NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11437 | 1rij | 6088 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 6.933 -7.822 -2.821 2 HA ALA 1 HA ALA 1 5.630 -7.930 -4.807 3 1HB ALA 1 1HB ALA 1 4.217 -10.090 -3.295 4 2HB ALA 1 2HB ALA 1 4.875 -10.134 -4.930 5 3HB ALA 1 3HB ALA 1 3.421 -9.196 -4.589 6 H LEU 2 H LEU 2 3.615 -8.517 -1.988 7 HA LEU 2 HA LEU 2 2.279 -6.000 -2.274 8 1HB LEU 2 1HB LEU 2 0.919 -6.666 -0.440 9 2HB LEU 2 2HB LEU 2 1.182 -8.079 -1.443 10 HG LEU 2 HG LEU 2 3.214 -8.278 0.409 11 1HD1 LEU 2 1HD1 LEU 2 1.677 -8.121 2.549 12 2HD1 LEU 2 2HD1 LEU 2 0.895 -6.855 1.602 13 3HD1 LEU 2 3HD1 LEU 2 2.613 -6.739 1.980 14 1HD2 LEU 2 1HD2 LEU 2 2.013 -10.160 1.236 15 2HD2 LEU 2 2HD2 LEU 2 1.658 -10.027 -0.487 16 3HD2 LEU 2 3HD2 LEU 2 0.473 -9.489 0.703 17 H GLN 3 H GLN 3 4.914 -7.210 -0.313 18 HA GLN 3 HA GLN 3 4.926 -5.243 1.695 19 1HB GLN 3 1HB GLN 3 6.278 -7.455 1.496 20 2HB GLN 3 2HB GLN 3 7.451 -6.474 0.629 21 1HG GLN 3 1HG GLN 3 6.460 -5.634 3.322 22 2HG GLN 3 2HG GLN 3 7.733 -6.844 3.166 23 1HE2 GLN 3 1HE2 GLN 3 9.559 -6.165 1.666 24 2HE2 GLN 3 2HE2 GLN 3 10.116 -4.535 1.828 25 H GLU 4 H GLU 4 6.587 -5.372 -1.452 26 HA GLU 4 HA GLU 4 7.972 -2.931 -1.193 27 1HB GLU 4 1HB GLU 4 7.134 -4.595 -3.552 28 2HB GLU 4 2HB GLU 4 7.916 -3.039 -3.785 29 1HG GLU 4 1HG GLU 4 9.111 -5.225 -2.109 30 2HG GLU 4 2HG GLU 4 9.409 -5.068 -3.839 31 H LEU 5 H LEU 5 4.785 -3.710 -2.544 32 HA LEU 5 HA LEU 5 4.213 -1.064 -3.428 33 1HB LEU 5 1HB LEU 5 3.134 -3.298 -4.146 34 2HB LEU 5 2HB LEU 5 2.125 -3.107 -2.725 35 HG LEU 5 HG LEU 5 2.298 -0.906 -4.755 36 1HD1 LEU 5 1HD1 LEU 5 1.776 -2.921 -6.020 37 2HD1 LEU 5 2HD1 LEU 5 0.372 -1.859 -5.910 38 3HD1 LEU 5 3HD1 LEU 5 0.470 -3.299 -4.896 39 1HD2 LEU 5 1HD2 LEU 5 -0.283 -1.227 -3.722 40 2HD2 LEU 5 2HD2 LEU 5 0.888 0.027 -3.315 41 3HD2 LEU 5 3HD2 LEU 5 0.810 -1.450 -2.355 42 H LEU 6 H LEU 6 3.850 -2.744 -0.388 43 HA LEU 6 HA LEU 6 1.900 -1.308 0.921 44 1HB LEU 6 1HB LEU 6 3.848 -3.141 1.598 45 2HB LEU 6 2HB LEU 6 4.211 -1.772 2.615 46 HG LEU 6 HG LEU 6 2.754 -3.462 3.703 47 1HD1 LEU 6 1HD1 LEU 6 2.665 -1.303 4.627 48 2HD1 LEU 6 2HD1 LEU 6 0.984 -1.798 4.423 49 3HD1 LEU 6 3HD1 LEU 6 1.719 -0.675 3.278 50 1HD2 LEU 6 1HD2 LEU 6 0.463 -3.728 3.028 51 2HD2 LEU 6 2HD2 LEU 6 1.509 -4.109 1.660 52 3HD2 LEU 6 3HD2 LEU 6 0.669 -2.561 1.723 53 H GLY 7 H GLY 7 5.375 -0.498 0.719 54 1HA GLY 7 1HA GLY 7 5.259 1.836 2.277 55 2HA GLY 7 2HA GLY 7 6.466 1.493 1.056 56 H GLN 8 H GLN 8 4.594 1.277 -1.127 57 HA GLN 8 HA GLN 8 4.372 4.084 -1.779 58 1HB GLN 8 1HB GLN 8 4.845 2.087 -3.386 59 2HB GLN 8 2HB GLN 8 3.101 1.866 -3.370 60 1HG GLN 8 1HG GLN 8 3.623 3.156 -5.278 61 2HG GLN 8 2HG GLN 8 2.878 4.245 -4.110 62 1HE2 GLN 8 1HE2 GLN 8 4.087 5.882 -3.202 63 2HE2 GLN 8 2HE2 GLN 8 5.666 6.307 -3.766 64 H TRP 9 H TRP 9 2.246 1.431 -0.989 65 HA TRP 9 HA TRP 9 -0.255 2.673 -1.261 66 1HB TRP 9 1HB TRP 9 0.103 0.249 -1.105 67 2HB TRP 9 2HB TRP 9 0.682 0.430 0.539 68 HD1 TRP 9 HD1 TRP 9 -2.551 1.588 -1.244 69 HE1 TRP 9 HE1 TRP 9 -4.547 0.923 0.255 70 HE3 TRP 9 HE3 TRP 9 0.021 -0.651 2.524 71 HZ2 TRP 9 HZ2 TRP 9 -4.942 -0.384 2.742 72 HZ3 TRP 9 HZ3 TRP 9 -1.219 -1.573 4.435 73 HH2 TRP 9 HH2 TRP 9 -3.652 -1.429 4.536 74 H LEU 10 H LEU 10 1.990 2.324 1.436 75 HA LEU 10 HA LEU 10 0.361 3.579 3.399 76 1HB LEU 10 1HB LEU 10 2.521 2.074 3.591 77 2HB LEU 10 2HB LEU 10 3.339 3.623 3.587 78 HG LEU 10 HG LEU 10 1.084 3.344 5.486 79 1HD1 LEU 10 1HD1 LEU 10 2.148 1.162 5.700 80 2HD1 LEU 10 2HD1 LEU 10 2.453 2.157 7.123 81 3HD1 LEU 10 3HD1 LEU 10 3.717 1.938 5.913 82 1HD2 LEU 10 1HD2 LEU 10 2.247 5.395 5.526 83 2HD2 LEU 10 2HD2 LEU 10 3.818 4.595 5.492 84 3HD2 LEU 10 3HD2 LEU 10 2.812 4.502 6.937 85 H LYS 11 H LYS 11 2.695 4.783 1.062 86 HA LYS 11 HA LYS 11 3.150 7.334 2.117 87 1HB LYS 11 1HB LYS 11 3.799 5.937 -0.249 88 2HB LYS 11 2HB LYS 11 3.024 7.431 -0.758 89 1HG LYS 11 1HG LYS 11 4.634 8.606 0.834 90 2HG LYS 11 2HG LYS 11 5.514 7.077 0.873 91 1HD LYS 11 1HD LYS 11 6.580 8.265 -0.822 92 2HD LYS 11 2HD LYS 11 5.454 7.228 -1.700 93 1HE LYS 11 1HE LYS 11 4.091 8.974 -2.288 94 2HE LYS 11 2HE LYS 11 4.531 9.934 -0.878 95 1HZ LYS 11 1HZ LYS 11 6.268 9.445 -3.239 96 2HZ LYS 11 2HZ LYS 11 6.675 10.384 -1.891 97 3HZ LYS 11 3HZ LYS 11 5.424 10.877 -2.916 98 H ASP 12 H ASP 12 0.440 6.034 0.321 99 HA ASP 12 HA ASP 12 -0.780 8.683 0.081 100 1HB ASP 12 1HB ASP 12 -0.676 6.869 -1.792 101 2HB ASP 12 2HB ASP 12 -2.026 6.142 -0.928 102 H GLY 13 H GLY 13 -0.493 7.112 2.666 103 1HA GLY 13 1HA GLY 13 -1.812 7.229 4.586 104 2HA GLY 13 2HA GLY 13 -3.212 7.559 3.581 105 H GLY 14 H GLY 14 -1.146 4.830 2.892 106 1HA GLY 14 1HA GLY 14 -1.634 2.599 2.736 107 2HA GLY 14 2HA GLY 14 -2.101 2.801 4.416 108 HA PRO 15 HA PRO 15 -5.958 0.977 2.987 109 1HB PRO 15 1HB PRO 15 -6.687 2.062 5.665 110 2HB PRO 15 2HB PRO 15 -7.039 0.487 4.965 111 1HG PRO 15 1HG PRO 15 -5.119 0.732 6.766 112 2HG PRO 15 2HG PRO 15 -4.859 -0.285 5.334 113 1HD PRO 15 1HD PRO 15 -3.828 2.460 5.916 114 2HD PRO 15 2HD PRO 15 -3.023 1.111 5.098 115 H SER 16 H SER 16 -5.626 4.215 4.374 116 HA SER 16 HA SER 16 -8.196 5.003 3.298 117 1HB SER 16 1HB SER 16 -6.121 6.572 4.848 118 2HB SER 16 2HB SER 16 -7.692 7.204 4.357 119 HG SER 16 HG SER 16 -7.061 5.294 6.301 120 H SER 17 H SER 17 -5.932 4.272 1.475 121 HA SER 17 HA SER 17 -5.317 6.808 0.164 122 1HB SER 17 1HB SER 17 -3.739 5.549 -1.171 123 2HB SER 17 2HB SER 17 -3.524 5.104 0.521 124 HG SER 17 HG SER 17 -4.530 3.182 0.143 125 H GLY 18 H GLY 18 -7.977 5.054 0.137 126 1HA GLY 18 1HA GLY 18 -9.737 5.042 -1.366 127 2HA GLY 18 2HA GLY 18 -8.685 5.794 -2.556 128 H ARG 19 H ARG 19 -7.464 2.962 -1.040 129 HA ARG 19 HA ARG 19 -8.554 1.074 -2.908 130 1HB ARG 19 1HB ARG 19 -6.220 0.494 -3.795 131 2HB ARG 19 2HB ARG 19 -7.002 1.922 -4.458 132 1HG ARG 19 1HG ARG 19 -5.676 3.342 -2.977 133 2HG ARG 19 2HG ARG 19 -4.893 1.911 -2.305 134 1HD ARG 19 1HD ARG 19 -3.351 2.577 -3.880 135 2HD ARG 19 2HD ARG 19 -4.305 1.416 -4.801 136 HE ARG 19 HE ARG 19 -5.545 3.762 -5.312 137 1HH1 ARG 19 1HH1 ARG 19 -2.202 2.746 -5.539 138 2HH1 ARG 19 2HH1 ARG 19 -1.831 3.836 -6.831 139 1HH2 ARG 19 1HH2 ARG 19 -5.052 5.196 -7.012 140 2HH2 ARG 19 2HH2 ARG 19 -3.449 5.228 -7.668 141 HA PRO 20 HA PRO 20 -7.581 -1.588 0.500 142 1HB PRO 20 1HB PRO 20 -7.434 -3.801 -1.442 143 2HB PRO 20 2HB PRO 20 -8.544 -3.566 -0.090 144 1HG PRO 20 1HG PRO 20 -9.358 -3.315 -2.632 145 2HG PRO 20 2HG PRO 20 -10.006 -2.286 -1.341 146 1HD PRO 20 1HD PRO 20 -7.930 -1.654 -3.406 147 2HD PRO 20 2HD PRO 20 -9.266 -0.647 -2.807 148 HA PRO 21 HA PRO 21 -3.241 -2.370 0.760 149 1HB PRO 21 1HB PRO 21 -3.822 -5.105 1.748 150 2HB PRO 21 2HB PRO 21 -2.907 -3.803 2.513 151 1HG PRO 21 1HG PRO 21 -5.353 -4.469 3.364 152 2HG PRO 21 2HG PRO 21 -4.803 -2.786 3.355 153 1HD PRO 21 1HD PRO 21 -6.660 -4.183 1.487 154 2HD PRO 21 2HD PRO 21 -6.709 -2.515 2.089 155 HA PRO 22 HA PRO 22 -2.023 -4.546 -2.902 156 1HB PRO 22 1HB PRO 22 0.574 -5.132 -2.241 157 2HB PRO 22 2HB PRO 22 0.029 -3.553 -2.812 158 1HG PRO 22 1HG PRO 22 0.528 -4.487 -0.014 159 2HG PRO 22 2HG PRO 22 0.946 -2.938 -0.770 160 1HD PRO 22 1HD PRO 22 -1.178 -3.184 0.855 161 2HD PRO 22 2HD PRO 22 -1.207 -2.110 -0.559 162 H SER 23 H SER 23 -1.674 -6.009 0.245 163 HA SER 23 HA SER 23 -0.860 -8.586 -0.518 164 1HB SER 23 1HB SER 23 -1.947 -9.283 1.677 165 2HB SER 23 2HB SER 23 -0.719 -8.024 1.793 166 HG SER 23 HG SER 23 -3.501 -7.836 2.084 Start of MODEL 2 1 H ALA 1 H ALA 1 3.185 -6.267 -6.534 2 HA ALA 1 HA ALA 1 5.474 -7.237 -4.959 3 1HB ALA 1 1HB ALA 1 5.763 -4.800 -4.467 4 2HB ALA 1 2HB ALA 1 4.583 -4.465 -5.735 5 3HB ALA 1 3HB ALA 1 6.107 -5.260 -6.134 6 H LEU 2 H LEU 2 5.054 -7.603 -2.883 7 HA LEU 2 HA LEU 2 2.413 -6.869 -1.840 8 1HB LEU 2 1HB LEU 2 3.650 -9.263 -1.794 9 2HB LEU 2 2HB LEU 2 4.211 -8.616 -0.264 10 HG LEU 2 HG LEU 2 1.287 -8.663 -0.962 11 1HD1 LEU 2 1HD1 LEU 2 2.115 -10.946 -1.192 12 2HD1 LEU 2 2HD1 LEU 2 1.100 -10.775 0.240 13 3HD1 LEU 2 3HD1 LEU 2 2.855 -10.844 0.406 14 1HD2 LEU 2 1HD2 LEU 2 2.907 -8.361 1.545 15 2HD2 LEU 2 2HD2 LEU 2 1.211 -8.843 1.594 16 3HD2 LEU 2 3HD2 LEU 2 1.667 -7.291 0.891 17 H GLN 3 H GLN 3 5.803 -6.993 -0.712 18 HA GLN 3 HA GLN 3 5.265 -5.230 1.495 19 1HB GLN 3 1HB GLN 3 7.850 -6.315 0.367 20 2HB GLN 3 2HB GLN 3 7.750 -5.323 1.815 21 1HG GLN 3 1HG GLN 3 7.346 -7.112 3.040 22 2HG GLN 3 2HG GLN 3 5.913 -7.474 2.080 23 1HE2 GLN 3 1HE2 GLN 3 6.038 -8.989 0.434 24 2HE2 GLN 3 2HE2 GLN 3 7.381 -10.066 0.263 25 H GLU 4 H GLU 4 7.028 -4.953 -1.585 26 HA GLU 4 HA GLU 4 7.906 -2.311 -1.274 27 1HB GLU 4 1HB GLU 4 7.298 -3.929 -3.746 28 2HB GLU 4 2HB GLU 4 7.990 -2.315 -3.812 29 1HG GLU 4 1HG GLU 4 9.955 -3.034 -2.662 30 2HG GLU 4 2HG GLU 4 9.244 -4.613 -2.332 31 H LEU 5 H LEU 5 4.925 -3.588 -2.734 32 HA LEU 5 HA LEU 5 3.899 -1.088 -3.562 33 1HB LEU 5 1HB LEU 5 3.170 -3.595 -4.067 34 2HB LEU 5 2HB LEU 5 2.032 -3.266 -2.775 35 HG LEU 5 HG LEU 5 2.289 -1.598 -5.279 36 1HD1 LEU 5 1HD1 LEU 5 1.458 -4.038 -5.480 37 2HD1 LEU 5 2HD1 LEU 5 0.513 -2.744 -6.218 38 3HD1 LEU 5 3HD1 LEU 5 0.008 -3.436 -4.676 39 1HD2 LEU 5 1HD2 LEU 5 1.180 -0.120 -4.019 40 2HD2 LEU 5 2HD2 LEU 5 0.809 -1.315 -2.776 41 3HD2 LEU 5 3HD2 LEU 5 -0.203 -1.196 -4.217 42 H LEU 6 H LEU 6 3.667 -2.882 -0.534 43 HA LEU 6 HA LEU 6 1.625 -1.468 0.727 44 1HB LEU 6 1HB LEU 6 3.108 -3.516 1.431 45 2HB LEU 6 2HB LEU 6 4.013 -2.303 2.296 46 HG LEU 6 HG LEU 6 2.431 -3.349 3.789 47 1HD1 LEU 6 1HD1 LEU 6 1.415 -1.437 4.709 48 2HD1 LEU 6 2HD1 LEU 6 1.306 -0.640 3.140 49 3HD1 LEU 6 3HD1 LEU 6 2.878 -0.862 3.909 50 1HD2 LEU 6 1HD2 LEU 6 0.828 -4.103 2.087 51 2HD2 LEU 6 2HD2 LEU 6 0.274 -2.441 1.891 52 3HD2 LEU 6 3HD2 LEU 6 0.040 -3.273 3.429 53 H GLY 7 H GLY 7 5.131 -0.814 0.727 54 1HA GLY 7 1HA GLY 7 5.023 1.472 2.373 55 2HA GLY 7 2HA GLY 7 6.293 1.105 1.225 56 H GLN 8 H GLN 8 4.369 0.979 -1.012 57 HA GLN 8 HA GLN 8 4.387 3.800 -1.679 58 1HB GLN 8 1HB GLN 8 4.588 1.548 -3.192 59 2HB GLN 8 2HB GLN 8 2.882 1.913 -3.401 60 1HG GLN 8 1HG GLN 8 4.004 2.953 -5.185 61 2HG GLN 8 2HG GLN 8 3.577 4.240 -4.058 62 1HE2 GLN 8 1HE2 GLN 8 5.186 5.325 -2.956 63 2HE2 GLN 8 2HE2 GLN 8 6.862 5.163 -3.350 64 H TRP 9 H TRP 9 2.097 1.298 -0.879 65 HA TRP 9 HA TRP 9 -0.309 2.731 -1.203 66 1HB TRP 9 1HB TRP 9 -0.119 0.270 -1.094 67 2HB TRP 9 2HB TRP 9 0.366 0.390 0.588 68 HD1 TRP 9 HD1 TRP 9 -2.630 1.932 -1.318 69 HE1 TRP 9 HE1 TRP 9 -4.768 1.387 0.022 70 HE3 TRP 9 HE3 TRP 9 -0.529 -0.793 2.424 71 HZ2 TRP 9 HZ2 TRP 9 -5.443 -0.018 2.390 72 HZ3 TRP 9 HZ3 TRP 9 -1.972 -1.698 4.200 73 HH2 TRP 9 HH2 TRP 9 -4.379 -1.307 4.175 74 H LEU 10 H LEU 10 1.863 2.151 1.515 75 HA LEU 10 HA LEU 10 0.298 3.470 3.486 76 1HB LEU 10 1HB LEU 10 2.438 1.856 3.602 77 2HB LEU 10 2HB LEU 10 3.248 3.399 3.780 78 HG LEU 10 HG LEU 10 1.608 3.870 5.681 79 1HD1 LEU 10 1HD1 LEU 10 1.204 0.892 5.434 80 2HD1 LEU 10 2HD1 LEU 10 -0.015 2.135 5.153 81 3HD1 LEU 10 3HD1 LEU 10 0.650 1.901 6.769 82 1HD2 LEU 10 1HD2 LEU 10 2.962 2.627 7.285 83 2HD2 LEU 10 2HD2 LEU 10 3.968 3.342 6.025 84 3HD2 LEU 10 3HD2 LEU 10 3.593 1.619 5.983 85 H LYS 11 H LYS 11 2.679 4.564 1.161 86 HA LYS 11 HA LYS 11 3.311 7.065 2.258 87 1HB LYS 11 1HB LYS 11 4.528 6.035 0.372 88 2HB LYS 11 2HB LYS 11 3.126 6.278 -0.659 89 1HG LYS 11 1HG LYS 11 3.454 8.790 0.080 90 2HG LYS 11 2HG LYS 11 5.109 8.243 0.347 91 1HD LYS 11 1HD LYS 11 5.023 9.065 -1.876 92 2HD LYS 11 2HD LYS 11 5.051 7.305 -1.995 93 1HE LYS 11 1HE LYS 11 2.344 8.303 -1.811 94 2HE LYS 11 2HE LYS 11 3.207 9.046 -3.157 95 1HZ LYS 11 1HZ LYS 11 3.751 6.860 -3.994 96 2HZ LYS 11 2HZ LYS 11 2.076 6.995 -3.800 97 3HZ LYS 11 3HZ LYS 11 2.987 6.121 -2.676 98 H ASP 12 H ASP 12 0.549 5.952 0.406 99 HA ASP 12 HA ASP 12 -0.555 8.657 0.262 100 1HB ASP 12 1HB ASP 12 -0.526 6.839 -1.652 101 2HB ASP 12 2HB ASP 12 -1.962 6.247 -0.827 102 H GLY 13 H GLY 13 -0.329 7.308 2.838 103 1HA GLY 13 1HA GLY 13 -1.609 7.214 4.747 104 2HA GLY 13 2HA GLY 13 -2.981 7.760 3.798 105 H GLY 14 H GLY 14 -1.110 4.878 3.044 106 1HA GLY 14 1HA GLY 14 -1.783 2.712 2.733 107 2HA GLY 14 2HA GLY 14 -2.371 2.881 4.378 108 HA PRO 15 HA PRO 15 -6.234 1.507 2.516 109 1HB PRO 15 1HB PRO 15 -7.115 2.437 5.206 110 2HB PRO 15 2HB PRO 15 -7.490 0.940 4.363 111 1HG PRO 15 1HG PRO 15 -5.729 0.958 6.343 112 2HG PRO 15 2HG PRO 15 -5.427 -0.008 4.888 113 1HD PRO 15 1HD PRO 15 -4.231 2.604 5.705 114 2HD PRO 15 2HD PRO 15 -3.478 1.240 4.865 115 H SER 16 H SER 16 -5.897 4.528 4.359 116 HA SER 16 HA SER 16 -8.270 5.731 3.558 117 1HB SER 16 1HB SER 16 -5.645 7.098 4.203 118 2HB SER 16 2HB SER 16 -7.235 7.863 4.203 119 HG SER 16 HG SER 16 -6.420 7.126 6.299 120 H SER 17 H SER 17 -5.321 5.263 1.783 121 HA SER 17 HA SER 17 -5.303 7.276 -0.081 122 1HB SER 17 1HB SER 17 -4.099 5.797 -1.536 123 2HB SER 17 2HB SER 17 -3.652 5.377 0.116 124 HG SER 17 HG SER 17 -5.043 3.610 0.001 125 H GLY 18 H GLY 18 -7.308 4.351 -0.098 126 1HA GLY 18 1HA GLY 18 -9.627 5.000 -1.041 127 2HA GLY 18 2HA GLY 18 -8.701 5.328 -2.499 128 H ARG 19 H ARG 19 -6.861 3.138 -2.178 129 HA ARG 19 HA ARG 19 -8.644 0.942 -2.959 130 1HB ARG 19 1HB ARG 19 -6.670 -0.009 -4.087 131 2HB ARG 19 2HB ARG 19 -7.033 1.614 -4.659 132 1HG ARG 19 1HG ARG 19 -5.257 2.495 -3.188 133 2HG ARG 19 2HG ARG 19 -4.866 0.841 -2.715 134 1HD ARG 19 1HD ARG 19 -3.326 1.298 -4.394 135 2HD ARG 19 2HD ARG 19 -4.594 0.411 -5.237 136 HE ARG 19 HE ARG 19 -5.277 3.051 -5.510 137 1HH1 ARG 19 1HH1 ARG 19 -2.467 1.126 -6.321 138 2HH1 ARG 19 2HH1 ARG 19 -2.042 2.101 -7.686 139 1HH2 ARG 19 1HH2 ARG 19 -4.714 4.330 -7.309 140 2HH2 ARG 19 2HH2 ARG 19 -3.318 3.920 -8.248 141 HA PRO 20 HA PRO 20 -7.574 -1.511 0.555 142 1HB PRO 20 1HB PRO 20 -7.463 -3.917 -1.118 143 2HB PRO 20 2HB PRO 20 -8.629 -3.478 0.132 144 1HG PRO 20 1HG PRO 20 -9.280 -3.522 -2.483 145 2HG PRO 20 2HG PRO 20 -9.996 -2.364 -1.347 146 1HD PRO 20 1HD PRO 20 -7.785 -1.953 -3.329 147 2HD PRO 20 2HD PRO 20 -9.154 -0.891 -2.932 148 HA PRO 21 HA PRO 21 -3.274 -2.493 0.823 149 1HB PRO 21 1HB PRO 21 -3.219 -4.950 2.048 150 2HB PRO 21 2HB PRO 21 -3.519 -3.429 2.895 151 1HG PRO 21 1HG PRO 21 -5.474 -5.469 1.912 152 2HG PRO 21 2HG PRO 21 -5.459 -4.579 3.447 153 1HD PRO 21 1HD PRO 21 -7.078 -3.873 1.424 154 2HD PRO 21 2HD PRO 21 -6.334 -2.660 2.489 155 HA PRO 22 HA PRO 22 -2.144 -5.019 -2.644 156 1HB PRO 22 1HB PRO 22 0.565 -5.268 -1.585 157 2HB PRO 22 2HB PRO 22 -0.007 -4.338 -2.970 158 1HG PRO 22 1HG PRO 22 0.876 -3.178 -0.685 159 2HG PRO 22 2HG PRO 22 -0.362 -2.447 -1.722 160 1HD PRO 22 1HD PRO 22 -0.694 -3.986 0.828 161 2HD PRO 22 2HD PRO 22 -1.522 -2.510 0.286 162 H SER 23 H SER 23 -3.507 -6.750 -1.552 163 HA SER 23 HA SER 23 -3.847 -8.931 -1.045 164 1HB SER 23 1HB SER 23 -0.945 -9.237 -1.865 165 2HB SER 23 2HB SER 23 -2.082 -10.564 -1.631 166 HG SER 23 HG SER 23 -1.933 -8.681 -3.684 Start of MODEL 3 1 H ALA 1 H ALA 1 4.443 -6.775 -5.820 2 HA ALA 1 HA ALA 1 5.144 -8.444 -4.275 3 1HB ALA 1 1HB ALA 1 7.572 -7.722 -4.406 4 2HB ALA 1 2HB ALA 1 6.962 -8.154 -2.809 5 3HB ALA 1 3HB ALA 1 7.152 -6.458 -3.250 6 H LEU 2 H LEU 2 4.307 -8.430 -2.138 7 HA LEU 2 HA LEU 2 2.337 -6.452 -1.666 8 1HB LEU 2 1HB LEU 2 2.179 -8.832 -0.953 9 2HB LEU 2 2HB LEU 2 3.402 -8.518 0.262 10 HG LEU 2 HG LEU 2 1.035 -6.750 0.350 11 1HD1 LEU 2 1HD1 LEU 2 0.811 -9.600 1.290 12 2HD1 LEU 2 2HD1 LEU 2 0.099 -9.005 -0.209 13 3HD1 LEU 2 3HD1 LEU 2 -0.427 -8.344 1.339 14 1HD2 LEU 2 1HD2 LEU 2 2.577 -8.290 2.435 15 2HD2 LEU 2 2HD2 LEU 2 1.315 -7.101 2.754 16 3HD2 LEU 2 3HD2 LEU 2 2.827 -6.601 1.996 17 H GLN 3 H GLN 3 5.449 -7.143 -0.086 18 HA GLN 3 HA GLN 3 5.264 -5.111 1.869 19 1HB GLN 3 1HB GLN 3 6.816 -7.068 1.958 20 2HB GLN 3 2HB GLN 3 7.778 -6.311 0.697 21 1HG GLN 3 1HG GLN 3 8.128 -4.371 2.202 22 2HG GLN 3 2HG GLN 3 7.282 -5.256 3.471 23 1HE2 GLN 3 1HE2 GLN 3 10.087 -5.337 1.335 24 2HE2 GLN 3 2HE2 GLN 3 11.071 -6.315 2.369 25 H GLU 4 H GLU 4 6.831 -5.185 -1.326 26 HA GLU 4 HA GLU 4 7.947 -2.601 -1.203 27 1HB GLU 4 1HB GLU 4 7.319 -4.521 -3.406 28 2HB GLU 4 2HB GLU 4 7.748 -2.867 -3.822 29 1HG GLU 4 1HG GLU 4 9.691 -4.317 -3.893 30 2HG GLU 4 2HG GLU 4 9.859 -3.099 -2.630 31 H LEU 5 H LEU 5 4.867 -3.753 -2.570 32 HA LEU 5 HA LEU 5 4.015 -1.222 -3.511 33 1HB LEU 5 1HB LEU 5 3.138 -3.551 -4.135 34 2HB LEU 5 2HB LEU 5 2.168 -3.444 -2.679 35 HG LEU 5 HG LEU 5 2.018 -1.272 -4.740 36 1HD1 LEU 5 1HD1 LEU 5 0.429 -3.833 -4.800 37 2HD1 LEU 5 2HD1 LEU 5 1.705 -3.396 -5.936 38 3HD1 LEU 5 3HD1 LEU 5 0.224 -2.443 -5.864 39 1HD2 LEU 5 1HD2 LEU 5 0.478 -0.493 -3.348 40 2HD2 LEU 5 2HD2 LEU 5 0.742 -1.863 -2.269 41 3HD2 LEU 5 3HD2 LEU 5 -0.462 -1.971 -3.554 42 H LEU 6 H LEU 6 3.762 -2.828 -0.400 43 HA LEU 6 HA LEU 6 1.739 -1.340 0.803 44 1HB LEU 6 1HB LEU 6 3.419 -3.305 1.583 45 2HB LEU 6 2HB LEU 6 4.049 -1.969 2.510 46 HG LEU 6 HG LEU 6 2.449 -3.260 3.818 47 1HD1 LEU 6 1HD1 LEU 6 2.621 -0.877 4.258 48 2HD1 LEU 6 2HD1 LEU 6 0.968 -1.438 4.502 49 3HD1 LEU 6 3HD1 LEU 6 1.389 -0.548 3.040 50 1HD2 LEU 6 1HD2 LEU 6 0.105 -3.380 3.210 51 2HD2 LEU 6 2HD2 LEU 6 1.103 -4.115 1.954 52 3HD2 LEU 6 3HD2 LEU 6 0.427 -2.503 1.714 53 H GLY 7 H GLY 7 5.241 -0.670 0.675 54 1HA GLY 7 1HA GLY 7 5.183 1.680 2.221 55 2HA GLY 7 2HA GLY 7 6.400 1.281 1.027 56 H GLN 8 H GLN 8 4.431 1.071 -1.136 57 HA GLN 8 HA GLN 8 4.357 3.877 -1.868 58 1HB GLN 8 1HB GLN 8 3.847 1.286 -3.226 59 2HB GLN 8 2HB GLN 8 2.933 2.660 -3.829 60 1HG GLN 8 1HG GLN 8 4.954 2.380 -5.108 61 2HG GLN 8 2HG GLN 8 5.024 3.883 -4.190 62 1HE2 GLN 8 1HE2 GLN 8 6.535 4.118 -2.575 63 2HE2 GLN 8 2HE2 GLN 8 7.815 2.985 -2.311 64 H TRP 9 H TRP 9 2.147 1.329 -0.979 65 HA TRP 9 HA TRP 9 -0.306 2.685 -1.289 66 1HB TRP 9 1HB TRP 9 -0.019 0.229 -1.099 67 2HB TRP 9 2HB TRP 9 0.461 0.431 0.577 68 HD1 TRP 9 HD1 TRP 9 -2.585 1.826 -1.365 69 HE1 TRP 9 HE1 TRP 9 -4.702 1.250 -0.004 70 HE3 TRP 9 HE3 TRP 9 -0.394 -0.751 2.429 71 HZ2 TRP 9 HZ2 TRP 9 -5.329 -0.120 2.395 72 HZ3 TRP 9 HZ3 TRP 9 -1.804 -1.655 4.230 73 HH2 TRP 9 HH2 TRP 9 -4.223 -1.336 4.207 74 H LEU 10 H LEU 10 1.965 2.295 1.370 75 HA LEU 10 HA LEU 10 0.397 3.622 3.343 76 1HB LEU 10 1HB LEU 10 2.474 2.028 3.558 77 2HB LEU 10 2HB LEU 10 3.381 3.526 3.478 78 HG LEU 10 HG LEU 10 1.723 4.253 5.403 79 1HD1 LEU 10 1HD1 LEU 10 0.384 2.195 5.275 80 2HD1 LEU 10 2HD1 LEU 10 1.124 2.414 6.860 81 3HD1 LEU 10 3HD1 LEU 10 1.808 1.255 5.719 82 1HD2 LEU 10 1HD2 LEU 10 4.133 4.170 5.623 83 2HD2 LEU 10 2HD2 LEU 10 4.082 2.415 5.796 84 3HD2 LEU 10 3HD2 LEU 10 3.374 3.445 7.040 85 H LYS 11 H LYS 11 2.817 4.686 1.015 86 HA LYS 11 HA LYS 11 3.403 7.221 1.983 87 1HB LYS 11 1HB LYS 11 4.159 5.833 -0.195 88 2HB LYS 11 2HB LYS 11 3.033 6.950 -0.953 89 1HG LYS 11 1HG LYS 11 4.287 8.833 -0.237 90 2HG LYS 11 2HG LYS 11 5.291 7.840 0.821 91 1HD LYS 11 1HD LYS 11 6.433 6.872 -0.976 92 2HD LYS 11 2HD LYS 11 5.193 7.351 -2.138 93 1HE LYS 11 1HE LYS 11 5.932 9.773 -1.265 94 2HE LYS 11 2HE LYS 11 7.443 8.903 -1.003 95 1HZ LYS 11 1HZ LYS 11 7.397 8.217 -3.330 96 2HZ LYS 11 2HZ LYS 11 7.390 9.903 -3.191 97 3HZ LYS 11 3HZ LYS 11 5.962 9.081 -3.573 98 H ASP 12 H ASP 12 0.695 6.167 -0.054 99 HA ASP 12 HA ASP 12 -0.441 8.778 -0.317 100 1HB ASP 12 1HB ASP 12 -0.778 6.744 -1.858 101 2HB ASP 12 2HB ASP 12 -1.944 6.184 -0.667 102 H GLY 13 H GLY 13 -0.970 6.017 1.823 103 1HA GLY 13 1HA GLY 13 -1.596 6.992 4.146 104 2HA GLY 13 2HA GLY 13 -3.034 7.517 3.285 105 H GLY 14 H GLY 14 -1.253 4.456 3.001 106 1HA GLY 14 1HA GLY 14 -2.029 2.301 2.978 107 2HA GLY 14 2HA GLY 14 -2.585 2.747 4.581 108 HA PRO 15 HA PRO 15 -6.440 1.142 2.806 109 1HB PRO 15 1HB PRO 15 -7.248 2.090 5.511 110 2HB PRO 15 2HB PRO 15 -7.624 0.575 4.700 111 1HG PRO 15 1HG PRO 15 -5.796 0.657 6.624 112 2HG PRO 15 2HG PRO 15 -5.529 -0.333 5.176 113 1HD PRO 15 1HD PRO 15 -4.334 2.307 5.908 114 2HD PRO 15 2HD PRO 15 -3.604 0.938 5.053 115 H SER 16 H SER 16 -6.131 4.165 4.657 116 HA SER 16 HA SER 16 -8.537 5.304 3.739 117 1HB SER 16 1HB SER 16 -7.090 5.988 5.761 118 2HB SER 16 2HB SER 16 -6.157 6.935 4.603 119 HG SER 16 HG SER 16 -7.761 8.309 4.417 120 H SER 17 H SER 17 -5.400 5.056 2.269 121 HA SER 17 HA SER 17 -5.172 7.200 0.606 122 1HB SER 17 1HB SER 17 -3.852 5.853 -0.847 123 2HB SER 17 2HB SER 17 -3.631 5.185 0.768 124 HG SER 17 HG SER 17 -4.150 3.734 -1.150 125 H GLY 18 H GLY 18 -7.246 4.366 0.075 126 1HA GLY 18 1HA GLY 18 -9.426 5.352 -1.032 127 2HA GLY 18 2HA GLY 18 -8.313 5.556 -2.377 128 H ARG 19 H ARG 19 -6.800 3.194 -2.013 129 HA ARG 19 HA ARG 19 -8.809 1.156 -2.712 130 1HB ARG 19 1HB ARG 19 -7.060 0.120 -4.106 131 2HB ARG 19 2HB ARG 19 -7.421 1.763 -4.613 132 1HG ARG 19 1HG ARG 19 -5.348 2.489 -4.172 133 2HG ARG 19 2HG ARG 19 -5.228 1.551 -2.682 134 1HD ARG 19 1HD ARG 19 -3.597 0.794 -4.333 135 2HD ARG 19 2HD ARG 19 -4.776 -0.466 -3.977 136 HE ARG 19 HE ARG 19 -5.502 -0.365 -6.146 137 1HH1 ARG 19 1HH1 ARG 19 -3.526 2.456 -5.501 138 2HH1 ARG 19 2HH1 ARG 19 -3.488 2.959 -7.156 139 1HH2 ARG 19 1HH2 ARG 19 -5.448 0.305 -8.324 140 2HH2 ARG 19 2HH2 ARG 19 -4.580 1.739 -8.759 141 HA PRO 20 HA PRO 20 -7.406 -1.487 0.530 142 1HB PRO 20 1HB PRO 20 -7.375 -3.805 -1.277 143 2HB PRO 20 2HB PRO 20 -8.429 -3.473 0.100 144 1HG PRO 20 1HG PRO 20 -9.331 -3.392 -2.433 145 2HG PRO 20 2HG PRO 20 -9.955 -2.309 -1.175 146 1HD PRO 20 1HD PRO 20 -7.959 -1.749 -3.339 147 2HD PRO 20 2HD PRO 20 -9.298 -0.739 -2.752 148 HA PRO 21 HA PRO 21 -3.069 -2.308 0.435 149 1HB PRO 21 1HB PRO 21 -2.872 -4.821 1.552 150 2HB PRO 21 2HB PRO 21 -3.078 -3.329 2.471 151 1HG PRO 21 1HG PRO 21 -5.120 -5.353 1.657 152 2HG PRO 21 2HG PRO 21 -4.961 -4.473 3.189 153 1HD PRO 21 1HD PRO 21 -6.774 -3.770 1.336 154 2HD PRO 21 2HD PRO 21 -5.944 -2.558 2.337 155 HA PRO 22 HA PRO 22 -1.792 -4.535 -3.144 156 1HB PRO 22 1HB PRO 22 0.547 -5.720 -2.237 157 2HB PRO 22 2HB PRO 22 0.407 -4.061 -2.822 158 1HG PRO 22 1HG PRO 22 0.420 -5.087 -0.018 159 2HG PRO 22 2HG PRO 22 1.182 -3.631 -0.685 160 1HD PRO 22 1HD PRO 22 -1.090 -3.488 0.722 161 2HD PRO 22 2HD PRO 22 -0.811 -2.441 -0.682 162 H SER 23 H SER 23 -3.526 -6.022 -3.114 163 HA SER 23 HA SER 23 -2.670 -8.761 -2.753 164 1HB SER 23 1HB SER 23 -3.763 -7.868 -0.556 165 2HB SER 23 2HB SER 23 -5.275 -8.029 -1.449 166 HG SER 23 HG SER 23 -5.071 -10.162 -1.451 Start of MODEL 4 1 H ALA 1 H ALA 1 3.995 -8.990 -5.125 2 HA ALA 1 HA ALA 1 5.833 -8.556 -3.692 3 1HB ALA 1 1HB ALA 1 5.991 -5.904 -5.122 4 2HB ALA 1 2HB ALA 1 7.153 -7.222 -5.269 5 3HB ALA 1 3HB ALA 1 6.948 -6.395 -3.725 6 H LEU 2 H LEU 2 4.911 -8.251 -1.777 7 HA LEU 2 HA LEU 2 2.528 -6.569 -1.593 8 1HB LEU 2 1HB LEU 2 3.306 -9.031 -0.445 9 2HB LEU 2 2HB LEU 2 3.196 -7.880 0.872 10 HG LEU 2 HG LEU 2 0.875 -7.349 -0.418 11 1HD1 LEU 2 1HD1 LEU 2 -0.168 -9.446 -1.061 12 2HD1 LEU 2 2HD1 LEU 2 1.339 -10.309 -0.754 13 3HD1 LEU 2 3HD1 LEU 2 1.248 -9.127 -2.061 14 1HD2 LEU 2 1HD2 LEU 2 1.339 -9.486 1.659 15 2HD2 LEU 2 2HD2 LEU 2 -0.207 -8.711 1.307 16 3HD2 LEU 2 3HD2 LEU 2 1.127 -7.762 1.965 17 H GLN 3 H GLN 3 5.633 -7.030 0.096 18 HA GLN 3 HA GLN 3 5.339 -4.893 1.905 19 1HB GLN 3 1HB GLN 3 7.122 -6.880 1.688 20 2HB GLN 3 2HB GLN 3 8.068 -5.596 0.949 21 1HG GLN 3 1HG GLN 3 6.762 -5.295 3.636 22 2HG GLN 3 2HG GLN 3 8.377 -5.970 3.431 23 1HE2 GLN 3 1HE2 GLN 3 6.562 -3.156 3.787 24 2HE2 GLN 3 2HE2 GLN 3 7.808 -2.007 3.436 25 H GLU 4 H GLU 4 6.941 -5.055 -1.272 26 HA GLU 4 HA GLU 4 7.912 -2.425 -1.325 27 1HB GLU 4 1HB GLU 4 7.134 -4.314 -3.545 28 2HB GLU 4 2HB GLU 4 7.854 -2.739 -3.847 29 1HG GLU 4 1HG GLU 4 9.839 -3.384 -2.607 30 2HG GLU 4 2HG GLU 4 9.116 -4.947 -2.235 31 H LEU 5 H LEU 5 4.831 -3.773 -2.481 32 HA LEU 5 HA LEU 5 3.822 -1.327 -3.509 33 1HB LEU 5 1HB LEU 5 3.016 -3.984 -3.501 34 2HB LEU 5 2HB LEU 5 1.755 -3.131 -2.630 35 HG LEU 5 HG LEU 5 1.388 -3.358 -5.093 36 1HD1 LEU 5 1HD1 LEU 5 0.214 -1.686 -3.767 37 2HD1 LEU 5 2HD1 LEU 5 0.568 -1.086 -5.387 38 3HD1 LEU 5 3HD1 LEU 5 1.544 -0.556 -4.018 39 1HD2 LEU 5 1HD2 LEU 5 2.638 -2.163 -6.658 40 2HD2 LEU 5 2HD2 LEU 5 3.848 -2.891 -5.601 41 3HD2 LEU 5 3HD2 LEU 5 3.422 -1.189 -5.415 42 H LEU 6 H LEU 6 3.770 -2.817 -0.339 43 HA LEU 6 HA LEU 6 1.724 -1.320 0.868 44 1HB LEU 6 1HB LEU 6 3.725 -3.161 1.649 45 2HB LEU 6 2HB LEU 6 3.799 -1.813 2.753 46 HG LEU 6 HG LEU 6 2.347 -3.762 3.457 47 1HD1 LEU 6 1HD1 LEU 6 0.418 -2.185 4.104 48 2HD1 LEU 6 2HD1 LEU 6 1.379 -0.934 3.315 49 3HD1 LEU 6 3HD1 LEU 6 2.042 -1.822 4.687 50 1HD2 LEU 6 1HD2 LEU 6 1.366 -4.056 1.148 51 2HD2 LEU 6 2HD2 LEU 6 0.380 -2.634 1.484 52 3HD2 LEU 6 3HD2 LEU 6 0.218 -4.076 2.486 53 H GLY 7 H GLY 7 5.218 -0.687 0.593 54 1HA GLY 7 1HA GLY 7 5.258 1.659 2.160 55 2HA GLY 7 2HA GLY 7 6.430 1.236 0.926 56 H GLN 8 H GLN 8 4.573 1.096 -1.246 57 HA GLN 8 HA GLN 8 4.455 3.896 -1.934 58 1HB GLN 8 1HB GLN 8 4.930 2.206 -3.653 59 2HB GLN 8 2HB GLN 8 3.364 1.459 -3.370 60 1HG GLN 8 1HG GLN 8 3.322 2.798 -5.382 61 2HG GLN 8 2HG GLN 8 2.250 3.481 -4.162 62 1HE2 GLN 8 1HE2 GLN 8 2.542 5.541 -3.528 63 2HE2 GLN 8 2HE2 GLN 8 3.838 6.558 -4.057 64 H TRP 9 H TRP 9 2.224 1.352 -1.081 65 HA TRP 9 HA TRP 9 -0.224 2.706 -1.357 66 1HB TRP 9 1HB TRP 9 0.091 0.255 -1.155 67 2HB TRP 9 2HB TRP 9 0.563 0.472 0.520 68 HD1 TRP 9 HD1 TRP 9 -2.500 1.872 -1.396 69 HE1 TRP 9 HE1 TRP 9 -4.607 1.234 -0.051 70 HE3 TRP 9 HE3 TRP 9 -0.269 -0.793 2.311 71 HZ2 TRP 9 HZ2 TRP 9 -5.214 -0.214 2.314 72 HZ3 TRP 9 HZ3 TRP 9 -1.663 -1.766 4.088 73 HH2 TRP 9 HH2 TRP 9 -4.085 -1.472 4.084 74 H LEU 10 H LEU 10 2.069 2.364 1.285 75 HA LEU 10 HA LEU 10 0.517 3.657 3.280 76 1HB LEU 10 1HB LEU 10 2.449 2.132 3.703 77 2HB LEU 10 2HB LEU 10 3.520 3.403 3.146 78 HG LEU 10 HG LEU 10 2.585 4.851 5.005 79 1HD1 LEU 10 1HD1 LEU 10 0.549 3.632 5.459 80 2HD1 LEU 10 2HD1 LEU 10 1.569 3.642 6.898 81 3HD1 LEU 10 3HD1 LEU 10 1.472 2.194 5.896 82 1HD2 LEU 10 1HD2 LEU 10 4.036 2.329 5.800 83 2HD2 LEU 10 2HD2 LEU 10 4.014 3.850 6.694 84 3HD2 LEU 10 3HD2 LEU 10 4.783 3.769 5.109 85 H LYS 11 H LYS 11 2.866 4.810 0.907 86 HA LYS 11 HA LYS 11 3.368 7.365 1.853 87 1HB LYS 11 1HB LYS 11 4.274 6.116 -0.248 88 2HB LYS 11 2HB LYS 11 2.924 6.878 -1.078 89 1HG LYS 11 1HG LYS 11 3.766 9.082 -0.320 90 2HG LYS 11 2HG LYS 11 5.173 8.265 0.365 91 1HD LYS 11 1HD LYS 11 4.452 7.833 -2.505 92 2HD LYS 11 2HD LYS 11 5.299 9.305 -2.026 93 1HE LYS 11 1HE LYS 11 7.164 8.093 -2.287 94 2HE LYS 11 2HE LYS 11 6.739 7.377 -0.734 95 1HZ LYS 11 1HZ LYS 11 6.180 6.291 -3.436 96 2HZ LYS 11 2HZ LYS 11 5.481 5.666 -2.026 97 3HZ LYS 11 3HZ LYS 11 7.159 5.616 -2.232 98 H ASP 12 H ASP 12 0.641 6.206 -0.091 99 HA ASP 12 HA ASP 12 -0.602 8.776 -0.306 100 1HB ASP 12 1HB ASP 12 -0.888 6.738 -1.857 101 2HB ASP 12 2HB ASP 12 -2.008 6.129 -0.648 102 H GLY 13 H GLY 13 -0.976 5.957 1.794 103 1HA GLY 13 1HA GLY 13 -1.560 6.844 4.154 104 2HA GLY 13 2HA GLY 13 -3.030 7.373 3.353 105 H GLY 14 H GLY 14 -1.214 4.351 2.919 106 1HA GLY 14 1HA GLY 14 -1.970 2.190 2.841 107 2HA GLY 14 2HA GLY 14 -2.462 2.571 4.481 108 HA PRO 15 HA PRO 15 -6.375 0.979 2.846 109 1HB PRO 15 1HB PRO 15 -7.087 1.882 5.593 110 2HB PRO 15 2HB PRO 15 -7.484 0.376 4.774 111 1HG PRO 15 1HG PRO 15 -5.583 0.433 6.621 112 2HG PRO 15 2HG PRO 15 -5.358 -0.516 5.138 113 1HD PRO 15 1HD PRO 15 -4.182 2.130 5.885 114 2HD PRO 15 2HD PRO 15 -3.453 0.789 4.989 115 H SER 16 H SER 16 -6.050 3.997 4.719 116 HA SER 16 HA SER 16 -8.510 5.071 3.793 117 1HB SER 16 1HB SER 16 -7.953 7.042 4.993 118 2HB SER 16 2HB SER 16 -7.282 5.708 5.931 119 HG SER 16 HG SER 16 -5.996 7.726 4.534 120 H SER 17 H SER 17 -5.435 4.830 2.317 121 HA SER 17 HA SER 17 -5.172 7.137 0.818 122 1HB SER 17 1HB SER 17 -3.763 5.908 -0.640 123 2HB SER 17 2HB SER 17 -3.590 5.135 0.934 124 HG SER 17 HG SER 17 -4.926 3.485 0.243 125 H GLY 18 H GLY 18 -7.266 4.357 0.236 126 1HA GLY 18 1HA GLY 18 -9.414 5.172 -0.908 127 2HA GLY 18 2HA GLY 18 -8.314 5.653 -2.194 128 H ARG 19 H ARG 19 -6.551 3.430 -2.014 129 HA ARG 19 HA ARG 19 -8.222 1.399 -3.296 130 1HB ARG 19 1HB ARG 19 -6.191 0.566 -4.289 131 2HB ARG 19 2HB ARG 19 -6.233 2.310 -4.497 132 1HG ARG 19 1HG ARG 19 -4.638 2.622 -2.736 133 2HG ARG 19 2HG ARG 19 -4.696 0.909 -2.319 134 1HD ARG 19 1HD ARG 19 -3.787 1.970 -4.989 135 2HD ARG 19 2HD ARG 19 -2.699 1.593 -3.657 136 HE ARG 19 HE ARG 19 -3.141 -0.689 -3.955 137 1HH1 ARG 19 1HH1 ARG 19 -4.903 1.265 -6.274 138 2HH1 ARG 19 2HH1 ARG 19 -5.240 -0.071 -7.321 139 1HH2 ARG 19 1HH2 ARG 19 -3.592 -2.437 -5.343 140 2HH2 ARG 19 2HH2 ARG 19 -4.499 -2.169 -6.794 141 HA PRO 20 HA PRO 20 -7.795 -1.470 0.040 142 1HB PRO 20 1HB PRO 20 -7.810 -3.845 -1.258 143 2HB PRO 20 2HB PRO 20 -9.251 -2.831 -1.120 144 1HG PRO 20 1HG PRO 20 -7.353 -3.122 -3.415 145 2HG PRO 20 2HG PRO 20 -9.124 -3.037 -3.430 146 1HD PRO 20 1HD PRO 20 -7.532 -0.910 -4.012 147 2HD PRO 20 2HD PRO 20 -9.139 -0.743 -3.278 148 HA PRO 21 HA PRO 21 -3.579 -2.503 0.851 149 1HB PRO 21 1HB PRO 21 -4.549 -5.175 1.731 150 2HB PRO 21 2HB PRO 21 -3.549 -3.998 2.590 151 1HG PRO 21 1HG PRO 21 -6.125 -4.339 3.209 152 2HG PRO 21 2HG PRO 21 -5.369 -2.738 3.254 153 1HD PRO 21 1HD PRO 21 -7.243 -3.892 1.250 154 2HD PRO 21 2HD PRO 21 -7.072 -2.216 1.805 155 HA PRO 22 HA PRO 22 -2.125 -4.379 -2.915 156 1HB PRO 22 1HB PRO 22 0.127 -5.065 -1.061 157 2HB PRO 22 2HB PRO 22 0.183 -4.399 -2.699 158 1HG PRO 22 1HG PRO 22 0.530 -2.824 -0.584 159 2HG PRO 22 2HG PRO 22 -0.388 -2.266 -1.995 160 1HD PRO 22 1HD PRO 22 -1.357 -3.063 0.694 161 2HD PRO 22 2HD PRO 22 -2.060 -1.930 -0.473 162 H SER 23 H SER 23 -3.594 -6.081 -3.050 163 HA SER 23 HA SER 23 -3.252 -8.489 -1.514 164 1HB SER 23 1HB SER 23 -5.026 -9.383 -3.099 165 2HB SER 23 2HB SER 23 -5.493 -7.976 -2.145 166 HG SER 23 HG SER 23 -5.684 -6.856 -3.917 Start of MODEL 5 1 H ALA 1 H ALA 1 4.042 -8.310 -5.702 2 HA ALA 1 HA ALA 1 5.677 -8.480 -3.989 3 1HB ALA 1 1HB ALA 1 7.452 -7.218 -5.097 4 2HB ALA 1 2HB ALA 1 7.128 -6.585 -3.484 5 3HB ALA 1 3HB ALA 1 6.521 -5.732 -4.903 6 H LEU 2 H LEU 2 4.395 -8.380 -2.276 7 HA LEU 2 HA LEU 2 2.281 -6.434 -2.091 8 1HB LEU 2 1HB LEU 2 3.111 -8.431 0.010 9 2HB LEU 2 2HB LEU 2 1.561 -7.628 -0.138 10 HG LEU 2 HG LEU 2 2.678 -9.823 -1.870 11 1HD1 LEU 2 1HD1 LEU 2 0.124 -9.601 -0.287 12 2HD1 LEU 2 2HD1 LEU 2 1.572 -10.465 0.227 13 3HD1 LEU 2 3HD1 LEU 2 0.680 -11.007 -1.195 14 1HD2 LEU 2 1HD2 LEU 2 0.146 -9.350 -2.806 15 2HD2 LEU 2 2HD2 LEU 2 1.641 -8.861 -3.603 16 3HD2 LEU 2 3HD2 LEU 2 0.777 -7.720 -2.573 17 H GLN 3 H GLN 3 5.192 -7.192 -0.180 18 HA GLN 3 HA GLN 3 4.873 -5.099 1.692 19 1HB GLN 3 1HB GLN 3 6.394 -7.175 1.823 20 2HB GLN 3 2HB GLN 3 7.542 -6.232 0.883 21 1HG GLN 3 1HG GLN 3 7.013 -4.462 2.817 22 2HG GLN 3 2HG GLN 3 6.713 -5.958 3.702 23 1HE2 GLN 3 1HE2 GLN 3 8.406 -7.226 4.298 24 2HE2 GLN 3 2HE2 GLN 3 10.063 -6.817 4.014 25 H GLU 4 H GLU 4 6.563 -5.287 -1.413 26 HA GLU 4 HA GLU 4 7.886 -2.807 -1.278 27 1HB GLU 4 1HB GLU 4 8.087 -4.801 -2.981 28 2HB GLU 4 2HB GLU 4 6.887 -3.887 -3.885 29 1HG GLU 4 1HG GLU 4 8.393 -1.945 -3.882 30 2HG GLU 4 2HG GLU 4 9.602 -2.907 -3.033 31 H LEU 5 H LEU 5 4.693 -3.703 -2.557 32 HA LEU 5 HA LEU 5 4.036 -1.089 -3.473 33 1HB LEU 5 1HB LEU 5 2.967 -3.561 -3.845 34 2HB LEU 5 2HB LEU 5 1.816 -2.875 -2.715 35 HG LEU 5 HG LEU 5 2.587 -1.650 -5.366 36 1HD1 LEU 5 1HD1 LEU 5 1.237 -3.808 -5.393 37 2HD1 LEU 5 2HD1 LEU 5 0.550 -2.419 -6.235 38 3HD1 LEU 5 3HD1 LEU 5 -0.057 -2.873 -4.643 39 1HD2 LEU 5 1HD2 LEU 5 0.600 -0.203 -4.913 40 2HD2 LEU 5 2HD2 LEU 5 1.969 0.078 -3.838 41 3HD2 LEU 5 3HD2 LEU 5 0.578 -0.845 -3.270 42 H LEU 6 H LEU 6 3.763 -2.718 -0.397 43 HA LEU 6 HA LEU 6 1.806 -1.211 0.880 44 1HB LEU 6 1HB LEU 6 3.795 -3.073 1.587 45 2HB LEU 6 2HB LEU 6 3.935 -1.742 2.705 46 HG LEU 6 HG LEU 6 2.475 -3.636 3.470 47 1HD1 LEU 6 1HD1 LEU 6 0.555 -2.062 4.120 48 2HD1 LEU 6 2HD1 LEU 6 1.470 -0.822 3.262 49 3HD1 LEU 6 3HD1 LEU 6 2.189 -1.650 4.642 50 1HD2 LEU 6 1HD2 LEU 6 1.451 -4.101 1.269 51 2HD2 LEU 6 2HD2 LEU 6 0.574 -2.576 1.386 52 3HD2 LEU 6 3HD2 LEU 6 0.260 -3.864 2.548 53 H GLY 7 H GLY 7 5.296 -0.555 0.585 54 1HA GLY 7 1HA GLY 7 5.335 1.756 2.200 55 2HA GLY 7 2HA GLY 7 6.500 1.367 0.950 56 H GLN 8 H GLN 8 4.624 1.267 -1.210 57 HA GLN 8 HA GLN 8 4.482 4.092 -1.812 58 1HB GLN 8 1HB GLN 8 4.946 2.204 -3.487 59 2HB GLN 8 2HB GLN 8 3.222 1.864 -3.419 60 1HG GLN 8 1HG GLN 8 3.661 3.222 -5.331 61 2HG GLN 8 2HG GLN 8 2.783 4.189 -4.148 62 1HE2 GLN 8 1HE2 GLN 8 3.793 5.919 -3.165 63 2HE2 GLN 8 2HE2 GLN 8 5.319 6.538 -3.700 64 H TRP 9 H TRP 9 2.308 1.495 -1.002 65 HA TRP 9 HA TRP 9 -0.170 2.799 -1.287 66 1HB TRP 9 1HB TRP 9 0.195 0.348 -1.114 67 2HB TRP 9 2HB TRP 9 0.644 0.558 0.569 68 HD1 TRP 9 HD1 TRP 9 -2.418 1.918 -1.374 69 HE1 TRP 9 HE1 TRP 9 -4.534 1.231 -0.062 70 HE3 TRP 9 HE3 TRP 9 -0.195 -0.734 2.350 71 HZ2 TRP 9 HZ2 TRP 9 -5.148 -0.249 2.278 72 HZ3 TRP 9 HZ3 TRP 9 -1.600 -1.747 4.099 73 HH2 TRP 9 HH2 TRP 9 -4.026 -1.495 4.059 74 H LEU 10 H LEU 10 2.117 2.460 1.360 75 HA LEU 10 HA LEU 10 0.525 3.707 3.357 76 1HB LEU 10 1HB LEU 10 2.466 2.192 3.784 77 2HB LEU 10 2HB LEU 10 3.532 3.479 3.258 78 HG LEU 10 HG LEU 10 2.600 4.895 5.121 79 1HD1 LEU 10 1HD1 LEU 10 1.360 2.266 5.915 80 2HD1 LEU 10 2HD1 LEU 10 0.520 3.766 5.523 81 3HD1 LEU 10 3HD1 LEU 10 1.511 3.666 6.977 82 1HD2 LEU 10 1HD2 LEU 10 4.762 3.731 5.265 83 2HD2 LEU 10 2HD2 LEU 10 3.945 2.325 5.946 84 3HD2 LEU 10 3HD2 LEU 10 3.960 3.850 6.831 85 H LYS 11 H LYS 11 2.905 4.908 1.041 86 HA LYS 11 HA LYS 11 3.365 7.453 2.036 87 1HB LYS 11 1HB LYS 11 3.448 6.203 -0.652 88 2HB LYS 11 2HB LYS 11 3.393 7.960 -0.611 89 1HG LYS 11 1HG LYS 11 5.348 7.815 1.019 90 2HG LYS 11 2HG LYS 11 5.484 6.130 0.512 91 1HD LYS 11 1HD LYS 11 6.403 6.684 -1.455 92 2HD LYS 11 2HD LYS 11 5.249 7.992 -1.724 93 1HE LYS 11 1HE LYS 11 6.618 9.242 0.084 94 2HE LYS 11 2HE LYS 11 7.865 8.046 -0.266 95 1HZ LYS 11 1HZ LYS 11 8.184 10.030 -1.585 96 2HZ LYS 11 2HZ LYS 11 6.628 9.899 -2.232 97 3HZ LYS 11 3HZ LYS 11 7.794 8.728 -2.595 98 H ASP 12 H ASP 12 0.700 6.306 -0.006 99 HA ASP 12 HA ASP 12 -0.547 8.872 -0.226 100 1HB ASP 12 1HB ASP 12 -0.791 6.849 -1.805 101 2HB ASP 12 2HB ASP 12 -1.940 6.227 -0.630 102 H GLY 13 H GLY 13 -0.962 6.042 1.848 103 1HA GLY 13 1HA GLY 13 -1.623 6.926 4.195 104 2HA GLY 13 2HA GLY 13 -3.078 7.429 3.349 105 H GLY 14 H GLY 14 -1.198 4.436 2.981 106 1HA GLY 14 1HA GLY 14 -1.909 2.260 2.893 107 2HA GLY 14 2HA GLY 14 -2.475 2.642 4.509 108 HA PRO 15 HA PRO 15 -6.286 0.970 2.713 109 1HB PRO 15 1HB PRO 15 -7.121 1.848 5.432 110 2HB PRO 15 2HB PRO 15 -7.455 0.337 4.594 111 1HG PRO 15 1HG PRO 15 -5.629 0.433 6.516 112 2HG PRO 15 2HG PRO 15 -5.332 -0.516 5.047 113 1HD PRO 15 1HD PRO 15 -4.223 2.146 5.835 114 2HD PRO 15 2HD PRO 15 -3.447 0.818 4.959 115 H SER 16 H SER 16 -6.120 3.978 4.627 116 HA SER 16 HA SER 16 -8.553 5.017 3.637 117 1HB SER 16 1HB SER 16 -8.065 6.978 4.841 118 2HB SER 16 2HB SER 16 -7.272 5.702 5.762 119 HG SER 16 HG SER 16 -5.323 6.357 5.010 120 H SER 17 H SER 17 -5.393 4.891 2.261 121 HA SER 17 HA SER 17 -5.185 7.134 0.695 122 1HB SER 17 1HB SER 17 -3.716 5.915 -0.709 123 2HB SER 17 2HB SER 17 -3.560 5.170 0.880 124 HG SER 17 HG SER 17 -3.937 3.838 -1.189 125 H GLY 18 H GLY 18 -7.111 4.230 0.040 126 1HA GLY 18 1HA GLY 18 -9.282 5.088 -1.145 127 2HA GLY 18 2HA GLY 18 -8.134 5.426 -2.432 128 H ARG 19 H ARG 19 -6.467 3.219 -2.232 129 HA ARG 19 HA ARG 19 -8.231 1.129 -3.265 130 1HB ARG 19 1HB ARG 19 -6.193 0.149 -4.215 131 2HB ARG 19 2HB ARG 19 -6.381 1.828 -4.699 132 1HG ARG 19 1HG ARG 19 -4.605 2.541 -3.411 133 2HG ARG 19 2HG ARG 19 -4.701 1.154 -2.325 134 1HD ARG 19 1HD ARG 19 -2.842 0.605 -3.548 135 2HD ARG 19 2HD ARG 19 -4.101 -0.192 -4.492 136 HE ARG 19 HE ARG 19 -3.808 2.359 -5.539 137 1HH1 ARG 19 1HH1 ARG 19 -1.836 -0.512 -5.175 138 2HH1 ARG 19 2HH1 ARG 19 -0.886 -0.186 -6.584 139 1HH2 ARG 19 1HH2 ARG 19 -2.552 2.782 -7.394 140 2HH2 ARG 19 2HH2 ARG 19 -1.291 1.684 -7.844 141 HA PRO 20 HA PRO 20 -7.777 -1.513 0.246 142 1HB PRO 20 1HB PRO 20 -7.630 -3.829 -1.565 143 2HB PRO 20 2HB PRO 20 -8.864 -3.415 -0.374 144 1HG PRO 20 1HG PRO 20 -9.331 -3.244 -3.015 145 2HG PRO 20 2HG PRO 20 -10.049 -2.105 -1.859 146 1HD PRO 20 1HD PRO 20 -7.689 -1.735 -3.668 147 2HD PRO 20 2HD PRO 20 -9.001 -0.602 -3.280 148 HA PRO 21 HA PRO 21 -3.574 -2.572 1.067 149 1HB PRO 21 1HB PRO 21 -4.552 -5.257 1.916 150 2HB PRO 21 2HB PRO 21 -3.529 -4.107 2.783 151 1HG PRO 21 1HG PRO 21 -6.095 -4.407 3.431 152 2HG PRO 21 2HG PRO 21 -5.329 -2.808 3.450 153 1HD PRO 21 1HD PRO 21 -7.224 -3.979 1.472 154 2HD PRO 21 2HD PRO 21 -7.058 -2.301 2.020 155 HA PRO 22 HA PRO 22 -2.358 -4.722 -2.664 156 1HB PRO 22 1HB PRO 22 0.355 -4.579 -1.512 157 2HB PRO 22 2HB PRO 22 -0.264 -3.895 -3.018 158 1HG PRO 22 1HG PRO 22 0.329 -2.350 -0.907 159 2HG PRO 22 2HG PRO 22 -1.025 -1.975 -1.989 160 1HD PRO 22 1HD PRO 22 -1.062 -3.238 0.725 161 2HD PRO 22 2HD PRO 22 -2.161 -2.035 0.026 162 H SER 23 H SER 23 -3.453 -6.638 -1.710 163 HA SER 23 HA SER 23 -1.563 -8.798 -1.429 164 1HB SER 23 1HB SER 23 -2.765 -9.656 0.665 165 2HB SER 23 2HB SER 23 -1.660 -8.299 0.886 166 HG SER 23 HG SER 23 -3.310 -6.994 1.280 Start of MODEL 6 1 H ALA 1 H ALA 1 3.873 -8.290 -5.451 2 HA ALA 1 HA ALA 1 6.211 -7.819 -3.726 3 1HB ALA 1 1HB ALA 1 6.581 -6.483 -5.581 4 2HB ALA 1 2HB ALA 1 5.689 -5.406 -4.506 5 3HB ALA 1 3HB ALA 1 4.861 -6.197 -5.848 6 H LEU 2 H LEU 2 5.377 -8.047 -1.726 7 HA LEU 2 HA LEU 2 2.740 -6.939 -1.120 8 1HB LEU 2 1HB LEU 2 4.444 -9.029 0.008 9 2HB LEU 2 2HB LEU 2 3.749 -7.984 1.232 10 HG LEU 2 HG LEU 2 2.385 -9.987 0.835 11 1HD1 LEU 2 1HD1 LEU 2 0.297 -8.912 0.814 12 2HD1 LEU 2 2HD1 LEU 2 0.893 -7.588 -0.186 13 3HD1 LEU 2 3HD1 LEU 2 1.420 -7.733 1.491 14 1HD2 LEU 2 1HD2 LEU 2 2.975 -10.205 -1.582 15 2HD2 LEU 2 2HD2 LEU 2 1.873 -8.870 -1.917 16 3HD2 LEU 2 3HD2 LEU 2 1.254 -10.373 -1.233 17 H GLN 3 H GLN 3 5.994 -6.857 0.362 18 HA GLN 3 HA GLN 3 5.432 -4.608 1.997 19 1HB GLN 3 1HB GLN 3 7.239 -6.339 2.373 20 2HB GLN 3 2HB GLN 3 8.164 -5.539 1.111 21 1HG GLN 3 1HG GLN 3 7.178 -3.770 3.235 22 2HG GLN 3 2HG GLN 3 8.350 -4.982 3.751 23 1HE2 GLN 3 1HE2 GLN 3 10.414 -5.026 2.684 24 2HE2 GLN 3 2HE2 GLN 3 11.056 -3.578 1.987 25 H GLU 4 H GLU 4 7.016 -4.968 -1.159 26 HA GLU 4 HA GLU 4 7.945 -2.351 -1.473 27 1HB GLU 4 1HB GLU 4 6.956 -4.271 -3.591 28 2HB GLU 4 2HB GLU 4 7.887 -2.815 -3.906 29 1HG GLU 4 1HG GLU 4 9.814 -3.817 -3.431 30 2HG GLU 4 2HG GLU 4 9.168 -4.548 -1.961 31 H LEU 5 H LEU 5 4.831 -3.777 -2.469 32 HA LEU 5 HA LEU 5 3.785 -1.341 -3.502 33 1HB LEU 5 1HB LEU 5 3.037 -3.973 -3.630 34 2HB LEU 5 2HB LEU 5 1.827 -3.308 -2.552 35 HG LEU 5 HG LEU 5 2.440 -2.280 -5.325 36 1HD1 LEU 5 1HD1 LEU 5 0.629 -3.429 -6.124 37 2HD1 LEU 5 2HD1 LEU 5 -0.140 -3.543 -4.542 38 3HD1 LEU 5 3HD1 LEU 5 1.236 -4.575 -4.929 39 1HD2 LEU 5 1HD2 LEU 5 0.300 -1.495 -3.348 40 2HD2 LEU 5 2HD2 LEU 5 0.424 -0.919 -5.011 41 3HD2 LEU 5 3HD2 LEU 5 1.680 -0.512 -3.840 42 H LEU 6 H LEU 6 3.732 -2.873 -0.341 43 HA LEU 6 HA LEU 6 1.694 -1.385 0.883 44 1HB LEU 6 1HB LEU 6 3.687 -3.222 1.653 45 2HB LEU 6 2HB LEU 6 3.813 -1.863 2.737 46 HG LEU 6 HG LEU 6 2.357 -3.746 3.539 47 1HD1 LEU 6 1HD1 LEU 6 2.062 -1.734 4.664 48 2HD1 LEU 6 2HD1 LEU 6 0.432 -2.160 4.146 49 3HD1 LEU 6 3HD1 LEU 6 1.348 -0.939 3.262 50 1HD2 LEU 6 1HD2 LEU 6 1.354 -4.177 1.273 51 2HD2 LEU 6 2HD2 LEU 6 0.382 -2.725 1.512 52 3HD2 LEU 6 3HD2 LEU 6 0.206 -4.094 2.608 53 H GLY 7 H GLY 7 5.159 -0.706 0.508 54 1HA GLY 7 1HA GLY 7 5.197 1.639 2.098 55 2HA GLY 7 2HA GLY 7 6.370 1.215 0.868 56 H GLN 8 H GLN 8 4.474 1.032 -1.284 57 HA GLN 8 HA GLN 8 4.346 3.828 -1.997 58 1HB GLN 8 1HB GLN 8 4.727 1.765 -3.556 59 2HB GLN 8 2HB GLN 8 2.975 1.632 -3.535 60 1HG GLN 8 1HG GLN 8 3.582 2.853 -5.474 61 2HG GLN 8 2HG GLN 8 2.860 3.991 -4.337 62 1HE2 GLN 8 1HE2 GLN 8 4.123 5.586 -3.417 63 2HE2 GLN 8 2HE2 GLN 8 5.721 5.950 -3.972 64 H TRP 9 H TRP 9 2.149 1.278 -1.081 65 HA TRP 9 HA TRP 9 -0.312 2.620 -1.369 66 1HB TRP 9 1HB TRP 9 -0.004 0.170 -1.167 67 2HB TRP 9 2HB TRP 9 0.489 0.386 0.502 68 HD1 TRP 9 HD1 TRP 9 -2.585 1.840 -1.353 69 HE1 TRP 9 HE1 TRP 9 -4.682 1.198 0.009 70 HE3 TRP 9 HE3 TRP 9 -0.343 -0.930 2.270 71 HZ2 TRP 9 HZ2 TRP 9 -5.277 -0.291 2.345 72 HZ3 TRP 9 HZ3 TRP 9 -1.728 -1.925 4.045 73 HH2 TRP 9 HH2 TRP 9 -4.147 -1.601 4.075 74 H LEU 10 H LEU 10 1.991 2.271 1.269 75 HA LEU 10 HA LEU 10 0.438 3.594 3.250 76 1HB LEU 10 1HB LEU 10 2.331 2.038 3.711 77 2HB LEU 10 2HB LEU 10 3.437 3.274 3.141 78 HG LEU 10 HG LEU 10 2.519 4.770 4.974 79 1HD1 LEU 10 1HD1 LEU 10 0.460 3.608 5.443 80 2HD1 LEU 10 2HD1 LEU 10 1.479 3.598 6.882 81 3HD1 LEU 10 3HD1 LEU 10 1.346 2.149 5.887 82 1HD2 LEU 10 1HD2 LEU 10 3.917 3.754 6.691 83 2HD2 LEU 10 2HD2 LEU 10 4.698 3.664 5.112 84 3HD2 LEU 10 3HD2 LEU 10 3.929 2.233 5.797 85 H LYS 11 H LYS 11 2.760 4.685 0.842 86 HA LYS 11 HA LYS 11 3.355 7.229 1.768 87 1HB LYS 11 1HB LYS 11 4.111 5.894 -0.387 88 2HB LYS 11 2HB LYS 11 2.834 6.830 -1.150 89 1HG LYS 11 1HG LYS 11 4.498 8.296 -1.497 90 2HG LYS 11 2HG LYS 11 4.118 8.795 0.153 91 1HD LYS 11 1HD LYS 11 5.848 6.777 0.639 92 2HD LYS 11 2HD LYS 11 6.467 7.360 -0.906 93 1HE LYS 11 1HE LYS 11 6.714 9.586 -0.025 94 2HE LYS 11 2HE LYS 11 5.935 9.116 1.486 95 1HZ LYS 11 1HZ LYS 11 8.327 9.196 1.734 96 2HZ LYS 11 2HZ LYS 11 8.532 8.085 0.475 97 3HZ LYS 11 3HZ LYS 11 7.783 7.604 1.913 98 H ASP 12 H ASP 12 0.582 6.150 -0.168 99 HA ASP 12 HA ASP 12 -0.606 8.749 -0.335 100 1HB ASP 12 1HB ASP 12 -0.961 6.826 -1.957 101 2HB ASP 12 2HB ASP 12 -1.992 6.092 -0.743 102 H GLY 13 H GLY 13 -0.953 5.955 1.787 103 1HA GLY 13 1HA GLY 13 -1.548 6.848 4.134 104 2HA GLY 13 2HA GLY 13 -3.022 7.370 3.335 105 H GLY 14 H GLY 14 -1.217 4.342 2.901 106 1HA GLY 14 1HA GLY 14 -1.966 2.178 2.860 107 2HA GLY 14 2HA GLY 14 -2.464 2.580 4.494 108 HA PRO 15 HA PRO 15 -6.361 0.962 2.826 109 1HB PRO 15 1HB PRO 15 -7.078 1.823 5.585 110 2HB PRO 15 2HB PRO 15 -7.465 0.326 4.746 111 1HG PRO 15 1HG PRO 15 -5.563 0.381 6.596 112 2HG PRO 15 2HG PRO 15 -5.341 -0.562 5.110 113 1HD PRO 15 1HD PRO 15 -4.153 2.073 5.871 114 2HD PRO 15 2HD PRO 15 -3.440 0.741 4.947 115 H SER 16 H SER 16 -6.071 3.951 4.757 116 HA SER 16 HA SER 16 -8.528 5.018 3.801 117 1HB SER 16 1HB SER 16 -7.945 7.035 4.995 118 2HB SER 16 2HB SER 16 -7.500 5.645 5.985 119 HG SER 16 HG SER 16 -5.894 7.538 4.745 120 H SER 17 H SER 17 -5.387 4.890 2.428 121 HA SER 17 HA SER 17 -5.071 7.214 1.012 122 1HB SER 17 1HB SER 17 -3.717 6.007 -0.521 123 2HB SER 17 2HB SER 17 -3.538 5.189 1.025 124 HG SER 17 HG SER 17 -4.776 3.536 0.301 125 H GLY 18 H GLY 18 -7.036 4.410 0.051 126 1HA GLY 18 1HA GLY 18 -9.218 5.494 -1.001 127 2HA GLY 18 2HA GLY 18 -8.058 5.846 -2.273 128 H ARG 19 H ARG 19 -6.541 3.397 -1.872 129 HA ARG 19 HA ARG 19 -8.432 1.492 -3.082 130 1HB ARG 19 1HB ARG 19 -6.428 0.486 -4.152 131 2HB ARG 19 2HB ARG 19 -6.695 2.157 -4.627 132 1HG ARG 19 1HG ARG 19 -4.627 2.654 -4.018 133 2HG ARG 19 2HG ARG 19 -5.002 2.186 -2.361 134 1HD ARG 19 1HD ARG 19 -3.157 0.867 -2.960 135 2HD ARG 19 2HD ARG 19 -4.549 -0.204 -3.094 136 HE ARG 19 HE ARG 19 -4.024 0.996 -5.592 137 1HH1 ARG 19 1HH1 ARG 19 -2.716 -1.412 -3.411 138 2HH1 ARG 19 2HH1 ARG 19 -1.968 -2.329 -4.674 139 1HH2 ARG 19 1HH2 ARG 19 -3.036 -0.217 -7.254 140 2HH2 ARG 19 2HH2 ARG 19 -2.149 -1.651 -6.856 141 HA PRO 20 HA PRO 20 -7.799 -1.384 0.215 142 1HB PRO 20 1HB PRO 20 -7.692 -3.595 -1.719 143 2HB PRO 20 2HB PRO 20 -8.904 -3.245 -0.486 144 1HG PRO 20 1HG PRO 20 -9.412 -2.946 -3.113 145 2HG PRO 20 2HG PRO 20 -10.133 -1.891 -1.885 146 1HD PRO 20 1HD PRO 20 -7.815 -1.372 -3.708 147 2HD PRO 20 2HD PRO 20 -9.136 -0.287 -3.227 148 HA PRO 21 HA PRO 21 -3.577 -2.578 0.712 149 1HB PRO 21 1HB PRO 21 -3.770 -5.206 1.569 150 2HB PRO 21 2HB PRO 21 -3.944 -3.787 2.605 151 1HG PRO 21 1HG PRO 21 -6.053 -5.488 1.348 152 2HG PRO 21 2HG PRO 21 -6.015 -4.754 2.962 153 1HD PRO 21 1HD PRO 21 -7.483 -3.705 0.979 154 2HD PRO 21 2HD PRO 21 -6.658 -2.674 2.167 155 HA PRO 22 HA PRO 22 -2.118 -4.306 -3.092 156 1HB PRO 22 1HB PRO 22 0.046 -5.415 -1.361 157 2HB PRO 22 2HB PRO 22 0.170 -4.508 -2.873 158 1HG PRO 22 1HG PRO 22 0.652 -3.316 -0.549 159 2HG PRO 22 2HG PRO 22 -0.223 -2.469 -1.838 160 1HD PRO 22 1HD PRO 22 -1.259 -3.671 0.685 161 2HD PRO 22 2HD PRO 22 -1.810 -2.229 -0.191 162 H SER 23 H SER 23 -1.940 -6.395 -0.240 163 HA SER 23 HA SER 23 -3.354 -8.504 -1.574 164 1HB SER 23 1HB SER 23 -0.460 -8.533 -1.586 165 2HB SER 23 2HB SER 23 -1.091 -9.920 -0.699 166 HG SER 23 HG SER 23 -0.871 -10.296 -2.972 Start of MODEL 7 1 H ALA 1 H ALA 1 3.212 -7.871 -5.628 2 HA ALA 1 HA ALA 1 4.661 -8.645 -3.921 3 1HB ALA 1 1HB ALA 1 6.205 -6.187 -4.665 4 2HB ALA 1 2HB ALA 1 6.773 -7.847 -4.494 5 3HB ALA 1 3HB ALA 1 6.346 -6.911 -3.062 6 H LEU 2 H LEU 2 3.919 -8.299 -1.878 7 HA LEU 2 HA LEU 2 1.882 -6.274 -1.557 8 1HB LEU 2 1HB LEU 2 1.695 -8.664 -0.749 9 2HB LEU 2 2HB LEU 2 2.847 -8.249 0.505 10 HG LEU 2 HG LEU 2 0.474 -6.495 0.314 11 1HD1 LEU 2 1HD1 LEU 2 0.228 -9.278 1.440 12 2HD1 LEU 2 2HD1 LEU 2 -0.447 -8.768 -0.106 13 3HD1 LEU 2 3HD1 LEU 2 -1.015 -8.028 1.390 14 1HD2 LEU 2 1HD2 LEU 2 0.617 -6.683 2.766 15 2HD2 LEU 2 2HD2 LEU 2 2.139 -6.162 2.043 16 3HD2 LEU 2 3HD2 LEU 2 1.945 -7.829 2.585 17 H GLN 3 H GLN 3 4.916 -7.135 0.113 18 HA GLN 3 HA GLN 3 4.876 -4.941 1.898 19 1HB GLN 3 1HB GLN 3 6.304 -7.192 1.823 20 2HB GLN 3 2HB GLN 3 7.481 -6.120 1.077 21 1HG GLN 3 1HG GLN 3 6.830 -4.613 3.174 22 2HG GLN 3 2HG GLN 3 6.469 -6.199 3.854 23 1HE2 GLN 3 1HE2 GLN 3 8.147 -7.704 4.105 24 2HE2 GLN 3 2HE2 GLN 3 9.807 -7.219 4.102 25 H GLU 4 H GLU 4 6.449 -5.416 -1.254 26 HA GLU 4 HA GLU 4 7.915 -3.020 -1.299 27 1HB GLU 4 1HB GLU 4 6.781 -4.661 -3.569 28 2HB GLU 4 2HB GLU 4 7.892 -3.317 -3.792 29 1HG GLU 4 1HG GLU 4 8.503 -5.779 -2.173 30 2HG GLU 4 2HG GLU 4 8.968 -5.546 -3.857 31 H LEU 5 H LEU 5 4.671 -3.762 -2.568 32 HA LEU 5 HA LEU 5 4.190 -1.100 -3.484 33 1HB LEU 5 1HB LEU 5 3.034 -3.508 -3.966 34 2HB LEU 5 2HB LEU 5 1.863 -2.799 -2.873 35 HG LEU 5 HG LEU 5 2.818 -1.482 -5.415 36 1HD1 LEU 5 1HD1 LEU 5 0.687 -2.127 -6.376 37 2HD1 LEU 5 2HD1 LEU 5 0.249 -2.972 -4.892 38 3HD1 LEU 5 3HD1 LEU 5 1.590 -3.556 -5.877 39 1HD2 LEU 5 1HD2 LEU 5 0.681 -0.156 -5.014 40 2HD2 LEU 5 2HD2 LEU 5 2.052 0.194 -3.960 41 3HD2 LEU 5 3HD2 LEU 5 0.721 -0.803 -3.373 42 H LEU 6 H LEU 6 3.834 -2.709 -0.430 43 HA LEU 6 HA LEU 6 1.832 -1.227 0.806 44 1HB LEU 6 1HB LEU 6 3.701 -3.123 1.550 45 2HB LEU 6 2HB LEU 6 4.061 -1.762 2.580 46 HG LEU 6 HG LEU 6 2.522 -3.409 3.614 47 1HD1 LEU 6 1HD1 LEU 6 1.517 -0.616 3.126 48 2HD1 LEU 6 2HD1 LEU 6 2.458 -1.214 4.492 49 3HD1 LEU 6 3HD1 LEU 6 0.781 -1.720 4.288 50 1HD2 LEU 6 1HD2 LEU 6 0.565 -2.486 1.515 51 2HD2 LEU 6 2HD2 LEU 6 0.238 -3.597 2.844 52 3HD2 LEU 6 3HD2 LEU 6 1.343 -4.067 1.553 53 H GLY 7 H GLY 7 5.312 -0.513 0.542 54 1HA GLY 7 1HA GLY 7 5.291 1.816 2.134 55 2HA GLY 7 2HA GLY 7 6.472 1.438 0.897 56 H GLN 8 H GLN 8 4.503 1.245 -1.231 57 HA GLN 8 HA GLN 8 4.353 4.059 -1.907 58 1HB GLN 8 1HB GLN 8 4.465 1.693 -3.375 59 2HB GLN 8 2HB GLN 8 2.819 2.259 -3.626 60 1HG GLN 8 1HG GLN 8 4.138 3.136 -5.381 61 2HG GLN 8 2HG GLN 8 3.771 4.473 -4.292 62 1HE2 GLN 8 1HE2 GLN 8 5.412 5.492 -3.217 63 2HE2 GLN 8 2HE2 GLN 8 7.087 5.150 -3.491 64 H TRP 9 H TRP 9 2.208 1.462 -1.016 65 HA TRP 9 HA TRP 9 -0.279 2.763 -1.262 66 1HB TRP 9 1HB TRP 9 0.100 0.309 -1.080 67 2HB TRP 9 2HB TRP 9 0.565 0.535 0.596 68 HD1 TRP 9 HD1 TRP 9 -2.521 1.898 -1.306 69 HE1 TRP 9 HE1 TRP 9 -4.619 1.204 0.026 70 HE3 TRP 9 HE3 TRP 9 -0.253 -0.773 2.373 71 HZ2 TRP 9 HZ2 TRP 9 -5.205 -0.289 2.364 72 HZ3 TRP 9 HZ3 TRP 9 -1.633 -1.792 4.134 73 HH2 TRP 9 HH2 TRP 9 -4.061 -1.543 4.125 74 H LEU 10 H LEU 10 2.060 2.429 1.344 75 HA LEU 10 HA LEU 10 0.500 3.705 3.357 76 1HB LEU 10 1HB LEU 10 2.449 2.146 3.722 77 2HB LEU 10 2HB LEU 10 3.503 3.470 3.261 78 HG LEU 10 HG LEU 10 2.144 4.711 5.198 79 1HD1 LEU 10 1HD1 LEU 10 2.140 1.820 6.052 80 2HD1 LEU 10 2HD1 LEU 10 0.711 2.775 5.653 81 3HD1 LEU 10 3HD1 LEU 10 1.700 3.207 7.048 82 1HD2 LEU 10 1HD2 LEU 10 4.432 2.805 5.679 83 2HD2 LEU 10 2HD2 LEU 10 3.986 4.175 6.695 84 3HD2 LEU 10 3HD2 LEU 10 4.576 4.449 5.056 85 H LYS 11 H LYS 11 2.857 4.835 0.992 86 HA LYS 11 HA LYS 11 3.394 7.382 1.951 87 1HB LYS 11 1HB LYS 11 4.377 6.182 -0.087 88 2HB LYS 11 2HB LYS 11 2.981 6.777 -0.974 89 1HG LYS 11 1HG LYS 11 3.676 9.098 -0.189 90 2HG LYS 11 2HG LYS 11 5.204 8.350 0.282 91 1HD LYS 11 1HD LYS 11 5.925 8.463 -1.817 92 2HD LYS 11 2HD LYS 11 4.553 7.495 -2.357 93 1HE LYS 11 1HE LYS 11 4.155 9.374 -3.575 94 2HE LYS 11 2HE LYS 11 3.302 9.824 -2.100 95 1HZ LYS 11 1HZ LYS 11 6.074 10.615 -2.820 96 2HZ LYS 11 2HZ LYS 11 5.287 11.023 -1.380 97 3HZ LYS 11 3HZ LYS 11 4.712 11.618 -2.855 98 H ASP 12 H ASP 12 0.667 6.254 -0.014 99 HA ASP 12 HA ASP 12 -0.538 8.841 -0.248 100 1HB ASP 12 1HB ASP 12 -0.835 6.803 -1.800 101 2HB ASP 12 2HB ASP 12 -1.984 6.219 -0.603 102 H GLY 13 H GLY 13 -0.972 6.034 1.852 103 1HA GLY 13 1HA GLY 13 -1.585 6.950 4.202 104 2HA GLY 13 2HA GLY 13 -3.047 7.459 3.373 105 H GLY 14 H GLY 14 -1.204 4.446 2.995 106 1HA GLY 14 1HA GLY 14 -1.917 2.275 2.951 107 2HA GLY 14 2HA GLY 14 -2.485 2.682 4.562 108 HA PRO 15 HA PRO 15 -6.290 0.999 2.745 109 1HB PRO 15 1HB PRO 15 -7.116 1.846 5.477 110 2HB PRO 15 2HB PRO 15 -7.449 0.343 4.625 111 1HG PRO 15 1HG PRO 15 -5.618 0.428 6.546 112 2HG PRO 15 2HG PRO 15 -5.328 -0.514 5.071 113 1HD PRO 15 1HD PRO 15 -4.206 2.137 5.871 114 2HD PRO 15 2HD PRO 15 -3.442 0.815 4.974 115 H SER 16 H SER 16 -6.029 3.996 4.637 116 HA SER 16 HA SER 16 -8.488 5.074 3.768 117 1HB SER 16 1HB SER 16 -7.062 5.753 5.804 118 2HB SER 16 2HB SER 16 -6.152 6.750 4.667 119 HG SER 16 HG SER 16 -7.772 8.009 5.515 120 H SER 17 H SER 17 -5.359 4.937 2.277 121 HA SER 17 HA SER 17 -5.234 7.145 0.661 122 1HB SER 17 1HB SER 17 -3.813 5.906 -0.791 123 2HB SER 17 2HB SER 17 -3.566 5.230 0.817 124 HG SER 17 HG SER 17 -3.996 3.795 -1.158 125 H GLY 18 H GLY 18 -7.132 4.201 0.099 126 1HA GLY 18 1HA GLY 18 -9.355 5.009 -1.024 127 2HA GLY 18 2HA GLY 18 -8.254 5.361 -2.349 128 H ARG 19 H ARG 19 -6.538 3.189 -2.189 129 HA ARG 19 HA ARG 19 -8.301 1.048 -3.123 130 1HB ARG 19 1HB ARG 19 -6.296 0.117 -4.186 131 2HB ARG 19 2HB ARG 19 -6.559 1.786 -4.671 132 1HG ARG 19 1HG ARG 19 -4.598 2.446 -3.847 133 2HG ARG 19 2HG ARG 19 -4.828 1.553 -2.343 134 1HD ARG 19 1HD ARG 19 -4.035 -0.469 -3.338 135 2HD ARG 19 2HD ARG 19 -4.023 0.260 -4.943 136 HE ARG 19 HE ARG 19 -2.009 0.504 -2.908 137 1HH1 ARG 19 1HH1 ARG 19 -3.376 1.996 -5.767 138 2HH1 ARG 19 2HH1 ARG 19 -1.939 2.886 -6.138 139 1HH2 ARG 19 1HH2 ARG 19 -0.121 1.684 -3.401 140 2HH2 ARG 19 2HH2 ARG 19 -0.090 2.709 -4.797 141 HA PRO 20 HA PRO 20 -7.489 -1.574 0.340 142 1HB PRO 20 1HB PRO 20 -7.392 -3.915 -1.418 143 2HB PRO 20 2HB PRO 20 -8.603 -3.475 -0.213 144 1HG PRO 20 1HG PRO 20 -9.110 -3.400 -2.863 145 2HG PRO 20 2HG PRO 20 -9.858 -2.271 -1.718 146 1HD PRO 20 1HD PRO 20 -7.539 -1.840 -3.567 147 2HD PRO 20 2HD PRO 20 -8.892 -0.754 -3.184 148 HA PRO 21 HA PRO 21 -3.239 -2.621 0.910 149 1HB PRO 21 1HB PRO 21 -4.068 -5.415 1.534 150 2HB PRO 21 2HB PRO 21 -3.058 -4.305 2.466 151 1HG PRO 21 1HG PRO 21 -5.586 -4.795 3.174 152 2HG PRO 21 2HG PRO 21 -4.875 -3.182 3.350 153 1HD PRO 21 1HD PRO 21 -6.830 -4.181 1.344 154 2HD PRO 21 2HD PRO 21 -6.659 -2.562 2.048 155 HA PRO 22 HA PRO 22 -1.820 -4.019 -3.071 156 1HB PRO 22 1HB PRO 22 0.466 -4.918 -1.351 157 2HB PRO 22 2HB PRO 22 0.493 -4.065 -2.899 158 1HG PRO 22 1HG PRO 22 0.869 -2.749 -0.615 159 2HG PRO 22 2HG PRO 22 -0.067 -2.031 -1.940 160 1HD PRO 22 1HD PRO 22 -1.000 -3.125 0.652 161 2HD PRO 22 2HD PRO 22 -1.727 -1.883 -0.382 162 H SER 23 H SER 23 -3.307 -5.705 -3.366 163 HA SER 23 HA SER 23 -2.142 -8.325 -3.329 164 1HB SER 23 1HB SER 23 -3.884 -9.423 -1.986 165 2HB SER 23 2HB SER 23 -2.999 -8.238 -1.026 166 HG SER 23 HG SER 23 -5.642 -8.304 -1.723 Start of MODEL 8 1 H ALA 1 H ALA 1 4.649 -9.140 -5.053 2 HA ALA 1 HA ALA 1 6.333 -7.693 -4.201 3 1HB ALA 1 1HB ALA 1 6.219 -5.279 -4.895 4 2HB ALA 1 2HB ALA 1 5.222 -5.793 -6.255 5 3HB ALA 1 3HB ALA 1 6.878 -6.382 -6.103 6 H LEU 2 H LEU 2 5.195 -8.052 -2.342 7 HA LEU 2 HA LEU 2 2.634 -6.699 -1.957 8 1HB LEU 2 1HB LEU 2 2.918 -9.092 -1.323 9 2HB LEU 2 2HB LEU 2 4.079 -8.596 -0.106 10 HG LEU 2 HG LEU 2 1.561 -7.167 0.161 11 1HD1 LEU 2 1HD1 LEU 2 0.545 -9.147 -0.732 12 2HD1 LEU 2 2HD1 LEU 2 0.291 -9.122 1.013 13 3HD1 LEU 2 3HD1 LEU 2 1.520 -10.176 0.316 14 1HD2 LEU 2 1HD2 LEU 2 3.312 -7.233 1.862 15 2HD2 LEU 2 2HD2 LEU 2 3.108 -8.978 2.011 16 3HD2 LEU 2 3HD2 LEU 2 1.797 -7.895 2.477 17 H GLN 3 H GLN 3 5.711 -7.048 -0.168 18 HA GLN 3 HA GLN 3 5.199 -4.979 1.676 19 1HB GLN 3 1HB GLN 3 6.902 -6.760 1.991 20 2HB GLN 3 2HB GLN 3 7.885 -6.009 0.741 21 1HG GLN 3 1HG GLN 3 7.077 -4.219 2.924 22 2HG GLN 3 2HG GLN 3 8.139 -5.545 3.394 23 1HE2 GLN 3 1HE2 GLN 3 10.175 -5.756 2.264 24 2HE2 GLN 3 2HE2 GLN 3 10.942 -4.347 1.617 25 H GLU 4 H GLU 4 6.908 -5.001 -1.431 26 HA GLU 4 HA GLU 4 7.895 -2.378 -1.359 27 1HB GLU 4 1HB GLU 4 7.039 -3.943 -3.803 28 2HB GLU 4 2HB GLU 4 8.126 -2.563 -3.782 29 1HG GLU 4 1HG GLU 4 9.769 -4.057 -3.706 30 2HG GLU 4 2HG GLU 4 9.321 -4.286 -2.016 31 H LEU 5 H LEU 5 4.846 -3.655 -2.683 32 HA LEU 5 HA LEU 5 3.870 -1.139 -3.569 33 1HB LEU 5 1HB LEU 5 3.111 -3.727 -3.943 34 2HB LEU 5 2HB LEU 5 1.876 -3.175 -2.828 35 HG LEU 5 HG LEU 5 2.526 -1.927 -5.502 36 1HD1 LEU 5 1HD1 LEU 5 1.182 -4.228 -5.114 37 2HD1 LEU 5 2HD1 LEU 5 0.832 -3.093 -6.418 38 3HD1 LEU 5 3HD1 LEU 5 -0.132 -3.064 -4.941 39 1HD2 LEU 5 1HD2 LEU 5 0.534 -1.198 -3.366 40 2HD2 LEU 5 2HD2 LEU 5 0.397 -0.655 -5.038 41 3HD2 LEU 5 3HD2 LEU 5 1.795 -0.187 -4.070 42 H LEU 6 H LEU 6 3.699 -2.863 -0.518 43 HA LEU 6 HA LEU 6 1.610 -1.450 0.712 44 1HB LEU 6 1HB LEU 6 3.279 -3.470 1.406 45 2HB LEU 6 2HB LEU 6 3.859 -2.195 2.445 46 HG LEU 6 HG LEU 6 2.206 -3.619 3.571 47 1HD1 LEU 6 1HD1 LEU 6 1.278 -0.802 3.034 48 2HD1 LEU 6 2HD1 LEU 6 2.397 -1.326 4.293 49 3HD1 LEU 6 3HD1 LEU 6 0.706 -1.824 4.353 50 1HD2 LEU 6 1HD2 LEU 6 0.180 -2.560 1.616 51 2HD2 LEU 6 2HD2 LEU 6 -0.056 -3.767 2.880 52 3HD2 LEU 6 3HD2 LEU 6 0.931 -4.148 1.469 53 H GLY 7 H GLY 7 5.094 -0.781 0.543 54 1HA GLY 7 1HA GLY 7 5.045 1.486 2.253 55 2HA GLY 7 2HA GLY 7 6.292 1.106 1.082 56 H GLN 8 H GLN 8 4.391 0.997 -1.143 57 HA GLN 8 HA GLN 8 4.397 3.815 -1.806 58 1HB GLN 8 1HB GLN 8 3.274 1.421 -3.289 59 2HB GLN 8 2HB GLN 8 3.339 3.054 -3.937 60 1HG GLN 8 1HG GLN 8 5.772 1.515 -3.068 61 2HG GLN 8 2HG GLN 8 5.147 1.511 -4.716 62 1HE2 GLN 8 1HE2 GLN 8 6.714 3.388 -2.240 63 2HE2 GLN 8 2HE2 GLN 8 7.219 4.688 -3.264 64 H TRP 9 H TRP 9 2.089 1.322 -1.013 65 HA TRP 9 HA TRP 9 -0.306 2.784 -1.289 66 1HB TRP 9 1HB TRP 9 -0.139 0.323 -1.220 67 2HB TRP 9 2HB TRP 9 0.379 0.410 0.454 68 HD1 TRP 9 HD1 TRP 9 -2.645 2.035 -1.340 69 HE1 TRP 9 HE1 TRP 9 -4.760 1.449 0.023 70 HE3 TRP 9 HE3 TRP 9 -0.484 -0.841 2.250 71 HZ2 TRP 9 HZ2 TRP 9 -5.394 -0.046 2.347 72 HZ3 TRP 9 HZ3 TRP 9 -1.895 -1.806 4.019 73 HH2 TRP 9 HH2 TRP 9 -4.300 -1.402 4.060 74 H LEU 10 H LEU 10 1.893 2.151 1.392 75 HA LEU 10 HA LEU 10 0.378 3.426 3.418 76 1HB LEU 10 1HB LEU 10 2.241 1.795 3.778 77 2HB LEU 10 2HB LEU 10 3.370 3.056 3.322 78 HG LEU 10 HG LEU 10 1.554 3.882 5.457 79 1HD1 LEU 10 1HD1 LEU 10 2.602 2.519 7.200 80 2HD1 LEU 10 2HD1 LEU 10 3.448 1.591 5.963 81 3HD1 LEU 10 3HD1 LEU 10 1.689 1.529 6.060 82 1HD2 LEU 10 1HD2 LEU 10 3.551 5.122 4.750 83 2HD2 LEU 10 2HD2 LEU 10 4.562 3.765 5.246 84 3HD2 LEU 10 3HD2 LEU 10 3.631 4.659 6.449 85 H LYS 11 H LYS 11 2.749 4.598 1.100 86 HA LYS 11 HA LYS 11 3.374 7.071 2.206 87 1HB LYS 11 1HB LYS 11 4.233 5.867 0.037 88 2HB LYS 11 2HB LYS 11 2.968 6.800 -0.751 89 1HG LYS 11 1HG LYS 11 4.037 8.825 0.442 90 2HG LYS 11 2HG LYS 11 5.431 7.762 0.643 91 1HD LYS 11 1HD LYS 11 5.544 7.427 -1.767 92 2HD LYS 11 2HD LYS 11 4.113 8.436 -1.988 93 1HE LYS 11 1HE LYS 11 6.535 9.504 -0.585 94 2HE LYS 11 2HE LYS 11 6.461 9.472 -2.346 95 1HZ LYS 11 1HZ LYS 11 4.551 10.847 -0.533 96 2HZ LYS 11 2HZ LYS 11 4.398 10.767 -2.216 97 3HZ LYS 11 3HZ LYS 11 5.705 11.589 -1.524 98 H ASP 12 H ASP 12 0.522 6.047 0.417 99 HA ASP 12 HA ASP 12 -0.565 8.765 0.501 100 1HB ASP 12 1HB ASP 12 -0.593 7.324 -1.613 101 2HB ASP 12 2HB ASP 12 -1.833 6.360 -0.819 102 H GLY 13 H GLY 13 -0.311 7.370 2.975 103 1HA GLY 13 1HA GLY 13 -1.556 7.116 4.890 104 2HA GLY 13 2HA GLY 13 -2.950 7.687 3.991 105 H GLY 14 H GLY 14 -1.064 4.863 3.059 106 1HA GLY 14 1HA GLY 14 -1.720 2.703 2.677 107 2HA GLY 14 2HA GLY 14 -2.289 2.801 4.334 108 HA PRO 15 HA PRO 15 -6.173 1.480 2.481 109 1HB PRO 15 1HB PRO 15 -7.035 2.330 5.202 110 2HB PRO 15 2HB PRO 15 -7.412 0.856 4.321 111 1HG PRO 15 1HG PRO 15 -5.635 0.827 6.287 112 2HG PRO 15 2HG PRO 15 -5.338 -0.097 4.804 113 1HD PRO 15 1HD PRO 15 -4.152 2.501 5.684 114 2HD PRO 15 2HD PRO 15 -3.394 1.162 4.805 115 H SER 16 H SER 16 -5.815 4.451 4.389 116 HA SER 16 HA SER 16 -8.199 5.675 3.681 117 1HB SER 16 1HB SER 16 -6.458 6.412 5.420 118 2HB SER 16 2HB SER 16 -5.639 7.219 4.083 119 HG SER 16 HG SER 16 -7.170 8.684 4.019 120 H SER 17 H SER 17 -5.275 5.282 1.820 121 HA SER 17 HA SER 17 -5.380 7.315 -0.028 122 1HB SER 17 1HB SER 17 -4.144 5.892 -1.519 123 2HB SER 17 2HB SER 17 -3.636 5.501 0.122 124 HG SER 17 HG SER 17 -4.896 3.658 0.048 125 H GLY 18 H GLY 18 -7.220 4.276 -0.064 126 1HA GLY 18 1HA GLY 18 -9.594 4.829 -0.949 127 2HA GLY 18 2HA GLY 18 -8.710 5.215 -2.419 128 H ARG 19 H ARG 19 -6.806 3.179 -2.406 129 HA ARG 19 HA ARG 19 -8.467 0.932 -3.203 130 1HB ARG 19 1HB ARG 19 -6.457 0.046 -4.244 131 2HB ARG 19 2HB ARG 19 -6.675 1.728 -4.701 132 1HG ARG 19 1HG ARG 19 -4.687 2.280 -3.892 133 2HG ARG 19 2HG ARG 19 -5.038 1.520 -2.339 134 1HD ARG 19 1HD ARG 19 -4.227 -0.568 -3.057 135 2HD ARG 19 2HD ARG 19 -4.256 -0.089 -4.753 136 HE ARG 19 HE ARG 19 -2.169 0.408 -2.845 137 1HH1 ARG 19 1HH1 ARG 19 -3.624 1.512 -5.831 138 2HH1 ARG 19 2HH1 ARG 19 -2.187 2.305 -6.381 139 1HH2 ARG 19 1HH2 ARG 19 -0.278 1.459 -3.573 140 2HH2 ARG 19 2HH2 ARG 19 -0.287 2.274 -5.100 141 HA PRO 20 HA PRO 20 -7.739 -1.570 0.363 142 1HB PRO 20 1HB PRO 20 -7.558 -3.940 -1.362 143 2HB PRO 20 2HB PRO 20 -8.782 -3.520 -0.162 144 1HG PRO 20 1HG PRO 20 -9.299 -3.481 -2.804 145 2HG PRO 20 2HG PRO 20 -10.053 -2.338 -1.677 146 1HD PRO 20 1HD PRO 20 -7.745 -1.921 -3.542 147 2HD PRO 20 2HD PRO 20 -9.104 -0.839 -3.170 148 HA PRO 21 HA PRO 21 -3.472 -2.564 0.927 149 1HB PRO 21 1HB PRO 21 -3.574 -5.027 2.165 150 2HB PRO 21 2HB PRO 21 -3.828 -3.485 2.985 151 1HG PRO 21 1HG PRO 21 -5.843 -5.436 1.949 152 2HG PRO 21 2HG PRO 21 -5.851 -4.511 3.463 153 1HD PRO 21 1HD PRO 21 -7.346 -3.771 1.366 154 2HD PRO 21 2HD PRO 21 -6.570 -2.568 2.418 155 HA PRO 22 HA PRO 22 -2.493 -4.950 -2.739 156 1HB PRO 22 1HB PRO 22 0.293 -4.614 -1.807 157 2HB PRO 22 2HB PRO 22 -0.454 -4.108 -3.324 158 1HG PRO 22 1HG PRO 22 0.206 -2.328 -1.442 159 2HG PRO 22 2HG PRO 22 -1.260 -2.136 -2.422 160 1HD PRO 22 1HD PRO 22 -0.978 -3.137 0.386 161 2HD PRO 22 2HD PRO 22 -2.194 -2.043 -0.302 162 H SER 23 H SER 23 -3.437 -6.811 -1.500 163 HA SER 23 HA SER 23 -1.410 -8.858 -1.185 164 1HB SER 23 1HB SER 23 -2.479 -9.638 0.986 165 2HB SER 23 2HB SER 23 -1.525 -8.159 1.093 166 HG SER 23 HG SER 23 -3.321 -6.992 1.356 Start of MODEL 9 1 H ALA 1 H ALA 1 6.657 -7.752 -5.882 2 HA ALA 1 HA ALA 1 5.699 -8.747 -3.965 3 1HB ALA 1 1HB ALA 1 7.570 -6.494 -3.247 4 2HB ALA 1 2HB ALA 1 8.057 -8.035 -3.951 5 3HB ALA 1 3HB ALA 1 7.329 -7.990 -2.346 6 H LEU 2 H LEU 2 4.695 -8.558 -1.922 7 HA LEU 2 HA LEU 2 2.612 -6.620 -1.811 8 1HB LEU 2 1HB LEU 2 3.477 -8.417 0.449 9 2HB LEU 2 2HB LEU 2 1.893 -7.712 0.185 10 HG LEU 2 HG LEU 2 3.162 -9.854 -1.529 11 1HD1 LEU 2 1HD1 LEU 2 0.889 -10.029 0.443 12 2HD1 LEU 2 2HD1 LEU 2 2.520 -10.644 0.705 13 3HD1 LEU 2 3HD1 LEU 2 1.508 -11.340 -0.561 14 1HD2 LEU 2 1HD2 LEU 2 0.323 -8.866 -1.610 15 2HD2 LEU 2 2HD2 LEU 2 1.140 -9.938 -2.747 16 3HD2 LEU 2 3HD2 LEU 2 1.585 -8.233 -2.665 17 H GLN 3 H GLN 3 5.609 -7.095 0.033 18 HA GLN 3 HA GLN 3 5.212 -4.974 1.857 19 1HB GLN 3 1HB GLN 3 6.862 -6.888 2.069 20 2HB GLN 3 2HB GLN 3 7.883 -6.029 0.926 21 1HG GLN 3 1HG GLN 3 7.419 -4.078 2.733 22 2HG GLN 3 2HG GLN 3 7.363 -5.504 3.768 23 1HE2 GLN 3 1HE2 GLN 3 9.219 -6.782 3.995 24 2HE2 GLN 3 2HE2 GLN 3 10.787 -6.194 3.561 25 H GLU 4 H GLU 4 6.904 -5.147 -1.263 26 HA GLU 4 HA GLU 4 7.977 -2.555 -1.257 27 1HB GLU 4 1HB GLU 4 7.393 -4.604 -3.330 28 2HB GLU 4 2HB GLU 4 7.652 -2.957 -3.888 29 1HG GLU 4 1HG GLU 4 9.726 -4.137 -3.979 30 2HG GLU 4 2HG GLU 4 9.816 -2.935 -2.694 31 H LEU 5 H LEU 5 4.898 -3.768 -2.580 32 HA LEU 5 HA LEU 5 4.015 -1.241 -3.530 33 1HB LEU 5 1HB LEU 5 3.173 -3.818 -3.834 34 2HB LEU 5 2HB LEU 5 1.923 -3.146 -2.805 35 HG LEU 5 HG LEU 5 1.639 -3.059 -5.370 36 1HD1 LEU 5 1HD1 LEU 5 0.811 -1.330 -3.253 37 2HD1 LEU 5 2HD1 LEU 5 -0.074 -1.832 -4.692 38 3HD1 LEU 5 3HD1 LEU 5 0.966 -0.409 -4.749 39 1HD2 LEU 5 1HD2 LEU 5 2.642 -1.340 -6.572 40 2HD2 LEU 5 2HD2 LEU 5 3.962 -2.001 -5.607 41 3HD2 LEU 5 3HD2 LEU 5 3.171 -0.504 -5.112 42 H LEU 6 H LEU 6 3.833 -2.846 -0.433 43 HA LEU 6 HA LEU 6 1.738 -1.412 0.758 44 1HB LEU 6 1HB LEU 6 3.508 -3.359 1.521 45 2HB LEU 6 2HB LEU 6 3.960 -2.024 2.548 46 HG LEU 6 HG LEU 6 2.357 -3.534 3.638 47 1HD1 LEU 6 1HD1 LEU 6 2.353 -1.287 4.403 48 2HD1 LEU 6 2HD1 LEU 6 0.669 -1.789 4.256 49 3HD1 LEU 6 3HD1 LEU 6 1.391 -0.752 3.025 50 1HD2 LEU 6 1HD2 LEU 6 0.105 -3.769 2.869 51 2HD2 LEU 6 2HD2 LEU 6 1.185 -4.208 1.546 52 3HD2 LEU 6 3HD2 LEU 6 0.384 -2.637 1.547 53 H GLY 7 H GLY 7 5.245 -0.741 0.683 54 1HA GLY 7 1HA GLY 7 5.167 1.588 2.265 55 2HA GLY 7 2HA GLY 7 6.404 1.200 1.086 56 H GLN 8 H GLN 8 4.526 1.031 -1.137 57 HA GLN 8 HA GLN 8 4.467 3.835 -1.841 58 1HB GLN 8 1HB GLN 8 4.667 1.568 -3.325 59 2HB GLN 8 2HB GLN 8 2.948 1.895 -3.497 60 1HG GLN 8 1HG GLN 8 5.155 3.839 -4.138 61 2HG GLN 8 2HG GLN 8 4.293 2.850 -5.315 62 1HE2 GLN 8 1HE2 GLN 8 4.271 5.712 -3.450 63 2HE2 GLN 8 2HE2 GLN 8 2.731 6.310 -3.966 64 H TRP 9 H TRP 9 2.184 1.311 -1.041 65 HA TRP 9 HA TRP 9 -0.232 2.723 -1.327 66 1HB TRP 9 1HB TRP 9 0.002 0.264 -1.179 67 2HB TRP 9 2HB TRP 9 0.491 0.425 0.498 68 HD1 TRP 9 HD1 TRP 9 -2.542 1.966 -1.356 69 HE1 TRP 9 HE1 TRP 9 -4.658 1.356 -0.010 70 HE3 TRP 9 HE3 TRP 9 -0.372 -0.868 2.258 71 HZ2 TRP 9 HZ2 TRP 9 -5.295 -0.143 2.313 72 HZ3 TRP 9 HZ3 TRP 9 -1.783 -1.851 4.018 73 HH2 TRP 9 HH2 TRP 9 -4.194 -1.484 4.038 74 H LEU 10 H LEU 10 2.004 2.247 1.352 75 HA LEU 10 HA LEU 10 0.463 3.522 3.355 76 1HB LEU 10 1HB LEU 10 2.402 1.975 3.731 77 2HB LEU 10 2HB LEU 10 3.468 3.279 3.244 78 HG LEU 10 HG LEU 10 2.540 4.640 5.143 79 1HD1 LEU 10 1HD1 LEU 10 0.448 3.533 5.509 80 2HD1 LEU 10 2HD1 LEU 10 1.432 3.358 6.961 81 3HD1 LEU 10 3HD1 LEU 10 1.261 2.004 5.844 82 1HD2 LEU 10 1HD2 LEU 10 3.879 3.539 6.832 83 2HD2 LEU 10 2HD2 LEU 10 4.691 3.449 5.269 84 3HD2 LEU 10 3HD2 LEU 10 3.852 2.036 5.911 85 H LYS 11 H LYS 11 2.734 4.723 0.955 86 HA LYS 11 HA LYS 11 3.288 7.249 1.985 87 1HB LYS 11 1HB LYS 11 4.306 6.163 -0.061 88 2HB LYS 11 2HB LYS 11 2.860 6.635 -0.942 89 1HG LYS 11 1HG LYS 11 4.141 8.416 -1.461 90 2HG LYS 11 2HG LYS 11 3.515 9.011 0.078 91 1HD LYS 11 1HD LYS 11 5.601 7.805 1.076 92 2HD LYS 11 2HD LYS 11 6.218 7.907 -0.574 93 1HE LYS 11 1HE LYS 11 7.025 9.863 0.329 94 2HE LYS 11 2HE LYS 11 5.507 10.412 -0.376 95 1HZ LYS 11 1HZ LYS 11 5.950 9.713 2.477 96 2HZ LYS 11 2HZ LYS 11 4.474 10.200 1.812 97 3HZ LYS 11 3HZ LYS 11 5.778 11.276 1.851 98 H ASP 12 H ASP 12 0.452 6.065 0.268 99 HA ASP 12 HA ASP 12 -0.751 8.731 0.289 100 1HB ASP 12 1HB ASP 12 -0.778 7.187 -1.752 101 2HB ASP 12 2HB ASP 12 -1.953 6.214 -0.875 102 H GLY 13 H GLY 13 -0.341 7.221 2.784 103 1HA GLY 13 1HA GLY 13 -1.511 7.022 4.756 104 2HA GLY 13 2HA GLY 13 -2.942 7.592 3.914 105 H GLY 14 H GLY 14 -1.062 4.767 2.959 106 1HA GLY 14 1HA GLY 14 -1.724 2.605 2.590 107 2HA GLY 14 2HA GLY 14 -2.237 2.706 4.266 108 HA PRO 15 HA PRO 15 -6.168 1.347 2.538 109 1HB PRO 15 1HB PRO 15 -6.951 2.178 5.289 110 2HB PRO 15 2HB PRO 15 -7.334 0.700 4.417 111 1HG PRO 15 1HG PRO 15 -5.496 0.693 6.327 112 2HG PRO 15 2HG PRO 15 -5.237 -0.228 4.834 113 1HD PRO 15 1HD PRO 15 -4.051 2.383 5.676 114 2HD PRO 15 2HD PRO 15 -3.309 1.052 4.772 115 H SER 16 H SER 16 -5.824 4.286 4.511 116 HA SER 16 HA SER 16 -8.225 5.500 3.841 117 1HB SER 16 1HB SER 16 -6.469 6.202 5.593 118 2HB SER 16 2HB SER 16 -5.698 7.083 4.275 119 HG SER 16 HG SER 16 -7.263 8.509 4.302 120 H SER 17 H SER 17 -5.308 5.191 1.959 121 HA SER 17 HA SER 17 -5.411 7.280 0.188 122 1HB SER 17 1HB SER 17 -4.183 5.919 -1.353 123 2HB SER 17 2HB SER 17 -3.697 5.417 0.264 124 HG SER 17 HG SER 17 -4.954 3.598 0.064 125 H GLY 18 H GLY 18 -7.312 4.288 0.077 126 1HA GLY 18 1HA GLY 18 -9.675 4.915 -0.783 127 2HA GLY 18 2HA GLY 18 -8.790 5.317 -2.247 128 H ARG 19 H ARG 19 -6.924 3.245 -2.282 129 HA ARG 19 HA ARG 19 -8.651 1.022 -3.048 130 1HB ARG 19 1HB ARG 19 -6.716 0.157 -4.245 131 2HB ARG 19 2HB ARG 19 -6.994 1.837 -4.675 132 1HG ARG 19 1HG ARG 19 -4.984 2.462 -3.948 133 2HG ARG 19 2HG ARG 19 -5.145 1.548 -2.447 134 1HD ARG 19 1HD ARG 19 -4.567 -0.512 -3.677 135 2HD ARG 19 2HD ARG 19 -4.340 0.446 -5.139 136 HE ARG 19 HE ARG 19 -2.526 0.199 -2.926 137 1HH1 ARG 19 1HH1 ARG 19 -3.497 2.245 -5.601 138 2HH1 ARG 19 2HH1 ARG 19 -1.965 3.042 -5.704 139 1HH2 ARG 19 1HH2 ARG 19 -0.511 1.254 -3.072 140 2HH2 ARG 19 2HH2 ARG 19 -0.270 2.482 -4.269 141 HA PRO 20 HA PRO 20 -7.669 -1.472 0.464 142 1HB PRO 20 1HB PRO 20 -7.726 -3.840 -1.279 143 2HB PRO 20 2HB PRO 20 -8.798 -3.406 0.054 144 1HG PRO 20 1HG PRO 20 -9.613 -3.329 -2.507 145 2HG PRO 20 2HG PRO 20 -10.200 -2.174 -1.297 146 1HD PRO 20 1HD PRO 20 -8.118 -1.806 -3.419 147 2HD PRO 20 2HD PRO 20 -9.390 -0.688 -2.881 148 HA PRO 21 HA PRO 21 -3.408 -2.578 0.797 149 1HB PRO 21 1HB PRO 21 -4.246 -5.369 1.433 150 2HB PRO 21 2HB PRO 21 -3.155 -4.293 2.312 151 1HG PRO 21 1HG PRO 21 -5.649 -4.746 3.167 152 2HG PRO 21 2HG PRO 21 -4.883 -3.157 3.337 153 1HD PRO 21 1HD PRO 21 -7.007 -4.042 1.462 154 2HD PRO 21 2HD PRO 21 -6.705 -2.438 2.154 155 HA PRO 22 HA PRO 22 -2.399 -4.360 -3.150 156 1HB PRO 22 1HB PRO 22 0.287 -4.660 -2.794 157 2HB PRO 22 2HB PRO 22 -0.483 -3.104 -3.115 158 1HG PRO 22 1HG PRO 22 0.410 -4.272 -0.510 159 2HG PRO 22 2HG PRO 22 0.586 -2.613 -1.113 160 1HD PRO 22 1HD PRO 22 -1.329 -3.311 0.660 161 2HD PRO 22 2HD PRO 22 -1.582 -2.051 -0.562 162 H SER 23 H SER 23 -3.648 -6.298 -2.403 163 HA SER 23 HA SER 23 -2.228 -8.524 -1.291 164 1HB SER 23 1HB SER 23 -4.716 -8.112 -1.062 165 2HB SER 23 2HB SER 23 -4.876 -8.608 -2.747 166 HG SER 23 HG SER 23 -4.946 -10.555 -1.977 Start of MODEL 10 1 H ALA 1 H ALA 1 5.905 -9.042 -4.889 2 HA ALA 1 HA ALA 1 6.839 -6.879 -4.903 3 1HB ALA 1 1HB ALA 1 6.232 -5.190 -6.361 4 2HB ALA 1 2HB ALA 1 4.697 -5.953 -6.774 5 3HB ALA 1 3HB ALA 1 6.206 -6.610 -7.406 6 H LEU 2 H LEU 2 5.705 -7.845 -2.937 7 HA LEU 2 HA LEU 2 3.101 -6.597 -2.424 8 1HB LEU 2 1HB LEU 2 3.491 -9.058 -1.998 9 2HB LEU 2 2HB LEU 2 4.563 -8.585 -0.693 10 HG LEU 2 HG LEU 2 2.351 -7.199 0.005 11 1HD1 LEU 2 1HD1 LEU 2 0.872 -7.914 -1.659 12 2HD1 LEU 2 2HD1 LEU 2 0.470 -8.906 -0.257 13 3HD1 LEU 2 3HD1 LEU 2 1.434 -9.584 -1.568 14 1HD2 LEU 2 1HD2 LEU 2 2.914 -10.088 0.661 15 2HD2 LEU 2 2HD2 LEU 2 1.920 -8.983 1.612 16 3HD2 LEU 2 3HD2 LEU 2 3.650 -8.688 1.438 17 H GLN 3 H GLN 3 6.318 -6.942 -0.927 18 HA GLN 3 HA GLN 3 5.881 -5.218 1.243 19 1HB GLN 3 1HB GLN 3 8.392 -6.054 -0.199 20 2HB GLN 3 2HB GLN 3 8.427 -4.993 1.203 21 1HG GLN 3 1HG GLN 3 7.640 -6.663 2.634 22 2HG GLN 3 2HG GLN 3 7.072 -7.663 1.298 23 1HE2 GLN 3 1HE2 GLN 3 8.659 -8.711 -0.033 24 2HE2 GLN 3 2HE2 GLN 3 10.210 -9.108 0.623 25 H GLU 4 H GLU 4 7.312 -4.560 -1.956 26 HA GLU 4 HA GLU 4 7.779 -1.811 -1.478 27 1HB GLU 4 1HB GLU 4 8.125 -1.623 -3.892 28 2HB GLU 4 2HB GLU 4 8.960 -3.021 -3.236 29 1HG GLU 4 1HG GLU 4 8.054 -3.827 -5.198 30 2HG GLU 4 2HG GLU 4 6.882 -4.346 -3.991 31 H LEU 5 H LEU 5 4.901 -3.549 -2.256 32 HA LEU 5 HA LEU 5 3.503 -1.320 -3.415 33 1HB LEU 5 1HB LEU 5 3.100 -3.934 -3.622 34 2HB LEU 5 2HB LEU 5 2.057 -3.647 -2.244 35 HG LEU 5 HG LEU 5 1.816 -2.215 -4.890 36 1HD1 LEU 5 1HD1 LEU 5 0.627 -4.736 -3.856 37 2HD1 LEU 5 2HD1 LEU 5 1.122 -4.305 -5.492 38 3HD1 LEU 5 3HD1 LEU 5 -0.384 -3.667 -4.830 39 1HD2 LEU 5 1HD2 LEU 5 0.778 -0.779 -3.461 40 2HD2 LEU 5 2HD2 LEU 5 0.412 -2.038 -2.281 41 3HD2 LEU 5 3HD2 LEU 5 -0.558 -1.895 -3.748 42 H LEU 6 H LEU 6 3.590 -2.919 -0.251 43 HA LEU 6 HA LEU 6 1.545 -1.443 0.991 44 1HB LEU 6 1HB LEU 6 3.059 -3.513 1.701 45 2HB LEU 6 2HB LEU 6 3.882 -2.271 2.607 46 HG LEU 6 HG LEU 6 2.264 -3.372 4.024 47 1HD1 LEU 6 1HD1 LEU 6 1.177 -0.663 3.285 48 2HD1 LEU 6 2HD1 LEU 6 2.633 -0.916 4.248 49 3HD1 LEU 6 3HD1 LEU 6 1.072 -1.477 4.846 50 1HD2 LEU 6 1HD2 LEU 6 0.756 -4.193 2.295 51 2HD2 LEU 6 2HD2 LEU 6 0.200 -2.549 1.987 52 3HD2 LEU 6 3HD2 LEU 6 -0.127 -3.313 3.541 53 H GLY 7 H GLY 7 5.056 -0.890 0.836 54 1HA GLY 7 1HA GLY 7 5.073 1.425 2.464 55 2HA GLY 7 2HA GLY 7 6.301 0.986 1.294 56 H GLN 8 H GLN 8 4.352 0.879 -0.905 57 HA GLN 8 HA GLN 8 4.417 3.698 -1.603 58 1HB GLN 8 1HB GLN 8 4.762 1.626 -3.172 59 2HB GLN 8 2HB GLN 8 3.005 1.595 -3.225 60 1HG GLN 8 1HG GLN 8 3.753 2.804 -5.118 61 2HG GLN 8 2HG GLN 8 3.068 3.972 -3.990 62 1HE2 GLN 8 1HE2 GLN 8 4.393 5.482 -3.023 63 2HE2 GLN 8 2HE2 GLN 8 6.032 5.741 -3.513 64 H TRP 9 H TRP 9 2.113 1.228 -0.768 65 HA TRP 9 HA TRP 9 -0.296 2.650 -1.129 66 1HB TRP 9 1HB TRP 9 -0.047 0.179 -0.917 67 2HB TRP 9 2HB TRP 9 0.352 0.396 0.778 68 HD1 TRP 9 HD1 TRP 9 -2.568 1.859 -1.304 69 HE1 TRP 9 HE1 TRP 9 -4.760 1.305 -0.060 70 HE3 TRP 9 HE3 TRP 9 -0.618 -0.800 2.563 71 HZ2 TRP 9 HZ2 TRP 9 -5.533 -0.085 2.288 72 HZ3 TRP 9 HZ3 TRP 9 -2.132 -1.699 4.280 73 HH2 TRP 9 HH2 TRP 9 -4.539 -1.334 4.140 74 H LEU 10 H LEU 10 1.918 2.207 1.570 75 HA LEU 10 HA LEU 10 0.351 3.589 3.508 76 1HB LEU 10 1HB LEU 10 2.232 1.918 3.915 77 2HB LEU 10 2HB LEU 10 3.340 3.234 3.580 78 HG LEU 10 HG LEU 10 1.316 3.886 5.601 79 1HD1 LEU 10 1HD1 LEU 10 2.314 2.557 7.371 80 2HD1 LEU 10 2HD1 LEU 10 3.380 1.773 6.205 81 3HD1 LEU 10 3HD1 LEU 10 1.637 1.514 6.120 82 1HD2 LEU 10 1HD2 LEU 10 3.218 5.326 5.086 83 2HD2 LEU 10 2HD2 LEU 10 4.329 4.035 5.546 84 3HD2 LEU 10 3HD2 LEU 10 3.279 4.768 6.758 85 H LYS 11 H LYS 11 2.867 4.559 1.235 86 HA LYS 11 HA LYS 11 3.501 7.082 2.209 87 1HB LYS 11 1HB LYS 11 4.467 5.753 0.193 88 2HB LYS 11 2HB LYS 11 3.220 6.567 -0.739 89 1HG LYS 11 1HG LYS 11 4.151 8.684 -0.342 90 2HG LYS 11 2HG LYS 11 5.172 8.079 0.966 91 1HD LYS 11 1HD LYS 11 6.382 6.691 -0.717 92 2HD LYS 11 2HD LYS 11 5.441 7.487 -1.979 93 1HE LYS 11 1HE LYS 11 6.347 9.650 -1.295 94 2HE LYS 11 2HE LYS 11 7.271 8.866 -0.015 95 1HZ LYS 11 1HZ LYS 11 8.637 9.308 -1.958 96 2HZ LYS 11 2HZ LYS 11 7.605 8.383 -2.928 97 3HZ LYS 11 3HZ LYS 11 8.498 7.642 -1.697 98 H ASP 12 H ASP 12 0.842 6.098 0.073 99 HA ASP 12 HA ASP 12 -0.196 8.742 -0.251 100 1HB ASP 12 1HB ASP 12 -0.538 6.680 -1.774 101 2HB ASP 12 2HB ASP 12 -1.796 6.217 -0.635 102 H GLY 13 H GLY 13 -0.892 6.024 1.889 103 1HA GLY 13 1HA GLY 13 -1.580 7.022 4.179 104 2HA GLY 13 2HA GLY 13 -2.960 7.604 3.261 105 H GLY 14 H GLY 14 -1.273 4.482 3.089 106 1HA GLY 14 1HA GLY 14 -2.108 2.353 3.039 107 2HA GLY 14 2HA GLY 14 -2.770 2.836 4.592 108 HA PRO 15 HA PRO 15 -6.516 1.308 2.524 109 1HB PRO 15 1HB PRO 15 -7.483 2.254 5.178 110 2HB PRO 15 2HB PRO 15 -7.842 0.757 4.328 111 1HG PRO 15 1HG PRO 15 -6.148 0.771 6.369 112 2HG PRO 15 2HG PRO 15 -5.808 -0.209 4.931 113 1HD PRO 15 1HD PRO 15 -4.598 2.390 5.775 114 2HD PRO 15 2HD PRO 15 -3.848 1.013 4.951 115 H SER 16 H SER 16 -6.241 4.322 4.390 116 HA SER 16 HA SER 16 -8.567 5.518 3.362 117 1HB SER 16 1HB SER 16 -7.183 6.183 5.433 118 2HB SER 16 2HB SER 16 -6.182 7.096 4.303 119 HG SER 16 HG SER 16 -7.761 8.494 4.011 120 H SER 17 H SER 17 -5.376 5.187 2.020 121 HA SER 17 HA SER 17 -5.080 7.321 0.338 122 1HB SER 17 1HB SER 17 -3.698 5.947 -1.050 123 2HB SER 17 2HB SER 17 -3.505 5.360 0.600 124 HG SER 17 HG SER 17 -4.323 4.020 -1.556 125 H GLY 18 H GLY 18 -6.938 4.363 -0.373 126 1HA GLY 18 1HA GLY 18 -9.129 5.377 -1.568 127 2HA GLY 18 2HA GLY 18 -7.939 5.470 -2.858 128 H ARG 19 H ARG 19 -6.513 3.089 -2.149 129 HA ARG 19 HA ARG 19 -8.475 1.079 -3.021 130 1HB ARG 19 1HB ARG 19 -6.568 -0.135 -3.966 131 2HB ARG 19 2HB ARG 19 -6.649 1.502 -4.601 132 1HG ARG 19 1HG ARG 19 -4.539 1.803 -4.006 133 2HG ARG 19 2HG ARG 19 -5.013 1.622 -2.318 134 1HD ARG 19 1HD ARG 19 -3.503 -0.067 -2.414 135 2HD ARG 19 2HD ARG 19 -4.917 -0.953 -2.977 136 HE ARG 19 HE ARG 19 -3.520 0.226 -5.149 137 1HH1 ARG 19 1HH1 ARG 19 -3.380 -2.456 -2.902 138 2HH1 ARG 19 2HH1 ARG 19 -2.471 -3.466 -3.974 139 1HH2 ARG 19 1HH2 ARG 19 -2.321 -1.109 -6.558 140 2HH2 ARG 19 2HH2 ARG 19 -1.870 -2.703 -6.050 141 HA PRO 20 HA PRO 20 -7.868 -1.279 0.674 142 1HB PRO 20 1HB PRO 20 -7.968 -3.791 -0.805 143 2HB PRO 20 2HB PRO 20 -9.174 -3.090 0.276 144 1HG PRO 20 1HG PRO 20 -9.548 -3.302 -2.401 145 2HG PRO 20 2HG PRO 20 -10.262 -2.004 -1.427 146 1HD PRO 20 1HD PRO 20 -7.833 -1.941 -3.180 147 2HD PRO 20 2HD PRO 20 -9.118 -0.728 -2.989 148 HA PRO 21 HA PRO 21 -3.734 -2.686 1.332 149 1HB PRO 21 1HB PRO 21 -4.748 -5.325 2.246 150 2HB PRO 21 2HB PRO 21 -3.696 -4.171 3.073 151 1HG PRO 21 1HG PRO 21 -6.262 -4.467 3.773 152 2HG PRO 21 2HG PRO 21 -5.466 -2.885 3.814 153 1HD PRO 21 1HD PRO 21 -7.423 -3.973 1.850 154 2HD PRO 21 2HD PRO 21 -7.208 -2.310 2.429 155 HA PRO 22 HA PRO 22 -2.692 -4.997 -2.317 156 1HB PRO 22 1HB PRO 22 -0.047 -5.401 -1.792 157 2HB PRO 22 2HB PRO 22 -0.704 -3.866 -2.367 158 1HG PRO 22 1HG PRO 22 0.026 -4.693 0.410 159 2HG PRO 22 2HG PRO 22 0.300 -3.144 -0.406 160 1HD PRO 22 1HD PRO 22 -1.709 -3.527 1.371 161 2HD PRO 22 2HD PRO 22 -1.846 -2.409 0.001 162 H SER 23 H SER 23 -1.988 -6.200 0.895 163 HA SER 23 HA SER 23 -1.353 -8.867 0.046 164 1HB SER 23 1HB SER 23 -1.555 -9.377 2.520 165 2HB SER 23 2HB SER 23 -0.372 -8.138 2.104 166 HG SER 23 HG SER 23 -2.255 -7.887 3.837 Start of MODEL 11 1 H ALA 1 H ALA 1 4.928 -9.078 -5.746 2 HA ALA 1 HA ALA 1 5.707 -7.919 -3.829 3 1HB ALA 1 1HB ALA 1 4.487 -6.246 -6.017 4 2HB ALA 1 2HB ALA 1 6.129 -6.885 -5.932 5 3HB ALA 1 3HB ALA 1 5.617 -5.617 -4.819 6 H LEU 2 H LEU 2 4.520 -8.204 -1.930 7 HA LEU 2 HA LEU 2 2.132 -6.576 -1.528 8 1HB LEU 2 1HB LEU 2 2.872 -9.082 -0.629 9 2HB LEU 2 2HB LEU 2 3.125 -8.070 0.780 10 HG LEU 2 HG LEU 2 0.532 -8.163 -0.760 11 1HD1 LEU 2 1HD1 LEU 2 -0.311 -9.554 1.076 12 2HD1 LEU 2 2HD1 LEU 2 1.316 -9.636 1.750 13 3HD1 LEU 2 3HD1 LEU 2 0.977 -10.356 0.176 14 1HD2 LEU 2 1HD2 LEU 2 1.302 -7.010 1.917 15 2HD2 LEU 2 2HD2 LEU 2 -0.356 -7.160 1.333 16 3HD2 LEU 2 3HD2 LEU 2 0.789 -6.124 0.481 17 H GLN 3 H GLN 3 5.240 -7.123 0.147 18 HA GLN 3 HA GLN 3 4.971 -4.887 1.873 19 1HB GLN 3 1HB GLN 3 7.399 -6.490 1.057 20 2HB GLN 3 2HB GLN 3 7.416 -5.251 2.305 21 1HG GLN 3 1HG GLN 3 5.300 -7.146 2.775 22 2HG GLN 3 2HG GLN 3 6.854 -7.961 2.611 23 1HE2 GLN 3 1HE2 GLN 3 8.436 -7.640 4.145 24 2HE2 GLN 3 2HE2 GLN 3 8.139 -6.828 5.644 25 H GLU 4 H GLU 4 6.611 -5.362 -1.232 26 HA GLU 4 HA GLU 4 7.991 -2.932 -1.347 27 1HB GLU 4 1HB GLU 4 6.833 -4.584 -3.600 28 2HB GLU 4 2HB GLU 4 7.976 -3.267 -3.815 29 1HG GLU 4 1HG GLU 4 9.712 -4.560 -3.322 30 2HG GLU 4 2HG GLU 4 8.918 -5.221 -1.892 31 H LEU 5 H LEU 5 4.757 -3.765 -2.596 32 HA LEU 5 HA LEU 5 4.202 -1.111 -3.495 33 1HB LEU 5 1HB LEU 5 3.124 -3.530 -4.035 34 2HB LEU 5 2HB LEU 5 1.938 -2.913 -2.903 35 HG LEU 5 HG LEU 5 2.806 -1.389 -5.354 36 1HD1 LEU 5 1HD1 LEU 5 1.836 -3.513 -6.046 37 2HD1 LEU 5 2HD1 LEU 5 0.750 -2.172 -6.411 38 3HD1 LEU 5 3HD1 LEU 5 0.430 -3.215 -5.025 39 1HD2 LEU 5 1HD2 LEU 5 0.645 -1.072 -3.303 40 2HD2 LEU 5 2HD2 LEU 5 0.479 -0.377 -4.915 41 3HD2 LEU 5 3HD2 LEU 5 1.819 0.112 -3.877 42 H LEU 6 H LEU 6 3.797 -2.801 -0.475 43 HA LEU 6 HA LEU 6 1.779 -1.329 0.749 44 1HB LEU 6 1HB LEU 6 3.645 -3.244 1.494 45 2HB LEU 6 2HB LEU 6 3.932 -1.914 2.584 46 HG LEU 6 HG LEU 6 2.361 -3.644 3.460 47 1HD1 LEU 6 1HD1 LEU 6 0.597 -1.970 4.152 48 2HD1 LEU 6 2HD1 LEU 6 1.430 -0.808 3.119 49 3HD1 LEU 6 3HD1 LEU 6 2.270 -1.528 4.491 50 1HD2 LEU 6 1HD2 LEU 6 0.139 -3.825 2.594 51 2HD2 LEU 6 2HD2 LEU 6 1.267 -4.107 1.268 52 3HD2 LEU 6 3HD2 LEU 6 0.443 -2.554 1.409 53 H GLY 7 H GLY 7 5.259 -0.629 0.533 54 1HA GLY 7 1HA GLY 7 5.234 1.655 2.199 55 2HA GLY 7 2HA GLY 7 6.435 1.295 0.975 56 H GLN 8 H GLN 8 4.513 1.174 -1.196 57 HA GLN 8 HA GLN 8 4.403 4.002 -1.807 58 1HB GLN 8 1HB GLN 8 4.904 2.313 -3.557 59 2HB GLN 8 2HB GLN 8 3.295 1.640 -3.352 60 1HG GLN 8 1HG GLN 8 3.570 3.142 -5.324 61 2HG GLN 8 2HG GLN 8 2.270 3.593 -4.224 62 1HE2 GLN 8 1HE2 GLN 8 5.643 4.293 -5.026 63 2HE2 GLN 8 2HE2 GLN 8 5.588 5.962 -4.574 64 H TRP 9 H TRP 9 2.194 1.405 -1.047 65 HA TRP 9 HA TRP 9 -0.261 2.758 -1.290 66 1HB TRP 9 1HB TRP 9 0.031 0.303 -1.183 67 2HB TRP 9 2HB TRP 9 0.537 0.448 0.490 68 HD1 TRP 9 HD1 TRP 9 -2.555 1.904 -1.336 69 HE1 TRP 9 HE1 TRP 9 -4.642 1.249 0.036 70 HE3 TRP 9 HE3 TRP 9 -0.274 -0.829 2.290 71 HZ2 TRP 9 HZ2 TRP 9 -5.214 -0.242 2.383 72 HZ3 TRP 9 HZ3 TRP 9 -1.641 -1.829 4.073 73 HH2 TRP 9 HH2 TRP 9 -4.061 -1.528 4.112 74 H LEU 10 H LEU 10 2.019 2.296 1.350 75 HA LEU 10 HA LEU 10 0.457 3.532 3.377 76 1HB LEU 10 1HB LEU 10 2.395 1.955 3.717 77 2HB LEU 10 2HB LEU 10 3.460 3.289 3.312 78 HG LEU 10 HG LEU 10 2.461 4.558 5.243 79 1HD1 LEU 10 1HD1 LEU 10 0.384 3.385 5.507 80 2HD1 LEU 10 2HD1 LEU 10 1.337 3.184 6.977 81 3HD1 LEU 10 3HD1 LEU 10 1.229 1.867 5.810 82 1HD2 LEU 10 1HD2 LEU 10 3.783 3.406 6.917 83 2HD2 LEU 10 2HD2 LEU 10 4.632 3.410 5.370 84 3HD2 LEU 10 3HD2 LEU 10 3.812 1.950 5.923 85 H LYS 11 H LYS 11 2.749 4.752 1.005 86 HA LYS 11 HA LYS 11 3.267 7.271 2.119 87 1HB LYS 11 1HB LYS 11 3.352 6.133 -0.639 88 2HB LYS 11 2HB LYS 11 3.435 7.880 -0.464 89 1HG LYS 11 1HG LYS 11 5.447 7.782 0.722 90 2HG LYS 11 2HG LYS 11 5.264 6.060 1.063 91 1HD LYS 11 1HD LYS 11 6.881 6.148 -0.629 92 2HD LYS 11 2HD LYS 11 5.388 5.733 -1.474 93 1HE LYS 11 1HE LYS 11 5.174 7.855 -2.399 94 2HE LYS 11 2HE LYS 11 6.231 8.593 -1.195 95 1HZ LYS 11 1HZ LYS 11 7.235 8.354 -3.436 96 2HZ LYS 11 2HZ LYS 11 7.170 6.674 -3.257 97 3HZ LYS 11 3HZ LYS 11 8.125 7.599 -2.210 98 H ASP 12 H ASP 12 0.517 6.034 0.350 99 HA ASP 12 HA ASP 12 -0.708 8.688 0.223 100 1HB ASP 12 1HB ASP 12 -0.642 6.871 -1.688 101 2HB ASP 12 2HB ASP 12 -2.029 6.212 -0.829 102 H GLY 13 H GLY 13 -0.349 7.200 2.776 103 1HA GLY 13 1HA GLY 13 -1.575 7.088 4.725 104 2HA GLY 13 2HA GLY 13 -2.986 7.617 3.823 105 H GLY 14 H GLY 14 -1.040 4.772 3.061 106 1HA GLY 14 1HA GLY 14 -1.673 2.593 2.732 107 2HA GLY 14 2HA GLY 14 -2.237 2.747 4.387 108 HA PRO 15 HA PRO 15 -6.076 1.253 2.549 109 1HB PRO 15 1HB PRO 15 -6.942 2.066 5.279 110 2HB PRO 15 2HB PRO 15 -7.272 0.581 4.400 111 1HG PRO 15 1HG PRO 15 -5.476 0.618 6.352 112 2HG PRO 15 2HG PRO 15 -5.164 -0.299 4.866 113 1HD PRO 15 1HD PRO 15 -4.052 2.337 5.731 114 2HD PRO 15 2HD PRO 15 -3.265 1.025 4.838 115 H SER 16 H SER 16 -5.794 4.235 4.456 116 HA SER 16 HA SER 16 -8.237 5.365 3.722 117 1HB SER 16 1HB SER 16 -6.567 6.117 5.542 118 2HB SER 16 2HB SER 16 -5.782 7.027 4.250 119 HG SER 16 HG SER 16 -7.421 8.380 4.188 120 H SER 17 H SER 17 -5.304 5.038 1.906 121 HA SER 17 HA SER 17 -5.316 7.143 0.148 122 1HB SER 17 1HB SER 17 -4.157 5.710 -1.423 123 2HB SER 17 2HB SER 17 -3.631 5.294 0.207 124 HG SER 17 HG SER 17 -4.355 3.572 -1.438 125 H GLY 18 H GLY 18 -7.339 4.243 0.037 126 1HA GLY 18 1HA GLY 18 -9.650 4.949 -0.894 127 2HA GLY 18 2HA GLY 18 -8.715 5.279 -2.347 128 H ARG 19 H ARG 19 -6.927 3.138 -2.253 129 HA ARG 19 HA ARG 19 -8.717 0.933 -2.961 130 1HB ARG 19 1HB ARG 19 -6.792 0.003 -4.161 131 2HB ARG 19 2HB ARG 19 -7.120 1.651 -4.673 132 1HG ARG 19 1HG ARG 19 -5.223 2.490 -3.632 133 2HG ARG 19 2HG ARG 19 -5.080 1.100 -2.555 134 1HD ARG 19 1HD ARG 19 -3.521 0.370 -3.980 135 2HD ARG 19 2HD ARG 19 -4.870 -0.049 -5.034 136 HE ARG 19 HE ARG 19 -3.042 2.193 -5.326 137 1HH1 ARG 19 1HH1 ARG 19 -5.989 0.639 -6.418 138 2HH1 ARG 19 2HH1 ARG 19 -6.018 1.487 -7.925 139 1HH2 ARG 19 1HH2 ARG 19 -3.093 3.304 -7.315 140 2HH2 ARG 19 2HH2 ARG 19 -4.377 2.998 -8.435 141 HA PRO 20 HA PRO 20 -7.550 -1.508 0.531 142 1HB PRO 20 1HB PRO 20 -7.686 -4.020 -0.476 143 2HB PRO 20 2HB PRO 20 -9.123 -3.038 -0.166 144 1HG PRO 20 1HG PRO 20 -7.683 -3.527 -2.745 145 2HG PRO 20 2HG PRO 20 -9.427 -3.510 -2.423 146 1HD PRO 20 1HD PRO 20 -8.120 -1.407 -3.528 147 2HD PRO 20 2HD PRO 20 -9.544 -1.212 -2.487 148 HA PRO 21 HA PRO 21 -3.284 -2.598 0.814 149 1HB PRO 21 1HB PRO 21 -4.063 -5.418 1.390 150 2HB PRO 21 2HB PRO 21 -2.984 -4.341 2.282 151 1HG PRO 21 1HG PRO 21 -5.456 -4.855 3.154 152 2HG PRO 21 2HG PRO 21 -4.726 -3.252 3.341 153 1HD PRO 21 1HD PRO 21 -6.839 -4.162 1.463 154 2HD PRO 21 2HD PRO 21 -6.584 -2.565 2.190 155 HA PRO 22 HA PRO 22 -2.368 -4.340 -3.189 156 1HB PRO 22 1HB PRO 22 0.322 -4.115 -3.097 157 2HB PRO 22 2HB PRO 22 -0.735 -2.713 -3.293 158 1HG PRO 22 1HG PRO 22 0.619 -3.736 -0.828 159 2HG PRO 22 2HG PRO 22 0.445 -2.067 -1.399 160 1HD PRO 22 1HD PRO 22 -1.136 -3.158 0.533 161 2HD PRO 22 2HD PRO 22 -1.680 -1.870 -0.555 162 H SER 23 H SER 23 -3.179 -6.422 -2.064 163 HA SER 23 HA SER 23 -0.952 -8.328 -1.898 164 1HB SER 23 1HB SER 23 -2.510 -9.688 -0.405 165 2HB SER 23 2HB SER 23 -1.842 -8.218 0.301 166 HG SER 23 HG SER 23 -3.773 -7.291 0.252 Start of MODEL 12 1 H ALA 1 H ALA 1 5.367 -6.120 -6.840 2 HA ALA 1 HA ALA 1 6.207 -7.982 -4.720 3 1HB ALA 1 1HB ALA 1 8.047 -6.611 -5.528 4 2HB ALA 1 2HB ALA 1 7.552 -6.099 -3.915 5 3HB ALA 1 3HB ALA 1 7.071 -5.156 -5.326 6 H LEU 2 H LEU 2 4.483 -8.190 -3.424 7 HA LEU 2 HA LEU 2 2.486 -6.168 -3.122 8 1HB LEU 2 1HB LEU 2 2.999 -8.641 -1.465 9 2HB LEU 2 2HB LEU 2 1.560 -7.645 -1.382 10 HG LEU 2 HG LEU 2 2.450 -9.290 -3.753 11 1HD1 LEU 2 1HD1 LEU 2 1.562 -10.635 -1.934 12 2HD1 LEU 2 2HD1 LEU 2 0.431 -10.593 -3.286 13 3HD1 LEU 2 3HD1 LEU 2 0.130 -9.609 -1.854 14 1HD2 LEU 2 1HD2 LEU 2 0.055 -8.642 -4.504 15 2HD2 LEU 2 2HD2 LEU 2 1.374 -7.496 -4.745 16 3HD2 LEU 2 3HD2 LEU 2 0.258 -7.284 -3.396 17 H GLN 3 H GLN 3 5.124 -7.363 -1.051 18 HA GLN 3 HA GLN 3 4.610 -5.707 1.163 19 1HB GLN 3 1HB GLN 3 6.568 -7.614 0.421 20 2HB GLN 3 2HB GLN 3 7.433 -6.153 0.875 21 1HG GLN 3 1HG GLN 3 7.291 -7.105 2.917 22 2HG GLN 3 2HG GLN 3 5.748 -6.253 2.923 23 1HE2 GLN 3 1HE2 GLN 3 7.309 -9.270 3.090 24 2HE2 GLN 3 2HE2 GLN 3 5.895 -10.265 3.129 25 H GLU 4 H GLU 4 6.646 -5.226 -1.704 26 HA GLU 4 HA GLU 4 7.741 -2.739 -0.939 27 1HB GLU 4 1HB GLU 4 8.457 -4.321 -2.849 28 2HB GLU 4 2HB GLU 4 7.209 -3.523 -3.796 29 1HG GLU 4 1HG GLU 4 8.318 -1.363 -3.388 30 2HG GLU 4 2HG GLU 4 9.594 -2.209 -2.515 31 H LEU 5 H LEU 5 4.786 -3.630 -2.658 32 HA LEU 5 HA LEU 5 3.997 -1.049 -3.461 33 1HB LEU 5 1HB LEU 5 3.058 -3.456 -4.023 34 2HB LEU 5 2HB LEU 5 1.963 -3.098 -2.702 35 HG LEU 5 HG LEU 5 2.292 -1.338 -5.133 36 1HD1 LEU 5 1HD1 LEU 5 1.416 -3.549 -5.743 37 2HD1 LEU 5 2HD1 LEU 5 0.208 -2.279 -5.933 38 3HD1 LEU 5 3HD1 LEU 5 0.137 -3.362 -4.543 39 1HD2 LEU 5 1HD2 LEU 5 -0.092 -0.694 -4.210 40 2HD2 LEU 5 2HD2 LEU 5 1.371 0.053 -3.567 41 3HD2 LEU 5 3HD2 LEU 5 0.595 -1.265 -2.688 42 H LEU 6 H LEU 6 3.639 -2.790 -0.428 43 HA LEU 6 HA LEU 6 1.665 -1.320 0.845 44 1HB LEU 6 1HB LEU 6 3.167 -3.354 1.553 45 2HB LEU 6 2HB LEU 6 4.079 -2.124 2.386 46 HG LEU 6 HG LEU 6 2.499 -3.192 3.897 47 1HD1 LEU 6 1HD1 LEU 6 1.594 -1.264 4.874 48 2HD1 LEU 6 2HD1 LEU 6 1.424 -0.449 3.320 49 3HD1 LEU 6 3HD1 LEU 6 3.026 -0.705 4.011 50 1HD2 LEU 6 1HD2 LEU 6 0.102 -3.021 3.574 51 2HD2 LEU 6 2HD2 LEU 6 0.844 -3.873 2.219 52 3HD2 LEU 6 3HD2 LEU 6 0.349 -2.191 2.039 53 H GLY 7 H GLY 7 5.179 -0.679 0.799 54 1HA GLY 7 1HA GLY 7 5.103 1.635 2.396 55 2HA GLY 7 2HA GLY 7 6.349 1.251 1.228 56 H GLN 8 H GLN 8 4.418 1.102 -0.981 57 HA GLN 8 HA GLN 8 4.394 3.925 -1.658 58 1HB GLN 8 1HB GLN 8 4.274 1.437 -3.091 59 2HB GLN 8 2HB GLN 8 2.889 2.418 -3.549 60 1HG GLN 8 1HG GLN 8 4.723 2.812 -5.058 61 2HG GLN 8 2HG GLN 8 4.395 4.266 -4.115 62 1HE2 GLN 8 1HE2 GLN 8 5.946 5.068 -2.774 63 2HE2 GLN 8 2HE2 GLN 8 7.542 4.409 -2.649 64 H TRP 9 H TRP 9 2.171 1.392 -0.811 65 HA TRP 9 HA TRP 9 -0.284 2.727 -1.172 66 1HB TRP 9 1HB TRP 9 0.037 0.272 -0.950 67 2HB TRP 9 2HB TRP 9 0.473 0.503 0.733 68 HD1 TRP 9 HD1 TRP 9 -2.546 1.738 -1.346 69 HE1 TRP 9 HE1 TRP 9 -4.688 1.166 -0.024 70 HE3 TRP 9 HE3 TRP 9 -0.400 -0.552 2.651 71 HZ2 TRP 9 HZ2 TRP 9 -5.350 -0.094 2.433 72 HZ3 TRP 9 HZ3 TRP 9 -1.837 -1.399 4.456 73 HH2 TRP 9 HH2 TRP 9 -4.261 -1.164 4.343 74 H LEU 10 H LEU 10 1.933 2.357 1.538 75 HA LEU 10 HA LEU 10 0.330 3.703 3.466 76 1HB LEU 10 1HB LEU 10 2.539 2.153 3.608 77 2HB LEU 10 2HB LEU 10 3.267 3.736 3.801 78 HG LEU 10 HG LEU 10 2.761 2.633 5.952 79 1HD1 LEU 10 1HD1 LEU 10 1.998 4.550 7.033 80 2HD1 LEU 10 2HD1 LEU 10 0.976 5.024 5.677 81 3HD1 LEU 10 3HD1 LEU 10 2.730 5.162 5.550 82 1HD2 LEU 10 1HD2 LEU 10 0.657 1.521 5.048 83 2HD2 LEU 10 2HD2 LEU 10 -0.147 3.064 5.334 84 3HD2 LEU 10 3HD2 LEU 10 0.572 2.182 6.680 85 H LYS 11 H LYS 11 2.837 4.755 1.211 86 HA LYS 11 HA LYS 11 3.373 7.297 2.183 87 1HB LYS 11 1HB LYS 11 3.405 6.085 -0.553 88 2HB LYS 11 2HB LYS 11 3.643 7.818 -0.386 89 1HG LYS 11 1HG LYS 11 5.276 6.035 1.331 90 2HG LYS 11 2HG LYS 11 5.660 6.106 -0.390 91 1HD LYS 11 1HD LYS 11 5.255 8.670 1.063 92 2HD LYS 11 2HD LYS 11 6.749 7.776 1.356 93 1HE LYS 11 1HE LYS 11 7.525 8.835 -0.456 94 2HE LYS 11 2HE LYS 11 6.548 7.689 -1.371 95 1HZ LYS 11 1HZ LYS 11 4.763 9.277 -1.451 96 2HZ LYS 11 2HZ LYS 11 6.173 10.009 -2.030 97 3HZ LYS 11 3HZ LYS 11 5.616 10.363 -0.473 98 H ASP 12 H ASP 12 0.750 6.234 0.038 99 HA ASP 12 HA ASP 12 -0.371 8.843 -0.280 100 1HB ASP 12 1HB ASP 12 -0.672 6.799 -1.813 101 2HB ASP 12 2HB ASP 12 -1.874 6.253 -0.651 102 H GLY 13 H GLY 13 -1.018 6.092 1.841 103 1HA GLY 13 1HA GLY 13 -1.707 7.102 4.144 104 2HA GLY 13 2HA GLY 13 -3.116 7.612 3.227 105 H GLY 14 H GLY 14 -1.295 4.565 3.083 106 1HA GLY 14 1HA GLY 14 -2.054 2.402 3.049 107 2HA GLY 14 2HA GLY 14 -2.693 2.869 4.615 108 HA PRO 15 HA PRO 15 -6.455 1.219 2.708 109 1HB PRO 15 1HB PRO 15 -7.410 2.248 5.334 110 2HB PRO 15 2HB PRO 15 -7.731 0.703 4.555 111 1HG PRO 15 1HG PRO 15 -6.011 0.857 6.567 112 2HG PRO 15 2HG PRO 15 -5.656 -0.168 5.164 113 1HD PRO 15 1HD PRO 15 -4.540 2.513 5.877 114 2HD PRO 15 2HD PRO 15 -3.739 1.125 5.124 115 H SER 16 H SER 16 -6.307 4.305 4.497 116 HA SER 16 HA SER 16 -8.661 5.364 3.367 117 1HB SER 16 1HB SER 16 -8.153 7.366 4.484 118 2HB SER 16 2HB SER 16 -7.394 6.128 5.483 119 HG SER 16 HG SER 16 -6.249 8.123 3.951 120 H SER 17 H SER 17 -5.479 5.057 2.076 121 HA SER 17 HA SER 17 -5.216 7.216 0.379 122 1HB SER 17 1HB SER 17 -3.663 5.935 -0.855 123 2HB SER 17 2HB SER 17 -3.589 5.269 0.774 124 HG SER 17 HG SER 17 -4.754 3.516 0.107 125 H GLY 18 H GLY 18 -7.185 4.318 -0.046 126 1HA GLY 18 1HA GLY 18 -9.282 5.032 -1.390 127 2HA GLY 18 2HA GLY 18 -8.098 5.295 -2.664 128 H ARG 19 H ARG 19 -6.414 3.118 -2.218 129 HA ARG 19 HA ARG 19 -8.120 0.935 -3.162 130 1HB ARG 19 1HB ARG 19 -6.074 -0.060 -4.028 131 2HB ARG 19 2HB ARG 19 -6.208 1.607 -4.568 132 1HG ARG 19 1HG ARG 19 -4.479 2.326 -3.205 133 2HG ARG 19 2HG ARG 19 -4.623 0.940 -2.122 134 1HD ARG 19 1HD ARG 19 -3.871 0.489 -4.972 135 2HD ARG 19 2HD ARG 19 -2.657 1.101 -3.852 136 HE ARG 19 HE ARG 19 -2.772 -0.916 -2.650 137 1HH1 ARG 19 1HH1 ARG 19 -4.880 -0.958 -5.455 138 2HH1 ARG 19 2HH1 ARG 19 -5.049 -2.679 -5.448 139 1HH2 ARG 19 1HH2 ARG 19 -3.006 -3.179 -2.655 140 2HH2 ARG 19 2HH2 ARG 19 -3.988 -3.939 -3.862 141 HA PRO 20 HA PRO 20 -7.510 -1.508 0.473 142 1HB PRO 20 1HB PRO 20 -7.466 -4.023 -0.485 143 2HB PRO 20 2HB PRO 20 -8.928 -3.031 -0.530 144 1HG PRO 20 1HG PRO 20 -6.964 -3.611 -2.712 145 2HG PRO 20 2HG PRO 20 -8.736 -3.563 -2.784 146 1HD PRO 20 1HD PRO 20 -7.132 -1.508 -3.605 147 2HD PRO 20 2HD PRO 20 -8.786 -1.282 -3.006 148 HA PRO 21 HA PRO 21 -3.297 -2.472 1.339 149 1HB PRO 21 1HB PRO 21 -4.068 -5.087 2.476 150 2HB PRO 21 2HB PRO 21 -3.251 -3.718 3.236 151 1HG PRO 21 1HG PRO 21 -5.812 -4.324 3.784 152 2HG PRO 21 2HG PRO 21 -5.228 -2.651 3.750 153 1HD PRO 21 1HD PRO 21 -6.840 -4.139 1.731 154 2HD PRO 21 2HD PRO 21 -6.926 -2.434 2.210 155 HA PRO 22 HA PRO 22 -2.096 -5.153 -2.025 156 1HB PRO 22 1HB PRO 22 0.529 -4.563 -2.015 157 2HB PRO 22 2HB PRO 22 -0.687 -3.426 -2.609 158 1HG PRO 22 1HG PRO 22 0.746 -3.476 0.009 159 2HG PRO 22 2HG PRO 22 0.298 -2.090 -0.999 160 1HD PRO 22 1HD PRO 22 -1.095 -2.924 1.232 161 2HD PRO 22 2HD PRO 22 -1.786 -1.955 -0.078 162 H SER 23 H SER 23 -0.399 -5.155 1.069 163 HA SER 23 HA SER 23 -0.062 -8.053 0.837 164 1HB SER 23 1HB SER 23 2.171 -7.775 2.023 165 2HB SER 23 2HB SER 23 2.125 -7.249 0.343 166 HG SER 23 HG SER 23 2.112 -5.150 0.994 Start of MODEL 13 1 H ALA 1 H ALA 1 4.310 -7.294 -6.155 2 HA ALA 1 HA ALA 1 5.516 -8.372 -4.422 3 1HB ALA 1 1HB ALA 1 7.676 -7.590 -4.460 4 2HB ALA 1 2HB ALA 1 7.027 -6.726 -3.068 5 3HB ALA 1 3HB ALA 1 7.181 -5.905 -4.621 6 H LEU 2 H LEU 2 4.474 -8.370 -2.491 7 HA LEU 2 HA LEU 2 2.312 -6.552 -2.128 8 1HB LEU 2 1HB LEU 2 3.392 -8.503 -0.099 9 2HB LEU 2 2HB LEU 2 1.781 -7.816 -0.154 10 HG LEU 2 HG LEU 2 2.945 -9.793 -2.119 11 1HD1 LEU 2 1HD1 LEU 2 0.842 -10.044 0.021 12 2HD1 LEU 2 2HD1 LEU 2 2.403 -10.861 -0.049 13 3HD1 LEU 2 3HD1 LEU 2 1.148 -11.257 -1.222 14 1HD2 LEU 2 1HD2 LEU 2 0.435 -9.818 -2.819 15 2HD2 LEU 2 2HD2 LEU 2 1.514 -8.578 -3.457 16 3HD2 LEU 2 3HD2 LEU 2 0.420 -8.196 -2.127 17 H GLN 3 H GLN 3 5.359 -7.088 -0.361 18 HA GLN 3 HA GLN 3 4.931 -5.013 1.531 19 1HB GLN 3 1HB GLN 3 7.302 -6.637 0.685 20 2HB GLN 3 2HB GLN 3 7.534 -5.242 1.728 21 1HG GLN 3 1HG GLN 3 7.366 -7.095 3.157 22 2HG GLN 3 2HG GLN 3 5.817 -6.261 3.269 23 1HE2 GLN 3 1HE2 GLN 3 7.481 -9.018 1.859 24 2HE2 GLN 3 2HE2 GLN 3 6.065 -9.984 1.620 25 H GLU 4 H GLU 4 6.602 -5.150 -1.586 26 HA GLU 4 HA GLU 4 7.821 -2.625 -1.505 27 1HB GLU 4 1HB GLU 4 8.146 -4.549 -3.188 28 2HB GLU 4 2HB GLU 4 6.766 -3.865 -4.034 29 1HG GLU 4 1HG GLU 4 7.906 -1.953 -4.629 30 2HG GLU 4 2HG GLU 4 9.083 -2.124 -3.328 31 H LEU 5 H LEU 5 4.638 -3.616 -2.757 32 HA LEU 5 HA LEU 5 3.887 -0.994 -3.586 33 1HB LEU 5 1HB LEU 5 2.919 -3.470 -4.094 34 2HB LEU 5 2HB LEU 5 1.752 -2.921 -2.907 35 HG LEU 5 HG LEU 5 2.422 -1.477 -5.474 36 1HD1 LEU 5 1HD1 LEU 5 -0.144 -2.891 -4.829 37 2HD1 LEU 5 2HD1 LEU 5 1.195 -3.704 -5.637 38 3HD1 LEU 5 3HD1 LEU 5 0.432 -2.304 -6.388 39 1HD2 LEU 5 1HD2 LEU 5 1.708 0.164 -3.968 40 2HD2 LEU 5 2HD2 LEU 5 0.516 -0.904 -3.227 41 3HD2 LEU 5 3HD2 LEU 5 0.247 -0.275 -4.853 42 H LEU 6 H LEU 6 3.597 -2.799 -0.597 43 HA LEU 6 HA LEU 6 1.613 -1.361 0.724 44 1HB LEU 6 1HB LEU 6 3.597 -3.264 1.366 45 2HB LEU 6 2HB LEU 6 3.689 -2.004 2.567 46 HG LEU 6 HG LEU 6 2.209 -4.001 3.102 47 1HD1 LEU 6 1HD1 LEU 6 1.981 -2.181 4.519 48 2HD1 LEU 6 2HD1 LEU 6 0.338 -2.442 3.935 49 3HD1 LEU 6 3HD1 LEU 6 1.321 -1.148 3.252 50 1HD2 LEU 6 1HD2 LEU 6 1.173 -4.138 0.853 51 2HD2 LEU 6 2HD2 LEU 6 0.332 -2.626 1.190 52 3HD2 LEU 6 3HD2 LEU 6 -0.003 -4.056 2.164 53 H GLY 7 H GLY 7 5.110 -0.715 0.523 54 1HA GLY 7 1HA GLY 7 5.111 1.517 2.261 55 2HA GLY 7 2HA GLY 7 6.324 1.164 1.047 56 H GLN 8 H GLN 8 4.539 1.178 -1.192 57 HA GLN 8 HA GLN 8 4.481 4.015 -1.711 58 1HB GLN 8 1HB GLN 8 3.307 1.749 -3.347 59 2HB GLN 8 2HB GLN 8 3.581 3.392 -3.906 60 1HG GLN 8 1HG GLN 8 5.587 1.252 -3.307 61 2HG GLN 8 2HG GLN 8 5.345 2.158 -4.799 62 1HE2 GLN 8 1HE2 GLN 8 5.753 4.546 -4.610 63 2HE2 GLN 8 2HE2 GLN 8 7.105 5.040 -3.651 64 H TRP 9 H TRP 9 2.208 1.478 -1.013 65 HA TRP 9 HA TRP 9 -0.216 2.880 -1.302 66 1HB TRP 9 1HB TRP 9 -0.004 0.436 -1.281 67 2HB TRP 9 2HB TRP 9 0.549 0.487 0.382 68 HD1 TRP 9 HD1 TRP 9 -2.573 1.937 -1.385 69 HE1 TRP 9 HE1 TRP 9 -4.635 1.297 0.033 70 HE3 TRP 9 HE3 TRP 9 -0.209 -0.673 2.281 71 HZ2 TRP 9 HZ2 TRP 9 -5.156 -0.142 2.424 72 HZ3 TRP 9 HZ3 TRP 9 -1.542 -1.639 4.108 73 HH2 TRP 9 HH2 TRP 9 -3.965 -1.362 4.172 74 H LEU 10 H LEU 10 1.934 2.240 1.420 75 HA LEU 10 HA LEU 10 0.344 3.451 3.428 76 1HB LEU 10 1HB LEU 10 2.427 1.853 3.569 77 2HB LEU 10 2HB LEU 10 3.321 3.359 3.639 78 HG LEU 10 HG LEU 10 1.423 3.802 5.540 79 1HD1 LEU 10 1HD1 LEU 10 0.542 1.521 5.294 80 2HD1 LEU 10 2HD1 LEU 10 1.213 1.809 6.900 81 3HD1 LEU 10 3HD1 LEU 10 2.129 0.876 5.716 82 1HD2 LEU 10 1HD2 LEU 10 3.811 4.201 5.774 83 2HD2 LEU 10 2HD2 LEU 10 4.104 2.465 5.904 84 3HD2 LEU 10 3HD2 LEU 10 3.194 3.304 7.161 85 H LYS 11 H LYS 11 2.788 4.728 1.231 86 HA LYS 11 HA LYS 11 3.285 7.179 2.482 87 1HB LYS 11 1HB LYS 11 4.514 7.657 0.643 88 2HB LYS 11 2HB LYS 11 4.221 5.972 0.244 89 1HG LYS 11 1HG LYS 11 2.152 6.839 -1.009 90 2HG LYS 11 2HG LYS 11 2.914 8.424 -0.875 91 1HD LYS 11 1HD LYS 11 4.841 7.673 -2.084 92 2HD LYS 11 2HD LYS 11 4.272 6.002 -2.050 93 1HE LYS 11 1HE LYS 11 2.176 7.057 -3.257 94 2HE LYS 11 2HE LYS 11 3.346 8.298 -3.705 95 1HZ LYS 11 1HZ LYS 11 4.727 6.610 -4.710 96 2HZ LYS 11 2HZ LYS 11 3.172 6.535 -5.371 97 3HZ LYS 11 3HZ LYS 11 3.659 5.389 -4.227 98 H ASP 12 H ASP 12 0.572 6.095 0.578 99 HA ASP 12 HA ASP 12 -0.573 8.789 0.510 100 1HB ASP 12 1HB ASP 12 -0.465 7.110 -1.501 101 2HB ASP 12 2HB ASP 12 -1.864 6.374 -0.727 102 H GLY 13 H GLY 13 -0.363 7.404 3.033 103 1HA GLY 13 1HA GLY 13 -1.680 7.215 4.914 104 2HA GLY 13 2HA GLY 13 -3.063 7.684 3.938 105 H GLY 14 H GLY 14 -1.083 4.954 3.019 106 1HA GLY 14 1HA GLY 14 -1.611 2.752 2.713 107 2HA GLY 14 2HA GLY 14 -2.205 2.853 4.362 108 HA PRO 15 HA PRO 15 -6.011 1.345 2.507 109 1HB PRO 15 1HB PRO 15 -6.940 2.227 5.195 110 2HB PRO 15 2HB PRO 15 -7.244 0.715 4.350 111 1HG PRO 15 1HG PRO 15 -5.493 0.806 6.334 112 2HG PRO 15 2HG PRO 15 -5.130 -0.130 4.871 113 1HD PRO 15 1HD PRO 15 -4.093 2.549 5.708 114 2HD PRO 15 2HD PRO 15 -3.250 1.225 4.886 115 H SER 16 H SER 16 -5.800 4.399 4.319 116 HA SER 16 HA SER 16 -8.247 5.453 3.483 117 1HB SER 16 1HB SER 16 -7.534 7.524 4.363 118 2HB SER 16 2HB SER 16 -6.686 6.317 5.329 119 HG SER 16 HG SER 16 -5.696 8.191 3.571 120 H SER 17 H SER 17 -5.247 5.140 1.774 121 HA SER 17 HA SER 17 -5.289 7.172 -0.076 122 1HB SER 17 1HB SER 17 -3.974 5.767 -1.514 123 2HB SER 17 2HB SER 17 -3.533 5.376 0.146 124 HG SER 17 HG SER 17 -4.233 3.674 -1.635 125 H GLY 18 H GLY 18 -7.132 4.143 -0.166 126 1HA GLY 18 1HA GLY 18 -9.452 4.709 -1.184 127 2HA GLY 18 2HA GLY 18 -8.485 5.041 -2.615 128 H ARG 19 H ARG 19 -6.639 3.018 -2.561 129 HA ARG 19 HA ARG 19 -8.270 0.758 -3.345 130 1HB ARG 19 1HB ARG 19 -6.192 -0.192 -4.208 131 2HB ARG 19 2HB ARG 19 -6.391 1.465 -4.761 132 1HG ARG 19 1HG ARG 19 -4.748 2.259 -3.243 133 2HG ARG 19 2HG ARG 19 -4.695 0.714 -2.393 134 1HD ARG 19 1HD ARG 19 -2.766 0.838 -3.791 135 2HD ARG 19 2HD ARG 19 -3.874 -0.333 -4.506 136 HE ARG 19 HE ARG 19 -4.234 2.280 -5.593 137 1HH1 ARG 19 1HH1 ARG 19 -2.196 -0.561 -5.774 138 2HH1 ARG 19 2HH1 ARG 19 -1.718 -0.263 -7.411 139 1HH2 ARG 19 1HH2 ARG 19 -3.603 2.667 -7.749 140 2HH2 ARG 19 2HH2 ARG 19 -2.516 1.570 -8.533 141 HA PRO 20 HA PRO 20 -7.745 -1.635 0.330 142 1HB PRO 20 1HB PRO 20 -7.733 -4.161 -0.665 143 2HB PRO 20 2HB PRO 20 -9.193 -3.169 -0.585 144 1HG PRO 20 1HG PRO 20 -7.383 -3.692 -2.911 145 2HG PRO 20 2HG PRO 20 -9.156 -3.651 -2.858 146 1HD PRO 20 1HD PRO 20 -7.673 -1.574 -3.769 147 2HD PRO 20 2HD PRO 20 -9.232 -1.350 -2.950 148 HA PRO 21 HA PRO 21 -3.520 -2.534 1.217 149 1HB PRO 21 1HB PRO 21 -4.427 -5.151 2.307 150 2HB PRO 21 2HB PRO 21 -3.442 -3.893 3.063 151 1HG PRO 21 1HG PRO 21 -6.006 -4.223 3.730 152 2HG PRO 21 2HG PRO 21 -5.281 -2.609 3.632 153 1HD PRO 21 1HD PRO 21 -7.144 -3.967 1.752 154 2HD PRO 21 2HD PRO 21 -7.006 -2.248 2.159 155 HA PRO 22 HA PRO 22 -2.580 -5.078 -2.398 156 1HB PRO 22 1HB PRO 22 0.137 -4.038 -2.029 157 2HB PRO 22 2HB PRO 22 -0.969 -3.817 -3.386 158 1HG PRO 22 1HG PRO 22 -0.335 -1.811 -1.695 159 2HG PRO 22 2HG PRO 22 -1.924 -1.935 -2.474 160 1HD PRO 22 1HD PRO 22 -1.117 -2.670 0.314 161 2HD PRO 22 2HD PRO 22 -2.586 -1.854 -0.254 162 H SER 23 H SER 23 -2.890 -6.860 -0.745 163 HA SER 23 HA SER 23 -0.363 -8.275 -0.422 164 1HB SER 23 1HB SER 23 -0.969 -7.072 1.744 165 2HB SER 23 2HB SER 23 -2.344 -8.171 1.854 166 HG SER 23 HG SER 23 -1.031 -9.803 2.277 Start of MODEL 14 1 H ALA 1 H ALA 1 8.630 -7.705 -3.925 2 HA ALA 1 HA ALA 1 6.690 -6.771 -4.852 3 1HB ALA 1 1HB ALA 1 6.894 -9.058 -5.311 4 2HB ALA 1 2HB ALA 1 5.227 -8.848 -4.776 5 3HB ALA 1 3HB ALA 1 6.432 -9.509 -3.670 6 H LEU 2 H LEU 2 5.595 -8.449 -1.953 7 HA LEU 2 HA LEU 2 3.208 -6.916 -1.743 8 1HB LEU 2 1HB LEU 2 4.576 -8.799 0.174 9 2HB LEU 2 2HB LEU 2 3.047 -8.018 0.533 10 HG LEU 2 HG LEU 2 3.400 -9.722 -1.920 11 1HD1 LEU 2 1HD1 LEU 2 2.476 -11.595 -0.669 12 2HD1 LEU 2 2HD1 LEU 2 2.513 -10.637 0.811 13 3HD1 LEU 2 3HD1 LEU 2 4.020 -11.082 0.011 14 1HD2 LEU 2 1HD2 LEU 2 1.456 -8.289 -1.913 15 2HD2 LEU 2 2HD2 LEU 2 1.006 -8.855 -0.304 16 3HD2 LEU 2 3HD2 LEU 2 0.954 -9.963 -1.675 17 H GLN 3 H GLN 3 6.204 -6.978 0.191 18 HA GLN 3 HA GLN 3 5.478 -4.820 1.871 19 1HB GLN 3 1HB GLN 3 7.932 -4.727 2.413 20 2HB GLN 3 2HB GLN 3 7.178 -6.295 2.651 21 1HG GLN 3 1HG GLN 3 9.134 -6.896 1.636 22 2HG GLN 3 2HG GLN 3 8.068 -6.770 0.241 23 1HE2 GLN 3 1HE2 GLN 3 10.064 -4.567 2.205 24 2HE2 GLN 3 2HE2 GLN 3 10.809 -3.778 0.858 25 H GLU 4 H GLU 4 6.964 -4.967 -1.295 26 HA GLU 4 HA GLU 4 7.966 -2.304 -1.335 27 1HB GLU 4 1HB GLU 4 8.574 -4.290 -2.874 28 2HB GLU 4 2HB GLU 4 7.138 -3.845 -3.784 29 1HG GLU 4 1HG GLU 4 8.088 -1.565 -4.050 30 2HG GLU 4 2HG GLU 4 9.565 -2.143 -3.280 31 H LEU 5 H LEU 5 4.988 -3.819 -2.553 32 HA LEU 5 HA LEU 5 3.882 -1.436 -3.624 33 1HB LEU 5 1HB LEU 5 3.252 -4.084 -3.778 34 2HB LEU 5 2HB LEU 5 1.994 -3.499 -2.706 35 HG LEU 5 HG LEU 5 2.578 -2.480 -5.487 36 1HD1 LEU 5 1HD1 LEU 5 0.936 -3.798 -6.257 37 2HD1 LEU 5 2HD1 LEU 5 -0.061 -3.571 -4.820 38 3HD1 LEU 5 3HD1 LEU 5 1.252 -4.748 -4.806 39 1HD2 LEU 5 1HD2 LEU 5 0.400 -1.232 -5.091 40 2HD2 LEU 5 2HD2 LEU 5 1.832 -0.612 -4.270 41 3HD2 LEU 5 3HD2 LEU 5 0.647 -1.562 -3.376 42 H LEU 6 H LEU 6 3.798 -2.928 -0.447 43 HA LEU 6 HA LEU 6 1.664 -1.469 0.669 44 1HB LEU 6 1HB LEU 6 3.183 -3.466 1.526 45 2HB LEU 6 2HB LEU 6 3.987 -2.171 2.377 46 HG LEU 6 HG LEU 6 2.354 -3.210 3.826 47 1HD1 LEU 6 1HD1 LEU 6 1.192 -1.289 4.566 48 2HD1 LEU 6 2HD1 LEU 6 1.206 -0.572 2.955 49 3HD1 LEU 6 3HD1 LEU 6 2.708 -0.717 3.867 50 1HD2 LEU 6 1HD2 LEU 6 0.291 -2.480 1.752 51 2HD2 LEU 6 2HD2 LEU 6 -0.014 -3.239 3.313 52 3HD2 LEU 6 3HD2 LEU 6 0.887 -4.110 2.072 53 H GLY 7 H GLY 7 5.138 -0.770 0.436 54 1HA GLY 7 1HA GLY 7 5.064 1.606 1.993 55 2HA GLY 7 2HA GLY 7 6.307 1.175 0.833 56 H GLN 8 H GLN 8 4.243 0.843 -1.289 57 HA GLN 8 HA GLN 8 4.194 3.609 -2.181 58 1HB GLN 8 1HB GLN 8 4.615 1.537 -3.658 59 2HB GLN 8 2HB GLN 8 2.880 1.273 -3.569 60 1HG GLN 8 1HG GLN 8 3.259 2.422 -5.581 61 2HG GLN 8 2HG GLN 8 2.600 3.614 -4.462 62 1HE2 GLN 8 1HE2 GLN 8 3.869 5.310 -3.785 63 2HE2 GLN 8 2HE2 GLN 8 5.416 5.663 -4.474 64 H TRP 9 H TRP 9 2.106 1.258 -0.784 65 HA TRP 9 HA TRP 9 -0.381 2.613 -1.248 66 1HB TRP 9 1HB TRP 9 -0.121 0.141 -1.054 67 2HB TRP 9 2HB TRP 9 0.326 0.355 0.630 68 HD1 TRP 9 HD1 TRP 9 -2.626 1.860 -1.354 69 HE1 TRP 9 HE1 TRP 9 -4.793 1.320 -0.060 70 HE3 TRP 9 HE3 TRP 9 -0.609 -0.880 2.418 71 HZ2 TRP 9 HZ2 TRP 9 -5.520 -0.087 2.291 72 HZ3 TRP 9 HZ3 TRP 9 -2.088 -1.782 4.164 73 HH2 TRP 9 HH2 TRP 9 -4.495 -1.382 4.096 74 H LEU 10 H LEU 10 1.927 2.187 1.369 75 HA LEU 10 HA LEU 10 0.395 3.497 3.377 76 1HB LEU 10 1HB LEU 10 2.273 1.844 3.727 77 2HB LEU 10 2HB LEU 10 3.384 3.145 3.346 78 HG LEU 10 HG LEU 10 2.361 4.436 5.269 79 1HD1 LEU 10 1HD1 LEU 10 1.126 1.742 5.815 80 2HD1 LEU 10 2HD1 LEU 10 0.281 3.258 5.507 81 3HD1 LEU 10 3HD1 LEU 10 1.221 3.057 6.985 82 1HD2 LEU 10 1HD2 LEU 10 3.721 1.821 5.912 83 2HD2 LEU 10 2HD2 LEU 10 3.654 3.242 6.954 84 3HD2 LEU 10 3HD2 LEU 10 4.530 3.311 5.425 85 H LYS 11 H LYS 11 2.885 4.606 1.113 86 HA LYS 11 HA LYS 11 3.404 7.110 2.227 87 1HB LYS 11 1HB LYS 11 4.245 7.772 0.070 88 2HB LYS 11 2HB LYS 11 4.690 6.097 0.357 89 1HG LYS 11 1HG LYS 11 3.910 5.723 -1.694 90 2HG LYS 11 2HG LYS 11 2.309 5.845 -0.965 91 1HD LYS 11 1HD LYS 11 2.534 8.372 -1.396 92 2HD LYS 11 2HD LYS 11 3.849 7.923 -2.484 93 1HE LYS 11 1HE LYS 11 1.814 6.195 -3.185 94 2HE LYS 11 2HE LYS 11 0.967 7.702 -2.839 95 1HZ LYS 11 1HZ LYS 11 1.678 7.478 -5.176 96 2HZ LYS 11 2HZ LYS 11 3.292 7.476 -4.673 97 3HZ LYS 11 3HZ LYS 11 2.330 8.844 -4.420 98 H ASP 12 H ASP 12 0.729 6.024 0.223 99 HA ASP 12 HA ASP 12 -0.351 8.668 -0.159 100 1HB ASP 12 1HB ASP 12 -0.631 6.569 -1.679 101 2HB ASP 12 2HB ASP 12 -1.910 6.126 -0.558 102 H GLY 13 H GLY 13 -0.865 5.951 2.015 103 1HA GLY 13 1HA GLY 13 -1.591 6.858 4.297 104 2HA GLY 13 2HA GLY 13 -2.985 7.454 3.410 105 H GLY 14 H GLY 14 -1.296 4.342 3.100 106 1HA GLY 14 1HA GLY 14 -2.146 2.217 2.988 107 2HA GLY 14 2HA GLY 14 -2.727 2.638 4.590 108 HA PRO 15 HA PRO 15 -6.591 1.223 2.682 109 1HB PRO 15 1HB PRO 15 -7.427 2.127 5.395 110 2HB PRO 15 2HB PRO 15 -7.841 0.651 4.533 111 1HG PRO 15 1HG PRO 15 -6.059 0.597 6.493 112 2HG PRO 15 2HG PRO 15 -5.785 -0.345 5.014 113 1HD PRO 15 1HD PRO 15 -4.538 2.237 5.868 114 2HD PRO 15 2HD PRO 15 -3.818 0.872 5.001 115 H SER 16 H SER 16 -6.164 4.206 4.567 116 HA SER 16 HA SER 16 -8.530 5.446 3.664 117 1HB SER 16 1HB SER 16 -7.071 6.039 5.707 118 2HB SER 16 2HB SER 16 -6.099 6.974 4.572 119 HG SER 16 HG SER 16 -7.661 8.402 4.388 120 H SER 17 H SER 17 -5.422 5.063 2.184 121 HA SER 17 HA SER 17 -5.105 7.244 0.564 122 1HB SER 17 1HB SER 17 -3.835 5.862 -0.920 123 2HB SER 17 2HB SER 17 -3.606 5.210 0.702 124 HG SER 17 HG SER 17 -4.187 3.751 -1.202 125 H GLY 18 H GLY 18 -7.316 4.525 0.054 126 1HA GLY 18 1HA GLY 18 -9.444 5.526 -1.063 127 2HA GLY 18 2HA GLY 18 -8.329 5.785 -2.397 128 H ARG 19 H ARG 19 -6.840 3.323 -1.869 129 HA ARG 19 HA ARG 19 -8.827 1.369 -2.827 130 1HB ARG 19 1HB ARG 19 -6.873 0.295 -4.006 131 2HB ARG 19 2HB ARG 19 -7.345 1.869 -4.628 132 1HG ARG 19 1HG ARG 19 -5.347 2.743 -4.200 133 2HG ARG 19 2HG ARG 19 -5.325 2.086 -2.563 134 1HD ARG 19 1HD ARG 19 -4.592 -0.072 -3.430 135 2HD ARG 19 2HD ARG 19 -4.638 0.563 -5.074 136 HE ARG 19 HE ARG 19 -2.933 2.251 -4.068 137 1HH1 ARG 19 1HH1 ARG 19 -3.117 -1.182 -3.360 138 2HH1 ARG 19 2HH1 ARG 19 -1.431 -1.316 -2.997 139 1HH2 ARG 19 1HH2 ARG 19 -0.719 2.058 -3.589 140 2HH2 ARG 19 2HH2 ARG 19 -0.071 0.521 -3.126 141 HA PRO 20 HA PRO 20 -7.795 -1.366 0.479 142 1HB PRO 20 1HB PRO 20 -7.657 -3.630 -1.401 143 2HB PRO 20 2HB PRO 20 -8.790 -3.338 -0.080 144 1HG PRO 20 1HG PRO 20 -9.542 -3.149 -2.650 145 2HG PRO 20 2HG PRO 20 -10.213 -2.086 -1.398 146 1HD PRO 20 1HD PRO 20 -8.084 -1.518 -3.430 147 2HD PRO 20 2HD PRO 20 -9.426 -0.488 -2.884 148 HA PRO 21 HA PRO 21 -3.495 -2.334 0.749 149 1HB PRO 21 1HB PRO 21 -3.451 -4.921 1.697 150 2HB PRO 21 2HB PRO 21 -3.727 -3.494 2.699 151 1HG PRO 21 1HG PRO 21 -5.709 -5.403 1.532 152 2HG PRO 21 2HG PRO 21 -5.686 -4.652 3.138 153 1HD PRO 21 1HD PRO 21 -7.298 -3.754 1.189 154 2HD PRO 21 2HD PRO 21 -6.538 -2.645 2.350 155 HA PRO 22 HA PRO 22 -2.290 -4.454 -2.949 156 1HB PRO 22 1HB PRO 22 0.363 -4.730 -2.508 157 2HB PRO 22 2HB PRO 22 -0.384 -3.168 -2.852 158 1HG PRO 22 1HG PRO 22 0.444 -4.333 -0.225 159 2HG PRO 22 2HG PRO 22 0.641 -2.678 -0.829 160 1HD PRO 22 1HD PRO 22 -1.336 -3.418 0.896 161 2HD PRO 22 2HD PRO 22 -1.501 -2.085 -0.261 162 H SER 23 H SER 23 -3.607 -6.325 -1.965 163 HA SER 23 HA SER 23 -1.834 -8.579 -1.335 164 1HB SER 23 1HB SER 23 -3.991 -9.639 -0.434 165 2HB SER 23 2HB SER 23 -3.292 -8.322 0.506 166 HG SER 23 HG SER 23 -4.942 -7.072 0.010 Start of MODEL 15 1 H ALA 1 H ALA 1 3.154 -8.861 -5.020 2 HA ALA 1 HA ALA 1 5.537 -7.778 -3.673 3 1HB ALA 1 1HB ALA 1 5.468 -7.094 -5.984 4 2HB ALA 1 2HB ALA 1 5.010 -5.732 -4.961 5 3HB ALA 1 3HB ALA 1 3.772 -6.635 -5.835 6 H LEU 2 H LEU 2 4.509 -8.109 -1.631 7 HA LEU 2 HA LEU 2 2.056 -6.567 -1.160 8 1HB LEU 2 1HB LEU 2 3.400 -8.288 0.897 9 2HB LEU 2 2HB LEU 2 1.715 -7.823 0.784 10 HG LEU 2 HG LEU 2 3.075 -9.735 -1.117 11 1HD1 LEU 2 1HD1 LEU 2 1.256 -10.328 1.213 12 2HD1 LEU 2 2HD1 LEU 2 2.992 -10.639 1.159 13 3HD1 LEU 2 3HD1 LEU 2 1.907 -11.503 0.069 14 1HD2 LEU 2 1HD2 LEU 2 0.166 -9.054 -0.694 15 2HD2 LEU 2 2HD2 LEU 2 0.789 -10.288 -1.790 16 3HD2 LEU 2 3HD2 LEU 2 1.152 -8.586 -2.080 17 H GLN 3 H GLN 3 5.256 -7.071 0.342 18 HA GLN 3 HA GLN 3 5.051 -4.801 2.047 19 1HB GLN 3 1HB GLN 3 6.490 -6.761 2.531 20 2HB GLN 3 2HB GLN 3 7.525 -6.311 1.184 21 1HG GLN 3 1HG GLN 3 7.112 -4.138 3.077 22 2HG GLN 3 2HG GLN 3 7.854 -5.563 3.802 23 1HE2 GLN 3 1HE2 GLN 3 8.292 -2.863 1.745 24 2HE2 GLN 3 2HE2 GLN 3 9.950 -3.154 1.342 25 H GLU 4 H GLU 4 6.694 -5.396 -1.046 26 HA GLU 4 HA GLU 4 8.033 -2.957 -1.281 27 1HB GLU 4 1HB GLU 4 7.032 -4.975 -3.255 28 2HB GLU 4 2HB GLU 4 7.674 -3.446 -3.839 29 1HG GLU 4 1HG GLU 4 9.422 -5.064 -3.879 30 2HG GLU 4 2HG GLU 4 9.768 -3.909 -2.593 31 H LEU 5 H LEU 5 4.791 -3.871 -2.443 32 HA LEU 5 HA LEU 5 4.199 -1.280 -3.480 33 1HB LEU 5 1HB LEU 5 3.152 -3.617 -4.024 34 2HB LEU 5 2HB LEU 5 2.078 -3.235 -2.693 35 HG LEU 5 HG LEU 5 2.433 -1.312 -4.970 36 1HD1 LEU 5 1HD1 LEU 5 0.482 -2.329 -6.051 37 2HD1 LEU 5 2HD1 LEU 5 0.515 -3.635 -4.866 38 3HD1 LEU 5 3HD1 LEU 5 1.855 -3.436 -5.994 39 1HD2 LEU 5 1HD2 LEU 5 -0.179 -1.294 -4.071 40 2HD2 LEU 5 2HD2 LEU 5 1.083 -0.142 -3.637 41 3HD2 LEU 5 3HD2 LEU 5 0.766 -1.534 -2.601 42 H LEU 6 H LEU 6 3.829 -2.807 -0.359 43 HA LEU 6 HA LEU 6 1.854 -1.280 0.832 44 1HB LEU 6 1HB LEU 6 3.723 -3.137 1.641 45 2HB LEU 6 2HB LEU 6 4.104 -1.737 2.609 46 HG LEU 6 HG LEU 6 2.572 -3.305 3.748 47 1HD1 LEU 6 1HD1 LEU 6 0.841 -1.603 4.352 48 2HD1 LEU 6 2HD1 LEU 6 1.503 -0.571 3.084 49 3HD1 LEU 6 3HD1 LEU 6 2.508 -1.037 4.457 50 1HD2 LEU 6 1HD2 LEU 6 0.269 -3.529 3.001 51 2HD2 LEU 6 2HD2 LEU 6 1.381 -4.125 1.768 52 3HD2 LEU 6 3HD2 LEU 6 0.617 -2.546 1.579 53 H GLY 7 H GLY 7 5.331 -0.540 0.563 54 1HA GLY 7 1HA GLY 7 5.273 1.842 2.068 55 2HA GLY 7 2HA GLY 7 6.466 1.437 0.850 56 H GLN 8 H GLN 8 4.500 1.151 -1.276 57 HA GLN 8 HA GLN 8 4.334 3.933 -2.059 58 1HB GLN 8 1HB GLN 8 4.767 1.914 -3.606 59 2HB GLN 8 2HB GLN 8 3.038 1.615 -3.496 60 1HG GLN 8 1HG GLN 8 3.423 2.831 -5.490 61 2HG GLN 8 2HG GLN 8 2.664 3.935 -4.344 62 1HE2 GLN 8 1HE2 GLN 8 3.801 5.685 -3.585 63 2HE2 GLN 8 2HE2 GLN 8 5.339 6.159 -4.218 64 H TRP 9 H TRP 9 2.186 1.358 -1.097 65 HA TRP 9 HA TRP 9 -0.298 2.657 -1.373 66 1HB TRP 9 1HB TRP 9 0.063 0.212 -1.145 67 2HB TRP 9 2HB TRP 9 0.553 0.461 0.520 68 HD1 TRP 9 HD1 TRP 9 -2.551 1.811 -1.362 69 HE1 TRP 9 HE1 TRP 9 -4.635 1.160 0.013 70 HE3 TRP 9 HE3 TRP 9 -0.251 -0.818 2.325 71 HZ2 TRP 9 HZ2 TRP 9 -5.199 -0.287 2.390 72 HZ3 TRP 9 HZ3 TRP 9 -1.610 -1.801 4.123 73 HH2 TRP 9 HH2 TRP 9 -4.034 -1.531 4.149 74 H LEU 10 H LEU 10 2.046 2.397 1.232 75 HA LEU 10 HA LEU 10 0.491 3.679 3.236 76 1HB LEU 10 1HB LEU 10 2.418 2.194 3.696 77 2HB LEU 10 2HB LEU 10 3.492 3.419 3.045 78 HG LEU 10 HG LEU 10 2.663 4.970 4.855 79 1HD1 LEU 10 1HD1 LEU 10 0.586 3.879 5.407 80 2HD1 LEU 10 2HD1 LEU 10 1.634 3.894 6.825 81 3HD1 LEU 10 3HD1 LEU 10 1.443 2.414 5.885 82 1HD2 LEU 10 1HD2 LEU 10 4.007 2.435 5.783 83 2HD2 LEU 10 2HD2 LEU 10 4.093 4.017 6.558 84 3HD2 LEU 10 3HD2 LEU 10 4.814 3.774 4.967 85 H LYS 11 H LYS 11 2.733 4.851 0.785 86 HA LYS 11 HA LYS 11 3.233 7.417 1.723 87 1HB LYS 11 1HB LYS 11 4.228 6.272 -0.317 88 2HB LYS 11 2HB LYS 11 2.772 6.743 -1.183 89 1HG LYS 11 1HG LYS 11 3.259 9.076 -0.827 90 2HG LYS 11 2HG LYS 11 4.652 8.664 0.175 91 1HD LYS 11 1HD LYS 11 5.962 8.256 -1.607 92 2HD LYS 11 2HD LYS 11 4.673 7.434 -2.487 93 1HE LYS 11 1HE LYS 11 5.115 9.334 -3.770 94 2HE LYS 11 2HE LYS 11 3.681 9.767 -2.842 95 1HZ LYS 11 1HZ LYS 11 6.460 10.515 -2.104 96 2HZ LYS 11 2HZ LYS 11 5.045 11.000 -1.314 97 3HZ LYS 11 3HZ LYS 11 5.360 11.536 -2.886 98 H ASP 12 H ASP 12 0.489 6.216 -0.179 99 HA ASP 12 HA ASP 12 -0.790 8.775 -0.357 100 1HB ASP 12 1HB ASP 12 -1.072 6.823 -1.970 101 2HB ASP 12 2HB ASP 12 -2.095 6.078 -0.755 102 H GLY 13 H GLY 13 -0.934 6.035 1.836 103 1HA GLY 13 1HA GLY 13 -1.580 6.878 4.157 104 2HA GLY 13 2HA GLY 13 -3.069 7.375 3.370 105 H GLY 14 H GLY 14 -1.231 4.377 2.878 106 1HA GLY 14 1HA GLY 14 -1.948 2.202 2.843 107 2HA GLY 14 2HA GLY 14 -2.417 2.585 4.490 108 HA PRO 15 HA PRO 15 -6.335 0.944 2.910 109 1HB PRO 15 1HB PRO 15 -7.019 1.811 5.676 110 2HB PRO 15 2HB PRO 15 -7.393 0.302 4.853 111 1HG PRO 15 1HG PRO 15 -5.467 0.407 6.682 112 2HG PRO 15 2HG PRO 15 -5.259 -0.558 5.208 113 1HD PRO 15 1HD PRO 15 -4.082 2.096 5.912 114 2HD PRO 15 2HD PRO 15 -3.373 0.759 4.992 115 H SER 16 H SER 16 -6.008 3.923 4.839 116 HA SER 16 HA SER 16 -8.481 5.018 4.001 117 1HB SER 16 1HB SER 16 -7.079 5.626 6.075 118 2HB SER 16 2HB SER 16 -6.164 6.669 4.988 119 HG SER 16 HG SER 16 -7.810 8.001 4.863 120 H SER 17 H SER 17 -5.377 4.891 2.489 121 HA SER 17 HA SER 17 -5.190 7.169 0.980 122 1HB SER 17 1HB SER 17 -3.828 5.963 -0.532 123 2HB SER 17 2HB SER 17 -3.610 5.164 1.019 124 HG SER 17 HG SER 17 -3.978 3.744 -0.817 125 H GLY 18 H GLY 18 -7.192 4.324 0.288 126 1HA GLY 18 1HA GLY 18 -9.418 5.184 -0.733 127 2HA GLY 18 2HA GLY 18 -8.355 5.699 -2.036 128 H ARG 19 H ARG 19 -6.580 3.484 -1.956 129 HA ARG 19 HA ARG 19 -8.291 1.455 -3.197 130 1HB ARG 19 1HB ARG 19 -6.206 0.630 -4.228 131 2HB ARG 19 2HB ARG 19 -6.505 2.321 -4.602 132 1HG ARG 19 1HG ARG 19 -4.546 2.914 -3.753 133 2HG ARG 19 2HG ARG 19 -4.907 2.111 -2.227 134 1HD ARG 19 1HD ARG 19 -2.860 1.254 -3.311 135 2HD ARG 19 2HD ARG 19 -4.086 0.014 -3.074 136 HE ARG 19 HE ARG 19 -3.304 1.224 -5.632 137 1HH1 ARG 19 1HH1 ARG 19 -5.114 -1.227 -3.887 138 2HH1 ARG 19 2HH1 ARG 19 -5.433 -2.166 -5.304 139 1HH2 ARG 19 1HH2 ARG 19 -3.736 -0.025 -7.486 140 2HH2 ARG 19 2HH2 ARG 19 -4.654 -1.486 -7.343 141 HA PRO 20 HA PRO 20 -7.562 -1.483 0.021 142 1HB PRO 20 1HB PRO 20 -7.596 -3.825 -1.325 143 2HB PRO 20 2HB PRO 20 -9.050 -2.846 -1.094 144 1HG PRO 20 1HG PRO 20 -7.259 -3.042 -3.486 145 2HG PRO 20 2HG PRO 20 -9.031 -3.012 -3.415 146 1HD PRO 20 1HD PRO 20 -7.535 -0.826 -4.026 147 2HD PRO 20 2HD PRO 20 -9.109 -0.724 -3.210 148 HA PRO 21 HA PRO 21 -3.297 -2.498 0.576 149 1HB PRO 21 1HB PRO 21 -4.149 -5.261 1.282 150 2HB PRO 21 2HB PRO 21 -3.150 -4.123 2.193 151 1HG PRO 21 1HG PRO 21 -5.687 -4.599 2.884 152 2HG PRO 21 2HG PRO 21 -4.980 -2.980 3.026 153 1HD PRO 21 1HD PRO 21 -6.896 -4.042 1.011 154 2HD PRO 21 2HD PRO 21 -6.762 -2.410 1.693 155 HA PRO 22 HA PRO 22 -1.922 -4.377 -3.195 156 1HB PRO 22 1HB PRO 22 0.605 -5.120 -2.393 157 2HB PRO 22 2HB PRO 22 0.154 -3.489 -2.894 158 1HG PRO 22 1HG PRO 22 0.417 -4.619 -0.138 159 2HG PRO 22 2HG PRO 22 0.932 -3.038 -0.755 160 1HD PRO 22 1HD PRO 22 -1.307 -3.303 0.692 161 2HD PRO 22 2HD PRO 22 -1.217 -2.166 -0.668 162 H SER 23 H SER 23 -3.417 -6.127 -3.031 163 HA SER 23 HA SER 23 -2.105 -8.684 -2.798 164 1HB SER 23 1HB SER 23 -3.938 -9.585 -1.272 165 2HB SER 23 2HB SER 23 -2.742 -8.537 -0.511 166 HG SER 23 HG SER 23 -4.212 -6.991 -0.279 Start of MODEL 16 1 H ALA 1 H ALA 1 4.964 -7.015 -6.110 2 HA ALA 1 HA ALA 1 6.037 -8.302 -4.433 3 1HB ALA 1 1HB ALA 1 7.633 -6.949 -2.920 4 2HB ALA 1 2HB ALA 1 7.845 -5.918 -4.335 5 3HB ALA 1 3HB ALA 1 8.258 -7.630 -4.422 6 H LEU 2 H LEU 2 4.969 -8.352 -2.504 7 HA LEU 2 HA LEU 2 2.858 -6.523 -2.079 8 1HB LEU 2 1HB LEU 2 3.948 -8.895 -0.682 9 2HB LEU 2 2HB LEU 2 3.008 -7.787 0.300 10 HG LEU 2 HG LEU 2 1.266 -8.015 -1.665 11 1HD1 LEU 2 1HD1 LEU 2 1.260 -10.247 -2.637 12 2HD1 LEU 2 2HD1 LEU 2 2.795 -10.607 -1.846 13 3HD1 LEU 2 3HD1 LEU 2 2.716 -9.364 -3.095 14 1HD2 LEU 2 1HD2 LEU 2 1.730 -10.110 0.454 15 2HD2 LEU 2 2HD2 LEU 2 0.227 -9.889 -0.443 16 3HD2 LEU 2 3HD2 LEU 2 0.810 -8.616 0.628 17 H GLN 3 H GLN 3 5.986 -6.958 -0.444 18 HA GLN 3 HA GLN 3 5.605 -5.029 1.570 19 1HB GLN 3 1HB GLN 3 7.994 -6.339 0.336 20 2HB GLN 3 2HB GLN 3 8.237 -4.957 1.395 21 1HG GLN 3 1HG GLN 3 6.919 -6.166 3.140 22 2HG GLN 3 2HG GLN 3 6.931 -7.577 2.082 23 1HE2 GLN 3 1HE2 GLN 3 8.934 -5.388 3.958 24 2HE2 GLN 3 2HE2 GLN 3 10.285 -6.459 4.112 25 H GLU 4 H GLU 4 7.027 -4.781 -1.676 26 HA GLU 4 HA GLU 4 7.808 -2.073 -1.482 27 1HB GLU 4 1HB GLU 4 7.102 -3.682 -3.945 28 2HB GLU 4 2HB GLU 4 7.948 -2.142 -3.944 29 1HG GLU 4 1HG GLU 4 8.917 -4.792 -2.924 30 2HG GLU 4 2HG GLU 4 9.589 -3.807 -4.221 31 H LEU 5 H LEU 5 4.841 -3.613 -2.678 32 HA LEU 5 HA LEU 5 3.596 -1.235 -3.578 33 1HB LEU 5 1HB LEU 5 3.025 -3.813 -3.911 34 2HB LEU 5 2HB LEU 5 1.944 -3.496 -2.567 35 HG LEU 5 HG LEU 5 1.926 -1.921 -5.142 36 1HD1 LEU 5 1HD1 LEU 5 1.307 -4.144 -5.711 37 2HD1 LEU 5 2HD1 LEU 5 -0.180 -3.203 -5.591 38 3HD1 LEU 5 3HD1 LEU 5 0.285 -4.292 -4.282 39 1HD2 LEU 5 1HD2 LEU 5 0.736 -0.517 -3.872 40 2HD2 LEU 5 2HD2 LEU 5 0.545 -1.699 -2.579 41 3HD2 LEU 5 3HD2 LEU 5 -0.542 -1.728 -3.966 42 H LEU 6 H LEU 6 3.635 -2.904 -0.471 43 HA LEU 6 HA LEU 6 1.592 -1.502 0.836 44 1HB LEU 6 1HB LEU 6 3.260 -3.500 1.486 45 2HB LEU 6 2HB LEU 6 3.978 -2.215 2.419 46 HG LEU 6 HG LEU 6 2.413 -3.529 3.761 47 1HD1 LEU 6 1HD1 LEU 6 1.089 -1.700 4.655 48 2HD1 LEU 6 2HD1 LEU 6 1.389 -0.751 3.198 49 3HD1 LEU 6 3HD1 LEU 6 2.724 -1.161 4.274 50 1HD2 LEU 6 1HD2 LEU 6 0.032 -3.521 3.299 51 2HD2 LEU 6 2HD2 LEU 6 0.917 -4.229 1.948 52 3HD2 LEU 6 3HD2 LEU 6 0.300 -2.581 1.832 53 H GLY 7 H GLY 7 5.070 -0.804 0.587 54 1HA GLY 7 1HA GLY 7 5.037 1.496 2.239 55 2HA GLY 7 2HA GLY 7 6.254 1.115 1.038 56 H GLN 8 H GLN 8 4.283 0.954 -1.127 57 HA GLN 8 HA GLN 8 4.236 3.768 -1.817 58 1HB GLN 8 1HB GLN 8 4.391 1.491 -3.311 59 2HB GLN 8 2HB GLN 8 2.682 1.869 -3.474 60 1HG GLN 8 1HG GLN 8 4.925 3.779 -4.088 61 2HG GLN 8 2HG GLN 8 4.083 2.794 -5.282 62 1HE2 GLN 8 1HE2 GLN 8 3.988 5.620 -3.332 63 2HE2 GLN 8 2HE2 GLN 8 2.480 6.237 -3.913 64 H TRP 9 H TRP 9 1.986 1.240 -0.966 65 HA TRP 9 HA TRP 9 -0.444 2.635 -1.203 66 1HB TRP 9 1HB TRP 9 -0.234 0.188 -1.075 67 2HB TRP 9 2HB TRP 9 0.367 0.319 0.568 68 HD1 TRP 9 HD1 TRP 9 -2.793 1.716 -1.177 69 HE1 TRP 9 HE1 TRP 9 -4.818 1.170 0.329 70 HE3 TRP 9 HE3 TRP 9 -0.353 -0.748 2.539 71 HZ2 TRP 9 HZ2 TRP 9 -5.284 -0.142 2.803 72 HZ3 TRP 9 HZ3 TRP 9 -1.639 -1.607 4.449 73 HH2 TRP 9 HH2 TRP 9 -4.055 -1.297 4.572 74 H LEU 10 H LEU 10 1.822 2.116 1.451 75 HA LEU 10 HA LEU 10 0.311 3.449 3.456 76 1HB LEU 10 1HB LEU 10 2.272 1.795 3.708 77 2HB LEU 10 2HB LEU 10 3.304 3.193 3.478 78 HG LEU 10 HG LEU 10 1.458 3.924 5.474 79 1HD1 LEU 10 1HD1 LEU 10 0.920 1.557 5.755 80 2HD1 LEU 10 2HD1 LEU 10 1.770 2.195 7.162 81 3HD1 LEU 10 3HD1 LEU 10 2.629 1.194 5.992 82 1HD2 LEU 10 1HD2 LEU 10 3.448 4.013 6.882 83 2HD2 LEU 10 2HD2 LEU 10 3.777 4.671 5.279 84 3HD2 LEU 10 3HD2 LEU 10 4.337 3.052 5.700 85 H LYS 11 H LYS 11 2.641 4.533 1.066 86 HA LYS 11 HA LYS 11 3.275 7.045 2.139 87 1HB LYS 11 1HB LYS 11 4.430 5.935 0.214 88 2HB LYS 11 2HB LYS 11 3.046 6.336 -0.791 89 1HG LYS 11 1HG LYS 11 3.835 8.733 0.439 90 2HG LYS 11 2HG LYS 11 5.315 7.938 -0.102 91 1HD LYS 11 1HD LYS 11 4.755 9.086 -2.004 92 2HD LYS 11 2HD LYS 11 3.913 7.566 -2.302 93 1HE LYS 11 1HE LYS 11 2.353 9.528 -0.785 94 2HE LYS 11 2HE LYS 11 2.779 10.051 -2.413 95 1HZ LYS 11 1HZ LYS 11 1.672 8.233 -3.354 96 2HZ LYS 11 2HZ LYS 11 0.625 8.784 -2.147 97 3HZ LYS 11 3HZ LYS 11 1.565 7.403 -1.885 98 H ASP 12 H ASP 12 0.501 5.932 0.292 99 HA ASP 12 HA ASP 12 -0.574 8.636 0.081 100 1HB ASP 12 1HB ASP 12 -0.635 6.754 -1.742 101 2HB ASP 12 2HB ASP 12 -2.030 6.180 -0.838 102 H GLY 13 H GLY 13 -0.362 6.930 2.664 103 1HA GLY 13 1HA GLY 13 -1.625 7.215 4.618 104 2HA GLY 13 2HA GLY 13 -3.012 7.653 3.634 105 H GLY 14 H GLY 14 -1.149 4.763 2.979 106 1HA GLY 14 1HA GLY 14 -1.819 2.578 2.824 107 2HA GLY 14 2HA GLY 14 -2.251 2.826 4.506 108 HA PRO 15 HA PRO 15 -6.232 1.257 3.100 109 1HB PRO 15 1HB PRO 15 -6.853 2.355 5.800 110 2HB PRO 15 2HB PRO 15 -7.319 0.817 5.086 111 1HG PRO 15 1HG PRO 15 -5.361 0.909 6.860 112 2HG PRO 15 2HG PRO 15 -5.192 -0.106 5.414 113 1HD PRO 15 1HD PRO 15 -3.961 2.552 6.013 114 2HD PRO 15 2HD PRO 15 -3.270 1.163 5.159 115 H SER 16 H SER 16 -5.717 4.451 4.556 116 HA SER 16 HA SER 16 -8.235 5.399 3.489 117 1HB SER 16 1HB SER 16 -7.099 6.053 5.764 118 2HB SER 16 2HB SER 16 -6.222 7.215 4.770 119 HG SER 16 HG SER 16 -8.364 7.822 5.770 120 H SER 17 H SER 17 -5.976 4.596 1.669 121 HA SER 17 HA SER 17 -5.177 7.101 0.425 122 1HB SER 17 1HB SER 17 -3.817 5.719 -1.049 123 2HB SER 17 2HB SER 17 -3.559 5.224 0.622 124 HG SER 17 HG SER 17 -4.349 3.732 -1.417 125 H GLY 18 H GLY 18 -7.216 4.296 -0.256 126 1HA GLY 18 1HA GLY 18 -9.307 5.209 -1.527 127 2HA GLY 18 2HA GLY 18 -8.107 5.500 -2.780 128 H ARG 19 H ARG 19 -6.515 3.225 -2.430 129 HA ARG 19 HA ARG 19 -8.309 1.165 -3.491 130 1HB ARG 19 1HB ARG 19 -6.298 0.140 -4.429 131 2HB ARG 19 2HB ARG 19 -6.422 1.824 -4.915 132 1HG ARG 19 1HG ARG 19 -4.714 2.477 -3.399 133 2HG ARG 19 2HG ARG 19 -4.720 0.896 -2.615 134 1HD ARG 19 1HD ARG 19 -2.820 0.963 -4.043 135 2HD ARG 19 2HD ARG 19 -4.011 -0.090 -4.806 136 HE ARG 19 HE ARG 19 -4.124 2.646 -5.697 137 1HH1 ARG 19 1HH1 ARG 19 -2.625 -0.477 -6.216 138 2HH1 ARG 19 2HH1 ARG 19 -2.228 -0.147 -7.868 139 1HH2 ARG 19 1HH2 ARG 19 -3.598 3.073 -7.872 140 2HH2 ARG 19 2HH2 ARG 19 -2.779 1.868 -8.809 141 HA PRO 20 HA PRO 20 -7.894 -1.449 0.039 142 1HB PRO 20 1HB PRO 20 -7.848 -3.924 -1.095 143 2HB PRO 20 2HB PRO 20 -9.311 -2.940 -0.977 144 1HG PRO 20 1HG PRO 20 -7.464 -3.314 -3.303 145 2HG PRO 20 2HG PRO 20 -9.237 -3.288 -3.275 146 1HD PRO 20 1HD PRO 20 -7.777 -1.152 -4.046 147 2HD PRO 20 2HD PRO 20 -9.328 -0.982 -3.199 148 HA PRO 21 HA PRO 21 -3.671 -2.365 0.946 149 1HB PRO 21 1HB PRO 21 -4.617 -4.901 2.167 150 2HB PRO 21 2HB PRO 21 -3.659 -3.598 2.878 151 1HG PRO 21 1HG PRO 21 -6.240 -3.925 3.499 152 2HG PRO 21 2HG PRO 21 -5.518 -2.313 3.357 153 1HD PRO 21 1HD PRO 21 -7.319 -3.757 1.475 154 2HD PRO 21 2HD PRO 21 -7.217 -2.023 1.836 155 HA PRO 22 HA PRO 22 -2.485 -5.195 -2.294 156 1HB PRO 22 1HB PRO 22 0.192 -5.021 -2.005 157 2HB PRO 22 2HB PRO 22 -0.770 -3.702 -2.679 158 1HG PRO 22 1HG PRO 22 0.321 -4.030 0.085 159 2HG PRO 22 2HG PRO 22 0.271 -2.580 -0.932 160 1HD PRO 22 1HD PRO 22 -1.516 -3.083 1.075 161 2HD PRO 22 2HD PRO 22 -1.895 -2.102 -0.351 162 H SER 23 H SER 23 -3.498 -6.868 -0.773 163 HA SER 23 HA SER 23 -1.500 -8.898 -0.236 164 1HB SER 23 1HB SER 23 -3.255 -7.710 1.902 165 2HB SER 23 2HB SER 23 -2.647 -9.360 2.032 166 HG SER 23 HG SER 23 -0.982 -8.376 2.879 Start of MODEL 17 1 H ALA 1 H ALA 1 4.974 -5.745 -6.877 2 HA ALA 1 HA ALA 1 5.416 -7.706 -5.619 3 1HB ALA 1 1HB ALA 1 7.391 -5.990 -4.118 4 2HB ALA 1 2HB ALA 1 7.801 -7.296 -5.230 5 3HB ALA 1 3HB ALA 1 6.945 -7.651 -3.729 6 H LEU 2 H LEU 2 4.279 -8.095 -3.657 7 HA LEU 2 HA LEU 2 2.260 -6.216 -3.081 8 1HB LEU 2 1HB LEU 2 3.107 -8.833 -1.947 9 2HB LEU 2 2HB LEU 2 2.044 -7.835 -0.973 10 HG LEU 2 HG LEU 2 0.474 -7.756 -2.952 11 1HD1 LEU 2 1HD1 LEU 2 2.364 -9.878 -3.950 12 2HD1 LEU 2 2HD1 LEU 2 1.954 -8.352 -4.732 13 3HD1 LEU 2 3HD1 LEU 2 0.738 -9.621 -4.583 14 1HD2 LEU 2 1HD2 LEU 2 -0.258 -10.176 -2.596 15 2HD2 LEU 2 2HD2 LEU 2 -0.169 -9.138 -1.175 16 3HD2 LEU 2 3HD2 LEU 2 1.116 -10.303 -1.498 17 H GLN 3 H GLN 3 4.968 -7.338 -1.028 18 HA GLN 3 HA GLN 3 4.552 -5.574 1.095 19 1HB GLN 3 1HB GLN 3 6.268 -7.594 0.686 20 2HB GLN 3 2HB GLN 3 7.361 -6.249 0.393 21 1HG GLN 3 1HG GLN 3 7.537 -6.900 2.683 22 2HG GLN 3 2HG GLN 3 6.748 -5.326 2.605 23 1HE2 GLN 3 1HE2 GLN 3 6.293 -8.739 3.207 24 2HE2 GLN 3 2HE2 GLN 3 4.776 -8.590 4.025 25 H GLU 4 H GLU 4 6.368 -5.148 -1.909 26 HA GLU 4 HA GLU 4 7.547 -2.662 -1.278 27 1HB GLU 4 1HB GLU 4 8.347 -4.019 -3.135 28 2HB GLU 4 2HB GLU 4 6.801 -3.858 -3.955 29 1HG GLU 4 1HG GLU 4 8.014 -1.292 -3.312 30 2HG GLU 4 2HG GLU 4 9.022 -2.295 -4.355 31 H LEU 5 H LEU 5 4.480 -3.535 -2.831 32 HA LEU 5 HA LEU 5 3.654 -0.920 -3.489 33 1HB LEU 5 1HB LEU 5 2.693 -3.404 -4.001 34 2HB LEU 5 2HB LEU 5 1.553 -2.871 -2.780 35 HG LEU 5 HG LEU 5 2.133 -1.473 -5.394 36 1HD1 LEU 5 1HD1 LEU 5 -0.450 -2.730 -4.533 37 2HD1 LEU 5 2HD1 LEU 5 0.792 -3.644 -5.388 38 3HD1 LEU 5 3HD1 LEU 5 0.055 -2.233 -6.148 39 1HD2 LEU 5 1HD2 LEU 5 0.356 -0.748 -3.078 40 2HD2 LEU 5 2HD2 LEU 5 0.110 -0.110 -4.704 41 3HD2 LEU 5 3HD2 LEU 5 1.612 0.225 -3.841 42 H LEU 6 H LEU 6 3.409 -2.806 -0.535 43 HA LEU 6 HA LEU 6 1.468 -1.392 0.866 44 1HB LEU 6 1HB LEU 6 3.313 -3.385 1.395 45 2HB LEU 6 2HB LEU 6 3.710 -2.137 2.545 46 HG LEU 6 HG LEU 6 2.140 -3.879 3.404 47 1HD1 LEU 6 1HD1 LEU 6 0.452 -2.168 4.273 48 2HD1 LEU 6 2HD1 LEU 6 1.361 -0.985 3.332 49 3HD1 LEU 6 3HD1 LEU 6 2.159 -1.889 4.618 50 1HD2 LEU 6 1HD2 LEU 6 0.150 -4.342 2.468 51 2HD2 LEU 6 2HD2 LEU 6 0.888 -3.671 1.014 52 3HD2 LEU 6 3HD2 LEU 6 -0.150 -2.662 2.022 53 H GLY 7 H GLY 7 4.973 -0.776 0.671 54 1HA GLY 7 1HA GLY 7 4.990 1.440 2.427 55 2HA GLY 7 2HA GLY 7 6.210 1.078 1.222 56 H GLN 8 H GLN 8 4.425 1.129 -1.029 57 HA GLN 8 HA GLN 8 4.419 3.970 -1.529 58 1HB GLN 8 1HB GLN 8 4.495 1.722 -3.140 59 2HB GLN 8 2HB GLN 8 2.858 2.314 -3.386 60 1HG GLN 8 1HG GLN 8 5.423 3.816 -3.848 61 2HG GLN 8 2HG GLN 8 4.286 3.240 -5.065 62 1HE2 GLN 8 1HE2 GLN 8 2.073 4.156 -4.939 63 2HE2 GLN 8 2HE2 GLN 8 1.909 5.815 -4.480 64 H TRP 9 H TRP 9 2.102 1.461 -0.871 65 HA TRP 9 HA TRP 9 -0.307 2.870 -1.135 66 1HB TRP 9 1HB TRP 9 -0.111 0.428 -1.062 67 2HB TRP 9 2HB TRP 9 0.471 0.510 0.590 68 HD1 TRP 9 HD1 TRP 9 -2.678 1.909 -1.168 69 HE1 TRP 9 HE1 TRP 9 -4.718 1.306 0.295 70 HE3 TRP 9 HE3 TRP 9 -0.257 -0.573 2.549 71 HZ2 TRP 9 HZ2 TRP 9 -5.203 -0.049 2.738 72 HZ3 TRP 9 HZ3 TRP 9 -1.565 -1.478 4.427 73 HH2 TRP 9 HH2 TRP 9 -3.988 -1.203 4.512 74 H LEU 10 H LEU 10 1.848 2.258 1.594 75 HA LEU 10 HA LEU 10 0.289 3.548 3.576 76 1HB LEU 10 1HB LEU 10 2.264 1.904 3.834 77 2HB LEU 10 2HB LEU 10 3.281 3.323 3.685 78 HG LEU 10 HG LEU 10 1.170 3.655 5.677 79 1HD1 LEU 10 1HD1 LEU 10 3.246 1.513 6.121 80 2HD1 LEU 10 2HD1 LEU 10 1.509 1.255 5.963 81 3HD1 LEU 10 3HD1 LEU 10 2.145 2.158 7.338 82 1HD2 LEU 10 1HD2 LEU 10 3.037 4.464 7.011 83 2HD2 LEU 10 2HD2 LEU 10 3.080 5.168 5.395 84 3HD2 LEU 10 3HD2 LEU 10 4.178 3.853 5.813 85 H LYS 11 H LYS 11 2.733 4.714 1.324 86 HA LYS 11 HA LYS 11 3.290 7.199 2.480 87 1HB LYS 11 1HB LYS 11 3.395 6.137 -0.319 88 2HB LYS 11 2HB LYS 11 3.651 7.854 -0.039 89 1HG LYS 11 1HG LYS 11 5.634 7.519 1.070 90 2HG LYS 11 2HG LYS 11 5.211 5.875 1.551 91 1HD LYS 11 1HD LYS 11 6.665 5.338 -0.101 92 2HD LYS 11 2HD LYS 11 5.236 5.561 -1.112 93 1HE LYS 11 1HE LYS 11 5.985 7.532 -1.979 94 2HE LYS 11 2HE LYS 11 6.887 7.955 -0.524 95 1HZ LYS 11 1HZ LYS 11 8.343 7.441 -2.396 96 2HZ LYS 11 2HZ LYS 11 7.695 5.882 -2.493 97 3HZ LYS 11 3HZ LYS 11 8.571 6.348 -1.124 98 H ASP 12 H ASP 12 0.559 6.116 0.572 99 HA ASP 12 HA ASP 12 -0.527 8.836 0.463 100 1HB ASP 12 1HB ASP 12 -0.435 7.163 -1.539 101 2HB ASP 12 2HB ASP 12 -1.838 6.429 -0.773 102 H GLY 13 H GLY 13 -0.409 7.699 3.017 103 1HA GLY 13 1HA GLY 13 -1.749 7.532 4.875 104 2HA GLY 13 2HA GLY 13 -3.116 7.950 3.855 105 H GLY 14 H GLY 14 -1.084 5.190 3.144 106 1HA GLY 14 1HA GLY 14 -1.581 2.971 2.939 107 2HA GLY 14 2HA GLY 14 -2.257 3.157 4.549 108 HA PRO 15 HA PRO 15 -5.939 1.494 2.584 109 1HB PRO 15 1HB PRO 15 -7.018 2.457 5.182 110 2HB PRO 15 2HB PRO 15 -7.237 0.905 4.390 111 1HG PRO 15 1HG PRO 15 -5.592 1.145 6.456 112 2HG PRO 15 2HG PRO 15 -5.143 0.137 5.068 113 1HD PRO 15 1HD PRO 15 -4.184 2.868 5.813 114 2HD PRO 15 2HD PRO 15 -3.290 1.523 5.086 115 H SER 16 H SER 16 -5.847 4.634 4.243 116 HA SER 16 HA SER 16 -8.287 5.598 3.307 117 1HB SER 16 1HB SER 16 -7.625 7.719 4.082 118 2HB SER 16 2HB SER 16 -6.729 6.594 5.103 119 HG SER 16 HG SER 16 -5.155 7.890 4.459 120 H SER 17 H SER 17 -5.233 5.287 1.667 121 HA SER 17 HA SER 17 -5.325 7.185 -0.311 122 1HB SER 17 1HB SER 17 -3.938 5.740 -1.643 123 2HB SER 17 2HB SER 17 -3.503 5.489 0.046 124 HG SER 17 HG SER 17 -4.549 3.555 0.032 125 H GLY 18 H GLY 18 -6.908 3.989 -0.381 126 1HA GLY 18 1HA GLY 18 -9.291 4.419 -1.405 127 2HA GLY 18 2HA GLY 18 -8.321 4.739 -2.836 128 H ARG 19 H ARG 19 -6.379 2.817 -2.672 129 HA ARG 19 HA ARG 19 -7.854 0.468 -3.457 130 1HB ARG 19 1HB ARG 19 -5.640 -0.442 -4.055 131 2HB ARG 19 2HB ARG 19 -5.917 1.143 -4.761 132 1HG ARG 19 1HG ARG 19 -4.018 1.853 -3.881 133 2HG ARG 19 2HG ARG 19 -4.660 1.555 -2.265 134 1HD ARG 19 1HD ARG 19 -2.581 0.373 -2.517 135 2HD ARG 19 2HD ARG 19 -3.899 -0.791 -2.438 136 HE ARG 19 HE ARG 19 -2.380 -0.059 -4.847 137 1HH1 ARG 19 1HH1 ARG 19 -4.607 -2.228 -3.217 138 2HH1 ARG 19 2HH1 ARG 19 -4.535 -3.424 -4.464 139 1HH2 ARG 19 1HH2 ARG 19 -2.299 -1.642 -6.477 140 2HH2 ARG 19 2HH2 ARG 19 -3.227 -3.095 -6.310 141 HA PRO 20 HA PRO 20 -7.543 -1.824 0.304 142 1HB PRO 20 1HB PRO 20 -7.388 -4.367 -0.615 143 2HB PRO 20 2HB PRO 20 -8.871 -3.410 -0.707 144 1HG PRO 20 1HG PRO 20 -6.830 -3.949 -2.830 145 2HG PRO 20 2HG PRO 20 -8.599 -3.958 -2.951 146 1HD PRO 20 1HD PRO 20 -7.077 -1.864 -3.769 147 2HD PRO 20 2HD PRO 20 -8.723 -1.667 -3.133 148 HA PRO 21 HA PRO 21 -3.344 -2.499 1.500 149 1HB PRO 21 1HB PRO 21 -4.260 -5.016 2.788 150 2HB PRO 21 2HB PRO 21 -3.371 -3.652 3.472 151 1HG PRO 21 1HG PRO 21 -5.973 -4.032 3.989 152 2HG PRO 21 2HG PRO 21 -5.282 -2.409 3.825 153 1HD PRO 21 1HD PRO 21 -6.987 -3.941 1.935 154 2HD PRO 21 2HD PRO 21 -6.886 -2.191 2.204 155 HA PRO 22 HA PRO 22 -2.285 -5.502 -1.731 156 1HB PRO 22 1HB PRO 22 0.208 -4.053 -1.995 157 2HB PRO 22 2HB PRO 22 -1.144 -4.132 -3.124 158 1HG PRO 22 1HG PRO 22 -0.442 -1.871 -1.757 159 2HG PRO 22 2HG PRO 22 -2.087 -2.207 -2.325 160 1HD PRO 22 1HD PRO 22 -0.916 -2.562 0.409 161 2HD PRO 22 2HD PRO 22 -2.506 -1.921 -0.055 162 H SER 23 H SER 23 -2.110 -6.888 0.333 163 HA SER 23 HA SER 23 0.494 -8.066 0.379 164 1HB SER 23 1HB SER 23 -0.257 -6.184 2.506 165 2HB SER 23 2HB SER 23 0.272 -7.757 3.102 166 HG SER 23 HG SER 23 1.688 -5.936 1.464 Start of MODEL 18 1 H ALA 1 H ALA 1 6.545 -5.374 -5.370 2 HA ALA 1 HA ALA 1 6.315 -8.137 -4.377 3 1HB ALA 1 1HB ALA 1 8.591 -7.285 -4.232 4 2HB ALA 1 2HB ALA 1 7.864 -7.406 -2.630 5 3HB ALA 1 3HB ALA 1 8.008 -5.833 -3.416 6 H LEU 2 H LEU 2 5.337 -8.326 -2.310 7 HA LEU 2 HA LEU 2 3.028 -6.756 -1.946 8 1HB LEU 2 1HB LEU 2 3.411 -9.140 -1.183 9 2HB LEU 2 2HB LEU 2 4.332 -8.481 0.155 10 HG LEU 2 HG LEU 2 1.828 -7.144 0.122 11 1HD1 LEU 2 1HD1 LEU 2 0.261 -8.959 0.348 12 2HD1 LEU 2 2HD1 LEU 2 1.535 -10.142 0.054 13 3HD1 LEU 2 3HD1 LEU 2 1.033 -9.047 -1.234 14 1HD2 LEU 2 1HD2 LEU 2 2.883 -9.286 1.963 15 2HD2 LEU 2 2HD2 LEU 2 1.612 -8.119 2.330 16 3HD2 LEU 2 3HD2 LEU 2 3.267 -7.568 2.069 17 H GLN 3 H GLN 3 6.067 -6.865 -0.074 18 HA GLN 3 HA GLN 3 5.375 -4.827 1.748 19 1HB GLN 3 1HB GLN 3 7.326 -6.549 1.813 20 2HB GLN 3 2HB GLN 3 8.211 -5.336 0.899 21 1HG GLN 3 1HG GLN 3 7.777 -3.709 2.704 22 2HG GLN 3 2HG GLN 3 6.990 -4.988 3.628 23 1HE2 GLN 3 1HE2 GLN 3 10.013 -3.747 2.433 24 2HE2 GLN 3 2HE2 GLN 3 11.038 -4.746 3.407 25 H GLU 4 H GLU 4 7.057 -4.741 -1.373 26 HA GLU 4 HA GLU 4 7.796 -2.032 -1.343 27 1HB GLU 4 1HB GLU 4 8.732 -3.610 -2.948 28 2HB GLU 4 2HB GLU 4 7.152 -3.837 -3.684 29 1HG GLU 4 1HG GLU 4 8.360 -1.110 -3.579 30 2HG GLU 4 2HG GLU 4 8.903 -2.269 -4.792 31 H LEU 5 H LEU 5 4.929 -3.618 -2.758 32 HA LEU 5 HA LEU 5 3.692 -1.287 -3.712 33 1HB LEU 5 1HB LEU 5 3.152 -3.865 -4.021 34 2HB LEU 5 2HB LEU 5 2.021 -3.547 -2.720 35 HG LEU 5 HG LEU 5 2.065 -1.988 -5.301 36 1HD1 LEU 5 1HD1 LEU 5 -0.131 -3.386 -5.599 37 2HD1 LEU 5 2HD1 LEU 5 0.714 -4.538 -4.565 38 3HD1 LEU 5 3HD1 LEU 5 1.429 -4.040 -6.098 39 1HD2 LEU 5 1HD2 LEU 5 0.498 -1.882 -2.812 40 2HD2 LEU 5 2HD2 LEU 5 -0.439 -1.800 -4.304 41 3HD2 LEU 5 3HD2 LEU 5 0.837 -0.622 -3.999 42 H LEU 6 H LEU 6 3.465 -2.928 -0.576 43 HA LEU 6 HA LEU 6 1.406 -1.357 0.523 44 1HB LEU 6 1HB LEU 6 3.292 -3.322 1.432 45 2HB LEU 6 2HB LEU 6 3.119 -2.053 2.618 46 HG LEU 6 HG LEU 6 0.504 -2.736 1.807 47 1HD1 LEU 6 1HD1 LEU 6 1.673 -4.829 0.958 48 2HD1 LEU 6 2HD1 LEU 6 0.320 -5.059 2.065 49 3HD1 LEU 6 3HD1 LEU 6 1.977 -5.211 2.651 50 1HD2 LEU 6 1HD2 LEU 6 2.001 -3.473 4.319 51 2HD2 LEU 6 2HD2 LEU 6 0.250 -3.383 4.127 52 3HD2 LEU 6 3HD2 LEU 6 1.227 -1.919 4.011 53 H GLY 7 H GLY 7 4.937 -0.949 0.505 54 1HA GLY 7 1HA GLY 7 5.050 1.276 2.235 55 2HA GLY 7 2HA GLY 7 6.235 0.885 1.002 56 H GLN 8 H GLN 8 4.422 0.965 -1.202 57 HA GLN 8 HA GLN 8 4.426 3.802 -1.726 58 1HB GLN 8 1HB GLN 8 4.725 1.762 -3.383 59 2HB GLN 8 2HB GLN 8 2.970 1.831 -3.456 60 1HG GLN 8 1HG GLN 8 3.750 3.098 -5.272 61 2HG GLN 8 2HG GLN 8 3.208 4.264 -4.066 62 1HE2 GLN 8 1HE2 GLN 8 4.681 5.612 -3.099 63 2HE2 GLN 8 2HE2 GLN 8 6.329 5.735 -3.612 64 H TRP 9 H TRP 9 2.123 1.292 -0.988 65 HA TRP 9 HA TRP 9 -0.290 2.710 -1.281 66 1HB TRP 9 1HB TRP 9 -0.047 0.244 -1.139 67 2HB TRP 9 2HB TRP 9 0.403 0.407 0.549 68 HD1 TRP 9 HD1 TRP 9 -2.580 1.894 -1.420 69 HE1 TRP 9 HE1 TRP 9 -4.732 1.317 -0.119 70 HE3 TRP 9 HE3 TRP 9 -0.508 -0.805 2.358 71 HZ2 TRP 9 HZ2 TRP 9 -5.432 -0.100 2.231 72 HZ3 TRP 9 HZ3 TRP 9 -1.971 -1.731 4.105 73 HH2 TRP 9 HH2 TRP 9 -4.384 -1.374 4.038 74 H LEU 10 H LEU 10 1.920 2.204 1.409 75 HA LEU 10 HA LEU 10 0.351 3.530 3.379 76 1HB LEU 10 1HB LEU 10 2.396 1.873 3.575 77 2HB LEU 10 2HB LEU 10 3.321 3.362 3.602 78 HG LEU 10 HG LEU 10 1.715 4.064 5.513 79 1HD1 LEU 10 1HD1 LEU 10 0.109 2.254 5.215 80 2HD1 LEU 10 2HD1 LEU 10 0.841 2.194 6.819 81 3HD1 LEU 10 3HD1 LEU 10 1.366 1.069 5.567 82 1HD2 LEU 10 1HD2 LEU 10 4.085 3.633 5.826 83 2HD2 LEU 10 2HD2 LEU 10 3.779 1.897 5.895 84 3HD2 LEU 10 3HD2 LEU 10 3.155 2.954 7.162 85 H LYS 11 H LYS 11 2.825 4.593 1.107 86 HA LYS 11 HA LYS 11 3.457 7.081 2.183 87 1HB LYS 11 1HB LYS 11 4.351 5.793 0.057 88 2HB LYS 11 2HB LYS 11 3.167 6.787 -0.780 89 1HG LYS 11 1HG LYS 11 4.232 8.798 -0.020 90 2HG LYS 11 2HG LYS 11 5.335 7.875 1.002 91 1HD LYS 11 1HD LYS 11 6.762 7.812 -0.704 92 2HD LYS 11 2HD LYS 11 5.607 6.800 -1.571 93 1HE LYS 11 1HE LYS 11 5.284 9.772 -1.582 94 2HE LYS 11 2HE LYS 11 6.475 9.018 -2.641 95 1HZ LYS 11 1HZ LYS 11 4.826 7.869 -3.794 96 2HZ LYS 11 2HZ LYS 11 4.153 9.402 -3.563 97 3HZ LYS 11 3HZ LYS 11 3.661 8.109 -2.590 98 H ASP 12 H ASP 12 0.783 6.144 0.054 99 HA ASP 12 HA ASP 12 -0.284 8.788 -0.180 100 1HB ASP 12 1HB ASP 12 -0.633 6.791 -1.769 101 2HB ASP 12 2HB ASP 12 -1.839 6.239 -0.615 102 H GLY 13 H GLY 13 -0.968 5.972 1.845 103 1HA GLY 13 1HA GLY 13 -1.610 6.908 4.193 104 2HA GLY 13 2HA GLY 13 -3.019 7.477 3.312 105 H GLY 14 H GLY 14 -1.275 4.399 2.984 106 1HA GLY 14 1HA GLY 14 -2.089 2.259 2.875 107 2HA GLY 14 2HA GLY 14 -2.662 2.665 4.483 108 HA PRO 15 HA PRO 15 -6.521 1.188 2.624 109 1HB PRO 15 1HB PRO 15 -7.357 2.106 5.331 110 2HB PRO 15 2HB PRO 15 -7.749 0.613 4.486 111 1HG PRO 15 1HG PRO 15 -5.956 0.618 6.439 112 2HG PRO 15 2HG PRO 15 -5.676 -0.340 4.971 113 1HD PRO 15 1HD PRO 15 -4.463 2.270 5.784 114 2HD PRO 15 2HD PRO 15 -3.729 0.905 4.926 115 H SER 16 H SER 16 -6.204 4.195 4.516 116 HA SER 16 HA SER 16 -8.582 5.344 3.491 117 1HB SER 16 1HB SER 16 -8.022 7.286 4.707 118 2HB SER 16 2HB SER 16 -7.346 5.961 5.652 119 HG SER 16 HG SER 16 -6.073 7.988 4.277 120 H SER 17 H SER 17 -5.420 5.049 2.160 121 HA SER 17 HA SER 17 -5.072 7.303 0.622 122 1HB SER 17 1HB SER 17 -3.636 6.025 -0.768 123 2HB SER 17 2HB SER 17 -3.539 5.269 0.820 124 HG SER 17 HG SER 17 -4.877 3.636 0.100 125 H GLY 18 H GLY 18 -7.092 4.480 -0.099 126 1HA GLY 18 1HA GLY 18 -9.195 5.532 -1.335 127 2HA GLY 18 2HA GLY 18 -7.992 5.663 -2.610 128 H ARG 19 H ARG 19 -6.606 3.224 -1.928 129 HA ARG 19 HA ARG 19 -8.612 1.250 -2.806 130 1HB ARG 19 1HB ARG 19 -6.770 0.100 -3.968 131 2HB ARG 19 2HB ARG 19 -6.980 1.745 -4.551 132 1HG ARG 19 1HG ARG 19 -4.887 2.267 -4.036 133 2HG ARG 19 2HG ARG 19 -5.080 1.673 -2.387 134 1HD ARG 19 1HD ARG 19 -3.324 0.419 -3.399 135 2HD ARG 19 2HD ARG 19 -4.726 -0.640 -3.263 136 HE ARG 19 HE ARG 19 -4.884 -0.704 -5.558 137 1HH1 ARG 19 1HH1 ARG 19 -2.549 1.738 -4.632 138 2HH1 ARG 19 2HH1 ARG 19 -1.950 1.948 -6.242 139 1HH2 ARG 19 1HH2 ARG 19 -4.088 -0.421 -7.675 140 2HH2 ARG 19 2HH2 ARG 19 -2.823 0.723 -7.969 141 HA PRO 20 HA PRO 20 -7.578 -1.290 0.668 142 1HB PRO 20 1HB PRO 20 -7.803 -3.792 -0.321 143 2HB PRO 20 2HB PRO 20 -9.205 -2.738 -0.104 144 1HG PRO 20 1HG PRO 20 -7.656 -3.339 -2.594 145 2HG PRO 20 2HG PRO 20 -9.411 -3.232 -2.367 146 1HD PRO 20 1HD PRO 20 -7.917 -1.213 -3.419 147 2HD PRO 20 2HD PRO 20 -9.413 -0.939 -2.505 148 HA PRO 21 HA PRO 21 -3.352 -2.574 0.835 149 1HB PRO 21 1HB PRO 21 -3.446 -5.076 1.982 150 2HB PRO 21 2HB PRO 21 -3.576 -3.560 2.878 151 1HG PRO 21 1HG PRO 21 -5.738 -5.404 1.947 152 2HG PRO 21 2HG PRO 21 -5.590 -4.536 3.486 153 1HD PRO 21 1HD PRO 21 -7.221 -3.677 1.535 154 2HD PRO 21 2HD PRO 21 -6.342 -2.542 2.580 155 HA PRO 22 HA PRO 22 -2.585 -5.078 -2.748 156 1HB PRO 22 1HB PRO 22 0.101 -5.253 -2.613 157 2HB PRO 22 2HB PRO 22 -0.723 -3.742 -3.009 158 1HG PRO 22 1HG PRO 22 0.471 -4.627 -0.420 159 2HG PRO 22 2HG PRO 22 0.516 -3.030 -1.185 160 1HD PRO 22 1HD PRO 22 -1.198 -3.718 0.848 161 2HD PRO 22 2HD PRO 22 -1.523 -2.437 -0.334 162 H SER 23 H SER 23 -3.727 -6.829 -1.373 163 HA SER 23 HA SER 23 -2.043 -9.170 -1.409 164 1HB SER 23 1HB SER 23 -1.764 -8.182 0.907 165 2HB SER 23 2HB SER 23 -3.478 -8.510 1.169 166 HG SER 23 HG SER 23 -1.331 -10.282 0.945 Start of MODEL 19 1 H ALA 1 H ALA 1 4.817 -6.517 -5.716 2 HA ALA 1 HA ALA 1 5.630 -8.268 -4.342 3 1HB ALA 1 1HB ALA 1 7.396 -8.012 -2.821 4 2HB ALA 1 2HB ALA 1 7.412 -6.257 -3.000 5 3HB ALA 1 3HB ALA 1 7.985 -7.284 -4.315 6 H LEU 2 H LEU 2 5.062 -8.442 -1.997 7 HA LEU 2 HA LEU 2 2.707 -6.994 -1.443 8 1HB LEU 2 1HB LEU 2 3.075 -9.252 -0.598 9 2HB LEU 2 2HB LEU 2 4.416 -8.693 0.381 10 HG LEU 2 HG LEU 2 2.090 -9.132 1.474 11 1HD1 LEU 2 1HD1 LEU 2 3.250 -6.494 2.233 12 2HD1 LEU 2 2HD1 LEU 2 4.242 -7.946 2.368 13 3HD1 LEU 2 3HD1 LEU 2 2.722 -7.832 3.253 14 1HD2 LEU 2 1HD2 LEU 2 1.582 -6.259 0.904 15 2HD2 LEU 2 2HD2 LEU 2 0.453 -7.549 1.317 16 3HD2 LEU 2 3HD2 LEU 2 1.117 -7.448 -0.314 17 H GLN 3 H GLN 3 5.843 -6.940 0.279 18 HA GLN 3 HA GLN 3 5.183 -4.694 1.873 19 1HB GLN 3 1HB GLN 3 7.256 -6.547 1.795 20 2HB GLN 3 2HB GLN 3 8.040 -5.021 1.416 21 1HG GLN 3 1HG GLN 3 8.142 -5.392 3.778 22 2HG GLN 3 2HG GLN 3 7.053 -4.044 3.456 23 1HE2 GLN 3 1HE2 GLN 3 7.254 -7.409 4.401 24 2HE2 GLN 3 2HE2 GLN 3 5.675 -7.506 5.101 25 H GLU 4 H GLU 4 6.865 -5.037 -1.222 26 HA GLU 4 HA GLU 4 7.871 -2.449 -1.484 27 1HB GLU 4 1HB GLU 4 8.544 -4.159 -3.032 28 2HB GLU 4 2HB GLU 4 6.891 -4.396 -3.575 29 1HG GLU 4 1HG GLU 4 8.116 -1.708 -3.906 30 2HG GLU 4 2HG GLU 4 8.624 -3.006 -4.984 31 H LEU 5 H LEU 5 4.765 -3.747 -2.678 32 HA LEU 5 HA LEU 5 3.793 -1.243 -3.586 33 1HB LEU 5 1HB LEU 5 3.026 -3.634 -4.201 34 2HB LEU 5 2HB LEU 5 2.022 -3.525 -2.769 35 HG LEU 5 HG LEU 5 1.869 -1.412 -4.894 36 1HD1 LEU 5 1HD1 LEU 5 1.566 -3.883 -5.720 37 2HD1 LEU 5 2HD1 LEU 5 0.450 -2.615 -6.229 38 3HD1 LEU 5 3HD1 LEU 5 -0.006 -3.725 -4.936 39 1HD2 LEU 5 1HD2 LEU 5 0.289 -0.605 -3.562 40 2HD2 LEU 5 2HD2 LEU 5 0.586 -1.910 -2.415 41 3HD2 LEU 5 3HD2 LEU 5 -0.612 -2.116 -3.693 42 H LEU 6 H LEU 6 3.616 -2.920 -0.499 43 HA LEU 6 HA LEU 6 1.558 -1.461 0.719 44 1HB LEU 6 1HB LEU 6 3.169 -3.483 1.460 45 2HB LEU 6 2HB LEU 6 3.851 -2.197 2.418 46 HG LEU 6 HG LEU 6 2.212 -3.467 3.699 47 1HD1 LEU 6 1HD1 LEU 6 2.489 -1.077 4.158 48 2HD1 LEU 6 2HD1 LEU 6 0.845 -1.626 4.483 49 3HD1 LEU 6 3HD1 LEU 6 1.197 -0.713 3.015 50 1HD2 LEU 6 1HD2 LEU 6 -0.131 -3.503 3.106 51 2HD2 LEU 6 2HD2 LEU 6 0.826 -4.202 1.800 52 3HD2 LEU 6 3HD2 LEU 6 0.194 -2.562 1.650 53 H GLY 7 H GLY 7 5.060 -0.838 0.577 54 1HA GLY 7 1HA GLY 7 5.034 1.479 2.200 55 2HA GLY 7 2HA GLY 7 6.264 1.070 1.019 56 H GLN 8 H GLN 8 4.313 0.918 -1.169 57 HA GLN 8 HA GLN 8 4.321 3.718 -1.903 58 1HB GLN 8 1HB GLN 8 3.284 1.225 -3.266 59 2HB GLN 8 2HB GLN 8 3.089 2.830 -3.957 60 1HG GLN 8 1HG GLN 8 5.810 1.913 -3.168 61 2HG GLN 8 2HG GLN 8 5.087 1.297 -4.652 62 1HE2 GLN 8 1HE2 GLN 8 6.145 4.188 -2.966 63 2HE2 GLN 8 2HE2 GLN 8 6.314 5.175 -4.376 64 H TRP 9 H TRP 9 2.008 1.254 -1.017 65 HA TRP 9 HA TRP 9 -0.382 2.729 -1.262 66 1HB TRP 9 1HB TRP 9 -0.220 0.263 -1.136 67 2HB TRP 9 2HB TRP 9 0.317 0.394 0.529 68 HD1 TRP 9 HD1 TRP 9 -2.714 1.986 -1.284 69 HE1 TRP 9 HE1 TRP 9 -4.816 1.467 0.121 70 HE3 TRP 9 HE3 TRP 9 -0.539 -0.795 2.374 71 HZ2 TRP 9 HZ2 TRP 9 -5.439 0.058 2.501 72 HZ3 TRP 9 HZ3 TRP 9 -1.939 -1.688 4.190 73 HH2 TRP 9 HH2 TRP 9 -4.338 -1.258 4.246 74 H LEU 10 H LEU 10 1.873 2.145 1.384 75 HA LEU 10 HA LEU 10 0.411 3.484 3.410 76 1HB LEU 10 1HB LEU 10 2.304 1.837 3.722 77 2HB LEU 10 2HB LEU 10 3.403 3.137 3.301 78 HG LEU 10 HG LEU 10 2.430 4.438 5.246 79 1HD1 LEU 10 1HD1 LEU 10 1.248 1.736 5.869 80 2HD1 LEU 10 2HD1 LEU 10 0.367 3.231 5.553 81 3HD1 LEU 10 3HD1 LEU 10 1.353 3.078 7.008 82 1HD2 LEU 10 1HD2 LEU 10 3.811 3.306 6.879 83 2HD2 LEU 10 2HD2 LEU 10 4.613 3.295 5.309 84 3HD2 LEU 10 3HD2 LEU 10 3.813 1.839 5.900 85 H LYS 11 H LYS 11 2.666 4.582 0.963 86 HA LYS 11 HA LYS 11 3.335 7.091 2.014 87 1HB LYS 11 1HB LYS 11 4.363 5.956 0.006 88 2HB LYS 11 2HB LYS 11 2.946 6.443 -0.913 89 1HG LYS 11 1HG LYS 11 3.483 8.728 -0.730 90 2HG LYS 11 2HG LYS 11 4.672 8.425 0.538 91 1HD LYS 11 1HD LYS 11 5.794 8.876 -1.566 92 2HD LYS 11 2HD LYS 11 6.063 7.202 -1.082 93 1HE LYS 11 1HE LYS 11 5.594 7.246 -3.432 94 2HE LYS 11 2HE LYS 11 4.217 6.524 -2.601 95 1HZ LYS 11 1HZ LYS 11 2.964 8.487 -2.871 96 2HZ LYS 11 2HZ LYS 11 3.676 8.193 -4.375 97 3HZ LYS 11 3HZ LYS 11 4.309 9.389 -3.362 98 H ASP 12 H ASP 12 0.460 5.936 0.392 99 HA ASP 12 HA ASP 12 -0.672 8.637 0.305 100 1HB ASP 12 1HB ASP 12 -0.726 6.847 -1.631 101 2HB ASP 12 2HB ASP 12 -2.103 6.217 -0.736 102 H GLY 13 H GLY 13 -0.275 7.297 2.848 103 1HA GLY 13 1HA GLY 13 -1.427 7.131 4.831 104 2HA GLY 13 2HA GLY 13 -2.858 7.694 3.984 105 H GLY 14 H GLY 14 -1.126 4.856 2.899 106 1HA GLY 14 1HA GLY 14 -1.807 2.693 2.633 107 2HA GLY 14 2HA GLY 14 -2.272 2.818 4.321 108 HA PRO 15 HA PRO 15 -6.286 1.554 2.751 109 1HB PRO 15 1HB PRO 15 -6.969 2.495 5.492 110 2HB PRO 15 2HB PRO 15 -7.422 1.004 4.676 111 1HG PRO 15 1HG PRO 15 -5.530 0.997 6.536 112 2HG PRO 15 2HG PRO 15 -5.341 0.025 5.064 113 1HD PRO 15 1HD PRO 15 -4.058 2.622 5.795 114 2HD PRO 15 2HD PRO 15 -3.379 1.244 4.912 115 H SER 16 H SER 16 -5.785 4.574 4.567 116 HA SER 16 HA SER 16 -8.188 5.805 3.922 117 1HB SER 16 1HB SER 16 -7.255 7.811 4.718 118 2HB SER 16 2HB SER 16 -6.358 6.560 5.577 119 HG SER 16 HG SER 16 -5.491 8.395 3.729 120 H SER 17 H SER 17 -5.325 5.365 1.973 121 HA SER 17 HA SER 17 -5.459 7.337 0.084 122 1HB SER 17 1HB SER 17 -4.328 5.861 -1.422 123 2HB SER 17 2HB SER 17 -3.794 5.430 0.201 124 HG SER 17 HG SER 17 -4.421 3.649 -1.242 125 H GLY 18 H GLY 18 -7.360 4.332 0.132 126 1HA GLY 18 1HA GLY 18 -9.774 4.852 -0.581 127 2HA GLY 18 2HA GLY 18 -9.009 5.376 -2.075 128 H ARG 19 H ARG 19 -7.003 3.359 -2.172 129 HA ARG 19 HA ARG 19 -8.641 1.114 -3.075 130 1HB ARG 19 1HB ARG 19 -6.601 0.392 -4.258 131 2HB ARG 19 2HB ARG 19 -7.057 2.037 -4.680 132 1HG ARG 19 1HG ARG 19 -5.069 2.793 -4.066 133 2HG ARG 19 2HG ARG 19 -5.256 2.095 -2.457 134 1HD ARG 19 1HD ARG 19 -3.285 1.163 -3.413 135 2HD ARG 19 2HD ARG 19 -4.519 -0.096 -3.414 136 HE ARG 19 HE ARG 19 -4.466 1.334 -5.879 137 1HH1 ARG 19 1HH1 ARG 19 -2.830 -1.187 -4.081 138 2HH1 ARG 19 2HH1 ARG 19 -2.227 -1.976 -5.498 139 1HH2 ARG 19 1HH2 ARG 19 -3.669 0.288 -7.744 140 2HH2 ARG 19 2HH2 ARG 19 -2.702 -1.139 -7.578 141 HA PRO 20 HA PRO 20 -7.379 -1.549 0.221 142 1HB PRO 20 1HB PRO 20 -7.410 -3.972 -0.977 143 2HB PRO 20 2HB PRO 20 -8.887 -3.070 -0.621 144 1HG PRO 20 1HG PRO 20 -7.401 -3.330 -3.204 145 2HG PRO 20 2HG PRO 20 -9.149 -3.369 -2.909 146 1HD PRO 20 1HD PRO 20 -7.836 -1.166 -3.833 147 2HD PRO 20 2HD PRO 20 -9.317 -1.081 -2.861 148 HA PRO 21 HA PRO 21 -3.044 -2.382 0.153 149 1HB PRO 21 1HB PRO 21 -2.858 -4.745 1.521 150 2HB PRO 21 2HB PRO 21 -3.128 -3.181 2.292 151 1HG PRO 21 1HG PRO 21 -5.099 -5.319 1.596 152 2HG PRO 21 2HG PRO 21 -5.002 -4.317 3.056 153 1HD PRO 21 1HD PRO 21 -6.765 -3.810 1.077 154 2HD PRO 21 2HD PRO 21 -6.026 -2.514 2.038 155 HA PRO 22 HA PRO 22 -1.927 -5.028 -3.191 156 1HB PRO 22 1HB PRO 22 0.540 -5.925 -2.383 157 2HB PRO 22 2HB PRO 22 0.239 -4.334 -3.085 158 1HG PRO 22 1HG PRO 22 0.544 -5.113 -0.219 159 2HG PRO 22 2HG PRO 22 1.156 -3.680 -1.062 160 1HD PRO 22 1HD PRO 22 -1.023 -3.594 0.521 161 2HD PRO 22 2HD PRO 22 -0.872 -2.582 -0.929 162 H SER 23 H SER 23 -1.458 -6.390 0.030 163 HA SER 23 HA SER 23 -2.040 -8.409 0.914 164 1HB SER 23 1HB SER 23 -3.917 -8.231 -0.913 165 2HB SER 23 2HB SER 23 -2.968 -9.473 -1.730 166 HG SER 23 HG SER 23 -4.423 -9.608 0.641 Start of MODEL 20 1 H ALA 1 H ALA 1 4.657 -7.954 -6.538 2 HA ALA 1 HA ALA 1 5.447 -7.596 -4.348 3 1HB ALA 1 1HB ALA 1 5.773 -5.901 -6.178 4 2HB ALA 1 2HB ALA 1 5.915 -5.277 -4.536 5 3HB ALA 1 3HB ALA 1 4.446 -4.985 -5.465 6 H LEU 2 H LEU 2 4.752 -7.835 -2.333 7 HA LEU 2 HA LEU 2 2.168 -6.688 -1.554 8 1HB LEU 2 1HB LEU 2 3.826 -8.595 0.079 9 2HB LEU 2 2HB LEU 2 2.118 -8.238 0.239 10 HG LEU 2 HG LEU 2 3.310 -9.654 -2.144 11 1HD1 LEU 2 1HD1 LEU 2 1.942 -10.824 0.274 12 2HD1 LEU 2 2HD1 LEU 2 3.653 -10.982 -0.128 13 3HD1 LEU 2 3HD1 LEU 2 2.431 -11.711 -1.170 14 1HD2 LEU 2 1HD2 LEU 2 0.449 -9.642 -1.235 15 2HD2 LEU 2 2HD2 LEU 2 1.107 -10.109 -2.802 16 3HD2 LEU 2 3HD2 LEU 2 1.086 -8.411 -2.325 17 H GLN 3 H GLN 3 5.437 -7.090 -0.164 18 HA GLN 3 HA GLN 3 5.017 -5.043 1.794 19 1HB GLN 3 1HB GLN 3 7.374 -6.694 0.942 20 2HB GLN 3 2HB GLN 3 7.599 -5.325 2.021 21 1HG GLN 3 1HG GLN 3 7.280 -6.865 3.615 22 2HG GLN 3 2HG GLN 3 5.575 -6.574 3.273 23 1HE2 GLN 3 1HE2 GLN 3 8.178 -8.810 3.118 24 2HE2 GLN 3 2HE2 GLN 3 7.281 -10.148 2.486 25 H GLU 4 H GLU 4 6.749 -5.242 -1.297 26 HA GLU 4 HA GLU 4 7.954 -2.702 -1.214 27 1HB GLU 4 1HB GLU 4 7.264 -4.631 -3.391 28 2HB GLU 4 2HB GLU 4 7.755 -3.002 -3.832 29 1HG GLU 4 1HG GLU 4 9.818 -3.345 -2.462 30 2HG GLU 4 2HG GLU 4 9.337 -5.031 -2.276 31 H LEU 5 H LEU 5 4.816 -3.764 -2.501 32 HA LEU 5 HA LEU 5 4.069 -1.202 -3.496 33 1HB LEU 5 1HB LEU 5 3.129 -3.626 -3.983 34 2HB LEU 5 2HB LEU 5 2.017 -3.214 -2.692 35 HG LEU 5 HG LEU 5 2.396 -1.462 -5.113 36 1HD1 LEU 5 1HD1 LEU 5 0.371 -2.491 -6.026 37 2HD1 LEU 5 2HD1 LEU 5 0.376 -3.664 -4.709 38 3HD1 LEU 5 3HD1 LEU 5 1.689 -3.653 -5.888 39 1HD2 LEU 5 1HD2 LEU 5 1.172 -0.103 -3.829 40 2HD2 LEU 5 2HD2 LEU 5 0.767 -1.389 -2.694 41 3HD2 LEU 5 3HD2 LEU 5 -0.170 -1.193 -4.175 42 H LEU 6 H LEU 6 3.762 -2.802 -0.396 43 HA LEU 6 HA LEU 6 1.762 -1.303 0.820 44 1HB LEU 6 1HB LEU 6 3.619 -3.203 1.586 45 2HB LEU 6 2HB LEU 6 3.984 -1.836 2.606 46 HG LEU 6 HG LEU 6 2.432 -3.449 3.661 47 1HD1 LEU 6 1HD1 LEU 6 2.350 -1.240 4.495 48 2HD1 LEU 6 2HD1 LEU 6 0.676 -1.748 4.272 49 3HD1 LEU 6 3HD1 LEU 6 1.434 -0.669 3.102 50 1HD2 LEU 6 1HD2 LEU 6 0.452 -2.561 1.570 51 2HD2 LEU 6 2HD2 LEU 6 0.186 -3.717 2.875 52 3HD2 LEU 6 3HD2 LEU 6 1.286 -4.115 1.555 53 H GLY 7 H GLY 7 5.253 -0.620 0.601 54 1HA GLY 7 1HA GLY 7 5.231 1.728 2.162 55 2HA GLY 7 2HA GLY 7 6.427 1.324 0.946 56 H GLN 8 H GLN 8 4.513 1.133 -1.217 57 HA GLN 8 HA GLN 8 4.395 3.937 -1.929 58 1HB GLN 8 1HB GLN 8 4.007 1.356 -3.293 59 2HB GLN 8 2HB GLN 8 2.930 2.626 -3.854 60 1HG GLN 8 1HG GLN 8 4.955 2.505 -5.197 61 2HG GLN 8 2HG GLN 8 4.827 4.049 -4.355 62 1HE2 GLN 8 1HE2 GLN 8 6.389 4.637 -2.932 63 2HE2 GLN 8 2HE2 GLN 8 7.791 3.684 -2.585 64 H TRP 9 H TRP 9 2.206 1.377 -1.036 65 HA TRP 9 HA TRP 9 -0.261 2.699 -1.347 66 1HB TRP 9 1HB TRP 9 0.063 0.252 -1.140 67 2HB TRP 9 2HB TRP 9 0.546 0.473 0.531 68 HD1 TRP 9 HD1 TRP 9 -2.533 1.849 -1.371 69 HE1 TRP 9 HE1 TRP 9 -4.632 1.214 -0.008 70 HE3 TRP 9 HE3 TRP 9 -0.276 -0.774 2.345 71 HZ2 TRP 9 HZ2 TRP 9 -5.220 -0.222 2.369 72 HZ3 TRP 9 HZ3 TRP 9 -1.653 -1.741 4.138 73 HH2 TRP 9 HH2 TRP 9 -4.075 -1.459 4.144 74 H LEU 10 H LEU 10 2.029 2.376 1.300 75 HA LEU 10 HA LEU 10 0.458 3.647 3.294 76 1HB LEU 10 1HB LEU 10 2.472 2.131 3.623 77 2HB LEU 10 2HB LEU 10 3.466 3.521 3.230 78 HG LEU 10 HG LEU 10 2.246 4.708 5.159 79 1HD1 LEU 10 1HD1 LEU 10 1.593 1.840 5.821 80 2HD1 LEU 10 2HD1 LEU 10 0.435 3.113 5.434 81 3HD1 LEU 10 3HD1 LEU 10 1.399 3.214 6.908 82 1HD2 LEU 10 1HD2 LEU 10 4.088 2.397 5.761 83 2HD2 LEU 10 2HD2 LEU 10 3.801 3.798 6.794 84 3HD2 LEU 10 3HD2 LEU 10 4.590 4.002 5.229 85 H LYS 11 H LYS 11 2.755 4.841 0.902 86 HA LYS 11 HA LYS 11 3.248 7.391 1.889 87 1HB LYS 11 1HB LYS 11 4.284 6.264 -0.144 88 2HB LYS 11 2HB LYS 11 2.855 6.764 -1.037 89 1HG LYS 11 1HG LYS 11 3.375 9.040 -0.814 90 2HG LYS 11 2HG LYS 11 4.561 8.729 0.456 91 1HD LYS 11 1HD LYS 11 5.072 7.381 -2.113 92 2HD LYS 11 2HD LYS 11 5.185 9.142 -2.147 93 1HE LYS 11 1HE LYS 11 6.557 7.552 -0.008 94 2HE LYS 11 2HE LYS 11 7.299 7.760 -1.594 95 1HZ LYS 11 1HZ LYS 11 8.080 9.449 -0.092 96 2HZ LYS 11 2HZ LYS 11 6.501 9.931 0.269 97 3HZ LYS 11 3HZ LYS 11 7.123 10.174 -1.284 98 H ASP 12 H ASP 12 0.567 6.252 -0.145 99 HA ASP 12 HA ASP 12 -0.689 8.812 -0.322 100 1HB ASP 12 1HB ASP 12 -0.945 6.871 -1.950 101 2HB ASP 12 2HB ASP 12 -2.013 6.133 -0.769 102 H GLY 13 H GLY 13 -0.893 6.093 1.881 103 1HA GLY 13 1HA GLY 13 -1.610 6.943 4.174 104 2HA GLY 13 2HA GLY 13 -3.076 7.436 3.343 105 H GLY 14 H GLY 14 -1.223 4.435 2.925 106 1HA GLY 14 1HA GLY 14 -1.948 2.263 2.867 107 2HA GLY 14 2HA GLY 14 -2.444 2.648 4.506 108 HA PRO 15 HA PRO 15 -6.344 0.999 2.879 109 1HB PRO 15 1HB PRO 15 -7.046 1.921 5.626 110 2HB PRO 15 2HB PRO 15 -7.447 0.409 4.819 111 1HG PRO 15 1HG PRO 15 -5.535 0.479 6.654 112 2HG PRO 15 2HG PRO 15 -5.318 -0.480 5.177 113 1HD PRO 15 1HD PRO 15 -4.133 2.166 5.902 114 2HD PRO 15 2HD PRO 15 -3.416 0.824 4.998 115 H SER 16 H SER 16 -6.018 4.015 4.741 116 HA SER 16 HA SER 16 -8.477 5.112 3.878 117 1HB SER 16 1HB SER 16 -6.025 6.427 5.063 118 2HB SER 16 2HB SER 16 -7.551 7.263 4.779 119 HG SER 16 HG SER 16 -6.901 5.321 6.672 120 H SER 17 H SER 17 -5.337 4.978 2.407 121 HA SER 17 HA SER 17 -5.190 7.192 0.804 122 1HB SER 17 1HB SER 17 -3.748 5.973 -0.612 123 2HB SER 17 2HB SER 17 -3.560 5.224 0.968 124 HG SER 17 HG SER 17 -3.883 3.808 -0.952 125 H GLY 18 H GLY 18 -7.191 4.323 0.292 126 1HA GLY 18 1HA GLY 18 -9.379 5.042 -0.838 127 2HA GLY 18 2HA GLY 18 -8.313 5.557 -2.139 128 H ARG 19 H ARG 19 -6.482 3.490 -2.181 129 HA ARG 19 HA ARG 19 -8.075 1.391 -3.403 130 1HB ARG 19 1HB ARG 19 -5.959 0.564 -4.287 131 2HB ARG 19 2HB ARG 19 -6.107 2.290 -4.588 132 1HG ARG 19 1HG ARG 19 -4.564 2.803 -2.844 133 2HG ARG 19 2HG ARG 19 -4.556 1.130 -2.284 134 1HD ARG 19 1HD ARG 19 -2.759 0.847 -3.566 135 2HD ARG 19 2HD ARG 19 -3.854 0.920 -4.944 136 HE ARG 19 HE ARG 19 -3.360 3.477 -4.680 137 1HH1 ARG 19 1HH1 ARG 19 -1.082 0.831 -4.370 138 2HH1 ARG 19 2HH1 ARG 19 0.272 1.779 -4.881 139 1HH2 ARG 19 1HH2 ARG 19 -1.572 4.714 -5.356 140 2HH2 ARG 19 2HH2 ARG 19 -0.006 3.982 -5.442 141 HA PRO 20 HA PRO 20 -7.738 -1.498 -0.076 142 1HB PRO 20 1HB PRO 20 -7.681 -3.860 -1.405 143 2HB PRO 20 2HB PRO 20 -9.140 -2.868 -1.283 144 1HG PRO 20 1HG PRO 20 -7.184 -3.095 -3.539 145 2HG PRO 20 2HG PRO 20 -8.957 -3.043 -3.595 146 1HD PRO 20 1HD PRO 20 -7.408 -0.878 -4.116 147 2HD PRO 20 2HD PRO 20 -9.021 -0.751 -3.387 148 HA PRO 21 HA PRO 21 -3.524 -2.477 0.823 149 1HB PRO 21 1HB PRO 21 -4.486 -5.125 1.774 150 2HB PRO 21 2HB PRO 21 -3.530 -3.903 2.618 151 1HG PRO 21 1HG PRO 21 -6.116 -4.272 3.181 152 2HG PRO 21 2HG PRO 21 -5.388 -2.656 3.197 153 1HD PRO 21 1HD PRO 21 -7.177 -3.910 1.173 154 2HD PRO 21 2HD PRO 21 -7.071 -2.218 1.693 155 HA PRO 22 HA PRO 22 -2.325 -4.993 -2.664 156 1HB PRO 22 1HB PRO 22 0.341 -4.705 -2.453 157 2HB PRO 22 2HB PRO 22 -0.703 -3.372 -2.964 158 1HG PRO 22 1HG PRO 22 0.510 -3.909 -0.283 159 2HG PRO 22 2HG PRO 22 0.359 -2.373 -1.155 160 1HD PRO 22 1HD PRO 22 -1.331 -3.166 0.855 161 2HD PRO 22 2HD PRO 22 -1.789 -2.041 -0.435 162 H SER 23 H SER 23 -3.226 -6.795 -1.192 163 HA SER 23 HA SER 23 -1.089 -8.729 -0.769 164 1HB SER 23 1HB SER 23 -2.283 -9.462 1.379 165 2HB SER 23 2HB SER 23 -1.335 -7.978 1.461 166 HG SER 23 HG SER 23 -4.109 -8.332 1.514 Start of MODEL 21 1 H ALA 1 H ALA 1 2.842 -8.372 -5.506 2 HA ALA 1 HA ALA 1 4.931 -7.621 -4.643 3 1HB ALA 1 1HB ALA 1 4.065 -4.796 -5.106 4 2HB ALA 1 2HB ALA 1 4.954 -5.671 -6.354 5 3HB ALA 1 3HB ALA 1 5.672 -5.434 -4.762 6 H LEU 2 H LEU 2 4.774 -7.698 -2.494 7 HA LEU 2 HA LEU 2 2.261 -6.837 -1.255 8 1HB LEU 2 1HB LEU 2 3.865 -9.128 -0.961 9 2HB LEU 2 2HB LEU 2 4.043 -8.228 0.533 10 HG LEU 2 HG LEU 2 1.334 -8.860 -0.609 11 1HD1 LEU 2 1HD1 LEU 2 2.593 -10.960 -0.329 12 2HD1 LEU 2 2HD1 LEU 2 1.239 -10.820 0.794 13 3HD1 LEU 2 3HD1 LEU 2 2.887 -10.535 1.358 14 1HD2 LEU 2 1HD2 LEU 2 1.488 -7.115 1.114 15 2HD2 LEU 2 2HD2 LEU 2 2.276 -8.265 2.194 16 3HD2 LEU 2 3HD2 LEU 2 0.610 -8.534 1.685 17 H GLN 3 H GLN 3 5.735 -6.853 -0.394 18 HA GLN 3 HA GLN 3 5.410 -4.767 1.539 19 1HB GLN 3 1HB GLN 3 7.215 -6.669 1.379 20 2HB GLN 3 2HB GLN 3 8.074 -5.499 0.386 21 1HG GLN 3 1HG GLN 3 8.131 -3.920 2.185 22 2HG GLN 3 2HG GLN 3 7.093 -4.944 3.175 23 1HE2 GLN 3 1HE2 GLN 3 7.953 -7.020 3.851 24 2HE2 GLN 3 2HE2 GLN 3 9.659 -7.192 4.092 25 H GLU 4 H GLU 4 6.810 -4.941 -1.726 26 HA GLU 4 HA GLU 4 7.735 -2.318 -1.927 27 1HB GLU 4 1HB GLU 4 7.204 -4.524 -3.742 28 2HB GLU 4 2HB GLU 4 6.829 -2.976 -4.487 29 1HG GLU 4 1HG GLU 4 9.431 -3.398 -3.075 30 2HG GLU 4 2HG GLU 4 9.200 -3.953 -4.732 31 H LEU 5 H LEU 5 4.530 -3.658 -2.664 32 HA LEU 5 HA LEU 5 3.438 -1.201 -3.607 33 1HB LEU 5 1HB LEU 5 2.632 -3.687 -3.914 34 2HB LEU 5 2HB LEU 5 1.734 -3.362 -2.445 35 HG LEU 5 HG LEU 5 1.506 -1.676 -4.936 36 1HD1 LEU 5 1HD1 LEU 5 -0.328 -2.898 -5.633 37 2HD1 LEU 5 2HD1 LEU 5 -0.557 -3.650 -4.055 38 3HD1 LEU 5 3HD1 LEU 5 0.781 -4.155 -5.086 39 1HD2 LEU 5 1HD2 LEU 5 0.480 -1.476 -2.233 40 2HD2 LEU 5 2HD2 LEU 5 -0.814 -1.504 -3.432 41 3HD2 LEU 5 3HD2 LEU 5 0.463 -0.292 -3.539 42 H LEU 6 H LEU 6 3.463 -2.847 -0.475 43 HA LEU 6 HA LEU 6 1.620 -1.331 0.929 44 1HB LEU 6 1HB LEU 6 3.298 -3.330 1.533 45 2HB LEU 6 2HB LEU 6 4.092 -2.028 2.376 46 HG LEU 6 HG LEU 6 2.629 -3.201 3.899 47 1HD1 LEU 6 1HD1 LEU 6 1.314 -1.366 4.729 48 2HD1 LEU 6 2HD1 LEU 6 1.380 -0.561 3.161 49 3HD1 LEU 6 3HD1 LEU 6 2.848 -0.750 4.118 50 1HD2 LEU 6 1HD2 LEU 6 0.365 -2.508 2.035 51 2HD2 LEU 6 2HD2 LEU 6 0.252 -3.385 3.560 52 3HD2 LEU 6 3HD2 LEU 6 1.093 -4.107 2.188 53 H GLY 7 H GLY 7 5.132 -0.716 0.626 54 1HA GLY 7 1HA GLY 7 5.184 1.622 2.175 55 2HA GLY 7 2HA GLY 7 6.332 1.219 0.921 56 H GLN 8 H GLN 8 4.277 1.087 -1.158 57 HA GLN 8 HA GLN 8 4.208 3.920 -1.807 58 1HB GLN 8 1HB GLN 8 3.268 1.443 -3.264 59 2HB GLN 8 2HB GLN 8 2.996 3.064 -3.886 60 1HG GLN 8 1HG GLN 8 5.655 1.755 -3.367 61 2HG GLN 8 2HG GLN 8 4.931 2.098 -4.937 62 1HE2 GLN 8 1HE2 GLN 8 4.505 4.404 -5.410 63 2HE2 GLN 8 2HE2 GLN 8 5.642 5.574 -4.834 64 H TRP 9 H TRP 9 2.042 1.368 -0.882 65 HA TRP 9 HA TRP 9 -0.429 2.710 -1.131 66 1HB TRP 9 1HB TRP 9 -0.103 0.249 -0.996 67 2HB TRP 9 2HB TRP 9 0.383 0.429 0.681 68 HD1 TRP 9 HD1 TRP 9 -2.687 1.790 -1.243 69 HE1 TRP 9 HE1 TRP 9 -4.792 1.173 0.116 70 HE3 TRP 9 HE3 TRP 9 -0.448 -0.750 2.550 71 HZ2 TRP 9 HZ2 TRP 9 -5.393 -0.218 2.512 72 HZ3 TRP 9 HZ3 TRP 9 -1.842 -1.682 4.348 73 HH2 TRP 9 HH2 TRP 9 -4.267 -1.407 4.324 74 H LEU 10 H LEU 10 1.890 2.274 1.481 75 HA LEU 10 HA LEU 10 0.323 3.577 3.485 76 1HB LEU 10 1HB LEU 10 2.478 1.952 3.561 77 2HB LEU 10 2HB LEU 10 3.260 3.503 3.801 78 HG LEU 10 HG LEU 10 0.900 2.757 5.485 79 1HD1 LEU 10 1HD1 LEU 10 2.586 0.876 5.481 80 2HD1 LEU 10 2HD1 LEU 10 2.231 1.598 7.050 81 3HD1 LEU 10 3HD1 LEU 10 3.722 2.015 6.205 82 1HD2 LEU 10 1HD2 LEU 10 3.308 4.533 5.804 83 2HD2 LEU 10 2HD2 LEU 10 2.221 4.133 7.134 84 3HD2 LEU 10 3HD2 LEU 10 1.609 5.004 5.728 85 H LYS 11 H LYS 11 2.859 4.614 1.257 86 HA LYS 11 HA LYS 11 3.481 7.105 2.303 87 1HB LYS 11 1HB LYS 11 3.577 5.862 -0.382 88 2HB LYS 11 2HB LYS 11 3.598 7.620 -0.358 89 1HG LYS 11 1HG LYS 11 5.592 7.683 0.889 90 2HG LYS 11 2HG LYS 11 5.481 5.970 1.299 91 1HD LYS 11 1HD LYS 11 6.404 5.320 -0.647 92 2HD LYS 11 2HD LYS 11 5.523 6.531 -1.582 93 1HE LYS 11 1HE LYS 11 7.763 7.164 -1.792 94 2HE LYS 11 2HE LYS 11 7.128 8.233 -0.542 95 1HZ LYS 11 1HZ LYS 11 8.093 6.788 1.137 96 2HZ LYS 11 2HZ LYS 11 9.285 7.333 0.068 97 3HZ LYS 11 3HZ LYS 11 8.694 5.753 -0.061 98 H ASP 12 H ASP 12 0.826 6.202 0.127 99 HA ASP 12 HA ASP 12 -0.224 8.840 -0.112 100 1HB ASP 12 1HB ASP 12 -0.594 6.838 -1.682 101 2HB ASP 12 2HB ASP 12 -1.805 6.304 -0.523 102 H GLY 13 H GLY 13 -0.963 6.062 1.949 103 1HA GLY 13 1HA GLY 13 -1.612 7.076 4.276 104 2HA GLY 13 2HA GLY 13 -3.020 7.604 3.367 105 H GLY 14 H GLY 14 -1.225 4.544 3.205 106 1HA GLY 14 1HA GLY 14 -1.982 2.384 3.183 107 2HA GLY 14 2HA GLY 14 -2.660 2.861 4.731 108 HA PRO 15 HA PRO 15 -6.345 1.183 2.675 109 1HB PRO 15 1HB PRO 15 -7.349 2.092 5.326 110 2HB PRO 15 2HB PRO 15 -7.646 0.580 4.479 111 1HG PRO 15 1HG PRO 15 -5.953 0.672 6.520 112 2HG PRO 15 2HG PRO 15 -5.574 -0.298 5.084 113 1HD PRO 15 1HD PRO 15 -4.471 2.352 5.920 114 2HD PRO 15 2HD PRO 15 -3.666 1.004 5.101 115 H SER 16 H SER 16 -6.207 4.225 4.521 116 HA SER 16 HA SER 16 -8.584 5.274 3.401 117 1HB SER 16 1HB SER 16 -8.158 7.218 4.624 118 2HB SER 16 2HB SER 16 -7.338 5.976 5.569 119 HG SER 16 HG SER 16 -5.396 6.669 4.800 120 H SER 17 H SER 17 -5.421 4.984 2.114 121 HA SER 17 HA SER 17 -5.111 7.227 0.525 122 1HB SER 17 1HB SER 17 -3.597 5.951 -0.803 123 2HB SER 17 2HB SER 17 -3.474 5.310 0.835 124 HG SER 17 HG SER 17 -4.279 4.081 -1.458 125 H GLY 18 H GLY 18 -7.118 4.377 -0.047 126 1HA GLY 18 1HA GLY 18 -9.181 5.226 -1.396 127 2HA GLY 18 2HA GLY 18 -7.966 5.458 -2.645 128 H ARG 19 H ARG 19 -6.396 3.237 -2.363 129 HA ARG 19 HA ARG 19 -8.217 1.128 -3.263 130 1HB ARG 19 1HB ARG 19 -6.210 0.082 -4.223 131 2HB ARG 19 2HB ARG 19 -6.405 1.735 -4.785 132 1HG ARG 19 1HG ARG 19 -4.495 2.427 -3.824 133 2HG ARG 19 2HG ARG 19 -4.732 1.427 -2.390 134 1HD ARG 19 1HD ARG 19 -3.619 -0.342 -3.272 135 2HD ARG 19 2HD ARG 19 -4.148 0.008 -4.917 136 HE ARG 19 HE ARG 19 -2.240 1.879 -3.809 137 1HH1 ARG 19 1HH1 ARG 19 -2.686 -1.045 -5.687 138 2HH1 ARG 19 2HH1 ARG 19 -1.154 -0.911 -6.481 139 1HH2 ARG 19 1HH2 ARG 19 -0.224 2.044 -4.859 140 2HH2 ARG 19 2HH2 ARG 19 0.243 0.840 -6.012 141 HA PRO 20 HA PRO 20 -7.508 -1.428 0.273 142 1HB PRO 20 1HB PRO 20 -7.554 -3.919 -0.763 143 2HB PRO 20 2HB PRO 20 -8.998 -2.904 -0.688 144 1HG PRO 20 1HG PRO 20 -7.173 -3.435 -2.999 145 2HG PRO 20 2HG PRO 20 -8.944 -3.366 -2.966 146 1HD PRO 20 1HD PRO 20 -7.381 -1.304 -3.822 147 2HD PRO 20 2HD PRO 20 -8.979 -1.074 -3.089 148 HA PRO 21 HA PRO 21 -3.289 -2.589 0.895 149 1HB PRO 21 1HB PRO 21 -3.464 -5.059 2.099 150 2HB PRO 21 2HB PRO 21 -3.718 -3.524 2.932 151 1HG PRO 21 1HG PRO 21 -5.730 -5.439 1.829 152 2HG PRO 21 2HG PRO 21 -5.767 -4.526 3.348 153 1HD PRO 21 1HD PRO 21 -7.191 -3.760 1.202 154 2HD PRO 21 2HD PRO 21 -6.462 -2.579 2.309 155 HA PRO 22 HA PRO 22 -1.960 -5.191 -2.434 156 1HB PRO 22 1HB PRO 22 0.580 -5.708 -1.107 157 2HB PRO 22 2HB PRO 22 0.242 -4.673 -2.493 158 1HG PRO 22 1HG PRO 22 0.966 -3.709 -0.056 159 2HG PRO 22 2HG PRO 22 -0.052 -2.810 -1.194 160 1HD PRO 22 1HD PRO 22 -0.849 -4.392 1.221 161 2HD PRO 22 2HD PRO 22 -1.458 -2.825 0.648 162 H SER 23 H SER 23 -3.594 -6.814 -1.525 163 HA SER 23 HA SER 23 -2.259 -9.354 -1.249 164 1HB SER 23 1HB SER 23 -2.521 -8.401 1.114 165 2HB SER 23 2HB SER 23 -4.255 -8.633 0.897 166 HG SER 23 HG SER 23 -4.006 -10.728 1.081 Start of MODEL 22 1 H ALA 1 H ALA 1 7.576 -6.813 -2.899 2 HA ALA 1 HA ALA 1 6.389 -6.329 -5.045 3 1HB ALA 1 1HB ALA 1 5.421 -9.130 -4.528 4 2HB ALA 1 2HB ALA 1 6.405 -8.612 -5.897 5 3HB ALA 1 3HB ALA 1 4.756 -8.011 -5.717 6 H LEU 2 H LEU 2 5.326 -8.319 -2.339 7 HA LEU 2 HA LEU 2 2.937 -6.855 -1.867 8 1HB LEU 2 1HB LEU 2 4.470 -8.690 -0.022 9 2HB LEU 2 2HB LEU 2 2.848 -8.095 0.272 10 HG LEU 2 HG LEU 2 3.502 -9.718 -2.174 11 1HD1 LEU 2 1HD1 LEU 2 2.749 -11.700 -0.970 12 2HD1 LEU 2 2HD1 LEU 2 2.618 -10.758 0.515 13 3HD1 LEU 2 3HD1 LEU 2 4.197 -11.019 -0.228 14 1HD2 LEU 2 1HD2 LEU 2 0.941 -9.257 -0.647 15 2HD2 LEU 2 2HD2 LEU 2 1.119 -10.205 -2.124 16 3HD2 LEU 2 3HD2 LEU 2 1.396 -8.463 -2.155 17 H GLN 3 H GLN 3 6.081 -6.921 -0.192 18 HA GLN 3 HA GLN 3 5.450 -4.879 1.669 19 1HB GLN 3 1HB GLN 3 7.366 -6.643 1.696 20 2HB GLN 3 2HB GLN 3 8.254 -5.453 0.754 21 1HG GLN 3 1HG GLN 3 8.933 -4.831 2.817 22 2HG GLN 3 2HG GLN 3 7.462 -3.864 2.726 23 1HE2 GLN 3 1HE2 GLN 3 9.052 -6.532 4.233 24 2HE2 GLN 3 2HE2 GLN 3 7.836 -6.863 5.420 25 H GLU 4 H GLU 4 7.024 -4.853 -1.507 26 HA GLU 4 HA GLU 4 7.846 -2.166 -1.512 27 1HB GLU 4 1HB GLU 4 7.031 -3.871 -3.875 28 2HB GLU 4 2HB GLU 4 7.963 -2.383 -3.955 29 1HG GLU 4 1HG GLU 4 8.792 -5.037 -2.828 30 2HG GLU 4 2HG GLU 4 9.507 -4.144 -4.169 31 H LEU 5 H LEU 5 4.829 -3.675 -2.649 32 HA LEU 5 HA LEU 5 3.660 -1.268 -3.591 33 1HB LEU 5 1HB LEU 5 3.023 -3.757 -4.048 34 2HB LEU 5 2HB LEU 5 2.029 -3.582 -2.615 35 HG LEU 5 HG LEU 5 1.802 -1.744 -4.993 36 1HD1 LEU 5 1HD1 LEU 5 -0.370 -3.620 -4.686 37 2HD1 LEU 5 2HD1 LEU 5 1.160 -4.448 -4.977 38 3HD1 LEU 5 3HD1 LEU 5 0.589 -3.227 -6.113 39 1HD2 LEU 5 1HD2 LEU 5 -0.619 -1.925 -3.655 40 2HD2 LEU 5 2HD2 LEU 5 0.533 -0.593 -3.569 41 3HD2 LEU 5 3HD2 LEU 5 0.584 -1.879 -2.366 42 H LEU 6 H LEU 6 3.621 -2.925 -0.473 43 HA LEU 6 HA LEU 6 1.574 -1.483 0.784 44 1HB LEU 6 1HB LEU 6 3.105 -3.512 1.507 45 2HB LEU 6 2HB LEU 6 3.972 -2.259 2.354 46 HG LEU 6 HG LEU 6 2.405 -3.319 3.857 47 1HD1 LEU 6 1HD1 LEU 6 2.800 -0.829 3.950 48 2HD1 LEU 6 2HD1 LEU 6 1.327 -1.411 4.728 49 3HD1 LEU 6 3HD1 LEU 6 1.243 -0.641 3.144 50 1HD2 LEU 6 1HD2 LEU 6 0.822 -4.155 2.192 51 2HD2 LEU 6 2HD2 LEU 6 0.256 -2.510 1.903 52 3HD2 LEU 6 3HD2 LEU 6 0.001 -3.265 3.476 53 H GLY 7 H GLY 7 5.086 -0.862 0.703 54 1HA GLY 7 1HA GLY 7 5.033 1.479 2.269 55 2HA GLY 7 2HA GLY 7 6.273 1.062 1.103 56 H GLN 8 H GLN 8 4.346 0.890 -1.106 57 HA GLN 8 HA GLN 8 4.359 3.689 -1.851 58 1HB GLN 8 1HB GLN 8 4.797 1.893 -3.511 59 2HB GLN 8 2HB GLN 8 3.158 1.301 -3.283 60 1HG GLN 8 1HG GLN 8 3.091 2.552 -5.255 61 2HG GLN 8 2HG GLN 8 2.377 3.594 -4.026 62 1HE2 GLN 8 1HE2 GLN 8 3.402 5.475 -3.448 63 2HE2 GLN 8 2HE2 GLN 8 4.783 6.094 -4.286 64 H TRP 9 H TRP 9 2.056 1.225 -0.969 65 HA TRP 9 HA TRP 9 -0.345 2.666 -1.293 66 1HB TRP 9 1HB TRP 9 -0.140 0.201 -1.121 67 2HB TRP 9 2HB TRP 9 0.329 0.377 0.562 68 HD1 TRP 9 HD1 TRP 9 -2.649 1.890 -1.399 69 HE1 TRP 9 HE1 TRP 9 -4.795 1.376 -0.061 70 HE3 TRP 9 HE3 TRP 9 -0.579 -0.792 2.390 71 HZ2 TRP 9 HZ2 TRP 9 -5.490 0.006 2.321 72 HZ3 TRP 9 HZ3 TRP 9 -2.033 -1.663 4.171 73 HH2 TRP 9 HH2 TRP 9 -4.440 -1.262 4.132 74 H LEU 10 H LEU 10 1.876 2.181 1.393 75 HA LEU 10 HA LEU 10 0.327 3.521 3.363 76 1HB LEU 10 1HB LEU 10 2.370 1.885 3.572 77 2HB LEU 10 2HB LEU 10 3.305 3.366 3.523 78 HG LEU 10 HG LEU 10 1.678 4.113 5.445 79 1HD1 LEU 10 1HD1 LEU 10 0.225 2.142 5.262 80 2HD1 LEU 10 2HD1 LEU 10 0.963 2.278 6.858 81 3HD1 LEU 10 3HD1 LEU 10 1.588 1.109 5.696 82 1HD2 LEU 10 1HD2 LEU 10 3.917 2.132 5.851 83 2HD2 LEU 10 2HD2 LEU 10 3.260 3.205 7.086 84 3HD2 LEU 10 3HD2 LEU 10 4.085 3.879 5.680 85 H LYS 11 H LYS 11 2.750 4.592 1.044 86 HA LYS 11 HA LYS 11 3.379 7.092 2.093 87 1HB LYS 11 1HB LYS 11 4.288 5.820 -0.009 88 2HB LYS 11 2HB LYS 11 3.044 6.722 -0.864 89 1HG LYS 11 1HG LYS 11 4.049 8.771 -0.425 90 2HG LYS 11 2HG LYS 11 5.000 8.125 0.913 91 1HD LYS 11 1HD LYS 11 6.639 8.204 -0.661 92 2HD LYS 11 2HD LYS 11 5.986 6.611 -1.045 93 1HE LYS 11 1HE LYS 11 4.550 7.655 -2.767 94 2HE LYS 11 2HE LYS 11 5.298 9.211 -2.413 95 1HZ LYS 11 1HZ LYS 11 6.267 8.075 -4.356 96 2HZ LYS 11 2HZ LYS 11 6.782 6.816 -3.351 97 3HZ LYS 11 3HZ LYS 11 7.405 8.375 -3.141 98 H ASP 12 H ASP 12 0.687 6.138 -0.017 99 HA ASP 12 HA ASP 12 -0.391 8.779 -0.226 100 1HB ASP 12 1HB ASP 12 -0.731 6.843 -1.857 101 2HB ASP 12 2HB ASP 12 -1.890 6.199 -0.705 102 H GLY 13 H GLY 13 -0.891 6.040 1.919 103 1HA GLY 13 1HA GLY 13 -1.596 6.949 4.212 104 2HA GLY 13 2HA GLY 13 -3.008 7.522 3.339 105 H GLY 14 H GLY 14 -1.295 4.429 3.000 106 1HA GLY 14 1HA GLY 14 -2.132 2.296 2.911 107 2HA GLY 14 2HA GLY 14 -2.665 2.711 4.530 108 HA PRO 15 HA PRO 15 -6.587 1.261 2.781 109 1HB PRO 15 1HB PRO 15 -7.338 2.244 5.492 110 2HB PRO 15 2HB PRO 15 -7.786 0.745 4.685 111 1HG PRO 15 1HG PRO 15 -5.941 0.740 6.586 112 2HG PRO 15 2HG PRO 15 -5.717 -0.243 5.126 113 1HD PRO 15 1HD PRO 15 -4.434 2.352 5.873 114 2HD PRO 15 2HD PRO 15 -3.748 0.965 5.014 115 H SER 16 H SER 16 -6.177 4.273 4.630 116 HA SER 16 HA SER 16 -8.542 5.486 3.675 117 1HB SER 16 1HB SER 16 -6.057 6.656 4.936 118 2HB SER 16 2HB SER 16 -7.488 7.611 4.546 119 HG SER 16 HG SER 16 -7.452 6.826 6.726 120 H SER 17 H SER 17 -5.401 5.124 2.263 121 HA SER 17 HA SER 17 -5.113 7.321 0.631 122 1HB SER 17 1HB SER 17 -3.657 6.029 -0.697 123 2HB SER 17 2HB SER 17 -3.567 5.288 0.898 124 HG SER 17 HG SER 17 -3.933 3.942 -1.145 125 H GLY 18 H GLY 18 -7.185 4.497 0.120 126 1HA GLY 18 1HA GLY 18 -9.302 5.385 -1.114 127 2HA GLY 18 2HA GLY 18 -8.145 5.636 -2.411 128 H ARG 19 H ARG 19 -6.577 3.392 -2.239 129 HA ARG 19 HA ARG 19 -8.459 1.320 -3.099 130 1HB ARG 19 1HB ARG 19 -6.538 0.284 -4.205 131 2HB ARG 19 2HB ARG 19 -6.715 1.963 -4.694 132 1HG ARG 19 1HG ARG 19 -4.739 2.565 -3.812 133 2HG ARG 19 2HG ARG 19 -4.928 1.521 -2.404 134 1HD ARG 19 1HD ARG 19 -3.487 0.100 -3.317 135 2HD ARG 19 2HD ARG 19 -4.649 -0.193 -4.610 136 HE ARG 19 HE ARG 19 -3.273 2.133 -5.255 137 1HH1 ARG 19 1HH1 ARG 19 -2.552 -1.267 -4.821 138 2HH1 ARG 19 2HH1 ARG 19 -1.229 -1.253 -5.938 139 1HH2 ARG 19 1HH2 ARG 19 -1.531 2.144 -6.724 140 2HH2 ARG 19 2HH2 ARG 19 -0.650 0.683 -7.019 141 HA PRO 20 HA PRO 20 -7.643 -1.355 0.321 142 1HB PRO 20 1HB PRO 20 -7.510 -3.703 -1.417 143 2HB PRO 20 2HB PRO 20 -8.761 -3.242 -0.260 144 1HG PRO 20 1HG PRO 20 -9.167 -3.195 -2.932 145 2HG PRO 20 2HG PRO 20 -9.959 -2.057 -1.825 146 1HD PRO 20 1HD PRO 20 -7.562 -1.640 -3.577 147 2HD PRO 20 2HD PRO 20 -8.937 -0.555 -3.271 148 HA PRO 21 HA PRO 21 -3.385 -2.456 0.747 149 1HB PRO 21 1HB PRO 21 -3.469 -4.882 2.016 150 2HB PRO 21 2HB PRO 21 -3.760 -3.338 2.822 151 1HG PRO 21 1HG PRO 21 -5.732 -5.337 1.789 152 2HG PRO 21 2HG PRO 21 -5.758 -4.419 3.306 153 1HD PRO 21 1HD PRO 21 -7.256 -3.710 1.187 154 2HD PRO 21 2HD PRO 21 -6.546 -2.503 2.278 155 HA PRO 22 HA PRO 22 -2.248 -5.099 -2.630 156 1HB PRO 22 1HB PRO 22 0.384 -5.425 -2.131 157 2HB PRO 22 2HB PRO 22 -0.292 -3.879 -2.655 158 1HG PRO 22 1HG PRO 22 0.458 -4.780 0.097 159 2HG PRO 22 2HG PRO 22 0.749 -3.217 -0.686 160 1HD PRO 22 1HD PRO 22 -1.285 -3.655 1.080 161 2HD PRO 22 2HD PRO 22 -1.364 -2.452 -0.221 162 H SER 23 H SER 23 -3.654 -6.773 -1.465 163 HA SER 23 HA SER 23 -2.063 -9.171 -1.106 164 1HB SER 23 1HB SER 23 -2.390 -8.119 1.185 165 2HB SER 23 2HB SER 23 -4.111 -8.456 0.996 166 HG SER 23 HG SER 23 -3.749 -10.527 1.283 Start of MODEL 23 1 H ALA 1 H ALA 1 4.830 -8.013 -6.128 2 HA ALA 1 HA ALA 1 6.426 -8.122 -4.377 3 1HB ALA 1 1HB ALA 1 8.176 -6.773 -5.351 4 2HB ALA 1 2HB ALA 1 7.710 -6.099 -3.790 5 3HB ALA 1 3HB ALA 1 7.154 -5.338 -5.280 6 H LEU 2 H LEU 2 4.779 -8.294 -2.982 7 HA LEU 2 HA LEU 2 2.714 -6.347 -2.715 8 1HB LEU 2 1HB LEU 2 3.477 -8.725 -1.025 9 2HB LEU 2 2HB LEU 2 2.079 -7.719 -0.694 10 HG LEU 2 HG LEU 2 2.503 -9.282 -3.243 11 1HD1 LEU 2 1HD1 LEU 2 0.834 -9.877 -0.808 12 2HD1 LEU 2 2HD1 LEU 2 2.176 -10.826 -1.446 13 3HD1 LEU 2 3HD1 LEU 2 0.669 -10.708 -2.354 14 1HD2 LEU 2 1HD2 LEU 2 1.079 -7.605 -3.885 15 2HD2 LEU 2 2HD2 LEU 2 0.394 -7.417 -2.271 16 3HD2 LEU 2 3HD2 LEU 2 -0.076 -8.789 -3.275 17 H GLN 3 H GLN 3 5.573 -7.180 -0.781 18 HA GLN 3 HA GLN 3 5.098 -5.429 1.364 19 1HB GLN 3 1HB GLN 3 6.980 -7.309 0.838 20 2HB GLN 3 2HB GLN 3 7.919 -5.847 0.572 21 1HG GLN 3 1HG GLN 3 6.362 -6.449 3.076 22 2HG GLN 3 2HG GLN 3 8.089 -6.740 2.868 23 1HE2 GLN 3 1HE2 GLN 3 9.428 -4.847 2.360 24 2HE2 GLN 3 2HE2 GLN 3 8.989 -3.319 3.043 25 H GLU 4 H GLU 4 6.881 -4.965 -1.676 26 HA GLU 4 HA GLU 4 7.788 -2.349 -1.146 27 1HB GLU 4 1HB GLU 4 7.329 -3.897 -3.686 28 2HB GLU 4 2HB GLU 4 7.863 -2.222 -3.725 29 1HG GLU 4 1HG GLU 4 9.786 -2.916 -2.261 30 2HG GLU 4 2HG GLU 4 9.294 -4.584 -2.543 31 H LEU 5 H LEU 5 4.858 -3.563 -2.738 32 HA LEU 5 HA LEU 5 3.818 -1.065 -3.515 33 1HB LEU 5 1HB LEU 5 3.096 -3.648 -3.922 34 2HB LEU 5 2HB LEU 5 1.859 -3.131 -2.794 35 HG LEU 5 HG LEU 5 1.580 -2.905 -5.424 36 1HD1 LEU 5 1HD1 LEU 5 0.596 -1.094 -3.253 37 2HD1 LEU 5 2HD1 LEU 5 -0.242 -2.422 -4.057 38 3HD1 LEU 5 3HD1 LEU 5 0.052 -0.914 -4.921 39 1HD2 LEU 5 1HD2 LEU 5 3.605 -1.387 -5.519 40 2HD2 LEU 5 2HD2 LEU 5 2.600 -0.168 -4.733 41 3HD2 LEU 5 3HD2 LEU 5 2.143 -0.803 -6.314 42 H LEU 6 H LEU 6 3.772 -2.764 -0.464 43 HA LEU 6 HA LEU 6 1.641 -1.399 0.780 44 1HB LEU 6 1HB LEU 6 3.324 -3.422 1.452 45 2HB LEU 6 2HB LEU 6 3.891 -2.152 2.505 46 HG LEU 6 HG LEU 6 2.232 -3.623 3.590 47 1HD1 LEU 6 1HD1 LEU 6 0.759 -1.832 4.434 48 2HD1 LEU 6 2HD1 LEU 6 1.350 -0.774 3.153 49 3HD1 LEU 6 3HD1 LEU 6 2.458 -1.362 4.392 50 1HD2 LEU 6 1HD2 LEU 6 0.250 -2.475 1.636 51 2HD2 LEU 6 2HD2 LEU 6 -0.055 -3.664 2.901 52 3HD2 LEU 6 3HD2 LEU 6 0.939 -4.093 1.509 53 H GLY 7 H GLY 7 5.146 -0.758 0.718 54 1HA GLY 7 1HA GLY 7 5.074 1.503 2.412 55 2HA GLY 7 2HA GLY 7 6.329 1.140 1.244 56 H GLN 8 H GLN 8 4.456 1.064 -1.001 57 HA GLN 8 HA GLN 8 4.448 3.896 -1.611 58 1HB GLN 8 1HB GLN 8 3.289 1.580 -3.188 59 2HB GLN 8 2HB GLN 8 3.533 3.213 -3.788 60 1HG GLN 8 1HG GLN 8 5.597 1.148 -3.107 61 2HG GLN 8 2HG GLN 8 5.299 1.937 -4.654 62 1HE2 GLN 8 1HE2 GLN 8 5.740 4.268 -4.756 63 2HE2 GLN 8 2HE2 GLN 8 7.044 4.905 -3.816 64 H TRP 9 H TRP 9 2.158 1.365 -0.892 65 HA TRP 9 HA TRP 9 -0.258 2.773 -1.199 66 1HB TRP 9 1HB TRP 9 -0.039 0.318 -1.093 67 2HB TRP 9 2HB TRP 9 0.464 0.439 0.583 68 HD1 TRP 9 HD1 TRP 9 -2.589 1.910 -1.290 69 HE1 TRP 9 HE1 TRP 9 -4.697 1.310 0.075 70 HE3 TRP 9 HE3 TRP 9 -0.372 -0.738 2.439 71 HZ2 TRP 9 HZ2 TRP 9 -5.309 -0.106 2.457 72 HZ3 TRP 9 HZ3 TRP 9 -1.769 -1.672 4.235 73 HH2 TRP 9 HH2 TRP 9 -4.187 -1.348 4.236 74 H LEU 10 H LEU 10 1.911 2.211 1.525 75 HA LEU 10 HA LEU 10 0.335 3.507 3.499 76 1HB LEU 10 1HB LEU 10 2.363 1.876 3.724 77 2HB LEU 10 2HB LEU 10 3.319 3.344 3.666 78 HG LEU 10 HG LEU 10 1.673 4.103 5.588 79 1HD1 LEU 10 1HD1 LEU 10 1.034 2.256 7.033 80 2HD1 LEU 10 2HD1 LEU 10 1.655 1.100 5.855 81 3HD1 LEU 10 3HD1 LEU 10 0.264 2.106 5.454 82 1HD2 LEU 10 1HD2 LEU 10 3.297 3.284 7.218 83 2HD2 LEU 10 2HD2 LEU 10 4.098 3.918 5.781 84 3HD2 LEU 10 3HD2 LEU 10 3.954 2.175 6.013 85 H LYS 11 H LYS 11 2.737 4.650 1.204 86 HA LYS 11 HA LYS 11 3.308 7.151 2.332 87 1HB LYS 11 1HB LYS 11 4.279 5.871 0.219 88 2HB LYS 11 2HB LYS 11 3.116 6.876 -0.635 89 1HG LYS 11 1HG LYS 11 4.149 8.879 0.318 90 2HG LYS 11 2HG LYS 11 5.320 7.864 1.163 91 1HD LYS 11 1HD LYS 11 6.588 8.255 -0.663 92 2HD LYS 11 2HD LYS 11 5.622 6.954 -1.363 93 1HE LYS 11 1HE LYS 11 5.422 8.575 -2.981 94 2HE LYS 11 2HE LYS 11 3.997 8.901 -1.998 95 1HZ LYS 11 1HZ LYS 11 5.205 10.657 -0.872 96 2HZ LYS 11 2HZ LYS 11 5.208 10.928 -2.542 97 3HZ LYS 11 3HZ LYS 11 6.594 10.328 -1.781 98 H ASP 12 H ASP 12 0.571 6.016 0.468 99 HA ASP 12 HA ASP 12 -0.546 8.719 0.324 100 1HB ASP 12 1HB ASP 12 -0.470 6.971 -1.631 101 2HB ASP 12 2HB ASP 12 -1.885 6.297 -0.835 102 H GLY 13 H GLY 13 -0.354 7.428 2.888 103 1HA GLY 13 1HA GLY 13 -1.660 7.286 4.775 104 2HA GLY 13 2HA GLY 13 -3.031 7.793 3.801 105 H GLY 14 H GLY 14 -1.061 4.954 3.119 106 1HA GLY 14 1HA GLY 14 -1.664 2.768 2.811 107 2HA GLY 14 2HA GLY 14 -2.314 2.939 4.432 108 HA PRO 15 HA PRO 15 -6.069 1.453 2.440 109 1HB PRO 15 1HB PRO 15 -7.089 2.339 5.091 110 2HB PRO 15 2HB PRO 15 -7.363 0.828 4.236 111 1HG PRO 15 1HG PRO 15 -5.691 0.930 6.293 112 2HG PRO 15 2HG PRO 15 -5.292 -0.035 4.861 113 1HD PRO 15 1HD PRO 15 -4.229 2.629 5.701 114 2HD PRO 15 2HD PRO 15 -3.392 1.284 4.907 115 H SER 16 H SER 16 -5.892 4.468 4.310 116 HA SER 16 HA SER 16 -8.271 5.609 3.461 117 1HB SER 16 1HB SER 16 -6.624 6.432 5.264 118 2HB SER 16 2HB SER 16 -5.792 7.254 3.944 119 HG SER 16 HG SER 16 -8.271 7.777 5.094 120 H SER 17 H SER 17 -5.268 5.237 1.741 121 HA SER 17 HA SER 17 -5.286 7.231 -0.137 122 1HB SER 17 1HB SER 17 -4.020 5.774 -1.568 123 2HB SER 17 2HB SER 17 -3.579 5.390 0.094 124 HG SER 17 HG SER 17 -4.842 3.560 -0.010 125 H GLY 18 H GLY 18 -7.105 4.176 -0.280 126 1HA GLY 18 1HA GLY 18 -9.466 4.808 -1.236 127 2HA GLY 18 2HA GLY 18 -8.508 5.102 -2.680 128 H ARG 19 H ARG 19 -6.658 2.988 -2.370 129 HA ARG 19 HA ARG 19 -8.353 0.751 -3.170 130 1HB ARG 19 1HB ARG 19 -6.268 -0.237 -4.035 131 2HB ARG 19 2HB ARG 19 -6.554 1.370 -4.688 132 1HG ARG 19 1HG ARG 19 -4.536 1.985 -4.022 133 2HG ARG 19 2HG ARG 19 -5.000 1.685 -2.349 134 1HD ARG 19 1HD ARG 19 -3.069 0.379 -2.738 135 2HD ARG 19 2HD ARG 19 -4.433 -0.737 -2.747 136 HE ARG 19 HE ARG 19 -3.655 0.242 -5.349 137 1HH1 ARG 19 1HH1 ARG 19 -3.183 -2.259 -2.942 138 2HH1 ARG 19 2HH1 ARG 19 -2.589 -3.415 -4.083 139 1HH2 ARG 19 1HH2 ARG 19 -2.871 -1.290 -6.847 140 2HH2 ARG 19 2HH2 ARG 19 -2.412 -2.867 -6.299 141 HA PRO 20 HA PRO 20 -7.737 -1.542 0.559 142 1HB PRO 20 1HB PRO 20 -7.694 -4.026 -1.001 143 2HB PRO 20 2HB PRO 20 -8.900 -3.451 0.154 144 1HG PRO 20 1HG PRO 20 -9.391 -3.568 -2.496 145 2HG PRO 20 2HG PRO 20 -10.094 -2.315 -1.456 146 1HD PRO 20 1HD PRO 20 -7.744 -2.143 -3.311 147 2HD PRO 20 2HD PRO 20 -9.054 -0.973 -3.038 148 HA PRO 21 HA PRO 21 -3.538 -2.642 1.327 149 1HB PRO 21 1HB PRO 21 -4.485 -5.310 2.254 150 2HB PRO 21 2HB PRO 21 -3.447 -4.136 3.069 151 1HG PRO 21 1HG PRO 21 -6.006 -4.445 3.774 152 2HG PRO 21 2HG PRO 21 -5.230 -2.852 3.782 153 1HD PRO 21 1HD PRO 21 -7.198 -3.988 1.867 154 2HD PRO 21 2HD PRO 21 -6.958 -2.308 2.376 155 HA PRO 22 HA PRO 22 -2.468 -4.748 -2.490 156 1HB PRO 22 1HB PRO 22 0.239 -4.606 -1.284 157 2HB PRO 22 2HB PRO 22 -0.315 -4.062 -2.870 158 1HG PRO 22 1HG PRO 22 0.206 -2.315 -0.917 159 2HG PRO 22 2HG PRO 22 -1.140 -2.063 -2.044 160 1HD PRO 22 1HD PRO 22 -1.190 -3.000 0.788 161 2HD PRO 22 2HD PRO 22 -2.334 -1.957 -0.074 162 H SER 23 H SER 23 -0.783 -5.681 0.492 163 HA SER 23 HA SER 23 -0.428 -8.394 -0.373 164 1HB SER 23 1HB SER 23 0.419 -8.733 1.981 165 2HB SER 23 2HB SER 23 1.264 -7.487 1.064 166 HG SER 23 HG SER 23 0.722 -6.153 2.578 Start of MODEL 24 1 H ALA 1 H ALA 1 3.883 -7.287 -5.833 2 HA ALA 1 HA ALA 1 5.581 -8.414 -3.709 3 1HB ALA 1 1HB ALA 1 5.642 -5.621 -4.820 4 2HB ALA 1 2HB ALA 1 6.658 -6.917 -5.452 5 3HB ALA 1 3HB ALA 1 6.818 -6.412 -3.769 6 H LEU 2 H LEU 2 4.717 -8.249 -1.756 7 HA LEU 2 HA LEU 2 2.328 -6.637 -1.358 8 1HB LEU 2 1HB LEU 2 3.636 -8.895 0.041 9 2HB LEU 2 2HB LEU 2 2.752 -7.769 1.052 10 HG LEU 2 HG LEU 2 1.410 -8.898 -1.369 11 1HD1 LEU 2 1HD1 LEU 2 2.414 -10.827 -0.222 12 2HD1 LEU 2 2HD1 LEU 2 0.654 -10.824 -0.109 13 3HD1 LEU 2 3HD1 LEU 2 1.627 -10.330 1.276 14 1HD2 LEU 2 1HD2 LEU 2 -0.569 -8.666 0.068 15 2HD2 LEU 2 2HD2 LEU 2 0.296 -7.140 -0.119 16 3HD2 LEU 2 3HD2 LEU 2 0.459 -8.068 1.371 17 H GLN 3 H GLN 3 5.486 -7.042 0.269 18 HA GLN 3 HA GLN 3 5.181 -4.818 1.987 19 1HB GLN 3 1HB GLN 3 7.481 -6.529 1.138 20 2HB GLN 3 2HB GLN 3 7.807 -5.037 2.009 21 1HG GLN 3 1HG GLN 3 5.949 -6.034 3.626 22 2HG GLN 3 2HG GLN 3 6.544 -7.546 2.941 23 1HE2 GLN 3 1HE2 GLN 3 8.633 -8.219 3.390 24 2HE2 GLN 3 2HE2 GLN 3 9.591 -7.500 4.638 25 H GLU 4 H GLU 4 6.800 -5.184 -1.158 26 HA GLU 4 HA GLU 4 7.946 -2.635 -1.305 27 1HB GLU 4 1HB GLU 4 6.935 -4.401 -3.540 28 2HB GLU 4 2HB GLU 4 7.957 -2.990 -3.765 29 1HG GLU 4 1HG GLU 4 8.700 -5.460 -2.212 30 2HG GLU 4 2HG GLU 4 9.227 -5.073 -3.850 31 H LEU 5 H LEU 5 4.789 -3.776 -2.513 32 HA LEU 5 HA LEU 5 3.978 -1.224 -3.477 33 1HB LEU 5 1HB LEU 5 3.084 -3.564 -4.100 34 2HB LEU 5 2HB LEU 5 2.078 -3.404 -2.674 35 HG LEU 5 HG LEU 5 2.031 -1.212 -4.698 36 1HD1 LEU 5 1HD1 LEU 5 1.713 -2.918 -6.225 37 2HD1 LEU 5 2HD1 LEU 5 0.063 -2.552 -5.719 38 3HD1 LEU 5 3HD1 LEU 5 0.900 -3.957 -5.055 39 1HD2 LEU 5 1HD2 LEU 5 0.168 -0.585 -3.623 40 2HD2 LEU 5 2HD2 LEU 5 0.739 -1.641 -2.333 41 3HD2 LEU 5 3HD2 LEU 5 -0.439 -2.236 -3.503 42 H LEU 6 H LEU 6 3.669 -2.874 -0.392 43 HA LEU 6 HA LEU 6 1.665 -1.403 0.842 44 1HB LEU 6 1HB LEU 6 3.749 -3.170 1.618 45 2HB LEU 6 2HB LEU 6 3.719 -1.842 2.746 46 HG LEU 6 HG LEU 6 2.351 -3.952 3.295 47 1HD1 LEU 6 1HD1 LEU 6 0.450 -2.479 4.173 48 2HD1 LEU 6 2HD1 LEU 6 1.339 -1.137 3.453 49 3HD1 LEU 6 3HD1 LEU 6 2.092 -2.120 4.707 50 1HD2 LEU 6 1HD2 LEU 6 0.364 -2.636 1.455 51 2HD2 LEU 6 2HD2 LEU 6 0.170 -4.133 2.366 52 3HD2 LEU 6 3HD2 LEU 6 1.307 -4.060 1.021 53 H GLY 7 H GLY 7 5.153 -0.694 0.668 54 1HA GLY 7 1HA GLY 7 5.116 1.630 2.249 55 2HA GLY 7 2HA GLY 7 6.313 1.253 1.027 56 H GLN 8 H GLN 8 4.538 1.139 -1.195 57 HA GLN 8 HA GLN 8 4.378 3.944 -1.818 58 1HB GLN 8 1HB GLN 8 4.597 1.688 -3.343 59 2HB GLN 8 2HB GLN 8 2.887 2.050 -3.535 60 1HG GLN 8 1HG GLN 8 5.142 3.965 -4.096 61 2HG GLN 8 2HG GLN 8 4.271 3.027 -5.308 62 1HE2 GLN 8 1HE2 GLN 8 4.251 5.808 -3.295 63 2HE2 GLN 8 2HE2 GLN 8 2.746 6.465 -3.840 64 H TRP 9 H TRP 9 2.148 1.363 -1.065 65 HA TRP 9 HA TRP 9 -0.302 2.694 -1.343 66 1HB TRP 9 1HB TRP 9 -0.048 0.264 -1.186 67 2HB TRP 9 2HB TRP 9 0.555 0.416 0.452 68 HD1 TRP 9 HD1 TRP 9 -2.653 1.702 -1.292 69 HE1 TRP 9 HE1 TRP 9 -4.652 1.117 0.237 70 HE3 TRP 9 HE3 TRP 9 -0.116 -0.642 2.436 71 HZ2 TRP 9 HZ2 TRP 9 -5.063 -0.175 2.729 72 HZ3 TRP 9 HZ3 TRP 9 -1.366 -1.514 4.366 73 HH2 TRP 9 HH2 TRP 9 -3.789 -1.275 4.503 74 H LEU 10 H LEU 10 1.907 2.269 1.374 75 HA LEU 10 HA LEU 10 0.314 3.591 3.319 76 1HB LEU 10 1HB LEU 10 2.838 2.270 3.228 77 2HB LEU 10 2HB LEU 10 3.069 3.834 3.984 78 HG LEU 10 HG LEU 10 1.188 3.253 5.555 79 1HD1 LEU 10 1HD1 LEU 10 0.597 0.893 5.782 80 2HD1 LEU 10 2HD1 LEU 10 1.563 0.513 4.355 81 3HD1 LEU 10 3HD1 LEU 10 0.127 1.525 4.204 82 1HD2 LEU 10 1HD2 LEU 10 3.538 3.088 6.205 83 2HD2 LEU 10 2HD2 LEU 10 3.600 1.442 5.576 84 3HD2 LEU 10 3HD2 LEU 10 2.574 1.819 6.959 85 H LYS 11 H LYS 11 2.669 4.706 0.970 86 HA LYS 11 HA LYS 11 3.220 7.244 2.018 87 1HB LYS 11 1HB LYS 11 4.480 6.247 0.157 88 2HB LYS 11 2HB LYS 11 3.069 6.385 -0.880 89 1HG LYS 11 1HG LYS 11 3.793 8.925 0.318 90 2HG LYS 11 2HG LYS 11 5.108 8.224 -0.625 91 1HD LYS 11 1HD LYS 11 4.089 8.706 -2.548 92 2HD LYS 11 2HD LYS 11 2.585 7.956 -2.007 93 1HE LYS 11 1HE LYS 11 1.964 10.162 -2.372 94 2HE LYS 11 2HE LYS 11 2.264 10.119 -0.636 95 1HZ LYS 11 1HZ LYS 11 4.193 11.075 -2.683 96 2HZ LYS 11 2HZ LYS 11 4.440 11.076 -1.010 97 3HZ LYS 11 3HZ LYS 11 3.251 12.068 -1.688 98 H ASP 12 H ASP 12 0.479 6.028 0.195 99 HA ASP 12 HA ASP 12 -0.675 8.698 -0.056 100 1HB ASP 12 1HB ASP 12 -0.679 6.799 -1.860 101 2HB ASP 12 2HB ASP 12 -2.048 6.182 -0.946 102 H GLY 13 H GLY 13 -0.397 7.043 2.544 103 1HA GLY 13 1HA GLY 13 -1.661 7.291 4.500 104 2HA GLY 13 2HA GLY 13 -3.068 7.672 3.521 105 H GLY 14 H GLY 14 -1.109 4.856 2.850 106 1HA GLY 14 1HA GLY 14 -1.686 2.644 2.719 107 2HA GLY 14 2HA GLY 14 -2.139 2.882 4.398 108 HA PRO 15 HA PRO 15 -6.069 1.228 2.948 109 1HB PRO 15 1HB PRO 15 -6.778 2.242 5.656 110 2HB PRO 15 2HB PRO 15 -7.131 0.685 4.919 111 1HG PRO 15 1HG PRO 15 -5.220 0.899 6.743 112 2HG PRO 15 2HG PRO 15 -4.974 -0.117 5.310 113 1HD PRO 15 1HD PRO 15 -3.893 2.607 5.906 114 2HD PRO 15 2HD PRO 15 -3.113 1.243 5.088 115 H SER 16 H SER 16 -5.764 4.331 4.659 116 HA SER 16 HA SER 16 -8.258 5.352 3.855 117 1HB SER 16 1HB SER 16 -5.754 6.836 4.692 118 2HB SER 16 2HB SER 16 -7.360 7.554 4.560 119 HG SER 16 HG SER 16 -8.011 6.467 6.307 120 H SER 17 H SER 17 -5.262 5.068 2.150 121 HA SER 17 HA SER 17 -5.203 7.142 0.374 122 1HB SER 17 1HB SER 17 -3.975 5.737 -1.111 123 2HB SER 17 2HB SER 17 -3.603 5.173 0.516 124 HG SER 17 HG SER 17 -4.249 3.599 -1.266 125 H GLY 18 H GLY 18 -7.303 4.296 0.235 126 1HA GLY 18 1HA GLY 18 -9.576 5.012 -0.728 127 2HA GLY 18 2HA GLY 18 -8.624 5.402 -2.154 128 H ARG 19 H ARG 19 -6.851 3.271 -2.182 129 HA ARG 19 HA ARG 19 -8.645 1.085 -2.943 130 1HB ARG 19 1HB ARG 19 -6.722 0.220 -4.220 131 2HB ARG 19 2HB ARG 19 -7.137 1.862 -4.688 132 1HG ARG 19 1HG ARG 19 -5.178 2.708 -3.969 133 2HG ARG 19 2HG ARG 19 -5.087 1.615 -2.587 134 1HD ARG 19 1HD ARG 19 -3.598 0.399 -3.696 135 2HD ARG 19 2HD ARG 19 -4.844 0.008 -4.881 136 HE ARG 19 HE ARG 19 -2.697 1.928 -5.165 137 1HH1 ARG 19 1HH1 ARG 19 -5.769 0.794 -6.412 138 2HH1 ARG 19 2HH1 ARG 19 -5.528 1.491 -7.976 139 1HH2 ARG 19 1HH2 ARG 19 -2.388 2.841 -7.231 140 2HH2 ARG 19 2HH2 ARG 19 -3.612 2.652 -8.443 141 HA PRO 20 HA PRO 20 -7.330 -1.472 0.411 142 1HB PRO 20 1HB PRO 20 -7.602 -3.942 -0.660 143 2HB PRO 20 2HB PRO 20 -8.989 -2.929 -0.240 144 1HG PRO 20 1HG PRO 20 -7.714 -3.384 -2.911 145 2HG PRO 20 2HG PRO 20 -9.435 -3.322 -2.489 146 1HD PRO 20 1HD PRO 20 -8.114 -1.229 -3.607 147 2HD PRO 20 2HD PRO 20 -9.483 -1.023 -2.497 148 HA PRO 21 HA PRO 21 -3.056 -2.576 0.309 149 1HB PRO 21 1HB PRO 21 -3.808 -5.298 1.253 150 2HB PRO 21 2HB PRO 21 -2.659 -4.146 1.939 151 1HG PRO 21 1HG PRO 21 -5.048 -4.548 3.061 152 2HG PRO 21 2HG PRO 21 -4.308 -2.939 3.018 153 1HD PRO 21 1HD PRO 21 -6.550 -4.038 1.400 154 2HD PRO 21 2HD PRO 21 -6.277 -2.385 1.977 155 HA PRO 22 HA PRO 22 -2.032 -4.515 -3.525 156 1HB PRO 22 1HB PRO 22 0.224 -5.945 -2.614 157 2HB PRO 22 2HB PRO 22 0.210 -4.326 -3.312 158 1HG PRO 22 1HG PRO 22 0.251 -5.157 -0.453 159 2HG PRO 22 2HG PRO 22 1.021 -3.762 -1.232 160 1HD PRO 22 1HD PRO 22 -1.169 -3.452 0.250 161 2HD PRO 22 2HD PRO 22 -0.958 -2.532 -1.254 162 H SER 23 H SER 23 -3.668 -5.948 -3.881 163 HA SER 23 HA SER 23 -3.894 -8.440 -2.485 164 1HB SER 23 1HB SER 23 -5.813 -7.142 -3.538 165 2HB SER 23 2HB SER 23 -5.237 -7.730 -5.097 166 HG SER 23 HG SER 23 -6.034 -9.632 -4.665 Start of MODEL 25 1 H ALA 1 H ALA 1 3.316 -9.015 -4.999 2 HA ALA 1 HA ALA 1 5.663 -8.531 -3.292 3 1HB ALA 1 1HB ALA 1 4.666 -7.132 -5.771 4 2HB ALA 1 2HB ALA 1 6.181 -8.015 -5.580 5 3HB ALA 1 3HB ALA 1 5.926 -6.506 -4.706 6 H LEU 2 H LEU 2 4.133 -8.511 -1.500 7 HA LEU 2 HA LEU 2 2.073 -6.488 -1.475 8 1HB LEU 2 1HB LEU 2 1.729 -8.604 -0.304 9 2HB LEU 2 2HB LEU 2 3.112 -8.278 0.723 10 HG LEU 2 HG LEU 2 1.052 -6.182 0.784 11 1HD1 LEU 2 1HD1 LEU 2 -0.627 -7.722 0.759 12 2HD1 LEU 2 2HD1 LEU 2 -0.216 -7.759 2.472 13 3HD1 LEU 2 3HD1 LEU 2 0.393 -9.014 1.392 14 1HD2 LEU 2 1HD2 LEU 2 2.941 -6.150 2.288 15 2HD2 LEU 2 2HD2 LEU 2 2.532 -7.759 2.886 16 3HD2 LEU 2 3HD2 LEU 2 1.456 -6.397 3.207 17 H GLN 3 H GLN 3 5.081 -7.043 0.370 18 HA GLN 3 HA GLN 3 5.051 -4.618 1.774 19 1HB GLN 3 1HB GLN 3 6.575 -6.806 1.931 20 2HB GLN 3 2HB GLN 3 7.677 -5.787 1.018 21 1HG GLN 3 1HG GLN 3 8.347 -5.204 3.088 22 2HG GLN 3 2HG GLN 3 7.019 -4.056 2.932 23 1HE2 GLN 3 1HE2 GLN 3 4.961 -4.646 3.884 24 2HE2 GLN 3 2HE2 GLN 3 4.933 -5.675 5.275 25 H GLU 4 H GLU 4 6.307 -5.418 -1.421 26 HA GLU 4 HA GLU 4 7.841 -3.125 -1.890 27 1HB GLU 4 1HB GLU 4 6.388 -5.038 -3.694 28 2HB GLU 4 2HB GLU 4 7.198 -3.628 -4.361 29 1HG GLU 4 1HG GLU 4 8.744 -5.366 -4.554 30 2HG GLU 4 2HG GLU 4 9.280 -4.435 -3.157 31 H LEU 5 H LEU 5 4.417 -3.756 -2.674 32 HA LEU 5 HA LEU 5 4.013 -1.037 -3.557 33 1HB LEU 5 1HB LEU 5 2.847 -3.263 -4.335 34 2HB LEU 5 2HB LEU 5 1.755 -2.903 -3.013 35 HG LEU 5 HG LEU 5 1.445 -2.035 -5.570 36 1HD1 LEU 5 1HD1 LEU 5 0.008 -0.180 -4.323 37 2HD1 LEU 5 2HD1 LEU 5 0.390 -1.200 -2.936 38 3HD1 LEU 5 3HD1 LEU 5 -0.445 -1.884 -4.330 39 1HD2 LEU 5 1HD2 LEU 5 2.542 0.331 -4.065 40 2HD2 LEU 5 2HD2 LEU 5 1.901 0.312 -5.708 41 3HD2 LEU 5 3HD2 LEU 5 3.405 -0.530 -5.339 42 H LEU 6 H LEU 6 3.883 -2.675 -0.556 43 HA LEU 6 HA LEU 6 1.830 -1.307 0.775 44 1HB LEU 6 1HB LEU 6 3.686 -3.222 1.410 45 2HB LEU 6 2HB LEU 6 4.150 -1.892 2.437 46 HG LEU 6 HG LEU 6 2.645 -3.456 3.582 47 1HD1 LEU 6 1HD1 LEU 6 2.610 -1.194 4.343 48 2HD1 LEU 6 2HD1 LEU 6 0.948 -1.785 4.316 49 3HD1 LEU 6 3HD1 LEU 6 1.525 -0.714 3.038 50 1HD2 LEU 6 1HD2 LEU 6 0.552 -2.612 1.586 51 2HD2 LEU 6 2HD2 LEU 6 0.366 -3.756 2.914 52 3HD2 LEU 6 3HD2 LEU 6 1.400 -4.157 1.544 53 H GLY 7 H GLY 7 5.343 -0.602 0.726 54 1HA GLY 7 1HA GLY 7 5.236 1.717 2.288 55 2HA GLY 7 2HA GLY 7 6.468 1.366 1.095 56 H GLN 8 H GLN 8 4.629 1.230 -1.137 57 HA GLN 8 HA GLN 8 4.515 4.044 -1.767 58 1HB GLN 8 1HB GLN 8 4.516 1.630 -3.238 59 2HB GLN 8 2HB GLN 8 2.979 2.406 -3.590 60 1HG GLN 8 1HG GLN 8 5.655 3.757 -3.849 61 2HG GLN 8 2HG GLN 8 4.802 2.972 -5.175 62 1HE2 GLN 8 1HE2 GLN 8 4.920 5.715 -3.062 63 2HE2 GLN 8 2HE2 GLN 8 3.721 6.659 -3.881 64 H TRP 9 H TRP 9 2.266 1.473 -1.037 65 HA TRP 9 HA TRP 9 -0.170 2.848 -1.312 66 1HB TRP 9 1HB TRP 9 0.093 0.399 -1.225 67 2HB TRP 9 2HB TRP 9 0.601 0.515 0.450 68 HD1 TRP 9 HD1 TRP 9 -2.486 1.995 -1.365 69 HE1 TRP 9 HE1 TRP 9 -4.575 1.324 -0.003 70 HE3 TRP 9 HE3 TRP 9 -0.206 -0.766 2.243 71 HZ2 TRP 9 HZ2 TRP 9 -5.151 -0.187 2.327 72 HZ3 TRP 9 HZ3 TRP 9 -1.579 -1.784 4.014 73 HH2 TRP 9 HH2 TRP 9 -3.998 -1.487 4.049 74 H LEU 10 H LEU 10 2.032 2.333 1.391 75 HA LEU 10 HA LEU 10 0.447 3.560 3.395 76 1HB LEU 10 1HB LEU 10 2.577 2.028 3.538 77 2HB LEU 10 2HB LEU 10 3.433 3.558 3.527 78 HG LEU 10 HG LEU 10 1.231 3.417 5.472 79 1HD1 LEU 10 1HD1 LEU 10 2.452 2.025 7.053 80 2HD1 LEU 10 2HD1 LEU 10 3.683 1.699 5.832 81 3HD1 LEU 10 3HD1 LEU 10 2.035 1.113 5.603 82 1HD2 LEU 10 1HD2 LEU 10 2.933 4.442 6.910 83 2HD2 LEU 10 2HD2 LEU 10 2.771 5.295 5.375 84 3HD2 LEU 10 3HD2 LEU 10 4.137 4.212 5.641 85 H LYS 11 H LYS 11 2.747 4.812 1.057 86 HA LYS 11 HA LYS 11 3.284 7.320 2.146 87 1HB LYS 11 1HB LYS 11 4.187 6.129 -0.009 88 2HB LYS 11 2HB LYS 11 2.875 6.984 -0.806 89 1HG LYS 11 1HG LYS 11 3.786 9.113 0.056 90 2HG LYS 11 2HG LYS 11 5.140 8.217 0.749 91 1HD LYS 11 1HD LYS 11 5.744 7.424 -1.502 92 2HD LYS 11 2HD LYS 11 4.412 8.365 -2.178 93 1HE LYS 11 1HE LYS 11 6.503 9.689 -0.494 94 2HE LYS 11 2HE LYS 11 6.818 9.346 -2.194 95 1HZ LYS 11 1HZ LYS 11 4.834 10.624 -2.767 96 2HZ LYS 11 2HZ LYS 11 5.950 11.570 -1.918 97 3HZ LYS 11 3HZ LYS 11 4.574 10.980 -1.132 98 H ASP 12 H ASP 12 0.457 6.139 0.431 99 HA ASP 12 HA ASP 12 -0.752 8.809 0.457 100 1HB ASP 12 1HB ASP 12 -0.744 7.304 -1.617 101 2HB ASP 12 2HB ASP 12 -1.927 6.311 -0.774 102 H GLY 13 H GLY 13 -0.371 7.279 2.930 103 1HA GLY 13 1HA GLY 13 -1.583 7.062 4.881 104 2HA GLY 13 2HA GLY 13 -3.014 7.574 4.001 105 H GLY 14 H GLY 14 -1.104 4.853 2.910 106 1HA GLY 14 1HA GLY 14 -1.669 2.665 2.570 107 2HA GLY 14 2HA GLY 14 -2.176 2.727 4.249 108 HA PRO 15 HA PRO 15 -6.073 1.268 2.558 109 1HB PRO 15 1HB PRO 15 -6.864 2.103 5.306 110 2HB PRO 15 2HB PRO 15 -7.218 0.611 4.446 111 1HG PRO 15 1HG PRO 15 -5.367 0.656 6.340 112 2HG PRO 15 2HG PRO 15 -5.092 -0.259 4.845 113 1HD PRO 15 1HD PRO 15 -3.978 2.386 5.676 114 2HD PRO 15 2HD PRO 15 -3.201 1.075 4.774 115 H SER 16 H SER 16 -5.814 4.269 4.464 116 HA SER 16 HA SER 16 -8.278 5.351 3.737 117 1HB SER 16 1HB SER 16 -7.537 7.387 4.662 118 2HB SER 16 2HB SER 16 -6.633 6.158 5.544 119 HG SER 16 HG SER 16 -4.963 7.276 4.929 120 H SER 17 H SER 17 -5.287 5.183 1.953 121 HA SER 17 HA SER 17 -5.439 7.237 0.149 122 1HB SER 17 1HB SER 17 -4.088 5.937 -1.321 123 2HB SER 17 2HB SER 17 -3.665 5.411 0.307 124 HG SER 17 HG SER 17 -4.866 3.568 0.011 125 H GLY 18 H GLY 18 -7.277 4.214 0.097 126 1HA GLY 18 1HA GLY 18 -9.613 4.666 -0.833 127 2HA GLY 18 2HA GLY 18 -8.746 5.179 -2.272 128 H ARG 19 H ARG 19 -6.740 3.242 -2.342 129 HA ARG 19 HA ARG 19 -8.265 0.974 -3.315 130 1HB ARG 19 1HB ARG 19 -6.149 0.222 -4.286 131 2HB ARG 19 2HB ARG 19 -6.474 1.896 -4.710 132 1HG ARG 19 1HG ARG 19 -4.837 2.699 -3.212 133 2HG ARG 19 2HG ARG 19 -4.691 1.131 -2.416 134 1HD ARG 19 1HD ARG 19 -2.831 1.104 -3.754 135 2HD ARG 19 2HD ARG 19 -4.004 0.323 -4.812 136 HE ARG 19 HE ARG 19 -4.155 3.010 -5.390 137 1HH1 ARG 19 1HH1 ARG 19 -1.661 0.556 -5.474 138 2HH1 ARG 19 2HH1 ARG 19 -0.798 1.303 -6.775 139 1HH2 ARG 19 1HH2 ARG 19 -3.016 3.990 -7.105 140 2HH2 ARG 19 2HH2 ARG 19 -1.568 3.252 -7.703 141 HA PRO 20 HA PRO 20 -7.595 -1.615 0.208 142 1HB PRO 20 1HB PRO 20 -7.508 -3.926 -1.604 143 2HB PRO 20 2HB PRO 20 -8.695 -3.522 -0.361 144 1HG PRO 20 1HG PRO 20 -9.271 -3.370 -2.986 145 2HG PRO 20 2HG PRO 20 -9.966 -2.249 -1.802 146 1HD PRO 20 1HD PRO 20 -7.693 -1.826 -3.705 147 2HD PRO 20 2HD PRO 20 -9.012 -0.722 -3.261 148 HA PRO 21 HA PRO 21 -3.333 -2.615 0.799 149 1HB PRO 21 1HB PRO 21 -4.225 -5.334 1.638 150 2HB PRO 21 2HB PRO 21 -3.177 -4.185 2.476 151 1HG PRO 21 1HG PRO 21 -5.708 -4.551 3.240 152 2HG PRO 21 2HG PRO 21 -4.952 -2.949 3.289 153 1HD PRO 21 1HD PRO 21 -6.959 -4.039 1.386 154 2HD PRO 21 2HD PRO 21 -6.729 -2.377 1.957 155 HA PRO 22 HA PRO 22 -2.224 -4.827 -2.907 156 1HB PRO 22 1HB PRO 22 0.461 -4.831 -2.597 157 2HB PRO 22 2HB PRO 22 -0.442 -3.372 -3.016 158 1HG PRO 22 1HG PRO 22 0.602 -4.254 -0.354 159 2HG PRO 22 2HG PRO 22 0.641 -2.642 -1.093 160 1HD PRO 22 1HD PRO 22 -1.192 -3.371 0.781 161 2HD PRO 22 2HD PRO 22 -1.526 -2.176 -0.486 162 H SER 23 H SER 23 -3.312 -6.725 -1.749 163 HA SER 23 HA SER 23 -1.881 -8.621 -0.274 164 1HB SER 23 1HB SER 23 -4.393 -8.525 -0.625 165 2HB SER 23 2HB SER 23 -4.120 -9.277 -2.197 166 HG SER 23 HG SER 23 -4.589 -10.803 -0.532 Start of MODEL 26 1 H ALA 1 H ALA 1 4.345 -8.467 -5.525 2 HA ALA 1 HA ALA 1 5.525 -9.056 -3.559 3 1HB ALA 1 1HB ALA 1 7.765 -8.474 -4.255 4 2HB ALA 1 2HB ALA 1 7.362 -7.613 -2.769 5 3HB ALA 1 3HB ALA 1 7.334 -6.765 -4.315 6 H LEU 2 H LEU 2 4.032 -8.520 -2.117 7 HA LEU 2 HA LEU 2 2.533 -6.107 -2.273 8 1HB LEU 2 1HB LEU 2 1.319 -6.902 -0.387 9 2HB LEU 2 2HB LEU 2 1.640 -8.267 -1.436 10 HG LEU 2 HG LEU 2 3.744 -8.470 0.255 11 1HD1 LEU 2 1HD1 LEU 2 3.354 -6.870 1.839 12 2HD1 LEU 2 2HD1 LEU 2 2.473 -8.222 2.548 13 3HD1 LEU 2 3HD1 LEU 2 1.602 -6.966 1.668 14 1HD2 LEU 2 1HD2 LEU 2 2.239 -10.269 -0.356 15 2HD2 LEU 2 2HD2 LEU 2 0.970 -9.581 0.657 16 3HD2 LEU 2 3HD2 LEU 2 2.442 -10.215 1.395 17 H GLN 3 H GLN 3 5.333 -7.101 -0.417 18 HA GLN 3 HA GLN 3 5.256 -5.202 1.632 19 1HB GLN 3 1HB GLN 3 6.943 -7.225 0.982 20 2HB GLN 3 2HB GLN 3 7.925 -5.839 0.532 21 1HG GLN 3 1HG GLN 3 6.634 -6.171 3.228 22 2HG GLN 3 2HG GLN 3 8.281 -6.675 2.853 23 1HE2 GLN 3 1HE2 GLN 3 6.241 -4.087 3.715 24 2HE2 GLN 3 2HE2 GLN 3 7.432 -2.832 3.693 25 H GLU 4 H GLU 4 6.844 -5.022 -1.558 26 HA GLU 4 HA GLU 4 7.852 -2.409 -1.264 27 1HB GLU 4 1HB GLU 4 7.256 -4.156 -3.632 28 2HB GLU 4 2HB GLU 4 7.749 -2.485 -3.871 29 1HG GLU 4 1HG GLU 4 9.794 -3.414 -3.933 30 2HG GLU 4 2HG GLU 4 9.669 -3.254 -2.183 31 H LEU 5 H LEU 5 4.805 -3.620 -2.628 32 HA LEU 5 HA LEU 5 3.812 -1.133 -3.515 33 1HB LEU 5 1HB LEU 5 2.997 -3.702 -3.772 34 2HB LEU 5 2HB LEU 5 1.855 -3.135 -2.569 35 HG LEU 5 HG LEU 5 2.279 -1.930 -5.306 36 1HD1 LEU 5 1HD1 LEU 5 0.369 -2.989 -6.011 37 2HD1 LEU 5 2HD1 LEU 5 -0.258 -3.188 -4.374 38 3HD1 LEU 5 3HD1 LEU 5 1.057 -4.216 -4.946 39 1HD2 LEU 5 1HD2 LEU 5 1.664 -0.167 -3.847 40 2HD2 LEU 5 2HD2 LEU 5 0.465 -1.168 -3.029 41 3HD2 LEU 5 3HD2 LEU 5 0.194 -0.652 -4.693 42 H LEU 6 H LEU 6 3.668 -2.778 -0.405 43 HA LEU 6 HA LEU 6 1.705 -1.259 0.874 44 1HB LEU 6 1HB LEU 6 3.578 -3.216 1.564 45 2HB LEU 6 2HB LEU 6 3.846 -1.900 2.678 46 HG LEU 6 HG LEU 6 2.296 -3.614 3.556 47 1HD1 LEU 6 1HD1 LEU 6 2.075 -1.499 4.541 48 2HD1 LEU 6 2HD1 LEU 6 0.432 -1.982 4.123 49 3HD1 LEU 6 3HD1 LEU 6 1.292 -0.820 3.113 50 1HD2 LEU 6 1HD2 LEU 6 1.281 -4.202 1.369 51 2HD2 LEU 6 2HD2 LEU 6 0.410 -2.669 1.405 52 3HD2 LEU 6 3HD2 LEU 6 0.095 -3.889 2.637 53 H GLY 7 H GLY 7 5.205 -0.685 0.586 54 1HA GLY 7 1HA GLY 7 5.276 1.604 2.250 55 2HA GLY 7 2HA GLY 7 6.458 1.188 1.028 56 H GLN 8 H GLN 8 4.594 1.133 -1.159 57 HA GLN 8 HA GLN 8 4.575 3.953 -1.791 58 1HB GLN 8 1HB GLN 8 4.604 1.589 -3.277 59 2HB GLN 8 2HB GLN 8 3.011 2.263 -3.585 60 1HG GLN 8 1HG GLN 8 4.450 3.064 -5.278 61 2HG GLN 8 2HG GLN 8 4.132 4.414 -4.192 62 1HE2 GLN 8 1HE2 GLN 8 5.796 5.336 -3.081 63 2HE2 GLN 8 2HE2 GLN 8 7.453 4.877 -3.282 64 H TRP 9 H TRP 9 2.263 1.447 -1.037 65 HA TRP 9 HA TRP 9 -0.135 2.894 -1.326 66 1HB TRP 9 1HB TRP 9 0.058 0.431 -1.247 67 2HB TRP 9 2HB TRP 9 0.537 0.533 0.437 68 HD1 TRP 9 HD1 TRP 9 -2.455 2.157 -1.409 69 HE1 TRP 9 HE1 TRP 9 -4.594 1.556 -0.095 70 HE3 TRP 9 HE3 TRP 9 -0.361 -0.770 2.179 71 HZ2 TRP 9 HZ2 TRP 9 -5.274 0.030 2.198 72 HZ3 TRP 9 HZ3 TRP 9 -1.805 -1.761 3.907 73 HH2 TRP 9 HH2 TRP 9 -4.210 -1.357 3.911 74 H LEU 10 H LEU 10 2.060 2.312 1.366 75 HA LEU 10 HA LEU 10 0.512 3.532 3.393 76 1HB LEU 10 1HB LEU 10 2.457 1.993 3.742 77 2HB LEU 10 2HB LEU 10 3.519 3.312 3.288 78 HG LEU 10 HG LEU 10 1.666 4.038 5.427 79 1HD1 LEU 10 1HD1 LEU 10 2.751 2.726 7.167 80 2HD1 LEU 10 2HD1 LEU 10 3.694 1.868 5.948 81 3HD1 LEU 10 3HD1 LEU 10 1.941 1.678 6.001 82 1HD2 LEU 10 1HD2 LEU 10 3.708 4.908 6.425 83 2HD2 LEU 10 2HD2 LEU 10 3.589 5.389 4.733 84 3HD2 LEU 10 3HD2 LEU 10 4.674 4.081 5.202 85 H LYS 11 H LYS 11 2.791 4.819 1.048 86 HA LYS 11 HA LYS 11 3.320 7.317 2.143 87 1HB LYS 11 1HB LYS 11 4.145 6.139 -0.071 88 2HB LYS 11 2HB LYS 11 2.843 7.068 -0.800 89 1HG LYS 11 1HG LYS 11 3.829 9.131 -0.036 90 2HG LYS 11 2HG LYS 11 5.081 8.243 0.837 91 1HD LYS 11 1HD LYS 11 4.722 7.831 -2.105 92 2HD LYS 11 2HD LYS 11 5.602 9.241 -1.513 93 1HE LYS 11 1HE LYS 11 7.026 7.653 -0.176 94 2HE LYS 11 2HE LYS 11 6.248 6.335 -1.052 95 1HZ LYS 11 1HZ LYS 11 7.039 7.382 -3.133 96 2HZ LYS 11 2HZ LYS 11 8.297 6.874 -2.123 97 3HZ LYS 11 3HZ LYS 11 7.897 8.515 -2.213 98 H ASP 12 H ASP 12 0.469 6.140 0.469 99 HA ASP 12 HA ASP 12 -0.776 8.792 0.585 100 1HB ASP 12 1HB ASP 12 -0.789 7.340 -1.527 101 2HB ASP 12 2HB ASP 12 -1.931 6.303 -0.683 102 H GLY 13 H GLY 13 -0.340 7.486 3.050 103 1HA GLY 13 1HA GLY 13 -1.448 7.030 5.006 104 2HA GLY 13 2HA GLY 13 -2.903 7.621 4.220 105 H GLY 14 H GLY 14 -1.087 4.921 2.923 106 1HA GLY 14 1HA GLY 14 -1.697 2.761 2.500 107 2HA GLY 14 2HA GLY 14 -2.204 2.754 4.180 108 HA PRO 15 HA PRO 15 -6.155 1.512 2.457 109 1HB PRO 15 1HB PRO 15 -6.928 2.316 5.219 110 2HB PRO 15 2HB PRO 15 -7.334 0.857 4.325 111 1HG PRO 15 1HG PRO 15 -5.492 0.786 6.226 112 2HG PRO 15 2HG PRO 15 -5.241 -0.100 4.710 113 1HD PRO 15 1HD PRO 15 -4.043 2.486 5.612 114 2HD PRO 15 2HD PRO 15 -3.301 1.167 4.689 115 H SER 16 H SER 16 -5.744 4.475 4.388 116 HA SER 16 HA SER 16 -8.165 5.679 3.801 117 1HB SER 16 1HB SER 16 -7.235 7.708 4.578 118 2HB SER 16 2HB SER 16 -6.350 6.450 5.441 119 HG SER 16 HG SER 16 -5.469 8.265 3.563 120 H SER 17 H SER 17 -5.290 5.413 1.814 121 HA SER 17 HA SER 17 -5.603 7.408 -0.047 122 1HB SER 17 1HB SER 17 -4.340 6.059 -1.572 123 2HB SER 17 2HB SER 17 -3.755 5.683 0.046 124 HG SER 17 HG SER 17 -4.102 3.794 -1.179 125 H GLY 18 H GLY 18 -7.216 4.238 -0.012 126 1HA GLY 18 1HA GLY 18 -9.666 4.566 -0.742 127 2HA GLY 18 2HA GLY 18 -8.929 5.112 -2.243 128 H ARG 19 H ARG 19 -6.820 3.305 -2.437 129 HA ARG 19 HA ARG 19 -8.218 0.971 -3.385 130 1HB ARG 19 1HB ARG 19 -6.050 0.283 -4.275 131 2HB ARG 19 2HB ARG 19 -6.389 1.957 -4.694 132 1HG ARG 19 1HG ARG 19 -4.969 2.614 -2.714 133 2HG ARG 19 2HG ARG 19 -4.476 0.924 -2.617 134 1HD ARG 19 1HD ARG 19 -4.061 2.821 -4.922 135 2HD ARG 19 2HD ARG 19 -2.824 2.147 -3.864 136 HE ARG 19 HE ARG 19 -4.032 0.890 -6.141 137 1HH1 ARG 19 1HH1 ARG 19 -2.444 0.274 -3.079 138 2HH1 ARG 19 2HH1 ARG 19 -1.879 -1.293 -3.550 139 1HH2 ARG 19 1HH2 ARG 19 -3.288 -1.170 -6.753 140 2HH2 ARG 19 2HH2 ARG 19 -2.357 -2.113 -5.639 141 HA PRO 20 HA PRO 20 -7.605 -1.544 0.215 142 1HB PRO 20 1HB PRO 20 -7.643 -3.895 -1.538 143 2HB PRO 20 2HB PRO 20 -8.807 -3.400 -0.309 144 1HG PRO 20 1HG PRO 20 -9.376 -3.297 -2.940 145 2HG PRO 20 2HG PRO 20 -10.025 -2.117 -1.784 146 1HD PRO 20 1HD PRO 20 -7.723 -1.842 -3.687 147 2HD PRO 20 2HD PRO 20 -9.006 -0.676 -3.293 148 HA PRO 21 HA PRO 21 -3.365 -2.752 0.518 149 1HB PRO 21 1HB PRO 21 -3.520 -5.026 2.044 150 2HB PRO 21 2HB PRO 21 -3.668 -3.391 2.694 151 1HG PRO 21 1HG PRO 21 -5.812 -5.351 1.986 152 2HG PRO 21 2HG PRO 21 -5.697 -4.274 3.391 153 1HD PRO 21 1HD PRO 21 -7.270 -3.702 1.285 154 2HD PRO 21 2HD PRO 21 -6.427 -2.433 2.196 155 HA PRO 22 HA PRO 22 -2.675 -5.881 -2.571 156 1HB PRO 22 1HB PRO 22 -0.004 -5.959 -2.542 157 2HB PRO 22 2HB PRO 22 -0.868 -4.512 -3.073 158 1HG PRO 22 1HG PRO 22 0.445 -5.078 -0.447 159 2HG PRO 22 2HG PRO 22 0.452 -3.587 -1.405 160 1HD PRO 22 1HD PRO 22 -1.199 -4.057 0.762 161 2HD PRO 22 2HD PRO 22 -1.529 -2.879 -0.523 162 H SER 23 H SER 23 -3.521 -7.057 -0.158 163 HA SER 23 HA SER 23 -3.587 -9.082 0.853 164 1HB SER 23 1HB SER 23 -2.927 -10.899 -0.345 165 2HB SER 23 2HB SER 23 -2.674 -9.700 -1.610 166 HG SER 23 HG SER 23 -0.539 -9.818 -1.324 Start of MODEL 27 1 H ALA 1 H ALA 1 6.724 -4.820 -5.650 2 HA ALA 1 HA ALA 1 5.950 -7.654 -5.443 3 1HB ALA 1 1HB ALA 1 7.445 -7.775 -3.580 4 2HB ALA 1 2HB ALA 1 7.789 -6.047 -3.677 5 3HB ALA 1 3HB ALA 1 8.339 -7.130 -4.957 6 H LEU 2 H LEU 2 4.898 -8.163 -3.399 7 HA LEU 2 HA LEU 2 2.736 -6.443 -2.832 8 1HB LEU 2 1HB LEU 2 3.770 -9.001 -1.746 9 2HB LEU 2 2HB LEU 2 2.711 -8.079 -0.696 10 HG LEU 2 HG LEU 2 1.071 -8.034 -2.667 11 1HD1 LEU 2 1HD1 LEU 2 1.316 -9.970 -4.205 12 2HD1 LEU 2 2HD1 LEU 2 2.951 -10.201 -3.586 13 3HD1 LEU 2 3HD1 LEU 2 2.532 -8.715 -4.439 14 1HD2 LEU 2 1HD2 LEU 2 1.701 -10.678 -1.359 15 2HD2 LEU 2 2HD2 LEU 2 0.156 -10.198 -2.062 16 3HD2 LEU 2 3HD2 LEU 2 0.768 -9.372 -0.629 17 H GLN 3 H GLN 3 5.696 -7.182 -0.997 18 HA GLN 3 HA GLN 3 5.136 -5.560 1.232 19 1HB GLN 3 1HB GLN 3 7.155 -7.292 0.526 20 2HB GLN 3 2HB GLN 3 7.974 -5.736 0.510 21 1HG GLN 3 1HG GLN 3 7.426 -5.330 2.783 22 2HG GLN 3 2HG GLN 3 6.326 -6.707 2.828 23 1HE2 GLN 3 1HE2 GLN 3 7.219 -8.830 2.754 24 2HE2 GLN 3 2HE2 GLN 3 8.842 -9.118 3.278 25 H GLU 4 H GLU 4 6.823 -4.872 -1.812 26 HA GLU 4 HA GLU 4 7.617 -2.235 -1.160 27 1HB GLU 4 1HB GLU 4 7.163 -3.583 -3.827 28 2HB GLU 4 2HB GLU 4 7.832 -1.966 -3.657 29 1HG GLU 4 1HG GLU 4 9.698 -2.891 -2.359 30 2HG GLU 4 2HG GLU 4 9.036 -4.508 -2.585 31 H LEU 5 H LEU 5 4.715 -3.571 -2.674 32 HA LEU 5 HA LEU 5 3.542 -1.138 -3.471 33 1HB LEU 5 1HB LEU 5 2.886 -3.528 -4.115 34 2HB LEU 5 2HB LEU 5 1.997 -3.571 -2.607 35 HG LEU 5 HG LEU 5 1.487 -1.392 -4.605 36 1HD1 LEU 5 1HD1 LEU 5 -0.107 -3.922 -4.601 37 2HD1 LEU 5 2HD1 LEU 5 1.344 -3.778 -5.594 38 3HD1 LEU 5 3HD1 LEU 5 -0.002 -2.665 -5.834 39 1HD2 LEU 5 1HD2 LEU 5 -0.764 -2.476 -3.157 40 2HD2 LEU 5 2HD2 LEU 5 -0.154 -0.823 -3.216 41 3HD2 LEU 5 3HD2 LEU 5 0.519 -1.970 -2.059 42 H LEU 6 H LEU 6 3.489 -2.899 -0.413 43 HA LEU 6 HA LEU 6 1.430 -1.493 0.874 44 1HB LEU 6 1HB LEU 6 2.836 -3.585 1.541 45 2HB LEU 6 2HB LEU 6 3.837 -2.425 2.373 46 HG LEU 6 HG LEU 6 2.250 -3.422 3.913 47 1HD1 LEU 6 1HD1 LEU 6 1.473 -1.476 4.941 48 2HD1 LEU 6 2HD1 LEU 6 1.252 -0.641 3.405 49 3HD1 LEU 6 3HD1 LEU 6 2.877 -0.947 4.014 50 1HD2 LEU 6 1HD2 LEU 6 0.126 -2.366 2.054 51 2HD2 LEU 6 2HD2 LEU 6 -0.166 -3.068 3.645 52 3HD2 LEU 6 3HD2 LEU 6 0.511 -4.061 2.355 53 H GLY 7 H GLY 7 4.954 -0.930 0.902 54 1HA GLY 7 1HA GLY 7 4.885 1.364 2.539 55 2HA GLY 7 2HA GLY 7 6.162 0.957 1.412 56 H GLN 8 H GLN 8 4.282 0.872 -0.860 57 HA GLN 8 HA GLN 8 4.387 3.687 -1.542 58 1HB GLN 8 1HB GLN 8 4.197 1.216 -2.969 59 2HB GLN 8 2HB GLN 8 2.811 2.201 -3.416 60 1HG GLN 8 1HG GLN 8 4.628 2.576 -4.951 61 2HG GLN 8 2HG GLN 8 4.321 4.036 -4.014 62 1HE2 GLN 8 1HE2 GLN 8 5.915 4.873 -2.769 63 2HE2 GLN 8 2HE2 GLN 8 7.500 4.192 -2.635 64 H TRP 9 H TRP 9 2.015 1.262 -0.749 65 HA TRP 9 HA TRP 9 -0.352 2.743 -1.110 66 1HB TRP 9 1HB TRP 9 -0.237 0.289 -0.949 67 2HB TRP 9 2HB TRP 9 0.289 0.420 0.720 68 HD1 TRP 9 HD1 TRP 9 -2.723 1.921 -1.190 69 HE1 TRP 9 HE1 TRP 9 -4.839 1.478 0.223 70 HE3 TRP 9 HE3 TRP 9 -0.571 -0.600 2.666 71 HZ2 TRP 9 HZ2 TRP 9 -5.479 0.217 2.677 72 HZ3 TRP 9 HZ3 TRP 9 -1.987 -1.382 4.519 73 HH2 TRP 9 HH2 TRP 9 -4.392 -0.968 4.517 74 H LEU 10 H LEU 10 1.768 2.152 1.653 75 HA LEU 10 HA LEU 10 0.227 3.562 3.573 76 1HB LEU 10 1HB LEU 10 2.496 1.979 3.618 77 2HB LEU 10 2HB LEU 10 3.099 3.560 4.077 78 HG LEU 10 HG LEU 10 1.289 3.619 5.843 79 1HD1 LEU 10 1HD1 LEU 10 0.071 1.731 6.403 80 2HD1 LEU 10 2HD1 LEU 10 1.146 0.649 5.519 81 3HD1 LEU 10 3HD1 LEU 10 0.036 1.701 4.641 82 1HD2 LEU 10 1HD2 LEU 10 3.370 1.443 6.022 83 2HD2 LEU 10 2HD2 LEU 10 2.541 2.194 7.386 84 3HD2 LEU 10 3HD2 LEU 10 3.621 3.154 6.375 85 H LYS 11 H LYS 11 2.664 4.555 1.256 86 HA LYS 11 HA LYS 11 3.337 7.061 2.307 87 1HB LYS 11 1HB LYS 11 4.353 5.770 0.309 88 2HB LYS 11 2HB LYS 11 3.095 6.542 -0.647 89 1HG LYS 11 1HG LYS 11 4.488 8.464 0.997 90 2HG LYS 11 2HG LYS 11 5.603 7.563 -0.031 91 1HD LYS 11 1HD LYS 11 4.210 8.110 -1.986 92 2HD LYS 11 2HD LYS 11 3.140 9.051 -0.944 93 1HE LYS 11 1HE LYS 11 6.079 9.632 -1.070 94 2HE LYS 11 2HE LYS 11 4.975 10.279 -2.283 95 1HZ LYS 11 1HZ LYS 11 4.822 10.734 0.649 96 2HZ LYS 11 2HZ LYS 11 3.695 11.302 -0.476 97 3HZ LYS 11 3HZ LYS 11 5.288 11.865 -0.519 98 H ASP 12 H ASP 12 0.549 5.986 0.473 99 HA ASP 12 HA ASP 12 -0.483 8.722 0.298 100 1HB ASP 12 1HB ASP 12 -0.467 6.960 -1.641 101 2HB ASP 12 2HB ASP 12 -1.888 6.316 -0.827 102 H GLY 13 H GLY 13 -0.333 7.609 2.885 103 1HA GLY 13 1HA GLY 13 -1.629 7.492 4.776 104 2HA GLY 13 2HA GLY 13 -2.993 8.001 3.794 105 H GLY 14 H GLY 14 -1.121 5.110 3.098 106 1HA GLY 14 1HA GLY 14 -1.779 2.930 2.869 107 2HA GLY 14 2HA GLY 14 -2.393 3.151 4.499 108 HA PRO 15 HA PRO 15 -6.250 1.756 2.652 109 1HB PRO 15 1HB PRO 15 -7.165 2.844 5.269 110 2HB PRO 15 2HB PRO 15 -7.551 1.309 4.502 111 1HG PRO 15 1HG PRO 15 -5.829 1.401 6.511 112 2HG PRO 15 2HG PRO 15 -5.502 0.366 5.108 113 1HD PRO 15 1HD PRO 15 -4.314 3.018 5.821 114 2HD PRO 15 2HD PRO 15 -3.541 1.602 5.085 115 H SER 16 H SER 16 -5.848 4.882 4.279 116 HA SER 16 HA SER 16 -8.201 6.086 3.443 117 1HB SER 16 1HB SER 16 -5.524 7.441 3.853 118 2HB SER 16 2HB SER 16 -7.102 8.227 3.883 119 HG SER 16 HG SER 16 -5.843 6.709 5.808 120 H SER 17 H SER 17 -5.286 5.433 1.644 121 HA SER 17 HA SER 17 -5.345 7.272 -0.399 122 1HB SER 17 1HB SER 17 -4.140 5.676 -1.739 123 2HB SER 17 2HB SER 17 -3.630 5.464 -0.066 124 HG SER 17 HG SER 17 -4.723 3.671 -1.718 125 H GLY 18 H GLY 18 -7.263 4.295 -0.112 126 1HA GLY 18 1HA GLY 18 -9.618 4.792 -1.049 127 2HA GLY 18 2HA GLY 18 -8.737 5.030 -2.551 128 H ARG 19 H ARG 19 -6.900 2.995 -2.474 129 HA ARG 19 HA ARG 19 -8.619 0.676 -2.900 130 1HB ARG 19 1HB ARG 19 -6.696 -0.281 -4.081 131 2HB ARG 19 2HB ARG 19 -7.091 1.315 -4.700 132 1HG ARG 19 1HG ARG 19 -5.111 2.174 -4.101 133 2HG ARG 19 2HG ARG 19 -5.093 1.319 -2.558 134 1HD ARG 19 1HD ARG 19 -3.307 0.386 -3.726 135 2HD ARG 19 2HD ARG 19 -4.609 -0.780 -3.954 136 HE ARG 19 HE ARG 19 -4.814 0.854 -6.117 137 1HH1 ARG 19 1HH1 ARG 19 -2.197 -1.027 -4.745 138 2HH1 ARG 19 2HH1 ARG 19 -1.423 -1.286 -6.271 139 1HH2 ARG 19 1HH2 ARG 19 -3.789 0.505 -8.123 140 2HH2 ARG 19 2HH2 ARG 19 -2.324 -0.417 -8.188 141 HA PRO 20 HA PRO 20 -7.197 -1.530 0.660 142 1HB PRO 20 1HB PRO 20 -7.307 -4.092 -0.161 143 2HB PRO 20 2HB PRO 20 -8.766 -3.120 0.064 144 1HG PRO 20 1HG PRO 20 -7.303 -3.788 -2.461 145 2HG PRO 20 2HG PRO 20 -9.049 -3.770 -2.150 146 1HD PRO 20 1HD PRO 20 -7.718 -1.738 -3.398 147 2HD PRO 20 2HD PRO 20 -9.205 -1.503 -2.459 148 HA PRO 21 HA PRO 21 -2.879 -2.469 0.565 149 1HB PRO 21 1HB PRO 21 -2.671 -4.716 2.116 150 2HB PRO 21 2HB PRO 21 -2.903 -3.090 2.762 151 1HG PRO 21 1HG PRO 21 -4.915 -5.253 2.306 152 2HG PRO 21 2HG PRO 21 -4.762 -4.136 3.675 153 1HD PRO 21 1HD PRO 21 -6.583 -3.770 1.721 154 2HD PRO 21 2HD PRO 21 -5.795 -2.409 2.544 155 HA PRO 22 HA PRO 22 -1.953 -5.416 -2.591 156 1HB PRO 22 1HB PRO 22 0.630 -6.053 -1.978 157 2HB PRO 22 2HB PRO 22 0.153 -4.535 -2.745 158 1HG PRO 22 1HG PRO 22 0.765 -5.096 0.128 159 2HG PRO 22 2HG PRO 22 1.227 -3.702 -0.864 160 1HD PRO 22 1HD PRO 22 -0.819 -3.610 0.897 161 2HD PRO 22 2HD PRO 22 -0.830 -2.685 -0.617 162 H SER 23 H SER 23 -1.066 -6.353 0.694 163 HA SER 23 HA SER 23 -1.226 -9.176 0.016 164 1HB SER 23 1HB SER 23 0.550 -8.088 1.569 165 2HB SER 23 2HB SER 23 -0.727 -8.116 2.785 166 HG SER 23 HG SER 23 0.669 -10.223 1.612 Start of MODEL 28 1 H ALA 1 H ALA 1 4.778 -8.699 -5.442 2 HA ALA 1 HA ALA 1 6.350 -7.231 -4.451 3 1HB ALA 1 1HB ALA 1 5.371 -5.392 -6.598 4 2HB ALA 1 2HB ALA 1 7.024 -5.755 -6.102 5 3HB ALA 1 3HB ALA 1 6.000 -4.740 -5.085 6 H LEU 2 H LEU 2 4.825 -8.058 -2.910 7 HA LEU 2 HA LEU 2 2.351 -6.602 -2.489 8 1HB LEU 2 1HB LEU 2 3.589 -8.753 -0.770 9 2HB LEU 2 2HB LEU 2 1.939 -8.170 -0.691 10 HG LEU 2 HG LEU 2 3.073 -9.552 -3.119 11 1HD1 LEU 2 1HD1 LEU 2 1.918 -11.563 -2.336 12 2HD1 LEU 2 2HD1 LEU 2 1.513 -10.741 -0.829 13 3HD1 LEU 2 3HD1 LEU 2 3.200 -11.072 -1.228 14 1HD2 LEU 2 1HD2 LEU 2 0.197 -9.302 -2.296 15 2HD2 LEU 2 2HD2 LEU 2 0.865 -9.699 -3.880 16 3HD2 LEU 2 3HD2 LEU 2 1.001 -8.056 -3.252 17 H GLN 3 H GLN 3 5.306 -7.241 -0.588 18 HA GLN 3 HA GLN 3 4.668 -5.358 1.447 19 1HB GLN 3 1HB GLN 3 6.508 -7.383 1.183 20 2HB GLN 3 2HB GLN 3 7.520 -5.948 1.084 21 1HG GLN 3 1HG GLN 3 6.304 -5.181 3.204 22 2HG GLN 3 2HG GLN 3 5.763 -6.854 3.334 23 1HE2 GLN 3 1HE2 GLN 3 7.278 -8.478 3.750 24 2HE2 GLN 3 2HE2 GLN 3 8.856 -8.120 4.361 25 H GLU 4 H GLU 4 6.597 -5.211 -1.512 26 HA GLU 4 HA GLU 4 7.801 -2.705 -1.079 27 1HB GLU 4 1HB GLU 4 7.060 -4.113 -3.647 28 2HB GLU 4 2HB GLU 4 8.032 -2.649 -3.577 29 1HG GLU 4 1HG GLU 4 9.870 -3.734 -2.848 30 2HG GLU 4 2HG GLU 4 8.944 -4.904 -1.909 31 H LEU 5 H LEU 5 4.740 -3.603 -2.645 32 HA LEU 5 HA LEU 5 4.012 -0.988 -3.437 33 1HB LEU 5 1HB LEU 5 3.014 -3.064 -4.351 34 2HB LEU 5 2HB LEU 5 2.206 -3.325 -2.819 35 HG LEU 5 HG LEU 5 0.739 -1.517 -3.142 36 1HD1 LEU 5 1HD1 LEU 5 2.478 -0.616 -5.435 37 2HD1 LEU 5 2HD1 LEU 5 2.381 0.142 -3.846 38 3HD1 LEU 5 3HD1 LEU 5 0.976 0.145 -4.912 39 1HD2 LEU 5 1HD2 LEU 5 0.548 -3.576 -4.714 40 2HD2 LEU 5 2HD2 LEU 5 0.995 -2.428 -5.976 41 3HD2 LEU 5 3HD2 LEU 5 -0.455 -2.156 -5.011 42 H LEU 6 H LEU 6 3.698 -2.732 -0.429 43 HA LEU 6 HA LEU 6 1.700 -1.279 0.857 44 1HB LEU 6 1HB LEU 6 3.311 -3.309 1.526 45 2HB LEU 6 2HB LEU 6 4.049 -2.045 2.473 46 HG LEU 6 HG LEU 6 2.462 -3.277 3.827 47 1HD1 LEU 6 1HD1 LEU 6 1.101 -1.444 4.634 48 2HD1 LEU 6 2HD1 LEU 6 1.370 -0.554 3.135 49 3HD1 LEU 6 3HD1 LEU 6 2.718 -0.869 4.227 50 1HD2 LEU 6 1HD2 LEU 6 1.028 -4.056 1.975 51 2HD2 LEU 6 2HD2 LEU 6 0.354 -2.431 1.847 52 3HD2 LEU 6 3HD2 LEU 6 0.108 -3.373 3.316 53 H GLY 7 H GLY 7 5.205 -0.637 0.707 54 1HA GLY 7 1HA GLY 7 5.173 1.651 2.364 55 2HA GLY 7 2HA GLY 7 6.401 1.269 1.173 56 H GLN 8 H GLN 8 4.467 1.158 -1.022 57 HA GLN 8 HA GLN 8 4.434 3.992 -1.656 58 1HB GLN 8 1HB GLN 8 4.644 1.738 -3.195 59 2HB GLN 8 2HB GLN 8 2.948 2.141 -3.418 60 1HG GLN 8 1HG GLN 8 5.295 3.947 -3.963 61 2HG GLN 8 2HG GLN 8 4.304 3.122 -5.165 62 1HE2 GLN 8 1HE2 GLN 8 4.601 5.838 -3.094 63 2HE2 GLN 8 2HE2 GLN 8 3.133 6.630 -3.554 64 H TRP 9 H TRP 9 2.206 1.434 -0.872 65 HA TRP 9 HA TRP 9 -0.245 2.783 -1.186 66 1HB TRP 9 1HB TRP 9 0.082 0.318 -0.999 67 2HB TRP 9 2HB TRP 9 0.483 0.534 0.696 68 HD1 TRP 9 HD1 TRP 9 -2.486 1.940 -1.354 69 HE1 TRP 9 HE1 TRP 9 -4.653 1.320 -0.103 70 HE3 TRP 9 HE3 TRP 9 -0.444 -0.716 2.467 71 HZ2 TRP 9 HZ2 TRP 9 -5.378 -0.111 2.237 72 HZ3 TRP 9 HZ3 TRP 9 -1.925 -1.667 4.186 73 HH2 TRP 9 HH2 TRP 9 -4.341 -1.358 4.067 74 H LEU 10 H LEU 10 2.003 2.387 1.488 75 HA LEU 10 HA LEU 10 0.418 3.700 3.456 76 1HB LEU 10 1HB LEU 10 2.313 2.102 3.888 77 2HB LEU 10 2HB LEU 10 3.417 3.385 3.432 78 HG LEU 10 HG LEU 10 2.051 4.689 5.327 79 1HD1 LEU 10 1HD1 LEU 10 0.567 2.802 5.793 80 2HD1 LEU 10 2HD1 LEU 10 1.561 3.208 7.193 81 3HD1 LEU 10 3HD1 LEU 10 1.964 1.806 6.203 82 1HD2 LEU 10 1HD2 LEU 10 4.472 4.393 5.237 83 2HD2 LEU 10 2HD2 LEU 10 4.299 2.747 5.846 84 3HD2 LEU 10 3HD2 LEU 10 3.857 4.116 6.866 85 H LYS 11 H LYS 11 2.868 4.774 1.157 86 HA LYS 11 HA LYS 11 3.423 7.312 2.133 87 1HB LYS 11 1HB LYS 11 4.312 5.973 0.028 88 2HB LYS 11 2HB LYS 11 3.104 6.932 -0.815 89 1HG LYS 11 1HG LYS 11 4.960 8.252 -1.038 90 2HG LYS 11 2HG LYS 11 4.240 8.929 0.423 91 1HD LYS 11 1HD LYS 11 5.765 7.716 1.815 92 2HD LYS 11 2HD LYS 11 6.383 6.808 0.434 93 1HE LYS 11 1HE LYS 11 6.549 9.787 0.414 94 2HE LYS 11 2HE LYS 11 7.697 8.870 1.388 95 1HZ LYS 11 1HZ LYS 11 7.247 8.537 -1.530 96 2HZ LYS 11 2HZ LYS 11 8.345 7.648 -0.598 97 3HZ LYS 11 3HZ LYS 11 8.571 9.310 -0.815 98 H ASP 12 H ASP 12 0.777 6.254 0.017 99 HA ASP 12 HA ASP 12 -0.371 8.853 -0.263 100 1HB ASP 12 1HB ASP 12 -0.656 6.782 -1.790 101 2HB ASP 12 2HB ASP 12 -1.883 6.274 -0.636 102 H GLY 13 H GLY 13 -0.884 6.117 1.896 103 1HA GLY 13 1HA GLY 13 -1.580 7.044 4.195 104 2HA GLY 13 2HA GLY 13 -2.992 7.608 3.314 105 H GLY 14 H GLY 14 -1.228 4.535 3.057 106 1HA GLY 14 1HA GLY 14 -2.010 2.386 2.978 107 2HA GLY 14 2HA GLY 14 -2.656 2.821 4.550 108 HA PRO 15 HA PRO 15 -6.407 1.258 2.522 109 1HB PRO 15 1HB PRO 15 -7.349 2.148 5.205 110 2HB PRO 15 2HB PRO 15 -7.697 0.658 4.338 111 1HG PRO 15 1HG PRO 15 -5.972 0.665 6.351 112 2HG PRO 15 2HG PRO 15 -5.632 -0.280 4.888 113 1HD PRO 15 1HD PRO 15 -4.470 2.334 5.761 114 2HD PRO 15 2HD PRO 15 -3.697 0.987 4.912 115 H SER 16 H SER 16 -6.159 4.246 4.436 116 HA SER 16 HA SER 16 -8.518 5.427 3.481 117 1HB SER 16 1HB SER 16 -7.055 6.092 5.508 118 2HB SER 16 2HB SER 16 -6.126 7.038 4.344 119 HG SER 16 HG SER 16 -8.673 7.453 5.346 120 H SER 17 H SER 17 -5.379 5.121 2.032 121 HA SER 17 HA SER 17 -5.206 7.287 0.337 122 1HB SER 17 1HB SER 17 -3.726 6.000 -1.003 123 2HB SER 17 2HB SER 17 -3.535 5.386 0.638 124 HG SER 17 HG SER 17 -4.765 3.611 0.097 125 H GLY 18 H GLY 18 -7.266 4.454 0.045 126 1HA GLY 18 1HA GLY 18 -9.398 4.877 -1.145 127 2HA GLY 18 2HA GLY 18 -8.432 5.622 -2.409 128 H ARG 19 H ARG 19 -7.296 2.720 -0.840 129 HA ARG 19 HA ARG 19 -8.428 0.910 -2.758 130 1HB ARG 19 1HB ARG 19 -6.229 0.202 -3.703 131 2HB ARG 19 2HB ARG 19 -6.720 1.818 -4.188 132 1HG ARG 19 1HG ARG 19 -5.257 2.592 -2.194 133 2HG ARG 19 2HG ARG 19 -4.541 0.985 -2.324 134 1HD ARG 19 1HD ARG 19 -4.458 1.701 -4.900 135 2HD ARG 19 2HD ARG 19 -4.379 3.298 -4.163 136 HE ARG 19 HE ARG 19 -2.477 1.138 -3.516 137 1HH1 ARG 19 1HH1 ARG 19 -3.121 4.509 -4.268 138 2HH1 ARG 19 2HH1 ARG 19 -1.467 4.981 -4.097 139 1HH2 ARG 19 1HH2 ARG 19 -0.308 1.781 -3.297 140 2HH2 ARG 19 2HH2 ARG 19 0.127 3.440 -3.547 141 HA PRO 20 HA PRO 20 -7.597 -1.886 0.562 142 1HB PRO 20 1HB PRO 20 -7.596 -4.263 -0.737 143 2HB PRO 20 2HB PRO 20 -9.070 -3.329 -0.464 144 1HG PRO 20 1HG PRO 20 -7.375 -3.512 -2.925 145 2HG PRO 20 2HG PRO 20 -9.142 -3.532 -2.779 146 1HD PRO 20 1HD PRO 20 -7.749 -1.316 -3.496 147 2HD PRO 20 2HD PRO 20 -9.278 -1.243 -2.597 148 HA PRO 21 HA PRO 21 -3.276 -2.664 1.051 149 1HB PRO 21 1HB PRO 21 -4.030 -5.408 1.929 150 2HB PRO 21 2HB PRO 21 -3.020 -4.202 2.733 151 1HG PRO 21 1HG PRO 21 -5.533 -4.698 3.533 152 2HG PRO 21 2HG PRO 21 -4.829 -3.075 3.608 153 1HD PRO 21 1HD PRO 21 -6.854 -4.174 1.742 154 2HD PRO 21 2HD PRO 21 -6.618 -2.509 2.302 155 HA PRO 22 HA PRO 22 -2.153 -4.795 -2.684 156 1HB PRO 22 1HB PRO 22 0.546 -4.817 -2.324 157 2HB PRO 22 2HB PRO 22 -0.358 -3.388 -2.837 158 1HG PRO 22 1HG PRO 22 0.666 -4.110 -0.127 159 2HG PRO 22 2HG PRO 22 0.645 -2.532 -0.935 160 1HD PRO 22 1HD PRO 22 -1.160 -3.251 0.966 161 2HD PRO 22 2HD PRO 22 -1.541 -2.125 -0.348 162 H SER 23 H SER 23 -0.738 -5.837 0.383 163 HA SER 23 HA SER 23 -0.134 -8.473 -0.616 164 1HB SER 23 1HB SER 23 1.137 -7.139 1.223 165 2HB SER 23 2HB SER 23 -0.122 -7.743 2.299 166 HG SER 23 HG SER 23 0.601 -9.756 2.048 Start of MODEL 29 1 H ALA 1 H ALA 1 5.022 -7.233 -4.909 2 HA ALA 1 HA ALA 1 4.829 -9.275 -2.798 3 1HB ALA 1 1HB ALA 1 7.078 -8.957 -2.900 4 2HB ALA 1 2HB ALA 1 6.656 -7.584 -1.878 5 3HB ALA 1 3HB ALA 1 6.936 -7.347 -3.603 6 H LEU 2 H LEU 2 3.937 -8.624 -0.888 7 HA LEU 2 HA LEU 2 2.095 -6.462 -0.952 8 1HB LEU 2 1HB LEU 2 3.029 -8.310 1.229 9 2HB LEU 2 2HB LEU 2 1.893 -7.013 1.548 10 HG LEU 2 HG LEU 2 1.357 -9.091 -0.558 11 1HD1 LEU 2 1HD1 LEU 2 0.569 -9.210 2.349 12 2HD1 LEU 2 2HD1 LEU 2 1.751 -10.253 1.557 13 3HD1 LEU 2 3HD1 LEU 2 0.054 -10.324 1.081 14 1HD2 LEU 2 1HD2 LEU 2 0.009 -7.079 -0.669 15 2HD2 LEU 2 2HD2 LEU 2 -0.416 -7.242 1.034 16 3HD2 LEU 2 3HD2 LEU 2 -0.976 -8.440 -0.134 17 H GLN 3 H GLN 3 5.120 -6.972 0.867 18 HA GLN 3 HA GLN 3 5.130 -4.489 2.186 19 1HB GLN 3 1HB GLN 3 6.528 -6.529 2.731 20 2HB GLN 3 2HB GLN 3 7.582 -6.063 1.405 21 1HG GLN 3 1HG GLN 3 7.038 -3.921 3.325 22 2HG GLN 3 2HG GLN 3 7.897 -5.308 3.994 23 1HE2 GLN 3 1HE2 GLN 3 8.137 -2.477 2.145 24 2HE2 GLN 3 2HE2 GLN 3 9.784 -2.654 1.647 25 H GLU 4 H GLU 4 6.497 -5.474 -0.934 26 HA GLU 4 HA GLU 4 7.997 -3.188 -1.492 27 1HB GLU 4 1HB GLU 4 6.890 -5.430 -3.024 28 2HB GLU 4 2HB GLU 4 7.085 -3.959 -3.966 29 1HG GLU 4 1HG GLU 4 9.059 -5.266 -4.202 30 2HG GLU 4 2HG GLU 4 9.448 -3.858 -3.216 31 H LEU 5 H LEU 5 4.629 -3.916 -2.407 32 HA LEU 5 HA LEU 5 4.204 -1.298 -3.506 33 1HB LEU 5 1HB LEU 5 3.050 -3.535 -4.117 34 2HB LEU 5 2HB LEU 5 2.017 -3.198 -2.743 35 HG LEU 5 HG LEU 5 2.340 -1.091 -4.831 36 1HD1 LEU 5 1HD1 LEU 5 0.492 -3.457 -5.097 37 2HD1 LEU 5 2HD1 LEU 5 1.926 -3.165 -6.081 38 3HD1 LEU 5 3HD1 LEU 5 0.559 -2.052 -6.162 39 1HD2 LEU 5 1HD2 LEU 5 -0.319 -1.447 -3.977 40 2HD2 LEU 5 2HD2 LEU 5 0.792 -0.143 -3.554 41 3HD2 LEU 5 3HD2 LEU 5 0.696 -1.583 -2.540 42 H LEU 6 H LEU 6 3.845 -2.756 -0.374 43 HA LEU 6 HA LEU 6 1.887 -1.203 0.818 44 1HB LEU 6 1HB LEU 6 3.835 -3.017 1.636 45 2HB LEU 6 2HB LEU 6 4.100 -1.601 2.618 46 HG LEU 6 HG LEU 6 2.614 -3.304 3.665 47 1HD1 LEU 6 1HD1 LEU 6 0.810 -1.654 4.277 48 2HD1 LEU 6 2HD1 LEU 6 1.543 -0.551 3.113 49 3HD1 LEU 6 3HD1 LEU 6 2.470 -1.104 4.507 50 1HD2 LEU 6 1HD2 LEU 6 0.719 -2.510 1.455 51 2HD2 LEU 6 2HD2 LEU 6 0.303 -3.490 2.860 52 3HD2 LEU 6 3HD2 LEU 6 1.461 -4.094 1.676 53 H GLY 7 H GLY 7 5.347 -0.465 0.417 54 1HA GLY 7 1HA GLY 7 5.356 1.923 1.911 55 2HA GLY 7 2HA GLY 7 6.485 1.519 0.633 56 H GLN 8 H GLN 8 4.415 1.217 -1.385 57 HA GLN 8 HA GLN 8 4.184 4.002 -2.152 58 1HB GLN 8 1HB GLN 8 3.742 1.371 -3.439 59 2HB GLN 8 2HB GLN 8 2.691 2.665 -3.998 60 1HG GLN 8 1HG GLN 8 4.711 2.418 -5.368 61 2HG GLN 8 2HG GLN 8 4.589 4.007 -4.615 62 1HE2 GLN 8 1HE2 GLN 8 6.209 4.703 -3.346 63 2HE2 GLN 8 2HE2 GLN 8 7.591 3.760 -2.908 64 H TRP 9 H TRP 9 2.120 1.385 -1.112 65 HA TRP 9 HA TRP 9 -0.393 2.655 -1.300 66 1HB TRP 9 1HB TRP 9 0.016 0.210 -1.103 67 2HB TRP 9 2HB TRP 9 0.535 0.458 0.554 68 HD1 TRP 9 HD1 TRP 9 -2.622 1.779 -1.257 69 HE1 TRP 9 HE1 TRP 9 -4.669 1.091 0.153 70 HE3 TRP 9 HE3 TRP 9 -0.220 -0.844 2.370 71 HZ2 TRP 9 HZ2 TRP 9 -5.170 -0.376 2.526 72 HZ3 TRP 9 HZ3 TRP 9 -1.536 -1.853 4.188 73 HH2 TRP 9 HH2 TRP 9 -3.963 -1.611 4.258 74 H LEU 10 H LEU 10 2.053 2.413 1.208 75 HA LEU 10 HA LEU 10 0.536 3.675 3.267 76 1HB LEU 10 1HB LEU 10 2.457 2.164 3.678 77 2HB LEU 10 2HB LEU 10 3.530 3.386 3.023 78 HG LEU 10 HG LEU 10 2.735 4.926 4.861 79 1HD1 LEU 10 1HD1 LEU 10 0.670 3.822 5.444 80 2HD1 LEU 10 2HD1 LEU 10 1.746 3.837 6.841 81 3HD1 LEU 10 3HD1 LEU 10 1.544 2.359 5.898 82 1HD2 LEU 10 1HD2 LEU 10 4.200 3.960 6.523 83 2HD2 LEU 10 2HD2 LEU 10 4.888 3.728 4.915 84 3HD2 LEU 10 3HD2 LEU 10 4.097 2.383 5.739 85 H LYS 11 H LYS 11 2.813 4.829 0.827 86 HA LYS 11 HA LYS 11 3.324 7.388 1.762 87 1HB LYS 11 1HB LYS 11 3.317 6.079 -0.893 88 2HB LYS 11 2HB LYS 11 3.207 7.833 -0.910 89 1HG LYS 11 1HG LYS 11 5.275 8.075 0.192 90 2HG LYS 11 2HG LYS 11 5.326 6.367 0.631 91 1HD LYS 11 1HD LYS 11 5.978 5.706 -1.461 92 2HD LYS 11 2HD LYS 11 5.178 7.062 -2.257 93 1HE LYS 11 1HE LYS 11 7.383 7.652 -2.508 94 2HE LYS 11 2HE LYS 11 6.988 8.476 -1.000 95 1HZ LYS 11 1HZ LYS 11 7.955 6.622 0.219 96 2HZ LYS 11 2HZ LYS 11 9.088 7.306 -0.834 97 3HZ LYS 11 3HZ LYS 11 8.342 5.841 -1.232 98 H ASP 12 H ASP 12 0.567 6.191 -0.109 99 HA ASP 12 HA ASP 12 -0.697 8.752 -0.324 100 1HB ASP 12 1HB ASP 12 -0.999 6.685 -1.846 101 2HB ASP 12 2HB ASP 12 -2.115 6.109 -0.617 102 H GLY 13 H GLY 13 -0.996 5.959 1.816 103 1HA GLY 13 1HA GLY 13 -1.552 6.870 4.174 104 2HA GLY 13 2HA GLY 13 -3.044 7.366 3.391 105 H GLY 14 H GLY 14 -1.172 4.369 3.011 106 1HA GLY 14 1HA GLY 14 -1.886 2.189 2.976 107 2HA GLY 14 2HA GLY 14 -2.387 2.597 4.607 108 HA PRO 15 HA PRO 15 -6.261 0.895 2.970 109 1HB PRO 15 1HB PRO 15 -6.978 1.764 5.726 110 2HB PRO 15 2HB PRO 15 -7.343 0.255 4.901 111 1HG PRO 15 1HG PRO 15 -5.436 0.351 6.741 112 2HG PRO 15 2HG PRO 15 -5.200 -0.592 5.257 113 1HD PRO 15 1HD PRO 15 -4.069 2.073 6.002 114 2HD PRO 15 2HD PRO 15 -3.325 0.749 5.092 115 H SER 16 H SER 16 -6.007 3.898 4.880 116 HA SER 16 HA SER 16 -8.487 4.931 3.970 117 1HB SER 16 1HB SER 16 -7.978 6.887 5.202 118 2HB SER 16 2HB SER 16 -7.242 5.566 6.107 119 HG SER 16 HG SER 16 -5.254 6.170 5.376 120 H SER 17 H SER 17 -5.440 4.750 2.443 121 HA SER 17 HA SER 17 -5.186 7.079 0.995 122 1HB SER 17 1HB SER 17 -3.873 5.852 -0.572 123 2HB SER 17 2HB SER 17 -3.620 5.085 0.993 124 HG SER 17 HG SER 17 -4.089 3.696 -0.921 125 H GLY 18 H GLY 18 -7.286 4.313 0.318 126 1HA GLY 18 1HA GLY 18 -9.478 5.209 -0.707 127 2HA GLY 18 2HA GLY 18 -8.411 5.730 -2.004 128 H ARG 19 H ARG 19 -6.669 3.468 -1.926 129 HA ARG 19 HA ARG 19 -8.434 1.451 -3.133 130 1HB ARG 19 1HB ARG 19 -6.397 0.680 -4.321 131 2HB ARG 19 2HB ARG 19 -6.799 2.354 -4.678 132 1HG ARG 19 1HG ARG 19 -4.853 3.093 -3.894 133 2HG ARG 19 2HG ARG 19 -4.977 2.119 -2.430 134 1HD ARG 19 1HD ARG 19 -3.313 0.886 -3.251 135 2HD ARG 19 2HD ARG 19 -4.478 0.260 -4.416 136 HE ARG 19 HE ARG 19 -3.468 1.500 -6.059 137 1HH1 ARG 19 1HH1 ARG 19 -2.306 2.616 -2.947 138 2HH1 ARG 19 2HH1 ARG 19 -1.057 3.600 -3.630 139 1HH2 ARG 19 1HH2 ARG 19 -1.822 2.800 -6.949 140 2HH2 ARG 19 2HH2 ARG 19 -0.783 3.707 -5.900 141 HA PRO 20 HA PRO 20 -7.493 -1.481 0.043 142 1HB PRO 20 1HB PRO 20 -7.378 -3.600 -2.000 143 2HB PRO 20 2HB PRO 20 -8.516 -3.390 -0.666 144 1HG PRO 20 1HG PRO 20 -9.249 -3.001 -3.220 145 2HG PRO 20 2HG PRO 20 -9.913 -2.025 -1.897 146 1HD PRO 20 1HD PRO 20 -7.761 -1.337 -3.867 147 2HD PRO 20 2HD PRO 20 -9.096 -0.332 -3.258 148 HA PRO 21 HA PRO 21 -3.182 -2.413 0.244 149 1HB PRO 21 1HB PRO 21 -3.164 -5.035 1.126 150 2HB PRO 21 2HB PRO 21 -3.363 -3.620 2.163 151 1HG PRO 21 1HG PRO 21 -5.434 -5.462 1.047 152 2HG PRO 21 2HG PRO 21 -5.345 -4.713 2.652 153 1HD PRO 21 1HD PRO 21 -6.990 -3.777 0.749 154 2HD PRO 21 2HD PRO 21 -6.176 -2.688 1.891 155 HA PRO 22 HA PRO 22 -1.814 -4.378 -3.459 156 1HB PRO 22 1HB PRO 22 0.614 -5.376 -2.705 157 2HB PRO 22 2HB PRO 22 0.311 -3.661 -3.002 158 1HG PRO 22 1HG PRO 22 0.345 -5.150 -0.398 159 2HG PRO 22 2HG PRO 22 1.112 -3.602 -0.808 160 1HD PRO 22 1HD PRO 22 -1.198 -3.660 0.521 161 2HD PRO 22 2HD PRO 22 -0.898 -2.450 -0.740 162 H SER 23 H SER 23 -0.289 -6.538 -3.892 163 HA SER 23 HA SER 23 -1.905 -8.766 -2.867 164 1HB SER 23 1HB SER 23 -0.586 -8.374 -5.554 165 2HB SER 23 2HB SER 23 -1.226 -9.927 -5.019 166 HG SER 23 HG SER 23 -3.132 -9.243 -5.542 Start of MODEL 30 1 H ALA 1 H ALA 1 5.850 -6.637 -5.898 2 HA ALA 1 HA ALA 1 4.800 -8.148 -4.400 3 1HB ALA 1 1HB ALA 1 6.673 -8.476 -3.148 4 2HB ALA 1 2HB ALA 1 6.809 -6.775 -2.701 5 3HB ALA 1 3HB ALA 1 7.311 -7.308 -4.304 6 H LEU 2 H LEU 2 4.562 -8.413 -1.885 7 HA LEU 2 HA LEU 2 2.297 -6.920 -1.111 8 1HB LEU 2 1HB LEU 2 2.759 -9.224 -0.356 9 2HB LEU 2 2HB LEU 2 4.107 -8.638 0.596 10 HG LEU 2 HG LEU 2 1.924 -9.146 1.822 11 1HD1 LEU 2 1HD1 LEU 2 2.468 -7.667 3.477 12 2HD1 LEU 2 2HD1 LEU 2 2.745 -6.336 2.354 13 3HD1 LEU 2 3HD1 LEU 2 3.944 -7.619 2.513 14 1HD2 LEU 2 1HD2 LEU 2 1.141 -6.499 0.610 15 2HD2 LEU 2 2HD2 LEU 2 0.247 -7.390 1.841 16 3HD2 LEU 2 3HD2 LEU 2 0.421 -8.061 0.220 17 H GLN 3 H GLN 3 5.593 -6.944 0.283 18 HA GLN 3 HA GLN 3 5.062 -4.634 1.897 19 1HB GLN 3 1HB GLN 3 7.144 -6.613 1.672 20 2HB GLN 3 2HB GLN 3 7.848 -5.003 1.724 21 1HG GLN 3 1HG GLN 3 5.902 -6.116 3.734 22 2HG GLN 3 2HG GLN 3 7.649 -6.021 3.944 23 1HE2 GLN 3 1HE2 GLN 3 4.661 -4.310 4.013 24 2HE2 GLN 3 2HE2 GLN 3 5.290 -2.800 4.575 25 H GLU 4 H GLU 4 6.740 -5.237 -1.160 26 HA GLU 4 HA GLU 4 7.993 -2.763 -1.473 27 1HB GLU 4 1HB GLU 4 7.095 -4.915 -3.319 28 2HB GLU 4 2HB GLU 4 7.477 -3.355 -4.032 29 1HG GLU 4 1HG GLU 4 9.420 -4.734 -4.129 30 2HG GLU 4 2HG GLU 4 9.702 -3.457 -2.947 31 H LEU 5 H LEU 5 4.754 -3.798 -2.535 32 HA LEU 5 HA LEU 5 4.064 -1.223 -3.574 33 1HB LEU 5 1HB LEU 5 3.101 -3.572 -4.159 34 2HB LEU 5 2HB LEU 5 2.042 -3.290 -2.791 35 HG LEU 5 HG LEU 5 2.246 -1.288 -5.021 36 1HD1 LEU 5 1HD1 LEU 5 1.736 -3.435 -6.060 37 2HD1 LEU 5 2HD1 LEU 5 0.338 -2.359 -6.095 38 3HD1 LEU 5 3HD1 LEU 5 0.409 -3.676 -4.923 39 1HD2 LEU 5 1HD2 LEU 5 0.781 -0.201 -3.759 40 2HD2 LEU 5 2HD2 LEU 5 0.775 -1.517 -2.583 41 3HD2 LEU 5 3HD2 LEU 5 -0.348 -1.544 -3.942 42 H LEU 6 H LEU 6 3.741 -2.823 -0.476 43 HA LEU 6 HA LEU 6 1.745 -1.312 0.731 44 1HB LEU 6 1HB LEU 6 3.448 -3.267 1.515 45 2HB LEU 6 2HB LEU 6 4.046 -1.920 2.446 46 HG LEU 6 HG LEU 6 2.460 -3.222 3.749 47 1HD1 LEU 6 1HD1 LEU 6 1.305 -0.564 2.921 48 2HD1 LEU 6 2HD1 LEU 6 2.566 -0.813 4.128 49 3HD1 LEU 6 3HD1 LEU 6 0.942 -1.438 4.409 50 1HD2 LEU 6 1HD2 LEU 6 1.169 -4.121 1.848 51 2HD2 LEU 6 2HD2 LEU 6 0.426 -2.536 1.634 52 3HD2 LEU 6 3HD2 LEU 6 0.144 -3.449 3.116 53 H GLY 7 H GLY 7 5.243 -0.645 0.541 54 1HA GLY 7 1HA GLY 7 5.215 1.707 2.090 55 2HA GLY 7 2HA GLY 7 6.412 1.305 0.875 56 H GLN 8 H GLN 8 4.407 1.090 -1.252 57 HA GLN 8 HA GLN 8 4.331 3.887 -2.003 58 1HB GLN 8 1HB GLN 8 4.725 1.962 -3.614 59 2HB GLN 8 2HB GLN 8 3.023 1.560 -3.431 60 1HG GLN 8 1HG GLN 8 3.078 2.809 -5.377 61 2HG GLN 8 2HG GLN 8 2.581 3.980 -4.158 62 1HE2 GLN 8 1HE2 GLN 8 4.011 5.602 -3.532 63 2HE2 GLN 8 2HE2 GLN 8 5.426 5.985 -4.451 64 H TRP 9 H TRP 9 2.101 1.365 -1.074 65 HA TRP 9 HA TRP 9 -0.334 2.775 -1.311 66 1HB TRP 9 1HB TRP 9 -0.066 0.307 -1.183 67 2HB TRP 9 2HB TRP 9 0.415 0.471 0.498 68 HD1 TRP 9 HD1 TRP 9 -2.609 2.001 -1.378 69 HE1 TRP 9 HE1 TRP 9 -4.734 1.390 -0.048 70 HE3 TRP 9 HE3 TRP 9 -0.462 -0.822 2.264 71 HZ2 TRP 9 HZ2 TRP 9 -5.386 -0.100 2.274 72 HZ3 TRP 9 HZ3 TRP 9 -1.886 -1.797 4.016 73 HH2 TRP 9 HH2 TRP 9 -4.300 -1.433 4.015 74 H LEU 10 H LEU 10 1.992 2.306 1.281 75 HA LEU 10 HA LEU 10 0.483 3.580 3.329 76 1HB LEU 10 1HB LEU 10 2.361 1.974 3.698 77 2HB LEU 10 2HB LEU 10 3.475 3.224 3.175 78 HG LEU 10 HG LEU 10 2.650 4.644 5.077 79 1HD1 LEU 10 1HD1 LEU 10 0.517 3.636 5.498 80 2HD1 LEU 10 2HD1 LEU 10 1.525 3.425 6.930 81 3HD1 LEU 10 3HD1 LEU 10 1.268 2.073 5.826 82 1HD2 LEU 10 1HD2 LEU 10 3.959 3.476 6.761 83 2HD2 LEU 10 2HD2 LEU 10 4.748 3.381 5.186 84 3HD2 LEU 10 3HD2 LEU 10 3.871 1.987 5.819 85 H LYS 11 H LYS 11 2.781 4.724 0.923 86 HA LYS 11 HA LYS 11 3.383 7.240 1.961 87 1HB LYS 11 1HB LYS 11 4.364 6.098 -0.103 88 2HB LYS 11 2HB LYS 11 2.959 6.690 -0.976 89 1HG LYS 11 1HG LYS 11 3.962 8.920 0.355 90 2HG LYS 11 2HG LYS 11 5.383 8.063 -0.243 91 1HD LYS 11 1HD LYS 11 3.085 8.404 -2.098 92 2HD LYS 11 2HD LYS 11 4.065 9.825 -1.731 93 1HE LYS 11 1HE LYS 11 5.440 7.287 -2.469 94 2HE LYS 11 2HE LYS 11 4.662 8.227 -3.741 95 1HZ LYS 11 1HZ LYS 11 5.988 10.138 -3.096 96 2HZ LYS 11 2HZ LYS 11 6.989 8.829 -3.477 97 3HZ LYS 11 3HZ LYS 11 6.724 9.246 -1.860 98 H ASP 12 H ASP 12 0.638 6.168 -0.004 99 HA ASP 12 HA ASP 12 -0.562 8.760 -0.185 100 1HB ASP 12 1HB ASP 12 -0.891 6.652 -1.706 101 2HB ASP 12 2HB ASP 12 -2.099 6.200 -0.522 102 H GLY 13 H GLY 13 -0.797 6.026 2.005 103 1HA GLY 13 1HA GLY 13 -1.410 6.823 4.336 104 2HA GLY 13 2HA GLY 13 -2.861 7.448 3.568 105 H GLY 14 H GLY 14 -1.201 4.356 3.026 106 1HA GLY 14 1HA GLY 14 -2.026 2.228 2.924 107 2HA GLY 14 2HA GLY 14 -2.558 2.605 4.553 108 HA PRO 15 HA PRO 15 -6.465 1.182 2.742 109 1HB PRO 15 1HB PRO 15 -7.215 2.018 5.500 110 2HB PRO 15 2HB PRO 15 -7.643 0.555 4.622 111 1HG PRO 15 1HG PRO 15 -5.791 0.489 6.520 112 2HG PRO 15 2HG PRO 15 -5.563 -0.426 5.016 113 1HD PRO 15 1HD PRO 15 -4.302 2.146 5.873 114 2HD PRO 15 2HD PRO 15 -3.610 0.808 4.944 115 H SER 16 H SER 16 -5.996 4.131 4.660 116 HA SER 16 HA SER 16 -8.416 5.361 3.927 117 1HB SER 16 1HB SER 16 -5.828 6.609 4.879 118 2HB SER 16 2HB SER 16 -7.375 7.448 4.780 119 HG SER 16 HG SER 16 -6.494 5.541 6.592 120 H SER 17 H SER 17 -5.375 5.095 2.249 121 HA SER 17 HA SER 17 -5.332 7.309 0.613 122 1HB SER 17 1HB SER 17 -4.687 4.535 -0.395 123 2HB SER 17 2HB SER 17 -3.987 6.064 -0.909 124 HG SER 17 HG SER 17 -2.897 4.556 0.762 125 H GLY 18 H GLY 18 -7.249 4.354 0.204 126 1HA GLY 18 1HA GLY 18 -9.528 5.112 -0.804 127 2HA GLY 18 2HA GLY 18 -8.514 5.501 -2.186 128 H ARG 19 H ARG 19 -6.783 3.412 -2.298 129 HA ARG 19 HA ARG 19 -8.545 1.243 -3.131 130 1HB ARG 19 1HB ARG 19 -6.571 0.364 -4.296 131 2HB ARG 19 2HB ARG 19 -6.880 2.038 -4.733 132 1HG ARG 19 1HG ARG 19 -4.917 2.737 -3.923 133 2HG ARG 19 2HG ARG 19 -5.041 1.728 -2.481 134 1HD ARG 19 1HD ARG 19 -3.280 0.698 -3.490 135 2HD ARG 19 2HD ARG 19 -4.598 -0.200 -4.244 136 HE ARG 19 HE ARG 19 -4.151 1.927 -5.911 137 1HH1 ARG 19 1HH1 ARG 19 -2.191 -0.690 -4.657 138 2HH1 ARG 19 2HH1 ARG 19 -1.152 -0.737 -6.042 139 1HH2 ARG 19 1HH2 ARG 19 -2.782 1.857 -7.732 140 2HH2 ARG 19 2HH2 ARG 19 -1.488 0.707 -7.788 141 HA PRO 20 HA PRO 20 -7.570 -1.472 0.216 142 1HB PRO 20 1HB PRO 20 -7.411 -3.744 -1.635 143 2HB PRO 20 2HB PRO 20 -8.602 -3.410 -0.377 144 1HG PRO 20 1HG PRO 20 -9.204 -3.251 -2.998 145 2HG PRO 20 2HG PRO 20 -9.949 -2.188 -1.789 146 1HD PRO 20 1HD PRO 20 -7.709 -1.616 -3.697 147 2HD PRO 20 2HD PRO 20 -9.085 -0.591 -3.235 148 HA PRO 21 HA PRO 21 -3.267 -2.442 0.506 149 1HB PRO 21 1HB PRO 21 -3.234 -4.994 1.533 150 2HB PRO 21 2HB PRO 21 -3.530 -3.541 2.493 151 1HG PRO 21 1HG PRO 21 -5.491 -5.487 1.344 152 2HG PRO 21 2HG PRO 21 -5.487 -4.708 2.937 153 1HD PRO 21 1HD PRO 21 -7.079 -3.849 0.954 154 2HD PRO 21 2HD PRO 21 -6.337 -2.718 2.105 155 HA PRO 22 HA PRO 22 -2.041 -4.676 -3.116 156 1HB PRO 22 1HB PRO 22 0.576 -5.124 -2.585 157 2HB PRO 22 2HB PRO 22 -0.059 -3.520 -2.965 158 1HG PRO 22 1HG PRO 22 0.590 -4.717 -0.301 159 2HG PRO 22 2HG PRO 22 0.935 -3.087 -0.909 160 1HD PRO 22 1HD PRO 22 -1.149 -3.637 0.746 161 2HD PRO 22 2HD PRO 22 -1.189 -2.333 -0.457 162 H SER 23 H SER 23 -3.508 -6.457 -2.174 163 HA SER 23 HA SER 23 -2.261 -8.701 -0.916 164 1HB SER 23 1HB SER 23 -4.937 -8.466 -2.317 165 2HB SER 23 2HB SER 23 -4.419 -9.847 -1.352 166 HG SER 23 HG SER 23 -5.146 -7.272 -0.541
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