096 90.833 142.884 -30.063
- 90.390 65.861 128.155 -76.165
- 90.680 93.322 93.322-104.026
- 92.779 66.277 129.395 -77.197
- 127.783 170.197 144.180-113.690
- 112.478 4.146 126.384 -66.442
- 113.518-171.940 153.485-123.756
- 129.567-110.446 154.506 -14.975
- 125.852-164.550 149.513 -18.612
- 121.822 0.000 148.042 -82.263
- # 73 total E -2.21480E+01 rmsd from N 0.000 %NC 0.00
- 92.029 55.881 136.336-100.770
- 122.261 177.042 153.100-142.281
- 117.184 0.145 151.504-154.311
- 125.021-169.586 151.593 -79.193
- 136.675-177.081 167.200 151.956
- 111.318 20.095 149.408-170.988
- 97.091-163.917 103.552 -79.800
- 135.825 118.458 156.745 -87.823
- 90.620 75.654 139.572 -93.819
- 93.284 107.103 107.065-130.596
- 106.761-172.891 153.974 -31.755
- 115.811 178.655 128.612-140.452
- 115.294 -6.789 149.851 -21.232
- 110.072 171.773 150.176 -33.801
- 123.734 8.473 148.791-161.896
- 94.121 77.369 149.921 -87.927
- 91.955 69.405 143.897-112.884
- 91.443 85.972 131.606-106.056
- 93.528 79.669 132.113-102.205
- 116.728-178.461 158.783-154.105
- 112.514 -6.377 0.000 0.000
- 121.680 172.709 175.934 164.240
- 122.956 178.348 164.252-128.693
- 136.181-176.411 150.681 -83.388
- 118.128-170.229 121.654 -78.891
- 126.506-102.045 151.089-159.652
- 129.551-101.962 133.131-116.485
- 122.959-167.733 161.271-151.686
- 126.880-114.053 165.392-163.724
- 122.986 10.356 122.216-129.067
- 120.740 176.285 147.266-103.470
- 135.549-171.332 130.764-162.869
- 128.474-104.934 121.337 -78.931
- 131.497-106.420 140.736 -73.230
- 110.220-172.354 152.542 -16.043
- 116.654 3.149 141.983-170.785
- 106.967 179.214 145.610 -38.560
- 124.619 0.930 147.217 -83.123
- 95.299 100.881 120.319-112.459
- 128.469 101.315 152.582 -91.182
- 136.359-179.809 164.017-117.477
- 111.370 -1.117 126.460 63.530
- 113.987-171.965 158.841-147.037
- 136.897-110.326 112.653 -87.576
- 125.936 179.632 109.934 -78.190
- 92.235 0.000 129.491 -76.131
- # 74 total E -2.20857E+01 rmsd from N 0.000 %NC 0.00
- 122.652-127.223 151.322-105.485
- 132.064-164.047 130.442 -1.356
- 118.725 -91.034 151.616-153.486
- 102.139 176.632 129.729 -76.751
- 125.420 71.243 111.429 -91.355
- 128.361 163.905 158.217 161.101
- 117.031 100.352 149.012-125.254
- 127.337 179.993 158.378 -60.804
- 115.775-174.115 130.614 -54.838
- 101.990 -5.721 124.595-137.327
- 118.906 81.308 161.244 -9.395
- 118.828 7.381 118.468-121.990
- 97.756 53.772 142.625 -37.175
- 110.980 179.834 139.609 -45.233
- 121.461 177.371 157.790 5.739
- 125.805-126.815 141.586-125.284
- 93.323 40.049 137.301 -88.893
- 92.621 73.768 136.607 -92.366
- 94.129 74.796 133.977 -46.044
- 96.028 94.930 144.037-146.116
- 113.314 -19.615 0.000 0.000
- 117.805 170.399 123.035 -86.756
- 131.013-170.074 165.777-115.532
- 121.334-108.851 153.007-129.160
- 114.658 -7.918 146.077 -59.916
- 121.327-177.640 162.694-161.082
- 132.093-170.403 135.947-132.293
- 123.594-105.046 155.217 -20.002
- 124.627 -95.062 166.169-160.894
- 122.577-168.453 122.758-130.378
- 131.570 179.226 153.839 -68.388
- 93.430 3.134 135.701-103.786
- 117.123-179.039 118.502 -77.406
- 116.902 3.963 145.824 -79.443
- 113.167-169.885 147.555 -8.653
- 110.403 1.326 150.308-144.193
- 115.015-171.371 158.814 -15.052
- 115.077 8.731 148.140 -81.985
- 110.804-177.211 148.726-143.218
- 136.286-177.692 143.894 -89.827
- 94.823 12.474 135.499 -82.569
- 119.423 173.942 104.231 -65.871
- 113.242 58.161 149.280 -83.726
- 123.177 170.618 111.956 -87.290
- 128.229-148.206 110.859 -78.563
- 121.719 0.000 147.062 -81.653
- # 75 total E -2.20075E+01 rmsd from N 0.000 %NC 0.00
- 92.040 60.977 137.875-103.514
- 130.580-117.534 140.766 -20.993
- 128.947-172.192 116.260 -77.195
- 92.558 12.955 129.930 -76.645
- 114.341 179.452 159.891-163.844
- 131.872-124.872 149.555 -14.847
- 91.785 45.742 93.970 -83.341
- 91.997 80.030 136.762 -91.961
- 90.860 68.636 140.307 -84.604
- 92.886 43.899 124.613 -43.649
- 107.370 -92.802 155.432 -31.786
- 105.237-174.754 100.200 -85.509
- 146.422-170.893 118.476 -88.341
- 122.339-176.989 155.586-141.522
- 124.085 172.288 143.869-128.725
- 99.587 -3.227 135.768-109.397
- 114.133-174.648 152.187 -18.713
- 92.866 66.884 154.708-111.014
- 95.021 99.635 115.862-108.214
- 123.864 169.153 149.651 -13.882
- 122.457 170.978 0.000 0.000
- 127.262 179.056 147.230-118.303
- 120.000 173.660 145.652 -87.747
- 94.142 113.288 132.632-130.485
- 138.535 175.900 117.337 -83.183
- 118.171 176.789 153.906-146.255
- 130.424 -90.544 144.300-147.366
- 108.601-113.889 111.623 -82.406
- 135.743 76.192 153.708 -13.287
- 95.857 2.294 97.658-110.741
- 130.561 103.030 152.059 -91.962
- 136.729 -7.492 143.050-166.277
- 127.437-141.251 123.036 -77.364
- 91.952 55.522 129.812 -76.362
- 93.726 101.478 107.595 -73.685
- 93.138 66.408 151.857 -26.483
- 114.499 153.939 149.915-108.982
- 118.260 64.419 143.072 -74.079
- 127.927 173.976 146.364-152.563
- 131.116-177.450 149.036 -84.455
- 133.284-174.116 153.890 -72.936
- 117.191-179.509 110.730 -60.998
- 109.542 2.027 150.863-146.534
- 109.684-172.448 143.719-152.347
- 131.599 -25.821 113.917 -81.022
- 91.981 0.000 129.412 -76.129
- # 76 total E -2.17311E+01 rmsd from N 0.000 %NC 0.00
- 91.975 54.621 130.377 -81.745
- 135.774 173.734 138.325 -51.892
- 95.523 63.698 144.354-138.430
- 115.223 -0.996 142.765 -76.856
- 123.937-175.566 159.217 4.089
- 118.584 17.256 106.165 -71.229
- 113.114 176.402 147.114-129.233
- 114.216 9.865 143.239 -90.108
- 113.065-168.914 150.366 -92.070
- 128.047-172.705 144.358-151.001
- 118.577-169.500 152.836 -24.841
- 107.855-172.667 132.253-149.009
- 130.155-177.919 171.116 -16.277
- 124.978 -2.624 160.425 -11.987
- 96.506 161.716 144.710-138.754
- 127.911 95.240 137.520 155.864
- 135.161 170.492 142.899 -45.124
- 93.250 -1.871 136.352 -95.617
- 117.466-175.853 148.122-118.942
- 119.551 11.105 149.633 -14.511
- 123.437-174.742 0.000 0.000
- 126.198 169.771 170.129 167.647
- 134.189 177.058 162.207 -65.238
- 99.978 175.570 135.028-142.473
- 141.747 179.168 160.252 -93.546
- 93.395 4.325 147.614-110.367
- 114.225-176.780 122.733-116.011
- 136.308-172.820 119.578 -77.287
- 113.546-169.032 155.424-138.688
- 123.037 6.637 127.740-138.461
- 125.730 -4.117 150.391 -94.638
- 129.853-170.287 130.174 8.487
- 119.422-113.542 121.794 -75.531
- 92.173 56.853 129.444 -76.173
- 90.928 65.403 137.617-136.311
- 90.395 72.285 148.575 -88.455
- 90.903 83.616 143.535 -44.542
- 92.411 84.922 128.315 -75.675
- 132.028 179.443 133.104-136.591
- 127.394-105.338 148.123 -83.234
- 128.117-108.650 137.498-105.245
- 130.428-104.449 133.288 -60.679
- 118.444 -98.573 157.602 -18.413
- 131.934-106.972 113.034 -85.246
- 119.531 178.317 146.056 -29.762
- 123.785 0.000 150.317 -89.209
- # 77 total E -2.11857E+01 rmsd from N 0.000 %NC 0.00
- 92.034 61.808 137.015 -98.769
- 131.827 178.135 124.163 -58.104
- 120.083 -5.337 148.716 -16.736
- 94.229 155.755 131.010 -76.733
- 125.692 -11.424 153.330 153.345
- 124.319 -9.354 152.968 163.955
- 98.530 161.538 91.846 -92.013
- 134.407 102.232 165.950-179.813
- 118.792 169.286 147.485 -30.079
- 114.233-170.888 106.484 -66.622
- 121.717-167.478 148.519 -99.069
- 111.994-172.883 127.048-138.692
- 123.125 173.950 146.703-167.064
- 119.306 64.808 153.141-147.028
- 124.301 169.694 111.339 -87.556
- 132.299 176.391 152.846-116.418
- 121.015 98.911 154.745 -86.275
- 119.869 105.956 149.184 -75.211
- 130.628 172.608 126.196-164.239
- 126.523-176.917 162.837-165.364
- 114.956 -9.057 0.000 0.000
- 120.316 174.492 174.855 166.230
- 114.771 6.131 164.934-134.327
- 93.541 168.079 131.747-130.526
- 95.888 69.309 116.275 -78.171
- 115.149 105.767 155.718 -23.408
- 132.801 175.522 147.988 154.320
- 127.742-176.426 114.338 -83.590
- 127.745-104.062 112.536 -78.911
- 119.432 -97.915 123.084-132.545
- 131.295-159.021 125.024 -80.317
- 92.894 13.346 107.349 -67.192
- 114.581 164.483 119.651 -83.633
- 93.899 62.387 129.174 -76.013
- 106.062-178.633 144.045-149.021
- 152.417 170.773 176.443-167.406
- 91.743 63.499 153.428-141.708
- 93.678 139.814 126.935 -74.362
- 131.280 115.738 131.299-113.064
- 92.928 -4.848 129.551 -76.217
- 110.033-103.439 139.184 -95.294
- 130.306 -95.158 157.214 -60.165
- 134.581-178.638 159.066-136.961
- 106.150 -1.231 143.100-154.664
- 112.942-175.464 107.319 -78.056
- 124.487 0.000 149.867 -90.914
- # 78 total E -2.06326E+01 rmsd from N 0.000 %NC 0.00
- 92.034 57.304 136.728-101.280
- 126.363 175.130 142.783 28.786
- 97.913 55.738 108.958 -80.452
- 99.928 176.834 130.873 -76.658
- 132.841-164.578 158.219-165.838
- 128.990-100.855 162.730 160.509
- 131.013-165.574 148.417 -48.659
- 117.661-178.291 135.057 -80.744
- 119.650 -4.740 157.060-115.747
- 118.647 -5.327 95.272 -80.191
- 117.831-162.111 156.974 -19.102
- 93.261 71.503 102.708 -96.736
- 92.489 105.736 132.977-132.042
- 93.745 62.643 122.074-104.037
- 114.630 158.833 153.630 -23.541
- 115.753 6.794 145.070-152.159
- 119.707-173.010 147.773 -3.491
- 123.965-170.334 151.670 -92.812
- 136.481 179.762 107.784 -37.364
- 115.481 -4.019 150.579-154.497
- 99.932 168.530 0.000 0.000
- 121.774-146.380 176.435 157.945
- 94.943 47.904 163.394-126.458
- 91.388 47.198 105.173 -75.523
- 91.020 55.626 114.730 -77.880
- 90.903 59.807 138.381-130.166
- 92.820 71.868 133.635-137.519
- 94.704 20.698 141.539-126.539
- 115.038 -87.466 153.962 -23.026
- 119.746-174.691 124.580-132.511
- 95.461 2.273 135.758-127.106
- 112.091 149.881 151.305-119.513
- 138.195-175.922 126.635 -82.872
- 132.436-109.006 138.149 -71.756
- 111.340-174.948 146.866 -18.962
- 127.405-178.797 148.504-166.085
- 122.311 178.044 156.423 -18.823
- 127.736-178.608 152.729 -86.076
- 133.778-174.065 149.559-156.376
- 109.111 3.707 145.773 -84.380
- 97.481 174.032 135.984 -95.794
- 126.010 60.674 128.592 -65.305
- 121.244 175.084 153.600 -16.644
- 117.959 177.780 147.584-157.146
- 96.434 90.008 142.052-141.850
- 114.798 0.000 145.168 -83.198
- # 79 total E -2.05855E+01 rmsd from N 0.000 %NC 0.00
- 92.012 44.961 133.418 -99.348
- 126.006 174.636 159.984 -70.228
- 109.182 -4.186 109.298 -80.695
- 112.389-107.601 139.637 -86.503
- 130.370-111.909 159.092-166.264
- 144.482-125.936 142.284 -6.586
- 92.437 17.465 105.231 -70.348
- 104.370 146.157 141.167 -84.085
- 131.622-164.424 142.289 -54.335
- 95.021 66.564 135.628-130.968
- 106.808 165.747 151.782 -29.222
- 122.729-175.757 123.413-127.996
- 117.193 178.445 138.643-159.407
- 117.945 -1.374 154.752 -21.730
- 96.936 179.046 110.725 -86.241
- 137.933 175.102 139.261-137.154
- 124.391 177.367 153.671 -58.264
- 133.296-179.799 147.545 -58.691
- 94.443 60.432 120.756-163.326
- 111.347-173.304 150.453-146.620
- 131.495 -15.292 0.000 0.000
- 130.146 174.159 171.071 157.176
- 122.377 177.423 166.121-127.788
- 136.144-175.992 151.166 -86.065
- 118.336-171.470 146.971 -63.039
- 127.272-101.763 150.396-161.057
- 128.616-103.282 137.578-138.077
- 124.316-172.642 154.535 -17.620
- 115.204 82.348 113.564 -81.036
- 95.586 103.106 96.659-111.203
- 129.357-108.123 151.452-108.601
- 131.936-169.516 147.824-140.437
- 116.784 -0.361 142.755 -50.828
- 94.933 177.698 129.531 -76.055
- 132.179 177.556 149.266 -12.913
- 120.656-173.939 157.157-120.006
- 123.721-107.384 156.271-133.300
- 128.513-169.839 153.719 -79.029
- 133.525-179.455 145.297-165.481
- 92.945 1.617 129.559 -76.237
- 114.074-170.815 142.643-100.860
- 131.751-101.176 140.209 -60.587
- 124.955-105.513 156.109-127.938
- 123.226-171.160 149.706-162.216
- 126.411 120.058 150.129 -17.367
- 91.993 0.000 129.437 -76.109
- # 80 total E -2.00455E+01 rmsd from N 0.000 %NC 0.00
- 122.818-126.875 151.509-108.277
- 132.689-177.731 131.742 -14.094
- 123.849-175.159 110.952 -79.927
- 127.163-106.330 145.115-104.686
- 129.355-121.313 157.098 -1.755
- 134.075 -89.131 135.448 133.200
- 105.953-174.698 151.772 171.147
- 138.011 -4.314 134.673 -98.427
- 111.454 3.690 161.640-129.378
- 109.730-164.766 142.664-104.465
- 127.472 -94.769 159.299-132.874
- 121.499 -95.029 119.157-121.898
- 110.667 -83.946 108.822 -82.860
- 92.434 86.024 145.391 -33.654
- 92.953 63.160 138.353-142.525
- 108.683 168.871 146.894 -30.425
- 112.692 20.958 156.563-163.526
- 117.168-175.573 151.442 -75.644
- 121.757-168.551 128.333-111.963
- 97.908 82.086 110.432 -82.170
- 132.726 -13.500 0.000 0.000
- 132.173 149.606 169.395 152.193
- 126.897 179.948 163.952 -88.535
- 127.769 -97.517 147.425-120.872
- 123.584-101.711 120.138 -80.174
- 130.276 177.751 156.521-137.953
- 110.112 -3.306 125.600-134.785
- 113.527-148.823 153.576-143.438
- 133.009 -94.120 176.335-173.114
- 125.302 101.586 119.393-124.686
- 127.545-177.530 122.048 -81.307
- 134.472-105.805 135.412-179.061
- 130.139-175.407 122.036 -77.348
- 92.786 99.629 129.916 -75.907
- 95.290 53.751 105.082 -82.798
- 93.937 168.025 147.687 -34.225
- 132.527-175.363 170.412 -2.546
- 125.131-178.205 154.406 -81.486
- 108.458 1.425 137.759-171.556
- 116.127-176.161 147.104 -83.711
- 132.463-170.985 158.563 -90.420
- 111.614 -1.017 121.276 60.746
- 115.918 175.812 157.727-113.806
- 97.547 60.515 108.750 -85.466
- 96.753 96.936 143.366-125.437
- 116.677 0.000 143.154 -90.165
- # 81 total E -1.97376E+01 rmsd from N 0.000 %NC 0.00
- 92.106 113.193 137.843-103.396
- 125.473 105.170 146.251 -59.695
- 135.573 170.059 176.417 179.422
- 110.313 168.917 152.461 -80.820
- 142.641 109.535 164.887 150.565
- 96.344 83.362 126.829-128.197
- 94.290 -20.294 91.640 -96.437
- 106.044-122.749 144.835 -67.010
- 117.530 149.470 164.446 142.653
- 111.831 176.928 156.253 -10.151
- 130.737-116.944 152.948-162.790
- 107.973-168.309 101.445-104.272
- 128.137-106.238 153.572 -12.647
- 126.631-174.536 158.644-145.058
- 131.664-173.929 112.610 -88.637
- 126.657-106.883 154.245-108.722
- 123.427-104.444 150.159 -67.214
- 124.279-107.902 148.316 -50.102
- 130.781-118.611 119.679 161.064
- 117.600 -27.945 151.365 -19.844
- 97.237 177.880 0.000 0.000
- 130.065 174.727 169.294 174.698
- 126.517-112.611 144.337 -85.990
- 128.176-174.922 154.918 171.441
- 124.060 96.026 122.653 -80.118
- 94.213 114.065 150.021 154.433
- 94.490 2.153 134.366-131.974
- 99.556-102.574 145.998-130.123
- 129.234-160.119 157.313 -13.356
- 126.907 6.850 114.614-117.956
- 97.164 111.562 134.643-115.665
- 133.748 169.574 137.508-173.720
- 133.516-174.873 123.496 -79.763
- 132.560-167.624 150.724 -66.508
- 93.270 61.384 139.477-141.807
- 92.441 103.436 148.037 -34.997
- 92.986 58.117 133.163 -81.529
- 93.295 170.275 128.918 -75.614
- 134.773-117.930 136.687-122.850
- 123.186-100.553 143.390 -78.258
- 92.489 61.897 130.119 -72.878
- 95.498 97.084 120.229 -69.105
- 127.275 166.776 159.324-120.458
- 122.293 179.379 148.736-159.276
- 123.861-156.524 159.542-157.473
- 121.901 0.000 147.082 -82.524
- # 82 total E -1.87983E+01 rmsd from N 0.000 %NC 0.00
- 122.709-125.037 151.506-107.568
- 130.699-113.921 144.805 -49.169
- 126.792-172.846 144.743 -13.944
- 123.519-173.671 150.950 -77.357
- 142.622-164.782 176.413 141.126
- 121.526-108.513 144.281 160.916
- 93.448 42.876 101.809 -78.521
- 92.753 69.844 137.375 -93.441
- 90.945 70.322 139.101 -91.174
- 93.364 107.983 161.657 1.452
- 93.968 162.629 122.700-110.485
- 121.796 81.090 123.052-127.010
- 122.235-107.500 147.559-160.209
- 119.016-102.917 149.948 -24.605
- 114.750-105.488 153.370 -25.977
- 114.089 94.424 152.760 -57.796
- 115.888 104.813 145.419 10.989
- 121.001 165.907 147.401-126.130
- 131.465 176.265 119.273 174.648
- 124.970-179.201 156.712-159.702
- 136.360 -67.761 0.000 0.000
- 123.647 0.547 169.492 149.172
- 106.899-179.702 126.568 -76.350
- 93.350 58.384 130.948-166.080
- 104.664-106.191 114.247 -77.510
- 130.943 130.835 170.767 -1.852
- 93.615 -5.552 108.373-130.653
- 102.186-123.132 149.967 -29.502
- 140.957-166.810 116.037 -75.091
- 94.801 14.847 107.860 -96.497
- 123.147 171.088 144.746-109.194
- 136.208 174.242 120.708 49.159
- 96.563 -5.531 114.687 -75.127
- 101.780-118.943 128.610 -75.406
- 94.492 -8.393 144.094-141.414
- 118.378 178.080 159.515-165.252
- 121.928 177.777 156.101 -19.702
- 129.219-176.424 152.853 -86.178
- 136.155 -3.256 146.971-155.451
- 93.752 1.058 129.651 -76.291
- 130.824-177.700 152.105-110.138
- 114.981 2.461 127.744 -66.638
- 114.458-174.386 153.391-128.232
- 136.833-111.879 112.740 -87.716
- 125.474 -63.870 110.379 -79.025
- 92.114 0.000 129.481 -76.158
- # 83 total E -1.87538E+01 rmsd from N 0.000 %NC 0.00
- 92.048 59.170 137.890-103.799
- 128.713-178.285 143.604 -30.938
- 134.608-163.447 116.131 -74.775
- 121.237-173.605 150.508 -78.920
- 123.342 66.375 152.021-175.879
- 111.422 147.324 116.177 -42.310
- 94.488 22.261 114.832 -64.119
- 112.070-168.328 143.852 -94.707
- 125.234-178.741 156.457 -21.385
- 137.225-170.896 103.468 -84.508
- 105.474 158.179 148.405 -37.367
- 95.279 6.408 101.836-110.461
- 118.389-116.283 146.845-164.820
- 94.038 30.105 144.910 -39.463
- 96.654 80.031 143.052-146.047
- 120.828 119.897 156.107-154.142
- 131.288 111.804 160.286-120.509
- 93.670 93.202 137.173-101.979
- 124.648 143.265 125.785 -90.493
- 122.815-176.069 170.665-169.154
- 137.962 -49.176 0.000 0.000
- 125.141 -4.721 167.448 6.885
- 111.358-178.674 134.840 -86.383
- 127.286-172.321 148.473 173.423
- 122.182 75.529 120.863 -79.496
- 94.269 112.750 147.314-125.010
- 138.577-174.908 130.633-115.468
- 116.084-104.647 155.195 -22.585
- 127.017 -98.765 117.576 -76.088
- 119.094 -98.964 123.120-133.305
- 129.261-176.992 153.310 -98.228
- 134.168-178.547 130.372 -12.719
- 124.045-174.100 144.215 -44.915
- 132.149-106.358 143.097 -78.971
- 110.077-173.443 147.316 -19.877
- 125.632 179.509 145.901-169.212
- 93.951 11.091 148.706 -35.661
- 113.371 176.595 145.407 -71.927
- 94.699 18.823 106.500-130.088
- 121.098-178.098 148.410 -84.538
- 131.298-171.631 145.046-112.601
- 117.562 3.465 126.892 -65.520
- 95.400 177.453 148.407-122.516
- 121.516 -1.122 109.887 -86.760
- 124.941-148.391 109.281 -78.771
- 92.340 0.000 129.624 -76.206
- # 84 total E -1.86305E+01 rmsd from N 0.000 %NC 0.00
- 92.025 60.529 136.159 -96.659
- 133.247 179.322 124.657 -41.740
- 101.057 -3.821 147.217 -24.696
- 112.409 173.950 151.786 -97.543
- 119.930 -3.556 160.219 9.159
- 111.910-110.174 152.273 175.158
- 91.810 49.786 103.374 -77.628
- 93.413 68.142 142.711 -77.369
- 93.232 99.217 137.796 -55.821
- 131.580-118.038 143.876-168.213
- 117.435 81.541 158.998 -13.537
- 129.302-175.677 112.263-107.900
- 120.684 179.560 144.655-163.688
- 117.387 0.631 151.758-134.963
- 96.158 176.672 110.616 -85.578
- 98.881 3.921 117.817-135.997
- 111.963-177.736 155.005 -86.219
- 127.387 -0.366 150.537 -77.986
- 121.400 4.080 136.044-159.071
- 117.858-165.377 150.334 -19.699
- 127.398 -10.225 0.000 0.000
- 126.067 170.633 167.700 6.906
- 126.729 179.358 163.747-121.620
- 127.959-177.388 158.135-119.914
- 115.959 -0.128 120.529 -79.411
- 120.362-169.684 159.464-139.129
- 129.534-120.429 131.475-126.309
- 118.142 -7.581 116.277 -88.151
- 125.224-117.262 112.832 -75.210
- 122.707-168.809 123.417-130.857
- 132.499 178.951 153.880 -52.089
- 93.229 1.322 132.750 -86.636
- 117.172-170.139 123.216 -74.475
- 105.324 8.838 146.171 -82.352
- 106.451-172.189 146.150 -18.109
- 112.377 135.340 154.996 -26.650
- 93.831 66.916 142.202-121.023
- 116.108 177.681 143.855 -76.622
- 142.149 168.762 140.437-150.534
- 92.223 -4.798 129.534 -76.219
- 108.030-118.129 143.872 -97.450
- 140.724-168.485 156.042 -27.266
- 107.436 57.285 148.815 -33.786
- 107.597 144.292 144.690-145.868
- 96.273 47.937 140.245-143.072
- 91.912 0.000 129.373 -76.112
- # 85 total E -1.84616E+01 rmsd from N 0.000 %NC 0.00
- 122.682-128.243 151.279-106.206
- 131.855-176.480 134.400 -13.369
- 119.358 169.535 153.058-154.539
- 120.388 63.392 149.413 -95.251
- 116.586 171.844 164.596 4.828
- 138.168 170.190 159.320 5.888
- 113.472 176.819 128.821-167.523
- 128.781-112.925 159.450 -63.691
- 112.817 -97.126 164.632-144.043
- 104.992 -3.834 157.381-159.339
- 106.354-168.352 145.940 -36.293
- 111.073 1.996 131.742-147.037
- 112.434 66.501 109.614 -85.739
- 143.293-126.709 175.915-173.328
- 94.987 4.840 138.130-148.132
- 104.147 159.912 144.283 -86.898
- 139.953-119.796 131.427 -35.076
- 123.236-109.596 137.658 -43.651
- 122.641 -5.284 138.390 79.721
- 97.540 -50.155 145.401-139.648
- 142.472 84.539 0.000 0.000
- 121.792-173.060 171.184 13.447
- 132.940 3.562 169.042-165.984
- 93.780 45.007 130.553-136.778
- 110.380 176.317 110.767 -75.267
- 111.799 5.253 151.002-161.551
- 111.714 104.899 131.077-143.599
- 95.305 -8.386 152.730 -22.828
- 113.318-114.947 101.973 -75.565
- 111.100 -99.445 96.826 -94.882
- 126.505-173.753 125.300 -82.806
- 131.096-176.357 142.788-179.541
- 95.867 6.650 115.120 -75.447
- 120.432-179.553 147.036 -83.723
- 111.524 1.924 143.964-141.931
- 115.605-172.814 154.161 -24.628
- 119.203-105.094 154.517-127.060
- 130.176-103.355 153.082 -77.224
- 128.728-165.392 149.643 -26.134
- 92.384 59.241 129.445 -76.241
- 92.888 96.861 134.448 -88.103
- 94.676 63.623 124.266 -86.847
- 118.862 172.145 153.108-142.643
- 132.034-177.341 112.610 -87.796
- 123.516-158.186 160.139-156.544
- 121.924 0.000 147.009 -82.845
- # 86 total E -1.77813E+01 rmsd from N 0.000 %NC 0.00
- 92.041 59.393 137.703-103.336
- 133.319-164.637 128.289 8.309
- 112.902 -87.729 148.853-146.963
- 124.054-165.963 148.155 -79.515
- 122.380 67.351 150.507-171.552
- 125.702 176.688 95.057 -47.999
- 102.043 164.263 125.105 -69.705
- 111.838 -10.002 139.626 -87.832
- 94.134-132.409 135.954 -41.847
- 93.172 61.893 134.155-139.350
- 93.308 82.191 143.927 -35.899
- 95.332 75.981 94.946 -89.263
- 103.158 170.734 140.355-138.193
- 132.741 179.875 151.003-166.073
- 123.532 179.747 153.138-158.779
- 108.822 -0.776 151.212-154.029
- 111.458-172.017 152.104-103.033
- 122.288 2.123 149.816 -51.233
- 96.153 154.482 131.842-160.107
- 135.896-167.177 173.335 169.231
- 106.042 2.025 0.000 0.000
- 112.573 106.171 145.949 108.968
- 112.630 120.017 169.543-133.816
- 119.369 0.822 142.045 -96.936
- 115.670 172.336 120.991 -78.964
- 127.066-174.852 153.268-165.690
- 138.962 -6.218 146.216-139.040
- 97.761 2.772 145.127-134.438
- 131.244 89.483 115.562 -81.963
- 130.169 9.973 117.706-117.349
- 144.545 178.644 133.464 -82.073
- 104.291 -8.522 141.707-127.963
- 117.190 -7.112 141.111 -32.630
- 119.689-179.857 137.040 -83.686
- 117.113 3.630 107.064 -79.034
- 93.197 138.887 135.154 -92.844
- 121.551 58.104 150.320 165.506
- 93.114 138.691 129.454 -75.694
- 125.518-128.429 135.870 173.050
- 126.632 -9.783 148.391 -82.957
- 132.353 -10.230 142.450 116.100
- 123.551 -6.390 126.097 -65.428
- 136.250-175.757 176.428-164.475
- 104.246 -3.961 133.765-129.786
- 110.770-127.047 152.105-129.431
- 122.021 0.000 145.596 -83.756
- # 87 total E -1.73407E+01 rmsd from N 0.000 %NC 0.00
- 92.033 43.599 135.557-110.437
- 126.429-176.299 146.051 -26.309
- 94.057 68.312 142.246 -9.157
- 92.163 77.703 130.789 -77.543
- 95.539 94.298 161.347 12.011
- 136.640-103.487 92.945 -95.779
- 94.121 82.169 141.087 -17.715
- 96.206 20.457 137.038 -81.274
- 95.233-112.823 116.592 -69.736
- 107.007 168.882 152.191 148.586
- 124.720 -84.166 165.185 -15.527
- 107.394-168.306 90.505 -69.958
- 94.363 100.112 143.407-174.218
- 94.092 86.136 133.423-120.738
- 125.305-108.269 152.634-162.928
- 124.660 179.284 154.232-133.718
- 127.093 102.768 154.624-115.271
- 128.101 178.972 144.897 -44.889
- 128.125 -91.848 136.144 -66.515
- 96.043 -44.977 107.010 -81.169
- 116.881 -62.052 0.000 0.000
- 116.257 163.056 168.532 2.604
- 127.243-108.467 141.672 -98.821
- 127.622-102.792 156.098-159.990
- 131.125-163.577 124.008 -80.888
- 124.649-171.919 162.169 -12.814
- 117.447 -1.358 125.820-136.956
- 115.378-177.459 154.953-145.655
- 123.789 79.664 150.971 -18.290
- 124.399-175.789 122.291-128.198
- 135.392-175.522 127.717 -82.281
- 93.371 4.219 135.940-104.195
- 113.560 179.986 118.475 -76.977
- 135.825-175.548 147.840 -72.808
- 112.664-179.438 145.983 -20.884
- 126.358-110.280 146.307-150.641
- 126.559-166.093 165.791-144.490
- 128.858-102.791 152.145 -81.422
- 127.028-114.747 145.444-168.758
- 128.325 108.801 147.417 -83.373
- 134.948 178.844 154.452-119.079
- 113.938 1.998 127.585 -66.539
- 112.916 175.178 152.475-122.969
- 127.456 110.780 111.575 -87.959
- 96.263 53.262 105.949 -80.684
- 91.915 0.000 129.335 -76.134
- # 88 total E -1.61713E+01 rmsd from N 0.000 %NC 0.00
- 92.043 60.379 138.216-104.833
- 124.067 164.171 149.399 -89.769
- 119.420 57.719 148.818 -16.806
- 119.101 175.245 152.489 -78.969
- 131.796-175.685 157.595 170.438
- 116.810 4.953 159.875-175.015
- 97.886 179.482 90.705 -98.117
- 116.781 4.668 140.928 -84.609
- 110.638-176.564 145.472 -30.243
- 104.431 0.638 129.090-139.688
- 122.407-158.806 158.771 -11.264
- 105.754 -88.210 94.910 -78.003
- 95.421 69.839 144.523 -35.071
- 115.429 174.573 153.113-131.187
- 131.547-171.818 116.360 -90.736
- 126.897-105.448 151.489-141.246
- 126.909-104.651 154.624 -85.177
- 130.385-171.124 145.978 -56.065
- 132.052 178.709 127.549 -14.597
- 118.070 176.833 158.953-143.831
- 114.925 -4.535 0.000 0.000
- 121.210 175.113 166.857 5.606
- 125.837-176.638 165.851-150.752
- 121.222 4.498 156.772-112.689
- 117.527 1.920 120.361 -79.008
- 115.393-169.180 159.425-136.627
- 133.662-119.279 128.159-125.947
- 126.363 -12.720 106.089 -88.432
- 95.996 147.307 147.924-119.990
- 116.892 76.959 132.393-148.509
- 131.738-113.998 153.645 -84.461
- 131.379-104.301 145.013-160.362
- 131.467-168.971 122.634 -79.453
- 132.784-173.624 144.161 -63.683
- 112.828-179.920 153.800-131.441
- 93.797 1.442 136.675-163.043
- 107.003-176.110 152.431 -83.834
- 91.972 63.952 130.695 -76.938
- 92.266 95.074 99.596-110.963
- 92.692 64.777 128.406 -75.848
- 123.629 168.581 120.683-118.276
- 133.704-173.326 136.494 -60.025
- 124.058-176.729 154.639 -14.235
- 111.996 -2.030 110.283 -85.259
- 120.816-145.284 148.662 -19.925
- 122.698 0.000 148.610 -84.143
- # 89 total E -1.56890E+01 rmsd from N 0.000 %NC 0.00
- 123.250-132.037 147.700 -63.026
- 102.520 0.805 141.562-107.669
- 117.647-163.221 112.810 -72.959
- 123.312-168.774 149.471 -79.202
- 131.526-176.916 153.739-169.665
- 115.560 3.586 160.835-175.437
- 116.729 177.231 135.048 -69.441
- 118.795 2.985 167.472 -92.198
- 94.198-173.438 158.496-146.077
- 118.659 4.038 152.504 -1.082
- 111.046 165.355 141.708 -25.708
- 92.228 74.179 131.985-157.207
- 118.962 5.526 143.177-143.748
- 117.062 3.225 151.618 -26.434
- 103.070-118.641 151.637 -33.200
- 139.931-169.353 130.710 130.351
- 128.206 172.238 132.700 -69.743
- 132.449-104.931 140.174 123.597
- 131.563-176.179 128.692 150.044
- 127.395 177.133 152.015 -5.584
- 123.002-179.263 0.000 0.000
- 138.173-169.388 166.905 151.688
- 118.759-104.138 134.542 -84.717
- 92.011 54.988 132.288-150.502
- 94.888 104.809 109.822 -76.013
- 131.427-114.407 165.994 -10.384
- 118.476-108.659 120.100-108.403
- 126.725 177.596 166.600-166.707
- 95.435 77.166 141.864-118.760
- 124.341-176.444 123.105-130.943
- 135.819-176.019 129.317 -80.812
- 93.049 0.706 136.286-105.660
- 111.006-169.480 134.661 6.895
- 99.811 -74.872 129.366 -75.995
- 102.800-110.100 101.830 -79.421
- 92.045 65.241 151.406 163.382
- 91.538 73.793 147.449 -92.473
- 92.488 97.692 127.919 -75.595
- 145.797-179.640 146.784 -87.741
- 107.890 110.885 146.439 -83.842
- 128.976-113.533 123.735-112.774
- 112.417 -3.130 131.155 -66.868
- 118.839 173.601 153.846-125.614
- 122.807 113.714 112.212 -81.451
- 127.529-133.937 109.974 -79.027
- 121.908 0.000 147.390 -81.963
- # 90 total E -1.56426E+01 rmsd from N 0.000 %NC 0.00
- 92.080 121.343 133.388 -79.357
- 130.063 5.061 117.310 48.014
- 117.922 62.150 110.600 -79.497
- 119.270 102.061 156.853 -82.909
- 128.039-139.309 141.241-128.759
- 111.292 2.077 158.838 177.125
- 92.857 98.665 92.991 -91.887
- 126.942 0.547 170.799 173.602
- 94.191 -89.473 137.576 -93.884
- 95.232 128.401 131.152-124.708
- 92.756 76.982 129.073 -96.083
- 116.758-177.184 121.060-128.917
- 128.174-110.173 147.715-172.805
- 126.245 176.024 158.743-147.683
- 118.784 105.594 153.880 -21.069
- 124.979 108.166 151.835-128.395
- 129.341-177.796 153.402 -80.131
- 131.263-106.478 144.699 -40.909
- 127.319-177.372 123.614 -18.786
- 117.972 73.779 111.437 -82.125
- 112.481 -25.289 0.000 0.000
- 110.991 163.713 148.507-102.168
- 129.207 -4.386 141.375 -85.983
- 120.975 -0.963 142.549-133.201
- 95.397 113.366 117.908 -76.983
- 115.408 64.851 140.665-130.213
- 132.386 175.271 125.671-118.719
- 95.221 -2.454 114.060 -85.719
- 117.513-165.550 161.414-148.648
- 120.661 -97.516 126.073-136.025
- 132.447-170.549 123.907 -82.363
- 129.420-175.489 147.977 -27.255
- 93.845 61.584 115.064 -75.183
- 91.943 98.064 129.676 -76.292
- 94.454 57.820 105.236 -81.391
- 93.838 167.657 146.280-102.932
- 129.519-171.596 157.587-132.747
- 123.464 174.394 151.095 -81.200
- 129.298 98.581 139.973-164.784
- 129.954 170.498 148.170 -83.174
- 133.413-176.595 151.175-117.345
- 129.505-178.598 126.144 -66.060
- 107.020 1.456 150.560 -28.568
- 109.822-171.404 152.673 -27.315
- 127.724-162.265 152.178 -16.105
- 121.910 0.000 148.165 -82.397
- # 91 total E -1.55196E+01 rmsd from N 0.000 %NC 0.00
- 92.041 59.964 137.991-104.290
- 115.252 4.769 150.978 -68.388
- 119.831-173.525 147.834 -19.086
- 129.597-174.456 153.295 -79.713
- 127.830-178.859 153.815 178.020
- 129.375 -1.723 153.097 1.698
- 114.785 -2.165 151.218-150.395
- 125.138-176.337 168.761-124.208
- 94.187 15.577 145.095 -46.050
- 130.085-175.552 159.337-176.614
- 113.115 81.030 144.671 -90.700
- 129.346 179.923 113.141-109.440
- 111.722 -5.098 147.609 -20.232
- 115.074 171.086 151.170 -21.694
- 126.689 174.322 113.694 -89.279
- 132.744 178.748 149.712-145.884
- 130.670 174.151 154.443 -84.782
- 122.141 63.585 150.374 -71.474
- 123.287 173.970 119.262 -39.900
- 97.040 86.716 144.889-135.875
- 130.013 19.934 0.000 0.000
- 127.733-100.495 165.815 9.427
- 118.030-177.420 133.162 -83.692
- 93.576 0.813 129.051-135.706
- 124.631-176.842 150.224 -66.231
- 123.787-176.013 153.179 -14.981
- 121.239-178.630 124.001-114.262
- 95.270 -1.008 142.647-148.675
- 118.984-165.710 110.333 -78.376
- 120.491 -96.410 125.721-135.759
- 130.494-171.388 154.008 -56.846
- 93.285 2.744 135.547-101.936
- 115.407-179.555 119.080 -76.811
- 93.365 7.862 129.497 -75.934
- 115.574-169.886 146.876-152.738
- 126.228-168.820 151.378 -65.053
- 92.034 67.891 152.454-140.376
- 91.778 99.949 128.361 -75.263
- 93.543 62.929 94.960 -93.565
- 121.327 171.602 145.619 -86.454
- 132.536-162.629 147.496-119.251
- 130.022-104.254 129.229 -61.383
- 124.663-159.871 155.719 -11.399
- 96.020 16.667 150.280 -34.359
- 126.363-141.684 104.243 -77.531
- 122.655 0.000 146.513 -84.955
- # 92 total E -1.52952E+01 rmsd from N 0.000 %NC 0.00
- 92.106 115.059 137.619-103.065
- 128.926-118.209 140.534 -30.986
- 117.643-107.245 135.906 -34.233
- 93.730 -94.366 128.921 -76.042
- 125.451-113.371 154.741 177.156
- 115.977 -1.179 156.283 179.224
- 97.026 175.475 112.979 -62.191
- 141.018 178.197 136.575-104.502
- 112.776 179.702 150.368 -30.763
- 129.692-179.628 145.754-167.522
- 121.874-164.714 156.502 -14.894
- 105.420 -88.425 132.822-151.137
- 112.679-108.629 108.543 -82.925
- 129.042-121.731 152.991-158.073
- 95.439 106.726 139.233-146.404
- 124.536 104.357 140.278-127.590
- 129.766 179.072 148.934 -68.651
- 128.432-114.229 149.876 -89.471
- 131.030-175.423 126.828 158.293
- 124.257 177.007 146.627 -22.121
- 132.425 -12.748 0.000 0.000
- 124.403 0.123 170.810 158.178
- 94.862 97.813 132.508-102.374
- 92.133 42.249 119.349-119.876
- 111.390 176.777 115.000 -81.474
- 125.922-172.979 152.597-156.701
- 96.712 -1.011 131.684-132.364
- 116.210-178.428 155.636-146.057
- 123.185 79.073 150.749 -16.805
- 122.962-174.348 122.309-129.139
- 130.740-111.967 122.728 -82.036
- 132.472 179.981 133.350 -39.497
- 95.237 1.429 115.117 -75.391
- 122.176-171.358 147.034 -83.384
- 126.086-101.878 150.795 -13.683
- 123.120-109.801 147.124-106.429
- 126.547-167.369 163.285-149.846
- 130.010-103.927 152.406 -80.277
- 128.298-106.543 144.583 -32.145
- 131.392-163.418 148.224 -82.747
- 129.480-105.709 134.960-110.845
- 130.852-106.237 135.330 -60.825
- 123.693-173.285 154.649 -15.037
- 110.371 -1.629 152.747 -27.865
- 121.085-139.831 107.016 -78.158
- 122.274 0.000 147.410 -83.405
- # 93 total E -1.39460E+01 rmsd from N 0.000 %NC 0.00
- 122.724-128.850 151.025 -98.940
- 131.909-176.443 133.055 -13.803
- 118.777 179.913 150.512-156.458
- 115.773 1.000 147.419 -93.023
- 125.710-177.894 167.601 164.757
- 125.097 169.346 158.316 171.316
- 127.990 102.189 149.551-108.519
- 125.793 116.260 167.007-109.363
- 119.315 174.509 146.528 -27.860
- 114.777 176.648 145.623-128.706
- 125.355-167.735 150.271 -83.452
- 115.059-169.997 126.250-135.105
- 127.156-107.102 149.812-168.307
- 123.196-173.034 160.495 -9.768
- 115.211 4.439 154.594 -23.280
- 122.007-171.462 154.365-104.391
- 127.137 -98.528 155.611 -82.932
- 128.446-106.131 145.029-119.934
- 132.018-179.124 128.769 -8.368
- 119.902-177.723 141.446 -20.898
- 110.608 -14.295 0.000 0.000
- 124.138 153.245 175.049 164.759
- 112.044 64.284 165.221-110.044
- 93.166 101.804 132.632-161.982
- 116.386 -7.778 135.845-130.290
- 111.673 -5.388 152.478-131.423
- 115.972-104.586 131.378-132.105
- 128.941 175.500 152.370 -10.376
- 111.771 83.590 144.434 -31.420
- 126.730 9.555 117.980-121.538
- 135.648 172.165 151.015 -21.022
- 91.602 59.629 135.571-103.755
- 92.880 101.724 112.919 -71.823
- 92.665 74.484 128.957 -75.950
- 95.321 2.550 141.036-140.904
- 115.573-177.188 161.571-133.679
- 132.528-174.648 173.474-169.389
- 110.002 4.178 151.976 -83.739
- 101.483 179.806 122.455 -42.412
- 93.227 73.074 129.649 -76.588
- 118.461 117.689 110.909-115.839
- 133.524-179.614 127.142 -67.904
- 122.066 176.395 155.120 -18.037
- 127.287 178.460 152.945-166.745
- 96.334 90.401 106.449 -81.491
- 114.967 0.000 145.043 -83.571
- # 94 total E -1.38808E+01 rmsd from N 0.000 %NC 0.00
- 92.044 59.576 137.705-103.614
- 131.995-177.442 130.927 -10.949
- 117.600 175.594 150.179-158.723
- 93.022 6.658 130.348 -77.014
- 118.521-172.272 116.595 -91.732
- 142.249-156.953 151.054 1.161
- 114.537 -84.514 138.324 -34.457
- 106.919 169.926 142.970 -79.470
- 93.861 7.375 137.040 -97.576
- 112.967 103.640 89.883-100.813
- 121.948 -86.248 157.590-158.290
- 116.742-121.055 114.092-117.677
- 92.531 74.493 151.749 -54.237
- 92.166 73.729 154.655-136.709
- 94.397 111.172 108.595 -91.043
- 126.314-100.081 144.435-140.464
- 122.114-103.459 139.506 -60.481
- 122.800-111.535 150.393 -62.610
- 128.857-107.156 108.489 156.818
- 123.517-179.040 155.539-158.590
- 130.868-179.107 0.000 0.000
- 125.556 0.654 171.042 159.385
- 109.175 175.754 132.425 -87.872
- 130.795 174.875 150.941-171.121
- 131.977 175.709 153.223 -54.536
- 128.772-177.228 163.498-171.479
- 95.848 2.606 131.218-139.978
- 107.809-163.699 152.153 -23.963
- 141.536-101.891 116.264 -83.135
- 109.742-167.519 96.228-115.460
- 127.824-113.403 121.791 -81.345
- 134.464-176.577 131.522 35.168
- 95.073 8.583 115.036 -75.309
- 119.301-174.141 148.838 -77.817
- 119.849 -2.949 148.462-141.811
- 116.189 -4.943 162.220 -21.337
- 118.347-176.483 155.311 -99.359
- 130.108-103.804 152.050 -84.001
- 126.226-105.776 145.630 -33.017
- 130.857-107.523 148.395 -82.448
- 132.298-177.624 152.773-113.205
- 118.680 55.549 126.690 -70.403
- 117.480 174.672 158.661-140.787
- 136.732-114.839 112.870 -87.856
- 125.154-167.974 149.357 -18.662
- 121.897 0.000 148.305 -82.667
- # 95 total E -1.35579E+01 rmsd from N 0.000 %NC 0.00
- 92.040 59.683 137.706-103.557
- 131.720-179.704 131.949 -10.390
- 124.271 179.440 111.243 -80.049
- 129.481-166.652 152.193-100.922
- 127.781 -98.216 159.819 5.184
- 125.171-111.457 111.404 -40.578
- 127.036-122.145 136.092 -59.927
- 104.383 111.079 137.662 -83.170
- 93.975 -76.149 127.261 -69.837
- 95.500 131.612 138.834-121.425
- 93.811 -76.187 136.509 -99.977
- 117.074 -98.304 125.983-134.055
- 128.236-171.638 110.523 -82.322
- 124.167-173.012 153.261-119.957
- 129.169-102.385 112.123 -88.168
- 128.198-106.619 152.425-112.967
- 124.273-157.067 152.806 -72.884
- 134.017 176.640 149.190 -51.516
- 111.544 -6.323 129.187-172.116
- 97.571 -54.002 145.041-137.619
- 151.814-170.768 0.000 0.000
- 112.224 -15.600 133.333-106.254
- 122.318 -12.343 168.520-145.145
- 102.209 174.684 134.323-138.084
- 156.343-178.621 137.187 -92.529
- 116.739 -87.448 156.767 -19.751
- 126.913-116.250 126.795-100.424
- 95.046 65.558 151.222 -21.326
- 95.984 81.436 105.343 -81.144
- 95.888 84.419 96.528-104.618
- 131.153-178.580 123.398 -82.214
- 133.959-171.244 126.487 18.966
- 110.491 2.286 139.854 -49.071
- 100.407-178.822 129.354 -76.223
- 110.914 -1.146 146.140 -22.802
- 111.945-177.130 153.785 -22.687
- 92.971 68.121 156.203-150.741
- 92.734 99.936 128.951 -75.420
- 119.495 97.602 142.232 -70.830
- 100.512 170.151 130.124 -76.681
- 113.329 3.990 147.978 -83.809
- 113.986-176.215 105.219 -62.591
- 128.677-177.950 165.882-149.773
- 119.078 -1.492 148.735-159.379
- 97.240 119.962 146.855 -21.991
- 117.599 0.000 145.057 -85.743
- # 96 total E -1.33386E+01 rmsd from N 0.000 %NC 0.00
- 122.684-127.017 151.421-105.505
- 129.851-175.828 142.642 -28.144
- 127.823 176.412 149.148 -0.125
- 93.117 51.614 130.085 -76.682
- 125.227 173.715 176.341 159.278
- 125.812-119.404 151.980-165.630
- 144.404 159.060 141.547 -63.561
- 123.525 -9.825 175.128-162.074
- 106.037 -9.696 154.444-112.551
- 113.623 175.779 155.495-155.308
- 93.825 81.766 155.384 -34.061
- 107.706-175.477 90.910 -94.093
- 124.944-172.636 152.673 -16.300
- 126.006-177.042 161.203 -10.561
- 109.777 3.058 153.234 -25.174
- 115.763-174.602 164.612-174.684
- 97.045 9.757 117.540 -94.569
- 100.471-175.598 128.955 -43.686
- 119.164 43.955 108.347 29.832
- 94.919 50.829 150.016 -15.701
- 95.640 61.149 0.000 0.000
- 92.871 19.110 124.838-101.915
- 137.578-176.123 146.586 56.767
- 92.112 24.331 127.708-153.174
- 117.242-167.643 116.827 -77.474
- 124.784-172.442 169.069 3.982
- 134.681-176.540 117.781-116.490
- 94.789 -3.612 114.876 -87.149
- 116.426-165.607 111.062 -74.727
- 124.131 121.199 122.889-128.856
- 140.285 175.498 126.961 -84.703
- 121.317 -8.437 147.132-152.167
- 124.354 -8.386 120.789 -78.669
- 100.984 177.273 130.131 -76.648
- 142.780-177.238 116.431 -80.158
- 111.761-173.614 152.847 -26.822
- 115.293-101.860 152.162-147.683
- 129.510-103.679 151.137 -75.897
- 132.700-170.843 140.965 -24.507
- 128.313-177.829 148.663 -83.951
- 132.680-172.963 134.383-120.942
- 130.984-102.028 155.004 -48.854
- 120.061-100.292 157.787-126.183
- 120.633-110.703 152.534 -19.009
- 129.572-138.613 110.928 -78.751
- 121.726 0.000 147.053 -81.445
- # 97 total E -1.08413E+01 rmsd from N 0.000 %NC 0.00
- 92.042 53.844 138.464-106.330
- 93.574 9.011 135.844 -93.835
- 122.544-171.701 110.848 -79.999
- 128.170-104.795 150.561-100.598
- 134.182-119.425 150.584 -9.086
- 108.796 13.022 156.055-168.703
- 98.942 166.483 89.013 -85.622
- 131.776-175.226 137.686 -94.113
- 122.459-169.515 149.715 -86.487
- 119.533 -4.645 91.073 -86.612
- 93.404 80.103 145.814-106.142
- 120.751-165.815 116.746-120.951
- 122.908-108.805 109.413 -84.258
- 128.155-173.852 162.995 -10.102
- 121.319 178.961 154.878 -19.942
- 115.120 2.426 150.106-164.219
- 120.155-176.238 153.750 -73.335
- 131.640-177.661 148.903 -70.523
- 127.074-179.357 124.840 20.529
- 114.406 21.353 150.760 -22.863
- 123.058-174.517 0.000 0.000
- 132.990 -99.750 160.428 23.919
- 119.298 -3.652 122.670 -88.514
- 93.658 175.182 139.041 19.378
- 94.843 84.622 124.554-170.457
- 94.230 103.787 144.131 -41.960
- 133.622 -97.312 158.262-174.273
- 112.387-166.868 152.936-143.835
- 137.916 84.289 154.244 -13.354
- 125.433 85.840 121.606-126.339
- 100.693 -13.149 116.213 -77.428
- 142.293 -14.109 140.623 -52.781
- 131.326 -14.253 119.298 -75.923
- 118.289-109.114 162.673 -84.192
- 98.023 -8.163 105.360 -80.544
- 115.716 179.213 153.038-140.558
- 138.016-171.173 146.084 -94.509
- 124.758-170.875 144.425 -76.531
- 129.440-105.224 141.021-166.723
- 131.375-168.145 148.143 -82.831
- 132.329-175.364 148.461-122.507
- 120.309 1.663 132.657 -66.211
- 120.372-170.605 155.820-124.447
- 127.009-110.939 152.147-157.025
- 126.116-164.550 149.628 -18.379
- 121.799 0.000 148.105 -82.204
- # 98 total E -9.54731E+00 rmsd from N 0.000 %NC 0.00
- 92.043 54.073 138.231-104.686
- 93.689 102.331 135.772 -93.927
- 122.960 108.822 154.173-160.882
- 130.468 178.313 142.871 -83.116
- 123.072 8.712 113.153 -88.384
- 113.309 94.218 144.076-173.294
- 132.196 173.826 145.131 -65.610
- 124.484-176.709 163.206-100.718
- 112.831 -0.834 158.481 -26.008
- 116.794-173.831 151.787-154.918
- 118.398-113.372 155.949 -28.662
- 115.574 -89.103 132.711-143.953
- 95.169 168.420 107.419 -83.209
- 94.664 60.412 136.469-144.468
- 122.758 168.653 155.143 -19.723
- 131.826-174.896 151.194-131.703
- 131.218-171.783 152.204 -72.379
- 127.479-101.167 137.682 14.606
- 125.877-103.263 150.778 -43.906
- 125.040 -61.951 152.037 -17.699
- 139.079 -12.869 0.000 0.000
- 119.775 8.091 117.295 -86.893
- 109.452 140.269 138.632 -91.342
- 122.973 -99.290 134.769-119.762
- 120.407-116.594 143.611 -58.167
- 129.109-166.915 167.372 1.302
- 94.076 36.294 104.755-102.761
- 110.706-169.704 104.801 -79.442
- 115.091-172.236 156.194-143.569
- 107.820-115.702 96.793-138.204
- 121.649 -5.468 120.067 -80.273
- 93.844 61.820 130.094-101.191
- 114.747 61.733 115.888 -77.029
- 136.327-174.639 135.269 -38.610
- 118.420 -10.892 150.491-153.819
- 95.806 -5.587 147.585 -95.601
- 139.666-171.616 171.859-164.531
- 123.383 179.822 155.643 -86.058
- 119.730 6.051 138.476-167.778
- 94.546-176.640 129.855 -76.513
- 131.487-103.673 124.979-121.781
- 129.548 -97.135 135.110 -62.829
- 119.783-173.674 151.300 -21.259
- 126.216-178.284 153.156 -13.072
- 95.706 91.250 142.165-142.338
- 91.910 0.000 128.522 -75.667
- # 99 total E -8.95197E+00 rmsd from N 0.000 %NC 0.00
- 92.001 116.102 137.051-104.090
- 134.583-169.583 133.023 27.665
- 95.531 16.958 146.761 -23.969
- 112.758 172.963 154.144 -96.881
- 117.958 56.823 161.873 0.037
- 117.944-175.623 144.658-177.098
- 137.686-176.588 150.524 -59.780
- 129.734 94.479 179.982 138.441
- 110.107 115.810 164.495-167.185
- 116.558 0.100 152.142 -7.482
- 104.893-104.916 153.790 -40.811
- 115.674 79.578 126.037-133.027
- 102.394 162.191 148.988 -26.224
- 126.584-117.860 143.768-167.060
- 96.330 -4.701 139.308-144.274
- 106.853-171.584 153.046-104.746
- 136.634-111.512 143.019 -33.211
- 128.870 -98.882 135.643-124.907
- 117.133-170.860 140.512 -9.563
- 95.925 55.937 112.647 -84.871
- 116.287-175.673 0.000 0.000
- 119.789-163.900 144.923-111.315
- 116.489 3.017 162.662-130.610
- 94.443 176.261 111.212 -37.961
- 132.850-166.864 124.777 -82.225
- 123.444-103.878 151.969-160.388
- 131.844-107.086 144.344-125.311
- 124.441-177.085 163.020-151.958
- 122.740-169.120 159.949-153.292
- 124.955-173.912 120.890-125.645
- 132.968-177.898 123.277 -82.341
- 129.872-109.920 148.371-116.231
- 127.570-111.073 120.451 -78.785
- 130.244-169.380 149.995 -79.708
- 123.608-103.656 147.963-162.578
- 125.483-138.360 151.958-122.983
- 127.310-178.578 164.545-135.945
- 105.082 1.941 149.079 -81.983
- 112.875-172.396 148.243-164.196
- 131.426-172.477 150.180 -87.993
- 130.099-106.564 132.949-112.889
- 129.948-104.097 134.334 -61.739
- 120.960-175.592 155.014 -20.866
- 115.150 -1.681 153.354 -25.093
- 121.160 143.018 108.927 -78.469
- 92.114 0.000 129.487 -76.248
- # 100 total E -8.07332E+00 rmsd from N 0.000 %NC 0.00
- 92.042 60.383 137.884-103.897
- 130.775-116.329 144.050 -40.307
- 129.129-166.102 141.869 7.635
- 105.701 11.627 146.864 -88.289
- 128.891-175.073 171.542 158.388
- 120.607-176.910 148.268-155.983
- 129.157-107.308 144.620 -76.995
- 122.271-110.350 158.087 -59.622
- 123.934-105.968 171.609-155.243
- 131.418-176.208 158.165-174.721
- 115.961 79.836 158.996-108.994
- 127.512-177.462 116.142-114.539
- 130.865 176.144 109.047 -86.620
- 114.484 2.519 152.567 -24.146
- 115.551-173.159 155.066 -25.144
- 132.877-177.089 152.519-163.484
- 128.689-177.394 155.103-119.397
- 115.832 -0.165 150.737 -69.759
- 120.372-169.531 140.051 -69.900
- 117.503 -3.055 151.095-144.148
- 96.860 144.761 0.000 0.000
- 135.745-177.034 163.064 144.925
- 125.039-108.717 136.415 -78.850
- 120.626 -95.070 148.143 177.548
- 95.056 63.785 117.294 -77.187
- 120.968 174.938 159.120-136.892
- 130.459-107.414 128.397-120.711
- 126.902-174.109 153.415 -21.346
- 128.353-164.299 109.509 -74.001
- 116.587 7.593 124.645-136.329
- 120.049 112.459 149.471-103.715
- 94.221 105.407 125.873-108.197
- 126.330-118.741 119.084 -75.934
- 93.484 -9.872 129.746 -76.252
- 119.581 11.116 110.946 -83.369
- 144.101-164.291 176.462-173.679
- 119.294-103.815 168.529-155.468
- 91.890 49.408 129.799 -75.846
- 91.481 77.941 92.768 -97.835
- 93.110 65.539 125.679 -97.426
- 124.458 162.005 126.003-121.319
- 134.017-174.352 129.285 -57.689
- 125.876-175.333 152.265 -79.067
- 109.013 -0.966 151.839 -26.051
- 116.598 146.338 108.049 -78.381
- 92.112 0.000 129.472 -76.409
projects / unres.git / blobdiff