NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
525574 | 2lkw | 18014 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 HT1 GLY 1 -15.001 -10.129 -3.633 2 H2 ACE 0 HT2 GLY 1 -14.955 -8.562 -3.949 3 H3 ACE 0 HT3 GLY 1 -14.122 -9.585 -4.854 4 H GLY 1 HN GLY 1 -17.230 -8.355 -4.197 5 HA2 GLY 1 HA2 GLY 1 -17.874 -8.915 -6.968 6 HA3 GLY 1 HA1 GLY 1 -18.629 -10.019 -5.823 7 H GLN 2 HN GLN 2 -18.928 -8.052 -3.718 8 HA GLN 2 HA GLN 2 -20.973 -6.286 -4.924 9 HB2 GLN 2 HB2 GLN 2 -21.173 -7.605 -2.208 10 HB3 GLN 2 HB1 GLN 2 -22.426 -6.684 -3.054 11 HG2 GLN 2 HG2 GLN 2 -21.743 -8.618 -4.905 12 HG3 GLN 2 HG1 GLN 2 -21.631 -9.491 -3.378 13 HE21 GLN 2 HE21 GLN 2 -23.587 -10.107 -2.385 14 HE22 GLN 2 HE22 GLN 2 -25.119 -9.618 -2.927 15 H ARG 3 HN ARG 3 -18.970 -6.820 -2.020 16 HA ARG 3 HA ARG 3 -17.497 -4.614 -1.836 17 HB2 ARG 3 HB2 ARG 3 -19.052 -2.937 -2.200 18 HB3 ARG 3 HB1 ARG 3 -20.358 -3.842 -1.426 19 HG2 ARG 3 HG2 ARG 3 -18.026 -2.958 0.249 20 HG3 ARG 3 HG1 ARG 3 -19.245 -1.764 -0.199 21 HD2 ARG 3 HD2 ARG 3 -20.386 -4.308 0.727 22 HD3 ARG 3 HD1 ARG 3 -19.425 -3.484 1.952 23 HE ARG 3 HE ARG 3 -20.965 -1.686 1.901 24 HH11 ARG 3 HH11 ARG 3 -21.669 -4.183 -0.389 25 HH12 ARG 3 HH12 ARG 3 -23.284 -3.637 -0.698 26 HH21 ARG 3 HH21 ARG 3 -23.082 -0.963 1.500 27 HH22 ARG 3 HH22 ARG 3 -24.083 -1.813 0.372 28 H HIS 4 HN HIS 4 -16.477 -4.442 0.130 29 HA HIS 4 HA HIS 4 -17.710 -5.772 2.449 30 HB2 HIS 4 HB2 HIS 4 -14.989 -6.436 2.574 31 HB3 HIS 4 HB1 HIS 4 -16.335 -7.535 2.245 32 HD1 HIS 4 HD1 HIS 4 -14.623 -4.858 0.067 33 HD2 HIS 4 HD2 HIS 4 -15.676 -8.899 -0.052 34 HE1 HIS 4 HE1 HIS 4 -13.965 -5.709 -2.224 35 HE2 HIS 4 HE2 HIS 4 -14.597 -8.166 -2.312 36 H SER 5 HN SER 5 -15.672 -5.577 4.233 37 HA SER 5 HA SER 5 -15.761 -2.869 5.017 38 HB2 SER 5 HB2 SER 5 -14.515 -3.522 6.877 39 HB3 SER 5 HB1 SER 5 -15.299 -5.028 6.410 40 HG SER 5 HG SER 5 -12.710 -4.196 5.583 41 H ILE 6 HN ILE 6 -14.388 -1.188 4.749 42 HA ILE 6 HA ILE 6 -13.004 -0.470 2.716 43 HB ILE 6 HB ILE 6 -12.356 1.130 4.118 44 HG12 ILE 6 HG12 ILE 6 -10.472 -0.783 5.550 45 HG13 ILE 6 HG11 ILE 6 -10.090 -0.068 3.976 46 HG21 ILE 6 HG21 ILE 6 -13.962 0.388 5.683 47 HG22 ILE 6 HG22 ILE 6 -12.499 0.715 6.612 48 HG23 ILE 6 HG23 ILE 6 -12.940 -0.946 6.215 49 HD11 ILE 6 HD11 ILE 6 -9.299 1.139 6.162 50 HD12 ILE 6 HD12 ILE 6 -10.969 1.702 6.236 51 HD13 ILE 6 HD13 ILE 6 -9.967 2.095 4.838 52 H VAL 7 HN VAL 7 -11.829 -1.594 1.291 53 HA VAL 7 HA VAL 7 -9.958 -3.643 2.241 54 HB VAL 7 HB VAL 7 -9.779 -3.858 -0.415 55 HG11 VAL 7 HG11 VAL 7 -12.025 -4.820 1.375 56 HG12 VAL 7 HG12 VAL 7 -10.526 -5.665 0.993 57 HG13 VAL 7 HG13 VAL 7 -11.752 -5.439 -0.253 58 HG21 VAL 7 HG21 VAL 7 -11.964 -3.336 -1.440 59 HG22 VAL 7 HG22 VAL 7 -11.199 -1.872 -0.821 60 HG23 VAL 7 HG23 VAL 7 -12.511 -2.631 0.081 61 H GLN 8 HN GLN 8 -8.258 -2.388 3.031 62 HA GLN 8 HA GLN 8 -6.687 -1.000 0.930 63 HB2 GLN 8 HB2 GLN 8 -7.099 -0.098 3.807 64 HB3 GLN 8 HB1 GLN 8 -5.974 0.656 2.628 65 HG2 GLN 8 HG2 GLN 8 -8.866 0.289 1.882 66 HG3 GLN 8 HG1 GLN 8 -8.419 1.621 2.947 67 HE21 GLN 8 HE21 GLN 8 -5.787 2.107 1.754 68 HE22 GLN 8 HE22 GLN 8 -6.060 2.766 0.214 69 HA PRO 9 HA PRO 9 -4.249 -4.363 3.070 70 HB2 PRO 9 HB2 PRO 9 -3.321 -4.747 0.274 71 HB3 PRO 9 HB1 PRO 9 -3.932 -5.937 1.422 72 HG2 PRO 9 HG2 PRO 9 -5.385 -5.205 -0.650 73 HG3 PRO 9 HG1 PRO 9 -6.132 -5.510 0.930 74 HD2 PRO 9 HD2 PRO 9 -5.424 -2.891 -0.337 75 HD3 PRO 9 HD1 PRO 9 -6.915 -3.339 0.525 76 HA PRO 10 HA PRO 10 -0.762 -1.474 2.754 77 HB2 PRO 10 HB2 PRO 10 0.357 -1.952 5.118 78 HB3 PRO 10 HB1 PRO 10 -1.253 -1.200 5.042 79 HG2 PRO 10 HG2 PRO 10 -0.515 -4.044 5.572 80 HG3 PRO 10 HG1 PRO 10 -1.704 -3.017 6.405 81 HD2 PRO 10 HD2 PRO 10 -2.366 -4.842 4.390 82 HD3 PRO 10 HD1 PRO 10 -3.352 -3.430 4.835 83 H ALA 11 HN ALA 11 1.028 -1.922 1.553 84 HA ALA 11 HA ALA 11 2.176 -4.608 1.701 85 HB1 ALA 11 HB1 ALA 11 3.582 -3.192 -0.232 86 HB2 ALA 11 HB2 ALA 11 1.941 -2.558 -0.354 87 HB3 ALA 11 HB3 ALA 11 2.234 -4.289 -0.524 88 HA PRO 12 HA PRO 12 5.440 -2.830 4.201 89 HB2 PRO 12 HB2 PRO 12 6.911 -5.122 4.495 90 HB3 PRO 12 HB1 PRO 12 5.455 -4.775 5.442 91 HG2 PRO 12 HG2 PRO 12 5.852 -6.604 3.162 92 HG3 PRO 12 HG1 PRO 12 4.727 -6.712 4.525 93 HD2 PRO 12 HD2 PRO 12 4.062 -5.909 1.939 94 HD3 PRO 12 HD1 PRO 12 3.081 -5.619 3.390 95 HA PRO 13 HA PRO 13 8.253 -1.800 0.799 96 HB2 PRO 13 HB2 PRO 13 9.892 -0.965 3.167 97 HB3 PRO 13 HB1 PRO 13 9.574 -0.086 1.654 98 HG2 PRO 13 HG2 PRO 13 8.291 0.598 3.825 99 HG3 PRO 13 HG1 PRO 13 7.430 0.470 2.278 100 HD2 PRO 13 HD2 PRO 13 7.378 -1.424 4.610 101 HD3 PRO 13 HD1 PRO 13 6.069 -0.927 3.508 102 HA PRO 14 HA PRO 14 10.899 -5.434 1.463 103 HB2 PRO 14 HB2 PRO 14 11.518 -5.903 -1.129 104 HB3 PRO 14 HB1 PRO 14 9.927 -6.297 -0.450 105 HG2 PRO 14 HG2 PRO 14 10.732 -4.052 -2.204 106 HG3 PRO 14 HG1 PRO 14 9.198 -4.929 -2.118 107 HD2 PRO 14 HD2 PRO 14 9.723 -2.415 -0.973 108 HD3 PRO 14 HD1 PRO 14 8.333 -3.458 -0.604 109 H ASN 15 HN ASN 15 13.112 -5.752 1.616 110 HA ASN 15 HA ASN 15 14.794 -3.451 1.440 111 HB2 ASN 15 HB2 ASN 15 15.640 -6.332 1.801 112 HB3 ASN 15 HB1 ASN 15 16.538 -4.890 2.272 113 HD21 ASN 15 HD21 ASN 15 16.508 -4.967 4.544 114 HD22 ASN 15 HD22 ASN 15 15.094 -5.117 5.472 115 H ALA 16 HN ALA 16 16.657 -3.164 0.097 116 HA ALA 16 HA ALA 16 16.384 -4.484 -2.526 117 HB1 ALA 16 HB1 ALA 16 18.202 -2.228 -2.478 118 HB2 ALA 16 HB2 ALA 16 16.630 -1.783 -1.815 119 HB3 ALA 16 HB3 ALA 16 16.741 -2.464 -3.438 120 H PHE 17 HN PHE 17 18.355 -5.041 -3.687 121 HA PHE 17 HA PHE 17 20.155 -6.565 -2.156 122 HB2 PHE 17 HB2 PHE 17 21.202 -5.659 -4.739 123 HB3 PHE 17 HB1 PHE 17 20.877 -7.294 -4.165 124 HD1 PHE 17 HD1 PHE 17 18.348 -7.958 -3.955 125 HD2 PHE 17 HD2 PHE 17 19.804 -4.710 -6.355 126 HE1 PHE 17 HE1 PHE 17 16.268 -8.028 -5.284 127 HE2 PHE 17 HE2 PHE 17 17.735 -4.756 -7.701 128 HZ PHE 17 HZ PHE 17 15.935 -6.419 -7.173 129 H VAL 18 HN VAL 18 21.300 -5.526 -0.595 130 HA VAL 18 HA VAL 18 22.916 -4.201 0.357 131 HB VAL 18 HB VAL 18 23.894 -3.844 -2.483 132 HG11 VAL 18 HG11 VAL 18 25.352 -3.782 0.177 133 HG12 VAL 18 HG12 VAL 18 24.877 -2.350 -0.738 134 HG13 VAL 18 HG13 VAL 18 26.055 -3.476 -1.412 135 HG21 VAL 18 HG21 VAL 18 24.077 -6.116 -2.400 136 HG22 VAL 18 HG22 VAL 18 23.878 -6.163 -0.649 137 HG23 VAL 18 HG23 VAL 18 25.453 -5.787 -1.347 138 H GLU 19 HN GLU 19 21.270 -2.647 0.912 139 HA GLU 19 HA GLU 19 20.273 -0.570 -0.566 140 HB2 GLU 19 HB2 GLU 19 21.265 0.104 2.171 141 HB3 GLU 19 HB1 GLU 19 19.676 0.415 1.425 142 HG2 GLU 19 HG2 GLU 19 19.004 -1.324 2.748 143 HG3 GLU 19 HG1 GLU 19 19.686 -2.312 1.456 144 H ILE 20 HN ILE 20 23.252 -0.366 1.400 145 HA ILE 20 HA ILE 20 24.088 1.950 -0.211 146 HB ILE 20 HB ILE 20 25.982 1.616 1.769 147 HG12 ILE 20 HG12 ILE 20 23.235 0.845 2.821 148 HG13 ILE 20 HG11 ILE 20 24.684 -0.168 2.825 149 HG21 ILE 20 HG21 ILE 20 24.940 3.730 1.132 150 HG22 ILE 20 HG22 ILE 20 24.764 3.496 2.871 151 HG23 ILE 20 HG23 ILE 20 23.396 3.200 1.799 152 HD11 ILE 20 HD11 ILE 20 25.851 1.415 4.307 153 HD12 ILE 20 HD12 ILE 20 24.345 0.895 5.063 154 HD13 ILE 20 HD13 ILE 20 24.451 2.489 4.305 155 HN1 NH2 21 HT1 ILE 20 26.077 -0.603 1.355 156 HN2 NH2 21 HT2 ILE 20 26.969 -0.967 -0.043 Start of MODEL 2 1 H1 ACE 0 HT1 GLY 1 -13.936 8.450 5.605 2 H2 ACE 0 HT2 GLY 1 -12.715 8.945 6.513 3 H3 ACE 0 HT3 GLY 1 -14.109 9.731 6.548 4 H GLY 1 HN GLY 1 -14.875 9.500 8.605 5 HA2 GLY 1 HA2 GLY 1 -14.579 6.811 9.643 6 HA3 GLY 1 HA1 GLY 1 -15.271 8.188 10.494 7 H GLN 2 HN GLN 2 -16.816 8.269 7.657 8 HA GLN 2 HA GLN 2 -19.212 7.066 8.743 9 HB2 GLN 2 HB2 GLN 2 -18.799 8.214 5.974 10 HB3 GLN 2 HB1 GLN 2 -20.330 7.993 6.834 11 HG2 GLN 2 HG2 GLN 2 -18.150 9.686 8.034 12 HG3 GLN 2 HG1 GLN 2 -19.226 10.363 6.814 13 HE21 GLN 2 HE21 GLN 2 -20.510 11.718 8.160 14 HE22 GLN 2 HE22 GLN 2 -21.463 11.126 9.434 15 H ARG 3 HN ARG 3 -16.850 6.342 6.231 16 HA ARG 3 HA ARG 3 -16.838 3.681 6.181 17 HB2 ARG 3 HB2 ARG 3 -19.086 3.161 6.039 18 HB3 ARG 3 HB1 ARG 3 -19.467 4.611 5.102 19 HG2 ARG 3 HG2 ARG 3 -17.702 2.506 3.877 20 HG3 ARG 3 HG1 ARG 3 -19.444 2.231 3.930 21 HD2 ARG 3 HD2 ARG 3 -19.841 3.769 2.320 22 HD3 ARG 3 HD1 ARG 3 -18.746 4.938 3.052 23 HE ARG 3 HE ARG 3 -16.997 3.227 1.974 24 HH11 ARG 3 HH21 ARG 3 -19.935 4.584 0.749 25 HH12 ARG 3 HH22 ARG 3 -19.419 4.559 -0.904 26 HH21 ARG 3 HH11 ARG 3 -16.313 3.191 -0.191 27 HH22 ARG 3 HH12 ARG 3 -17.368 3.770 -1.437 28 H HIS 4 HN HIS 4 -15.662 2.875 4.475 29 HA HIS 4 HA HIS 4 -15.503 4.350 1.972 30 HB2 HIS 4 HB2 HIS 4 -13.805 5.191 3.901 31 HB3 HIS 4 HB1 HIS 4 -12.845 3.881 3.201 32 HD1 HIS 4 HD1 HIS 4 -15.139 6.519 1.584 33 HD2 HIS 4 HD2 HIS 4 -11.243 5.040 1.286 34 HE1 HIS 4 HE1 HIS 4 -14.049 7.740 -0.345 35 HE2 HIS 4 HE2 HIS 4 -11.679 6.853 -0.540 36 H SER 5 HN SER 5 -13.149 3.227 1.013 37 HA SER 5 HA SER 5 -14.041 0.534 0.459 38 HB2 SER 5 HB2 SER 5 -12.315 0.489 -1.191 39 HB3 SER 5 HB1 SER 5 -13.003 2.109 -1.237 40 HG SER 5 HG SER 5 -10.502 1.473 -0.884 41 H ILE 6 HN ILE 6 -13.604 0.532 3.088 42 HA ILE 6 HA ILE 6 -11.526 0.204 4.535 43 HB ILE 6 HB ILE 6 -12.860 -1.120 5.716 44 HG12 ILE 6 HG12 ILE 6 -12.700 -3.273 3.565 45 HG13 ILE 6 HG11 ILE 6 -11.471 -3.041 4.818 46 HG21 ILE 6 HG21 ILE 6 -14.346 -1.367 3.108 47 HG22 ILE 6 HG22 ILE 6 -14.666 -0.252 4.437 48 HG23 ILE 6 HG23 ILE 6 -14.969 -1.976 4.641 49 HD11 ILE 6 HD11 ILE 6 -12.821 -4.620 5.842 50 HD12 ILE 6 HD12 ILE 6 -14.291 -4.006 5.087 51 HD13 ILE 6 HD13 ILE 6 -13.561 -3.133 6.435 52 H VAL 7 HN VAL 7 -12.113 -2.147 1.918 53 HA VAL 7 HA VAL 7 -9.919 -3.779 2.182 54 HB VAL 7 HB VAL 7 -10.078 -3.411 -0.561 55 HG11 VAL 7 HG11 VAL 7 -11.692 -5.364 -0.401 56 HG12 VAL 7 HG12 VAL 7 -11.666 -5.146 1.349 57 HG13 VAL 7 HG13 VAL 7 -10.185 -5.572 0.491 58 HG21 VAL 7 HG21 VAL 7 -12.357 -2.982 -1.117 59 HG22 VAL 7 HG22 VAL 7 -11.913 -1.711 0.021 60 HG23 VAL 7 HG23 VAL 7 -12.867 -3.090 0.568 61 H GLN 8 HN GLN 8 -8.255 -2.400 3.072 62 HA GLN 8 HA GLN 8 -6.710 -1.025 0.943 63 HB2 GLN 8 HB2 GLN 8 -7.073 -0.115 3.824 64 HB3 GLN 8 HB1 GLN 8 -5.981 0.643 2.616 65 HG2 GLN 8 HG2 GLN 8 -8.886 0.253 1.938 66 HG3 GLN 8 HG1 GLN 8 -8.426 1.591 2.989 67 HE21 GLN 8 HE21 GLN 8 -8.822 0.748 -0.256 68 HE22 GLN 8 HE22 GLN 8 -7.868 1.969 -0.951 69 HA PRO 9 HA PRO 9 -4.243 -4.390 3.041 70 HB2 PRO 9 HB2 PRO 9 -3.321 -4.715 0.233 71 HB3 PRO 9 HB1 PRO 9 -3.902 -5.933 1.366 72 HG2 PRO 9 HG2 PRO 9 -5.387 -5.196 -0.678 73 HG3 PRO 9 HG1 PRO 9 -6.115 -5.528 0.907 74 HD2 PRO 9 HD2 PRO 9 -5.454 -2.887 -0.340 75 HD3 PRO 9 HD1 PRO 9 -6.928 -3.363 0.535 76 HA PRO 10 HA PRO 10 -0.776 -1.471 2.777 77 HB2 PRO 10 HB2 PRO 10 0.346 -1.985 5.132 78 HB3 PRO 10 HB1 PRO 10 -1.268 -1.242 5.070 79 HG2 PRO 10 HG2 PRO 10 -0.512 -4.091 5.549 80 HG3 PRO 10 HG1 PRO 10 -1.707 -3.086 6.400 81 HD2 PRO 10 HD2 PRO 10 -2.359 -4.878 4.355 82 HD3 PRO 10 HD1 PRO 10 -3.353 -3.479 4.824 83 H ALA 11 HN ALA 11 1.018 -1.885 1.571 84 HA ALA 11 HA ALA 11 2.179 -4.567 1.664 85 HB1 ALA 11 HB1 ALA 11 1.688 -2.781 -0.420 86 HB2 ALA 11 HB2 ALA 11 2.632 -4.268 -0.516 87 HB3 ALA 11 HB3 ALA 11 3.437 -2.730 -0.202 88 HA PRO 12 HA PRO 12 5.435 -2.818 4.200 89 HB2 PRO 12 HB2 PRO 12 6.891 -5.117 4.492 90 HB3 PRO 12 HB1 PRO 12 5.425 -4.773 5.425 91 HG2 PRO 12 HG2 PRO 12 5.841 -6.583 3.134 92 HG3 PRO 12 HG1 PRO 12 4.705 -6.703 4.485 93 HD2 PRO 12 HD2 PRO 12 4.064 -5.871 1.901 94 HD3 PRO 12 HD1 PRO 12 3.069 -5.599 3.346 95 HA PRO 13 HA PRO 13 8.272 -1.781 0.823 96 HB2 PRO 13 HB2 PRO 13 9.909 -0.982 3.204 97 HB3 PRO 13 HB1 PRO 13 9.605 -0.087 1.700 98 HG2 PRO 13 HG2 PRO 13 8.318 0.589 3.870 99 HG3 PRO 13 HG1 PRO 13 7.464 0.482 2.318 100 HD2 PRO 13 HD2 PRO 13 7.382 -1.433 4.631 101 HD3 PRO 13 HD1 PRO 13 6.084 -0.914 3.527 102 HA PRO 14 HA PRO 14 10.878 -5.448 1.461 103 HB2 PRO 14 HB2 PRO 14 11.513 -5.891 -1.132 104 HB3 PRO 14 HB1 PRO 14 9.915 -6.280 -0.469 105 HG2 PRO 14 HG2 PRO 14 10.749 -4.022 -2.191 106 HG3 PRO 14 HG1 PRO 14 9.206 -4.887 -2.124 107 HD2 PRO 14 HD2 PRO 14 9.745 -2.390 -0.947 108 HD3 PRO 14 HD1 PRO 14 8.345 -3.426 -0.598 109 H ASN 15 HN ASN 15 13.040 -5.653 1.833 110 HA ASN 15 HA ASN 15 14.761 -3.436 1.692 111 HB2 ASN 15 HB2 ASN 15 16.343 -4.795 2.681 112 HB3 ASN 15 HB1 ASN 15 14.874 -5.685 3.078 113 HD21 ASN 15 HD21 ASN 15 14.256 -7.096 0.826 114 HD22 ASN 15 HD22 ASN 15 15.543 -8.096 0.351 115 H ALA 16 HN ALA 16 16.754 -3.216 0.450 116 HA ALA 16 HA ALA 16 16.591 -4.471 -2.223 117 HB1 ALA 16 HB1 ALA 16 16.805 -2.461 -3.286 118 HB2 ALA 16 HB2 ALA 16 17.781 -1.762 -1.994 119 HB3 ALA 16 HB3 ALA 16 16.030 -1.870 -1.816 120 H PHE 17 HN PHE 17 18.105 -6.015 -1.181 121 HA PHE 17 HA PHE 17 20.648 -5.294 -0.227 122 HB2 PHE 17 HB2 PHE 17 20.954 -7.769 -1.503 123 HB3 PHE 17 HB1 PHE 17 20.557 -7.496 0.193 124 HD1 PHE 17 HD2 PHE 17 18.662 -7.038 -3.014 125 HD2 PHE 17 HD1 PHE 17 18.804 -8.871 0.866 126 HE1 PHE 17 HE2 PHE 17 16.415 -7.987 -3.397 127 HE2 PHE 17 HE1 PHE 17 16.558 -9.834 0.510 128 HZ PHE 17 HZ PHE 17 15.335 -9.401 -1.633 129 H VAL 18 HN VAL 18 21.294 -3.588 -1.685 130 HA VAL 18 HA VAL 18 22.522 -4.648 -4.155 131 HB VAL 18 HB VAL 18 21.565 -1.811 -3.995 132 HG11 VAL 18 HG11 VAL 18 21.370 -3.475 -6.439 133 HG12 VAL 18 HG12 VAL 18 23.006 -3.183 -5.848 134 HG13 VAL 18 HG13 VAL 18 21.956 -1.823 -6.246 135 HG21 VAL 18 HG21 VAL 18 19.915 -4.272 -4.155 136 HG22 VAL 18 HG22 VAL 18 19.560 -3.038 -5.364 137 HG23 VAL 18 HG23 VAL 18 19.462 -2.645 -3.648 138 H GLU 19 HN GLU 19 24.405 -4.902 -2.743 139 HA GLU 19 HA GLU 19 25.753 -2.335 -2.160 140 HB2 GLU 19 HB2 GLU 19 27.193 -3.733 -0.622 141 HB3 GLU 19 HB1 GLU 19 25.484 -3.602 -0.137 142 HG2 GLU 19 HG2 GLU 19 25.332 -5.846 -0.179 143 HG3 GLU 19 HG1 GLU 19 25.675 -5.821 -1.908 144 H ILE 20 HN ILE 20 28.165 -2.433 -2.372 145 HA ILE 20 HA ILE 20 29.005 -4.207 -4.579 146 HB ILE 20 HB ILE 20 30.290 -2.280 -5.512 147 HG12 ILE 20 HG12 ILE 20 28.725 -0.805 -3.369 148 HG13 ILE 20 HG11 ILE 20 30.481 -0.878 -3.558 149 HG21 ILE 20 HG21 ILE 20 28.371 -1.235 -6.575 150 HG22 ILE 20 HG22 ILE 20 27.315 -1.752 -5.260 151 HG23 ILE 20 HG23 ILE 20 28.020 -2.949 -6.347 152 HD11 ILE 20 HD11 ILE 20 28.577 0.396 -5.572 153 HD12 ILE 20 HD12 ILE 20 30.330 0.292 -5.734 154 HD13 ILE 20 HD13 ILE 20 29.626 1.278 -4.453 155 HN1 NH2 21 HT1 ILE 20 29.520 -4.121 -1.539 156 HN2 NH2 21 HT2 ILE 20 31.213 -4.116 -1.421 Start of MODEL 3 1 H1 ACE 0 HT1 GLY 1 -18.365 -5.204 -7.484 2 H2 ACE 0 HT2 GLY 1 -17.305 -5.606 -6.354 3 H3 ACE 0 HT3 GLY 1 -16.798 -5.015 -7.752 4 H GLY 1 HN GLY 1 -19.205 -3.989 -5.465 5 HA2 GLY 1 HA2 GLY 1 -17.568 -1.844 -4.541 6 HA3 GLY 1 HA1 GLY 1 -18.512 -1.339 -5.940 7 H GLN 2 HN GLN 2 -19.624 -3.709 -3.603 8 HA GLN 2 HA GLN 2 -21.960 -2.066 -3.044 9 HB2 GLN 2 HB2 GLN 2 -21.166 -4.908 -2.532 10 HB3 GLN 2 HB1 GLN 2 -22.454 -4.185 -1.556 11 HG2 GLN 2 HG2 GLN 2 -22.446 -4.011 -4.574 12 HG3 GLN 2 HG1 GLN 2 -23.173 -5.372 -3.721 13 HE21 GLN 2 HE21 GLN 2 -24.243 -3.926 -1.466 14 HE22 GLN 2 HE22 GLN 2 -25.480 -2.915 -2.038 15 H ARG 3 HN ARG 3 -19.441 -3.718 -1.124 16 HA ARG 3 HA ARG 3 -18.557 -1.844 0.546 17 HB2 ARG 3 HB2 ARG 3 -20.529 -0.869 1.280 18 HB3 ARG 3 HB1 ARG 3 -21.423 -2.394 1.217 19 HG2 ARG 3 HG2 ARG 3 -19.152 -2.160 3.165 20 HG3 ARG 3 HG1 ARG 3 -20.664 -1.335 3.548 21 HD2 ARG 3 HD2 ARG 3 -21.795 -3.284 3.882 22 HD3 ARG 3 HD1 ARG 3 -20.965 -4.109 2.567 23 HE ARG 3 HE ARG 3 -19.421 -4.894 4.111 24 HH11 ARG 3 HH21 ARG 3 -21.220 -2.233 5.398 25 HH12 ARG 3 HH22 ARG 3 -20.570 -2.387 6.996 26 HH21 ARG 3 HH11 ARG 3 -18.562 -5.102 6.204 27 HH22 ARG 3 HH12 ARG 3 -19.065 -4.011 7.452 28 H HIS 4 HN HIS 4 -17.331 -2.691 2.194 29 HA HIS 4 HA HIS 4 -17.863 -5.167 3.486 30 HB2 HIS 4 HB2 HIS 4 -15.580 -6.078 2.315 31 HB3 HIS 4 HB1 HIS 4 -17.207 -6.530 1.793 32 HD1 HIS 4 HD1 HIS 4 -15.114 -3.357 1.174 33 HD2 HIS 4 HD2 HIS 4 -17.236 -6.265 -0.946 34 HE1 HIS 4 HE1 HIS 4 -15.004 -2.696 -1.266 35 HE2 HIS 4 HE2 HIS 4 -16.290 -4.453 -2.569 36 H SER 5 HN SER 5 -15.503 -6.018 4.329 37 HA SER 5 HA SER 5 -14.641 -4.096 6.172 38 HB2 SER 5 HB2 SER 5 -13.595 -5.883 7.030 39 HB3 SER 5 HB1 SER 5 -14.101 -6.810 5.620 40 HG SER 5 HG SER 5 -11.753 -6.625 6.081 41 H ILE 6 HN ILE 6 -13.493 -2.314 5.879 42 HA ILE 6 HA ILE 6 -12.550 -1.014 3.882 43 HB ILE 6 HB ILE 6 -11.545 0.130 5.501 44 HG12 ILE 6 HG12 ILE 6 -9.487 -2.078 5.890 45 HG13 ILE 6 HG11 ILE 6 -9.417 -0.938 4.537 46 HG21 ILE 6 HG21 ILE 6 -12.811 -1.058 7.103 47 HG22 ILE 6 HG22 ILE 6 -11.171 -0.982 7.746 48 HG23 ILE 6 HG23 ILE 6 -11.759 -2.469 7.002 49 HD11 ILE 6 HD11 ILE 6 -9.852 0.388 7.108 50 HD12 ILE 6 HD12 ILE 6 -8.662 0.732 5.853 51 HD13 ILE 6 HD13 ILE 6 -8.341 -0.519 7.054 52 H VAL 7 HN VAL 7 -11.768 -1.669 1.975 53 HA VAL 7 HA VAL 7 -9.885 -3.899 1.840 54 HB VAL 7 HB VAL 7 -10.178 -3.209 -0.724 55 HG11 VAL 7 HG11 VAL 7 -12.138 -4.758 -0.771 56 HG12 VAL 7 HG12 VAL 7 -12.233 -4.645 0.986 57 HG13 VAL 7 HG13 VAL 7 -10.816 -5.368 0.224 58 HG21 VAL 7 HG21 VAL 7 -12.743 -2.249 0.583 59 HG22 VAL 7 HG22 VAL 7 -12.377 -2.267 -1.143 60 HG23 VAL 7 HG23 VAL 7 -11.506 -1.173 -0.068 61 H GLN 8 HN GLN 8 -8.264 -2.497 3.000 62 HA GLN 8 HA GLN 8 -6.698 -0.978 0.990 63 HB2 GLN 8 HB2 GLN 8 -7.125 -0.206 3.904 64 HB3 GLN 8 HB1 GLN 8 -6.053 0.636 2.733 65 HG2 GLN 8 HG2 GLN 8 -9.043 0.242 2.346 66 HG3 GLN 8 HG1 GLN 8 -8.315 1.711 2.991 67 HE21 GLN 8 HE21 GLN 8 -5.933 1.549 1.208 68 HE22 GLN 8 HE22 GLN 8 -6.486 1.962 -0.343 69 HA PRO 9 HA PRO 9 -4.238 -4.378 3.049 70 HB2 PRO 9 HB2 PRO 9 -3.311 -4.716 0.250 71 HB3 PRO 9 HB1 PRO 9 -3.927 -5.924 1.376 72 HG2 PRO 9 HG2 PRO 9 -5.369 -5.152 -0.692 73 HG3 PRO 9 HG1 PRO 9 -6.124 -5.491 0.878 74 HD2 PRO 9 HD2 PRO 9 -5.412 -2.844 -0.328 75 HD3 PRO 9 HD1 PRO 9 -6.909 -3.313 0.512 76 HA PRO 10 HA PRO 10 -0.770 -1.463 2.769 77 HB2 PRO 10 HB2 PRO 10 0.358 -1.972 5.122 78 HB3 PRO 10 HB1 PRO 10 -1.257 -1.227 5.062 79 HG2 PRO 10 HG2 PRO 10 -0.500 -4.076 5.547 80 HG3 PRO 10 HG1 PRO 10 -1.693 -3.069 6.397 81 HD2 PRO 10 HD2 PRO 10 -2.348 -4.866 4.356 82 HD3 PRO 10 HD1 PRO 10 -3.342 -3.468 4.827 83 H ALA 11 HN ALA 11 1.019 -1.882 1.558 84 HA ALA 11 HA ALA 11 2.181 -4.565 1.659 85 HB1 ALA 11 HB1 ALA 11 1.823 -3.922 -0.570 86 HB2 ALA 11 HB2 ALA 11 3.540 -3.604 -0.324 87 HB3 ALA 11 HB3 ALA 11 2.381 -2.275 -0.280 88 HA PRO 12 HA PRO 12 5.444 -2.794 4.173 89 HB2 PRO 12 HB2 PRO 12 6.894 -5.091 4.494 90 HB3 PRO 12 HB1 PRO 12 5.428 -4.735 5.422 91 HG2 PRO 12 HG2 PRO 12 5.844 -6.572 3.152 92 HG3 PRO 12 HG1 PRO 12 4.705 -6.675 4.503 93 HD2 PRO 12 HD2 PRO 12 4.073 -5.869 1.906 94 HD3 PRO 12 HD1 PRO 12 3.073 -5.584 3.345 95 HA PRO 13 HA PRO 13 8.280 -1.811 0.778 96 HB2 PRO 13 HB2 PRO 13 9.918 -0.975 3.146 97 HB3 PRO 13 HB1 PRO 13 9.614 -0.103 1.627 98 HG2 PRO 13 HG2 PRO 13 8.329 0.607 3.787 99 HG3 PRO 13 HG1 PRO 13 7.473 0.476 2.237 100 HD2 PRO 13 HD2 PRO 13 7.394 -1.403 4.581 101 HD3 PRO 13 HD1 PRO 13 6.094 -0.899 3.472 102 HA PRO 14 HA PRO 14 10.884 -5.468 1.479 103 HB2 PRO 14 HB2 PRO 14 11.518 -5.958 -1.106 104 HB3 PRO 14 HB1 PRO 14 9.918 -6.333 -0.437 105 HG2 PRO 14 HG2 PRO 14 10.755 -4.105 -2.196 106 HG3 PRO 14 HG1 PRO 14 9.211 -4.968 -2.116 107 HD2 PRO 14 HD2 PRO 14 9.751 -2.452 -0.981 108 HD3 PRO 14 HD1 PRO 14 8.351 -3.481 -0.615 109 H ASN 15 HN ASN 15 13.119 -5.896 1.495 110 HA ASN 15 HA ASN 15 14.842 -3.650 1.553 111 HB2 ASN 15 HB2 ASN 15 16.509 -5.136 2.227 112 HB3 ASN 15 HB1 ASN 15 15.041 -5.965 2.740 113 HD21 ASN 15 HD21 ASN 15 15.066 -8.138 2.178 114 HD22 ASN 15 HD22 ASN 15 15.816 -8.781 0.797 115 H ALA 16 HN ALA 16 16.721 -3.251 0.214 116 HA ALA 16 HA ALA 16 16.499 -4.330 -2.526 117 HB1 ALA 16 HB1 ALA 16 15.864 -1.717 -1.779 118 HB2 ALA 16 HB2 ALA 16 16.173 -2.294 -3.416 119 HB3 ALA 16 HB3 ALA 16 17.485 -1.601 -2.463 120 H PHE 17 HN PHE 17 18.327 -4.353 0.096 121 HA PHE 17 HA PHE 17 20.861 -4.204 -1.426 122 HB2 PHE 17 HB2 PHE 17 20.471 -3.637 1.522 123 HB3 PHE 17 HB1 PHE 17 21.984 -3.521 0.625 124 HD1 PHE 17 HD1 PHE 17 18.618 -2.051 1.071 125 HD2 PHE 17 HD2 PHE 17 22.446 -1.657 -0.833 126 HE1 PHE 17 HE1 PHE 17 18.041 0.262 0.425 127 HE2 PHE 17 HE2 PHE 17 21.897 0.658 -1.494 128 HZ PHE 17 HZ PHE 17 19.680 1.646 -0.869 129 H VAL 18 HN VAL 18 20.901 -6.389 -1.953 130 HA VAL 18 HA VAL 18 21.486 -8.178 0.310 131 HB VAL 18 HB VAL 18 19.802 -9.097 -2.014 132 HG11 VAL 18 HG11 VAL 18 19.134 -10.745 -0.118 133 HG12 VAL 18 HG12 VAL 18 20.572 -10.145 0.706 134 HG13 VAL 18 HG13 VAL 18 20.721 -10.937 -0.863 135 HG21 VAL 18 HG21 VAL 18 17.882 -8.894 -0.344 136 HG22 VAL 18 HG22 VAL 18 18.475 -7.370 -1.007 137 HG23 VAL 18 HG23 VAL 18 18.946 -7.868 0.619 138 H GLU 19 HN GLU 19 23.689 -7.835 -0.361 139 HA GLU 19 HA GLU 19 24.731 -8.271 -2.906 140 HB2 GLU 19 HB2 GLU 19 26.850 -8.923 -1.672 141 HB3 GLU 19 HB1 GLU 19 26.149 -7.352 -1.210 142 HG2 GLU 19 HG2 GLU 19 25.914 -8.051 0.917 143 HG3 GLU 19 HG1 GLU 19 24.954 -9.432 0.388 144 H ILE 20 HN ILE 20 23.234 -10.042 -3.572 145 HA ILE 20 HA ILE 20 22.901 -12.228 -4.193 146 HB ILE 20 HB ILE 20 25.645 -12.831 -3.100 147 HG12 ILE 20 HG12 ILE 20 24.865 -11.413 -5.672 148 HG13 ILE 20 HG11 ILE 20 25.898 -10.790 -4.379 149 HG21 ILE 20 HG21 ILE 20 23.736 -14.360 -4.413 150 HG22 ILE 20 HG22 ILE 20 25.457 -14.731 -4.315 151 HG23 ILE 20 HG23 ILE 20 24.821 -13.864 -5.713 152 HD11 ILE 20 HD11 ILE 20 27.307 -11.619 -6.248 153 HD12 ILE 20 HD12 ILE 20 26.559 -13.216 -6.105 154 HD13 ILE 20 HD13 ILE 20 27.554 -12.586 -4.793 155 HN1 NH2 21 HT1 ILE 20 22.093 -14.177 -3.221 156 HN2 NH2 21 HT2 ILE 20 22.116 -14.427 -1.542 Start of MODEL 4 1 H1 ACE 0 HT1 GLY 1 -13.175 11.949 6.316 2 H2 ACE 0 HT2 GLY 1 -12.776 10.808 5.267 3 H3 ACE 0 HT3 GLY 1 -11.728 11.960 5.633 4 H GLY 1 HN GLY 1 -13.414 9.269 6.981 5 HA2 GLY 1 HA2 GLY 1 -11.062 8.585 8.357 6 HA3 GLY 1 HA1 GLY 1 -12.134 9.393 9.497 7 H GLN 2 HN GLN 2 -13.285 7.447 6.816 8 HA GLN 2 HA GLN 2 -14.044 5.308 8.705 9 HB2 GLN 2 HB2 GLN 2 -15.833 6.354 6.501 10 HB3 GLN 2 HB1 GLN 2 -16.243 5.170 7.752 11 HG2 GLN 2 HG2 GLN 2 -15.775 6.959 9.472 12 HG3 GLN 2 HG1 GLN 2 -15.628 8.111 8.146 13 HE21 GLN 2 HE21 GLN 2 -17.957 5.397 8.319 14 HE22 GLN 2 HE22 GLN 2 -19.339 6.382 8.335 15 H ARG 3 HN ARG 3 -11.924 5.704 6.576 16 HA ARG 3 HA ARG 3 -11.195 4.668 4.592 17 HB2 ARG 3 HB2 ARG 3 -10.860 2.214 5.057 18 HB3 ARG 3 HB1 ARG 3 -10.263 3.284 6.331 19 HG2 ARG 3 HG2 ARG 3 -13.072 2.178 6.448 20 HG3 ARG 3 HG1 ARG 3 -11.711 1.210 7.015 21 HD2 ARG 3 HD2 ARG 3 -11.552 3.936 8.017 22 HD3 ARG 3 HD1 ARG 3 -13.076 3.178 8.468 23 HE ARG 3 HE ARG 3 -11.366 1.249 9.145 24 HH11 ARG 3 HH21 ARG 3 -11.203 4.680 9.566 25 HH12 ARG 3 HH22 ARG 3 -10.263 4.595 11.019 26 HH21 ARG 3 HH11 ARG 3 -10.133 1.130 11.048 27 HH22 ARG 3 HH12 ARG 3 -9.657 2.586 11.857 28 H HIS 4 HN HIS 4 -13.432 5.419 3.661 29 HA HIS 4 HA HIS 4 -15.662 4.032 3.213 30 HB2 HIS 4 HB2 HIS 4 -14.760 4.634 0.585 31 HB3 HIS 4 HB1 HIS 4 -15.865 5.570 1.597 32 HD1 HIS 4 HD1 HIS 4 -12.062 4.991 1.812 33 HD2 HIS 4 HD2 HIS 4 -14.833 8.118 1.715 34 HE1 HIS 4 HE1 HIS 4 -10.741 7.135 2.059 35 HE2 HIS 4 HE2 HIS 4 -12.411 9.046 2.002 36 H SER 5 HN SER 5 -12.787 3.402 1.183 37 HA SER 5 HA SER 5 -13.875 0.807 0.425 38 HB2 SER 5 HB2 SER 5 -12.282 0.785 -1.270 39 HB3 SER 5 HB1 SER 5 -12.578 2.512 -1.082 40 HG SER 5 HG SER 5 -10.488 0.992 0.105 41 H ILE 6 HN ILE 6 -13.551 0.633 3.038 42 HA ILE 6 HA ILE 6 -11.554 0.159 4.559 43 HB ILE 6 HB ILE 6 -12.996 -1.166 5.605 44 HG12 ILE 6 HG12 ILE 6 -12.789 -3.229 3.373 45 HG13 ILE 6 HG11 ILE 6 -11.613 -3.086 4.689 46 HG21 ILE 6 HG21 ILE 6 -14.345 -1.246 2.915 47 HG22 ILE 6 HG22 ILE 6 -14.707 -0.190 4.280 48 HG23 ILE 6 HG23 ILE 6 -15.066 -1.912 4.379 49 HD11 ILE 6 HD11 ILE 6 -13.037 -4.645 5.616 50 HD12 ILE 6 HD12 ILE 6 -14.451 -4.012 4.775 51 HD13 ILE 6 HD13 ILE 6 -13.812 -3.167 6.185 52 H VAL 7 HN VAL 7 -12.092 -2.008 1.781 53 HA VAL 7 HA VAL 7 -9.925 -3.707 2.088 54 HB VAL 7 HB VAL 7 -10.024 -3.395 -0.629 55 HG11 VAL 7 HG11 VAL 7 -11.961 -5.137 -0.385 56 HG12 VAL 7 HG12 VAL 7 -11.654 -4.978 1.345 57 HG13 VAL 7 HG13 VAL 7 -10.372 -5.533 0.269 58 HG21 VAL 7 HG21 VAL 7 -12.847 -2.882 0.301 59 HG22 VAL 7 HG22 VAL 7 -12.173 -2.718 -1.321 60 HG23 VAL 7 HG23 VAL 7 -11.769 -1.537 -0.074 61 H GLN 8 HN GLN 8 -8.254 -2.359 3.005 62 HA GLN 8 HA GLN 8 -6.675 -0.984 0.903 63 HB2 GLN 8 HB2 GLN 8 -7.104 -0.053 3.768 64 HB3 GLN 8 HB1 GLN 8 -5.964 0.684 2.591 65 HG2 GLN 8 HG2 GLN 8 -8.881 0.333 1.894 66 HG3 GLN 8 HG1 GLN 8 -8.357 1.715 2.855 67 HE21 GLN 8 HE21 GLN 8 -6.245 2.811 1.802 68 HE22 GLN 8 HE22 GLN 8 -6.340 3.049 0.124 69 HA PRO 9 HA PRO 9 -4.262 -4.330 3.102 70 HB2 PRO 9 HB2 PRO 9 -3.342 -4.783 0.315 71 HB3 PRO 9 HB1 PRO 9 -3.965 -5.941 1.489 72 HG2 PRO 9 HG2 PRO 9 -5.409 -5.236 -0.601 73 HG3 PRO 9 HG1 PRO 9 -6.160 -5.504 0.985 74 HD2 PRO 9 HD2 PRO 9 -5.428 -2.917 -0.332 75 HD3 PRO 9 HD1 PRO 9 -6.922 -3.334 0.537 76 HA PRO 10 HA PRO 10 -0.750 -1.479 2.713 77 HB2 PRO 10 HB2 PRO 10 0.360 -1.902 5.090 78 HB3 PRO 10 HB1 PRO 10 -1.246 -1.143 4.992 79 HG2 PRO 10 HG2 PRO 10 -0.524 -3.977 5.598 80 HG3 PRO 10 HG1 PRO 10 -1.708 -2.921 6.401 81 HD2 PRO 10 HD2 PRO 10 -2.378 -4.793 4.431 82 HD3 PRO 10 HD1 PRO 10 -3.357 -3.366 4.843 83 H ALA 11 HN ALA 11 1.040 -1.973 1.531 84 HA ALA 11 HA ALA 11 2.166 -4.663 1.750 85 HB1 ALA 11 HB1 ALA 11 3.598 -3.351 -0.214 86 HB2 ALA 11 HB2 ALA 11 1.993 -2.635 -0.349 87 HB3 ALA 11 HB3 ALA 11 2.194 -4.382 -0.487 88 HA PRO 12 HA PRO 12 5.443 -2.876 4.217 89 HB2 PRO 12 HB2 PRO 12 6.941 -5.153 4.488 90 HB3 PRO 12 HB1 PRO 12 5.488 -4.825 5.447 91 HG2 PRO 12 HG2 PRO 12 5.885 -6.638 3.155 92 HG3 PRO 12 HG1 PRO 12 4.774 -6.766 4.526 93 HD2 PRO 12 HD2 PRO 12 4.075 -5.958 1.952 94 HD3 PRO 12 HD1 PRO 12 3.107 -5.680 3.414 95 HA PRO 13 HA PRO 13 8.227 -1.801 0.806 96 HB2 PRO 13 HB2 PRO 13 9.863 -0.942 3.167 97 HB3 PRO 13 HB1 PRO 13 9.525 -0.067 1.658 98 HG2 PRO 13 HG2 PRO 13 8.241 0.596 3.834 99 HG3 PRO 13 HG1 PRO 13 7.376 0.456 2.290 100 HD2 PRO 13 HD2 PRO 13 7.362 -1.443 4.619 101 HD3 PRO 13 HD1 PRO 13 6.040 -0.962 3.526 102 HA PRO 14 HA PRO 14 10.928 -5.396 1.458 103 HB2 PRO 14 HB2 PRO 14 11.553 -5.849 -1.136 104 HB3 PRO 14 HB1 PRO 14 9.970 -6.271 -0.455 105 HG2 PRO 14 HG2 PRO 14 10.732 -4.012 -2.208 106 HG3 PRO 14 HG1 PRO 14 9.211 -4.913 -2.116 107 HD2 PRO 14 HD2 PRO 14 9.702 -2.392 -0.971 108 HD3 PRO 14 HD1 PRO 14 8.330 -3.455 -0.601 109 H ASN 15 HN ASN 15 13.117 -5.589 1.748 110 HA ASN 15 HA ASN 15 14.786 -3.361 1.712 111 HB2 ASN 15 HB2 ASN 15 15.440 -5.162 3.091 112 HB3 ASN 15 HB1 ASN 15 15.359 -6.318 1.763 113 HD21 ASN 15 HD21 ASN 15 16.948 -3.086 1.919 114 HD22 ASN 15 HD22 ASN 15 18.494 -3.670 1.529 115 H ALA 16 HN ALA 16 16.610 -2.828 0.374 116 HA ALA 16 HA ALA 16 16.649 -4.026 -2.307 117 HB1 ALA 16 HB1 ALA 16 15.869 -1.250 -1.612 118 HB2 ALA 16 HB2 ALA 16 15.383 -2.249 -2.983 119 HB3 ALA 16 HB3 ALA 16 16.952 -1.440 -2.991 120 H PHE 17 HN PHE 17 18.395 -3.861 0.181 121 HA PHE 17 HA PHE 17 20.801 -2.734 -1.123 122 HB2 PHE 17 HB2 PHE 17 19.781 -2.570 1.636 123 HB3 PHE 17 HB1 PHE 17 21.496 -2.958 1.506 124 HD1 PHE 17 HD2 PHE 17 19.200 -0.817 -0.545 125 HD2 PHE 17 HD1 PHE 17 22.771 -1.032 1.827 126 HE1 PHE 17 HE2 PHE 17 19.680 1.544 -1.083 127 HE2 PHE 17 HE1 PHE 17 23.278 1.328 1.305 128 HZ PHE 17 HZ PHE 17 21.736 2.646 -0.156 129 H VAL 18 HN VAL 18 21.565 -4.538 -2.158 130 HA VAL 18 HA VAL 18 22.583 -6.667 -0.414 131 HB VAL 18 HB VAL 18 21.224 -7.382 -3.003 132 HG11 VAL 18 HG11 VAL 18 21.283 -9.191 -0.664 133 HG12 VAL 18 HG12 VAL 18 22.866 -8.794 -1.335 134 HG13 VAL 18 HG13 VAL 18 21.632 -9.531 -2.359 135 HG21 VAL 18 HG21 VAL 18 19.281 -8.078 -1.521 136 HG22 VAL 18 HG22 VAL 18 19.475 -6.337 -1.718 137 HG23 VAL 18 HG23 VAL 18 20.017 -7.122 -0.234 138 H GLU 19 HN GLU 19 24.587 -5.537 -0.846 139 HA GLU 19 HA GLU 19 25.664 -6.143 -3.535 140 HB2 GLU 19 HB2 GLU 19 27.196 -4.187 -3.183 141 HB3 GLU 19 HB1 GLU 19 25.475 -3.743 -3.311 142 HG2 GLU 19 HG2 GLU 19 25.536 -2.816 -1.262 143 HG3 GLU 19 HG1 GLU 19 26.090 -4.337 -0.562 144 H ILE 20 HN ILE 20 26.165 -6.125 -0.071 145 HA ILE 20 HA ILE 20 28.229 -8.140 -0.329 146 HB ILE 20 HB ILE 20 29.385 -5.867 -0.541 147 HG12 ILE 20 HG12 ILE 20 30.067 -7.809 1.694 148 HG13 ILE 20 HG11 ILE 20 30.645 -7.855 0.024 149 HG21 ILE 20 HG21 ILE 20 29.555 -4.479 1.356 150 HG22 ILE 20 HG22 ILE 20 28.973 -5.740 2.442 151 HG23 ILE 20 HG23 ILE 20 27.852 -4.939 1.341 152 HD11 ILE 20 HD11 ILE 20 32.388 -6.863 1.498 153 HD12 ILE 20 HD12 ILE 20 31.246 -5.607 1.996 154 HD13 ILE 20 HD13 ILE 20 31.798 -5.688 0.322 155 HN1 NH2 21 HT1 ILE 20 28.001 -9.554 1.407 156 HN2 NH2 21 HT2 ILE 20 27.208 -9.178 2.860 Start of MODEL 5 1 H1 ACE 0 HT1 GLY 1 -10.567 -0.163 10.533 2 H2 ACE 0 HT2 GLY 1 -9.494 0.898 11.067 3 H3 ACE 0 HT3 GLY 1 -10.997 1.361 10.769 4 H GLY 1 HN GLY 1 -12.045 -1.134 11.915 5 HA2 GLY 1 HA2 GLY 1 -11.161 -0.770 14.681 6 HA3 GLY 1 HA1 GLY 1 -12.831 -0.333 14.332 7 H GLN 2 HN GLN 2 -13.147 -2.417 12.298 8 HA GLN 2 HA GLN 2 -13.364 -4.742 14.110 9 HB2 GLN 2 HB2 GLN 2 -15.018 -3.973 11.692 10 HB3 GLN 2 HB1 GLN 2 -15.204 -5.480 12.603 11 HG2 GLN 2 HG2 GLN 2 -15.175 -3.175 14.376 12 HG3 GLN 2 HG1 GLN 2 -16.444 -3.028 13.163 13 HE21 GLN 2 HE21 GLN 2 -15.121 -5.425 15.510 14 HE22 GLN 2 HE22 GLN 2 -16.621 -6.154 15.827 15 H ARG 3 HN ARG 3 -13.599 -4.534 10.579 16 HA ARG 3 HA ARG 3 -11.224 -5.309 9.615 17 HB2 ARG 3 HB2 ARG 3 -10.711 -7.087 11.017 18 HB3 ARG 3 HB1 ARG 3 -12.403 -7.571 11.184 19 HG2 ARG 3 HG2 ARG 3 -11.157 -7.753 8.463 20 HG3 ARG 3 HG1 ARG 3 -10.695 -8.962 9.662 21 HD2 ARG 3 HD2 ARG 3 -13.597 -8.390 9.483 22 HD3 ARG 3 HD1 ARG 3 -12.892 -9.186 8.079 23 HE ARG 3 HE ARG 3 -13.049 -10.279 10.801 24 HH11 ARG 3 HH11 ARG 3 -12.042 -10.529 7.501 25 HH12 ARG 3 HH12 ARG 3 -11.779 -12.240 7.566 26 HH21 ARG 3 HH21 ARG 3 -12.708 -12.524 10.894 27 HH22 ARG 3 HH22 ARG 3 -12.156 -13.369 9.487 28 H HIS 4 HN HIS 4 -14.594 -6.303 9.764 29 HA HIS 4 HA HIS 4 -15.915 -7.269 8.050 30 HB2 HIS 4 HB2 HIS 4 -15.149 -4.438 7.444 31 HB3 HIS 4 HB1 HIS 4 -16.160 -5.321 6.294 32 HD1 HIS 4 HD1 HIS 4 -16.168 -5.199 10.144 33 HD2 HIS 4 HD2 HIS 4 -18.766 -4.690 6.912 34 HE1 HIS 4 HE1 HIS 4 -18.460 -4.756 11.122 35 HE2 HIS 4 HE2 HIS 4 -20.052 -4.445 9.171 36 H SER 5 HN SER 5 -14.308 -5.333 5.687 37 HA SER 5 HA SER 5 -12.869 -7.653 4.599 38 HB2 SER 5 HB2 SER 5 -14.068 -7.791 2.675 39 HB3 SER 5 HB1 SER 5 -15.341 -7.053 3.644 40 HG SER 5 HG SER 5 -15.187 -5.375 2.405 41 H ILE 6 HN ILE 6 -11.719 -5.504 5.893 42 HA ILE 6 HA ILE 6 -10.911 -3.236 5.032 43 HB ILE 6 HB ILE 6 -9.176 -3.713 6.336 44 HG12 ILE 6 HG12 ILE 6 -8.036 -5.612 4.249 45 HG13 ILE 6 HG11 ILE 6 -7.919 -3.853 4.100 46 HG21 ILE 6 HG21 ILE 6 -9.922 -6.558 5.705 47 HG22 ILE 6 HG22 ILE 6 -10.313 -5.618 7.144 48 HG23 ILE 6 HG23 ILE 6 -8.654 -6.138 6.857 49 HD11 ILE 6 HD11 ILE 6 -6.991 -3.991 6.553 50 HD12 ILE 6 HD12 ILE 6 -5.928 -4.354 5.193 51 HD13 ILE 6 HD13 ILE 6 -6.652 -5.667 6.124 52 H VAL 7 HN VAL 7 -10.941 -2.333 3.068 53 HA VAL 7 HA VAL 7 -9.972 -3.875 0.759 54 HB VAL 7 HB VAL 7 -10.965 -1.681 -0.384 55 HG11 VAL 7 HG11 VAL 7 -12.151 -4.236 0.547 56 HG12 VAL 7 HG12 VAL 7 -12.051 -3.568 -1.082 57 HG13 VAL 7 HG13 VAL 7 -13.298 -3.002 0.028 58 HG21 VAL 7 HG21 VAL 7 -11.387 -0.893 2.115 59 HG22 VAL 7 HG22 VAL 7 -12.822 -1.907 1.961 60 HG23 VAL 7 HG23 VAL 7 -12.578 -0.553 0.858 61 H GLN 8 HN GLN 8 -8.280 -2.512 2.848 62 HA GLN 8 HA GLN 8 -6.649 -0.922 0.951 63 HB2 GLN 8 HB2 GLN 8 -7.219 -0.220 3.856 64 HB3 GLN 8 HB1 GLN 8 -6.078 0.644 2.771 65 HG2 GLN 8 HG2 GLN 8 -9.046 0.280 2.211 66 HG3 GLN 8 HG1 GLN 8 -8.342 1.731 2.923 67 HE21 GLN 8 HE21 GLN 8 -5.868 1.036 1.064 68 HE22 GLN 8 HE22 GLN 8 -6.337 1.713 -0.422 69 HA PRO 9 HA PRO 9 -4.256 -4.334 3.074 70 HB2 PRO 9 HB2 PRO 9 -3.286 -4.762 0.309 71 HB3 PRO 9 HB1 PRO 9 -3.979 -5.922 1.440 72 HG2 PRO 9 HG2 PRO 9 -5.323 -5.134 -0.697 73 HG3 PRO 9 HG1 PRO 9 -6.139 -5.446 0.848 74 HD2 PRO 9 HD2 PRO 9 -5.321 -2.823 -0.345 75 HD3 PRO 9 HD1 PRO 9 -6.858 -3.252 0.441 76 HA PRO 10 HA PRO 10 -0.752 -1.465 2.764 77 HB2 PRO 10 HB2 PRO 10 0.356 -1.946 5.131 78 HB3 PRO 10 HB1 PRO 10 -1.249 -1.186 5.051 79 HG2 PRO 10 HG2 PRO 10 -0.527 -4.034 5.586 80 HG3 PRO 10 HG1 PRO 10 -1.713 -2.999 6.414 81 HD2 PRO 10 HD2 PRO 10 -2.382 -4.821 4.400 82 HD3 PRO 10 HD1 PRO 10 -3.359 -3.403 4.840 83 H ALA 11 HN ALA 11 1.037 -1.925 1.568 84 HA ALA 11 HA ALA 11 2.173 -4.616 1.724 85 HB1 ALA 11 HB1 ALA 11 1.955 -2.568 -0.337 86 HB2 ALA 11 HB2 ALA 11 2.228 -4.303 -0.502 87 HB3 ALA 11 HB3 ALA 11 3.590 -3.219 -0.211 88 HA PRO 12 HA PRO 12 5.448 -2.854 4.218 89 HB2 PRO 12 HB2 PRO 12 6.926 -5.143 4.491 90 HB3 PRO 12 HB1 PRO 12 5.470 -4.808 5.443 91 HG2 PRO 12 HG2 PRO 12 5.868 -6.615 3.147 92 HG3 PRO 12 HG1 PRO 12 4.749 -6.741 4.511 93 HD2 PRO 12 HD2 PRO 12 4.070 -5.918 1.936 94 HD3 PRO 12 HD1 PRO 12 3.094 -5.644 3.393 95 HA PRO 13 HA PRO 13 8.248 -1.791 0.816 96 HB2 PRO 13 HB2 PRO 13 9.889 -0.961 3.184 97 HB3 PRO 13 HB1 PRO 13 9.563 -0.076 1.678 98 HG2 PRO 13 HG2 PRO 13 8.281 0.591 3.855 99 HG3 PRO 13 HG1 PRO 13 7.418 0.466 2.308 100 HD2 PRO 13 HD2 PRO 13 7.379 -1.441 4.630 101 HD3 PRO 13 HD1 PRO 13 6.066 -0.944 3.535 102 HA PRO 14 HA PRO 14 10.913 -5.416 1.455 103 HB2 PRO 14 HB2 PRO 14 11.531 -5.868 -1.141 104 HB3 PRO 14 HB1 PRO 14 9.942 -6.273 -0.462 105 HG2 PRO 14 HG2 PRO 14 10.735 -4.014 -2.204 106 HG3 PRO 14 HG1 PRO 14 9.205 -4.899 -2.121 107 HD2 PRO 14 HD2 PRO 14 9.720 -2.389 -0.962 108 HD3 PRO 14 HD1 PRO 14 8.335 -3.440 -0.598 109 H ASN 15 HN ASN 15 13.068 -5.538 1.864 110 HA ASN 15 HA ASN 15 14.745 -3.279 1.562 111 HB2 ASN 15 HB2 ASN 15 15.290 -4.704 3.351 112 HB3 ASN 15 HB1 ASN 15 15.231 -6.146 2.338 113 HD21 ASN 15 HD21 ASN 15 17.149 -3.169 2.914 114 HD22 ASN 15 HD22 ASN 15 18.597 -3.803 2.295 115 H ALA 16 HN ALA 16 16.882 -3.328 0.442 116 HA ALA 16 HA ALA 16 16.591 -4.558 -2.232 117 HB1 ALA 16 HB1 ALA 16 18.012 -2.023 -1.388 118 HB2 ALA 16 HB2 ALA 16 16.543 -2.139 -2.358 119 HB3 ALA 16 HB3 ALA 16 18.078 -2.711 -3.011 120 H PHE 17 HN PHE 17 17.586 -6.269 -0.451 121 HA PHE 17 HA PHE 17 19.511 -7.324 0.377 122 HB2 PHE 17 HB2 PHE 17 20.419 -7.143 -2.477 123 HB3 PHE 17 HB1 PHE 17 20.478 -8.519 -1.374 124 HD1 PHE 17 HD1 PHE 17 18.365 -9.720 -0.762 125 HD2 PHE 17 HD2 PHE 17 18.479 -6.695 -3.808 126 HE1 PHE 17 HE1 PHE 17 16.194 -10.523 -1.620 127 HE2 PHE 17 HE2 PHE 17 16.309 -7.477 -4.686 128 HZ PHE 17 HZ PHE 17 15.139 -9.409 -3.598 129 H VAL 18 HN VAL 18 20.535 -5.740 1.647 130 HA VAL 18 HA VAL 18 22.240 -4.334 2.276 131 HB VAL 18 HB VAL 18 23.518 -5.741 -0.073 132 HG11 VAL 18 HG11 VAL 18 25.667 -4.874 0.918 133 HG12 VAL 18 HG12 VAL 18 24.703 -3.806 1.938 134 HG13 VAL 18 HG13 VAL 18 24.662 -3.624 0.184 135 HG21 VAL 18 HG21 VAL 18 22.823 -6.875 2.196 136 HG22 VAL 18 HG22 VAL 18 24.229 -6.025 2.836 137 HG23 VAL 18 HG23 VAL 18 24.423 -7.191 1.527 138 H GLU 19 HN GLU 19 21.270 -2.351 1.913 139 HA GLU 19 HA GLU 19 21.673 -1.118 -0.735 140 HB2 GLU 19 HB2 GLU 19 19.981 0.501 -0.074 141 HB3 GLU 19 HB1 GLU 19 19.358 -1.147 0.195 142 HG2 GLU 19 HG2 GLU 19 20.584 0.658 2.312 143 HG3 GLU 19 HG1 GLU 19 18.866 0.297 2.136 144 H ILE 20 HN ILE 20 23.411 -1.425 1.924 145 HA ILE 20 HA ILE 20 25.101 -0.221 2.906 146 HB ILE 20 HB ILE 20 24.773 1.819 0.712 147 HG12 ILE 20 HG12 ILE 20 26.049 -0.937 0.587 148 HG13 ILE 20 HG11 ILE 20 24.705 -0.339 -0.394 149 HG21 ILE 20 HG21 ILE 20 26.934 2.408 1.220 150 HG22 ILE 20 HG22 ILE 20 27.388 0.763 1.666 151 HG23 ILE 20 HG23 ILE 20 26.478 1.764 2.798 152 HD11 ILE 20 HD11 ILE 20 26.162 1.399 -1.389 153 HD12 ILE 20 HD12 ILE 20 26.814 -0.209 -1.698 154 HD13 ILE 20 HD13 ILE 20 27.530 0.811 -0.442 155 HN1 NH2 21 HT1 ILE 20 22.412 1.882 1.788 156 HN2 NH2 21 HT2 ILE 20 22.377 2.831 3.194 Start of MODEL 6 1 H1 ACE 0 HT1 GLY 1 -14.916 4.537 12.050 2 H2 ACE 0 HT2 GLY 1 -13.497 4.893 12.698 3 H3 ACE 0 HT3 GLY 1 -13.608 3.730 11.603 4 H GLY 1 HN GLY 1 -12.422 6.609 11.916 5 HA2 GLY 1 HA2 GLY 1 -13.061 7.126 9.081 6 HA3 GLY 1 HA1 GLY 1 -13.203 8.436 10.249 7 H GLN 2 HN GLN 2 -10.735 5.950 10.429 8 HA GLN 2 HA GLN 2 -8.710 7.806 9.385 9 HB2 GLN 2 HB2 GLN 2 -8.509 6.447 12.085 10 HB3 GLN 2 HB1 GLN 2 -7.267 7.455 11.330 11 HG2 GLN 2 HG2 GLN 2 -8.987 9.321 11.252 12 HG3 GLN 2 HG1 GLN 2 -10.018 8.310 12.265 13 HE21 GLN 2 HE21 GLN 2 -9.214 7.791 14.469 14 HE22 GLN 2 HE22 GLN 2 -8.042 8.779 15.197 15 H ARG 3 HN ARG 3 -6.891 5.745 10.928 16 HA ARG 3 HA ARG 3 -5.457 4.163 9.933 17 HB2 ARG 3 HB2 ARG 3 -6.595 1.930 9.960 18 HB3 ARG 3 HB1 ARG 3 -6.834 2.860 11.443 19 HG2 ARG 3 HG2 ARG 3 -8.828 3.105 9.198 20 HG3 ARG 3 HG1 ARG 3 -8.905 1.710 10.275 21 HD2 ARG 3 HD2 ARG 3 -8.569 4.288 11.663 22 HD3 ARG 3 HD1 ARG 3 -10.087 4.135 10.782 23 HE ARG 3 HE ARG 3 -9.866 1.773 12.162 24 HH11 ARG 3 HH21 ARG 3 -9.757 5.140 12.951 25 HH12 ARG 3 HH22 ARG 3 -10.410 4.930 14.541 26 HH21 ARG 3 HH11 ARG 3 -10.723 1.489 14.246 27 HH22 ARG 3 HH12 ARG 3 -10.957 2.863 15.275 28 H HIS 4 HN HIS 4 -7.267 2.013 8.400 29 HA HIS 4 HA HIS 4 -7.093 3.360 5.774 30 HB2 HIS 4 HB2 HIS 4 -6.550 0.425 6.051 31 HB3 HIS 4 HB1 HIS 4 -6.011 1.549 4.797 32 HD1 HIS 4 HD1 HIS 4 -5.596 1.594 8.627 33 HD2 HIS 4 HD2 HIS 4 -3.298 1.854 5.146 34 HE1 HIS 4 HE1 HIS 4 -3.206 1.981 9.365 35 HE2 HIS 4 HE2 HIS 4 -1.796 2.142 7.262 36 H SER 5 HN SER 5 -8.371 2.154 4.077 37 HA SER 5 HA SER 5 -11.030 1.646 5.130 38 HB2 SER 5 HB2 SER 5 -11.669 2.459 3.142 39 HB3 SER 5 HB1 SER 5 -9.972 2.674 2.724 40 HG SER 5 HG SER 5 -10.234 0.220 2.315 41 H ILE 6 HN ILE 6 -11.833 -0.297 5.550 42 HA ILE 6 HA ILE 6 -10.880 -2.630 5.921 43 HB ILE 6 HB ILE 6 -13.012 -3.244 5.861 44 HG12 ILE 6 HG12 ILE 6 -13.069 -2.898 2.833 45 HG13 ILE 6 HG11 ILE 6 -12.451 -4.343 3.645 46 HG21 ILE 6 HG21 ILE 6 -13.568 -0.934 5.940 47 HG22 ILE 6 HG22 ILE 6 -14.688 -1.688 4.807 48 HG23 ILE 6 HG23 ILE 6 -13.324 -0.749 4.204 49 HD11 ILE 6 HD11 ILE 6 -14.750 -4.329 4.881 50 HD12 ILE 6 HD12 ILE 6 -14.678 -4.920 3.221 51 HD13 ILE 6 HD13 ILE 6 -15.265 -3.290 3.553 52 H VAL 7 HN VAL 7 -11.495 -1.651 2.539 53 HA VAL 7 HA VAL 7 -9.900 -3.908 1.583 54 HB VAL 7 HB VAL 7 -10.564 -2.696 -0.682 55 HG11 VAL 7 HG11 VAL 7 -12.977 -3.849 -0.115 56 HG12 VAL 7 HG12 VAL 7 -11.955 -4.575 1.126 57 HG13 VAL 7 HG13 VAL 7 -11.536 -4.754 -0.578 58 HG21 VAL 7 HG21 VAL 7 -12.283 -1.180 -0.573 59 HG22 VAL 7 HG22 VAL 7 -11.596 -0.864 1.020 60 HG23 VAL 7 HG23 VAL 7 -12.991 -1.931 0.858 61 H GLN 8 HN GLN 8 -8.247 -2.363 2.983 62 HA GLN 8 HA GLN 8 -6.657 -0.990 0.889 63 HB2 GLN 8 HB2 GLN 8 -7.385 -0.016 3.661 64 HB3 GLN 8 HB1 GLN 8 -5.895 0.548 2.830 65 HG2 GLN 8 HG2 GLN 8 -8.688 0.683 1.635 66 HG3 GLN 8 HG1 GLN 8 -7.886 2.032 2.438 67 HE21 GLN 8 HE21 GLN 8 -5.300 1.938 1.480 68 HE22 GLN 8 HE22 GLN 8 -5.284 2.081 -0.212 69 HA PRO 9 HA PRO 9 -4.258 -4.321 3.123 70 HB2 PRO 9 HB2 PRO 9 -3.332 -4.806 0.343 71 HB3 PRO 9 HB1 PRO 9 -3.964 -5.951 1.526 72 HG2 PRO 9 HG2 PRO 9 -5.397 -5.260 -0.577 73 HG3 PRO 9 HG1 PRO 9 -6.156 -5.510 1.009 74 HD2 PRO 9 HD2 PRO 9 -5.407 -2.938 -0.328 75 HD3 PRO 9 HD1 PRO 9 -6.909 -3.341 0.537 76 HA PRO 10 HA PRO 10 -0.745 -1.475 2.714 77 HB2 PRO 10 HB2 PRO 10 0.367 -1.885 5.093 78 HB3 PRO 10 HB1 PRO 10 -1.236 -1.123 4.993 79 HG2 PRO 10 HG2 PRO 10 -0.521 -3.956 5.614 80 HG3 PRO 10 HG1 PRO 10 -1.702 -2.893 6.412 81 HD2 PRO 10 HD2 PRO 10 -2.379 -4.775 4.458 82 HD3 PRO 10 HD1 PRO 10 -3.353 -3.341 4.858 83 H ALA 11 HN ALA 11 1.040 -1.976 1.531 84 HA ALA 11 HA ALA 11 2.166 -4.665 1.766 85 HB1 ALA 11 HB1 ALA 11 2.134 -4.378 -0.476 86 HB2 ALA 11 HB2 ALA 11 3.595 -3.424 -0.219 87 HB3 ALA 11 HB3 ALA 11 2.029 -2.623 -0.341 88 HA PRO 12 HA PRO 12 5.454 -2.861 4.206 89 HB2 PRO 12 HB2 PRO 12 6.948 -5.139 4.489 90 HB3 PRO 12 HB1 PRO 12 5.502 -4.800 5.453 91 HG2 PRO 12 HG2 PRO 12 5.883 -6.633 3.174 92 HG3 PRO 12 HG1 PRO 12 4.778 -6.746 4.553 93 HD2 PRO 12 HD2 PRO 12 4.068 -5.961 1.976 94 HD3 PRO 12 HD1 PRO 12 3.108 -5.666 3.441 95 HA PRO 13 HA PRO 13 8.223 -1.814 0.776 96 HB2 PRO 13 HB2 PRO 13 9.874 -0.952 3.124 97 HB3 PRO 13 HB1 PRO 13 9.534 -0.082 1.612 98 HG2 PRO 13 HG2 PRO 13 8.263 0.597 3.790 99 HG3 PRO 13 HG1 PRO 13 7.389 0.453 2.252 100 HD2 PRO 13 HD2 PRO 13 7.377 -1.432 4.591 101 HD3 PRO 13 HD1 PRO 13 6.054 -0.953 3.498 102 HA PRO 14 HA PRO 14 10.913 -5.417 1.428 103 HB2 PRO 14 HB2 PRO 14 11.519 -5.886 -1.167 104 HB3 PRO 14 HB1 PRO 14 9.938 -6.296 -0.476 105 HG2 PRO 14 HG2 PRO 14 10.703 -4.047 -2.241 106 HG3 PRO 14 HG1 PRO 14 9.179 -4.941 -2.141 107 HD2 PRO 14 HD2 PRO 14 9.683 -2.418 -1.006 108 HD3 PRO 14 HD1 PRO 14 8.310 -3.477 -0.624 109 H ASN 15 HN ASN 15 13.179 -5.883 1.212 110 HA ASN 15 HA ASN 15 14.873 -3.619 1.403 111 HB2 ASN 15 HB2 ASN 15 15.690 -6.489 0.905 112 HB3 ASN 15 HB1 ASN 15 16.680 -5.212 1.608 113 HD21 ASN 15 HD21 ASN 15 15.956 -4.355 3.772 114 HD22 ASN 15 HD22 ASN 15 15.069 -5.372 4.802 115 H ALA 16 HN ALA 16 16.583 -2.954 -0.005 116 HA ALA 16 HA ALA 16 16.229 -3.797 -2.819 117 HB1 ALA 16 HB1 ALA 16 16.174 -1.633 -3.548 118 HB2 ALA 16 HB2 ALA 16 17.228 -1.058 -2.256 119 HB3 ALA 16 HB3 ALA 16 15.520 -1.358 -1.934 120 H PHE 17 HN PHE 17 18.193 -4.255 -0.386 121 HA PHE 17 HA PHE 17 20.716 -3.461 -1.621 122 HB2 PHE 17 HB2 PHE 17 19.979 -4.782 0.988 123 HB3 PHE 17 HB1 PHE 17 21.652 -4.681 0.436 124 HD1 PHE 17 HD2 PHE 17 18.642 -2.441 0.654 125 HD2 PHE 17 HD1 PHE 17 22.881 -2.863 1.190 126 HE1 PHE 17 HE2 PHE 17 18.755 -0.110 1.462 127 HE2 PHE 17 HE1 PHE 17 23.026 -0.535 2.002 128 HZ PHE 17 HZ PHE 17 20.958 0.871 2.146 129 H VAL 18 HN VAL 18 20.314 -4.811 -3.546 130 HA VAL 18 HA VAL 18 21.448 -7.480 -3.144 131 HB VAL 18 HB VAL 18 18.911 -7.063 -4.740 132 HG11 VAL 18 HG11 VAL 18 20.625 -8.891 -5.363 133 HG12 VAL 18 HG12 VAL 18 18.959 -9.405 -5.098 134 HG13 VAL 18 HG13 VAL 18 20.170 -9.656 -3.840 135 HG21 VAL 18 HG21 VAL 18 18.441 -6.837 -2.348 136 HG22 VAL 18 HG22 VAL 18 19.362 -8.302 -2.005 137 HG23 VAL 18 HG23 VAL 18 17.854 -8.401 -2.915 138 H GLU 19 HN GLU 19 23.290 -6.505 -4.140 139 HA GLU 19 HA GLU 19 22.959 -5.859 -7.003 140 HB2 GLU 19 HB2 GLU 19 25.087 -4.689 -6.852 141 HB3 GLU 19 HB1 GLU 19 24.000 -4.109 -5.565 142 HG2 GLU 19 HG2 GLU 19 26.096 -6.274 -5.184 143 HG3 GLU 19 HG1 GLU 19 26.337 -4.580 -4.763 144 H ILE 20 HN ILE 20 25.151 -6.380 -8.211 145 HA ILE 20 HA ILE 20 26.342 -8.904 -7.377 146 HB ILE 20 HB ILE 20 24.300 -9.635 -8.533 147 HG12 ILE 20 HG12 ILE 20 26.904 -10.009 -10.052 148 HG13 ILE 20 HG11 ILE 20 26.252 -11.045 -8.776 149 HG21 ILE 20 HG21 ILE 20 23.656 -8.866 -10.616 150 HG22 ILE 20 HG22 ILE 20 25.309 -8.506 -11.111 151 HG23 ILE 20 HG23 ILE 20 24.461 -7.419 -10.011 152 HD11 ILE 20 HD11 ILE 20 24.916 -10.586 -11.480 153 HD12 ILE 20 HD12 ILE 20 24.296 -11.607 -10.181 154 HD13 ILE 20 HD13 ILE 20 25.790 -12.051 -11.006 155 HN1 NH2 21 HT1 ILE 20 26.253 -6.124 -9.541 156 HN2 NH2 21 HT2 ILE 20 27.838 -6.302 -10.121 Start of MODEL 7 1 H1 ACE 0 HT1 GLY 1 -20.179 10.196 7.746 2 H2 ACE 0 HT2 GLY 1 -21.059 9.446 6.641 3 H3 ACE 0 HT3 GLY 1 -19.499 9.118 6.779 4 H GLY 1 HN GLY 1 -18.710 7.924 8.593 5 HA2 GLY 1 HA2 GLY 1 -19.399 6.844 10.686 6 HA3 GLY 1 HA1 GLY 1 -21.010 6.689 9.994 7 H GLN 2 HN GLN 2 -18.769 6.140 7.596 8 HA GLN 2 HA GLN 2 -18.708 3.230 8.112 9 HB2 GLN 2 HB2 GLN 2 -19.802 4.722 5.798 10 HB3 GLN 2 HB1 GLN 2 -18.813 3.305 5.410 11 HG2 GLN 2 HG2 GLN 2 -21.029 3.202 7.464 12 HG3 GLN 2 HG1 GLN 2 -21.323 2.890 5.754 13 HE21 GLN 2 HE21 GLN 2 -21.738 0.612 5.979 14 HE22 GLN 2 HE22 GLN 2 -20.538 -0.486 6.467 15 H ARG 3 HN ARG 3 -17.474 5.504 5.652 16 HA ARG 3 HA ARG 3 -15.401 5.359 4.542 17 HB2 ARG 3 HB2 ARG 3 -13.608 6.179 6.101 18 HB3 ARG 3 HB1 ARG 3 -15.087 7.147 6.138 19 HG2 ARG 3 HG2 ARG 3 -14.730 4.849 8.063 20 HG3 ARG 3 HG1 ARG 3 -13.991 6.412 8.411 21 HD2 ARG 3 HD2 ARG 3 -16.749 6.715 7.530 22 HD3 ARG 3 HD1 ARG 3 -16.637 5.667 8.941 23 HE ARG 3 HE ARG 3 -15.944 8.504 8.822 24 HH11 ARG 3 HH11 ARG 3 -15.876 5.487 10.515 25 HH12 ARG 3 HH12 ARG 3 -15.600 6.206 12.067 26 HH21 ARG 3 HH21 ARG 3 -15.582 9.455 10.854 27 HH22 ARG 3 HH22 ARG 3 -15.433 8.452 12.258 28 H HIS 4 HN HIS 4 -13.219 4.663 6.825 29 HA HIS 4 HA HIS 4 -11.670 2.884 6.709 30 HB2 HIS 4 HB2 HIS 4 -12.691 2.515 8.807 31 HB3 HIS 4 HB1 HIS 4 -14.190 1.932 8.072 32 HD1 HIS 4 HD1 HIS 4 -10.517 0.874 7.592 33 HD2 HIS 4 HD2 HIS 4 -14.245 -0.789 8.479 34 HE1 HIS 4 HE1 HIS 4 -10.168 -1.626 7.773 35 HE2 HIS 4 HE2 HIS 4 -12.426 -2.653 8.312 36 H SER 5 HN SER 5 -11.849 2.778 4.284 37 HA SER 5 HA SER 5 -13.507 0.781 3.079 38 HB2 SER 5 HB2 SER 5 -11.916 1.115 1.124 39 HB3 SER 5 HB1 SER 5 -12.762 2.557 1.678 40 HG SER 5 HG SER 5 -10.395 2.696 1.341 41 H ILE 6 HN ILE 6 -12.831 -0.819 4.845 42 HA ILE 6 HA ILE 6 -10.731 -2.118 5.502 43 HB ILE 6 HB ILE 6 -12.171 -3.763 5.887 44 HG12 ILE 6 HG12 ILE 6 -12.515 -4.222 2.895 45 HG13 ILE 6 HG11 ILE 6 -11.178 -4.888 3.844 46 HG21 ILE 6 HG21 ILE 6 -13.901 -2.152 5.642 47 HG22 ILE 6 HG22 ILE 6 -14.463 -3.627 4.856 48 HG23 ILE 6 HG23 ILE 6 -13.863 -2.283 3.884 49 HD11 ILE 6 HD11 ILE 6 -13.958 -5.322 4.847 50 HD12 ILE 6 HD12 ILE 6 -12.539 -6.357 4.992 51 HD13 ILE 6 HD13 ILE 6 -13.415 -6.273 3.464 52 H VAL 7 HN VAL 7 -11.845 -2.302 2.125 53 HA VAL 7 HA VAL 7 -9.791 -3.951 1.145 54 HB VAL 7 HB VAL 7 -10.365 -2.438 -1.017 55 HG11 VAL 7 HG11 VAL 7 -11.767 -4.713 0.340 56 HG12 VAL 7 HG12 VAL 7 -10.878 -4.697 -1.184 57 HG13 VAL 7 HG13 VAL 7 -12.500 -4.009 -1.102 58 HG21 VAL 7 HG21 VAL 7 -12.366 -1.293 -0.865 59 HG22 VAL 7 HG22 VAL 7 -11.789 -1.064 0.785 60 HG23 VAL 7 HG23 VAL 7 -12.976 -2.320 0.432 61 H GLN 8 HN GLN 8 -8.243 -2.636 2.738 62 HA GLN 8 HA GLN 8 -6.633 -0.898 0.965 63 HB2 GLN 8 HB2 GLN 8 -7.471 -0.294 3.823 64 HB3 GLN 8 HB1 GLN 8 -6.117 0.539 2.985 65 HG2 GLN 8 HG2 GLN 8 -8.820 0.367 1.663 66 HG3 GLN 8 HG1 GLN 8 -8.540 1.577 2.913 67 HE21 GLN 8 HE21 GLN 8 -6.548 3.019 2.537 68 HE22 GLN 8 HE22 GLN 8 -6.156 3.410 0.932 69 HA PRO 9 HA PRO 9 -4.247 -4.312 3.118 70 HB2 PRO 9 HB2 PRO 9 -3.286 -4.792 0.360 71 HB3 PRO 9 HB1 PRO 9 -3.976 -5.930 1.514 72 HG2 PRO 9 HG2 PRO 9 -5.325 -5.182 -0.634 73 HG3 PRO 9 HG1 PRO 9 -6.137 -5.466 0.918 74 HD2 PRO 9 HD2 PRO 9 -5.322 -2.865 -0.323 75 HD3 PRO 9 HD1 PRO 9 -6.859 -3.279 0.471 76 HA PRO 10 HA PRO 10 -0.747 -1.448 2.741 77 HB2 PRO 10 HB2 PRO 10 0.369 -1.882 5.115 78 HB3 PRO 10 HB1 PRO 10 -1.237 -1.124 5.024 79 HG2 PRO 10 HG2 PRO 10 -0.513 -3.960 5.613 80 HG3 PRO 10 HG1 PRO 10 -1.696 -2.910 6.424 81 HD2 PRO 10 HD2 PRO 10 -2.370 -4.772 4.448 82 HD3 PRO 10 HD1 PRO 10 -3.347 -3.345 4.864 83 H ALA 11 HN ALA 11 1.041 -1.930 1.551 84 HA ALA 11 HA ALA 11 2.170 -4.619 1.751 85 HB1 ALA 11 HB1 ALA 11 3.587 -3.264 -0.211 86 HB2 ALA 11 HB2 ALA 11 1.957 -2.602 -0.341 87 HB3 ALA 11 HB3 ALA 11 2.217 -4.341 -0.480 88 HA PRO 12 HA PRO 12 5.471 -2.841 4.198 89 HB2 PRO 12 HB2 PRO 12 6.944 -5.127 4.488 90 HB3 PRO 12 HB1 PRO 12 5.488 -4.788 5.438 91 HG2 PRO 12 HG2 PRO 12 5.887 -6.606 3.148 92 HG3 PRO 12 HG1 PRO 12 4.775 -6.732 4.519 93 HD2 PRO 12 HD2 PRO 12 4.078 -5.921 1.946 94 HD3 PRO 12 HD1 PRO 12 3.111 -5.641 3.408 95 HA PRO 13 HA PRO 13 8.251 -1.819 0.769 96 HB2 PRO 13 HB2 PRO 13 9.915 -0.979 3.116 97 HB3 PRO 13 HB1 PRO 13 9.582 -0.104 1.606 98 HG2 PRO 13 HG2 PRO 13 8.321 0.587 3.787 99 HG3 PRO 13 HG1 PRO 13 7.444 0.454 2.248 100 HD2 PRO 13 HD2 PRO 13 7.414 -1.434 4.586 101 HD3 PRO 13 HD1 PRO 13 6.095 -0.939 3.496 102 HA PRO 14 HA PRO 14 10.911 -5.447 1.417 103 HB2 PRO 14 HB2 PRO 14 11.470 -5.952 -1.178 104 HB3 PRO 14 HB1 PRO 14 9.887 -6.321 -0.467 105 HG2 PRO 14 HG2 PRO 14 10.684 -4.100 -2.256 106 HG3 PRO 14 HG1 PRO 14 9.145 -4.965 -2.141 107 HD2 PRO 14 HD2 PRO 14 9.703 -2.446 -1.022 108 HD3 PRO 14 HD1 PRO 14 8.311 -3.477 -0.628 109 H ASN 15 HN ASN 15 13.179 -6.024 0.905 110 HA ASN 15 HA ASN 15 14.955 -3.865 1.288 111 HB2 ASN 15 HB2 ASN 15 15.819 -5.866 2.060 112 HB3 ASN 15 HB1 ASN 15 15.257 -6.773 0.658 113 HD21 ASN 15 HD21 ASN 15 17.072 -7.505 -0.457 114 HD22 ASN 15 HD22 ASN 15 18.449 -6.570 -0.785 115 H ALA 16 HN ALA 16 16.815 -3.354 -0.166 116 HA ALA 16 HA ALA 16 15.928 -3.283 -2.989 117 HB1 ALA 16 HB1 ALA 16 16.329 -1.070 -3.064 118 HB2 ALA 16 HB2 ALA 16 17.872 -1.243 -2.228 119 HB3 ALA 16 HB3 ALA 16 16.375 -1.128 -1.303 120 H PHE 17 HN PHE 17 17.673 -5.231 -1.481 121 HA PHE 17 HA PHE 17 19.870 -6.075 -1.566 122 HB2 PHE 17 HB2 PHE 17 18.846 -5.983 -4.410 123 HB3 PHE 17 HB1 PHE 17 20.261 -6.907 -3.908 124 HD1 PHE 17 HD1 PHE 17 19.820 -8.353 -1.662 125 HD2 PHE 17 HD2 PHE 17 16.826 -7.130 -4.486 126 HE1 PHE 17 HE1 PHE 17 18.365 -10.193 -0.892 127 HE2 PHE 17 HE2 PHE 17 15.348 -8.962 -3.736 128 HZ PHE 17 HZ PHE 17 16.105 -10.522 -1.932 129 H VAL 18 HN VAL 18 21.215 -4.365 -0.914 130 HA VAL 18 HA VAL 18 22.738 -2.641 -1.147 131 HB VAL 18 HB VAL 18 23.364 -4.366 -3.555 132 HG11 VAL 18 HG11 VAL 18 25.696 -3.259 -3.100 133 HG12 VAL 18 HG12 VAL 18 24.743 -1.991 -2.327 134 HG13 VAL 18 HG13 VAL 18 24.492 -2.369 -4.031 135 HG21 VAL 18 HG21 VAL 18 25.287 -4.962 -1.861 136 HG22 VAL 18 HG22 VAL 18 23.701 -5.710 -1.669 137 HG23 VAL 18 HG23 VAL 18 24.159 -4.343 -0.654 138 H GLU 19 HN GLU 19 21.006 -1.081 -1.561 139 HA GLU 19 HA GLU 19 20.165 0.723 -2.704 140 HB2 GLU 19 HB2 GLU 19 22.551 1.143 -3.222 141 HB3 GLU 19 HB1 GLU 19 22.396 0.115 -4.670 142 HG2 GLU 19 HG2 GLU 19 20.390 2.307 -4.360 143 HG3 GLU 19 HG1 GLU 19 22.038 2.795 -4.754 144 H ILE 20 HN ILE 20 21.313 -0.877 -5.626 145 HA ILE 20 HA ILE 20 18.972 -2.302 -6.272 146 HB ILE 20 HB ILE 20 18.066 0.066 -6.303 147 HG12 ILE 20 HG12 ILE 20 18.061 -1.621 -8.830 148 HG13 ILE 20 HG11 ILE 20 16.908 -1.697 -7.493 149 HG21 ILE 20 HG21 ILE 20 18.685 1.497 -8.157 150 HG22 ILE 20 HG22 ILE 20 19.741 0.251 -8.822 151 HG23 ILE 20 HG23 ILE 20 20.161 1.043 -7.303 152 HD11 ILE 20 HD11 ILE 20 15.931 -0.388 -9.364 153 HD12 ILE 20 HD12 ILE 20 17.303 0.727 -9.302 154 HD13 ILE 20 HD13 ILE 20 16.181 0.628 -7.944 155 HN1 NH2 21 HT1 ILE 20 19.210 -3.364 -8.354 156 HN2 NH2 21 HT2 ILE 20 20.636 -3.218 -9.262 Start of MODEL 8 1 H1 ACE 0 HT1 GLY 1 -18.331 6.668 4.944 2 H2 ACE 0 HT2 GLY 1 -17.659 7.492 6.141 3 H3 ACE 0 HT3 GLY 1 -16.743 6.640 5.141 4 H GLY 1 HN GLY 1 -15.798 9.023 5.262 5 HA2 GLY 1 HA2 GLY 1 -17.281 10.542 3.289 6 HA3 GLY 1 HA1 GLY 1 -15.817 11.059 4.120 7 H GLN 2 HN GLN 2 -15.225 8.024 2.980 8 HA GLN 2 HA GLN 2 -14.176 9.024 0.401 9 HB2 GLN 2 HB2 GLN 2 -12.818 7.473 2.577 10 HB3 GLN 2 HB1 GLN 2 -12.340 7.202 0.894 11 HG2 GLN 2 HG2 GLN 2 -12.483 9.942 2.182 12 HG3 GLN 2 HG1 GLN 2 -11.004 8.990 2.070 13 HE21 GLN 2 HE21 GLN 2 -12.956 11.251 0.396 14 HE22 GLN 2 HE22 GLN 2 -12.218 11.106 -1.125 15 H ARG 3 HN ARG 3 -16.375 7.068 1.753 16 HA ARG 3 HA ARG 3 -17.743 5.518 0.689 17 HB2 ARG 3 HB2 ARG 3 -17.453 5.017 -1.498 18 HB3 ARG 3 HB1 ARG 3 -16.229 6.282 -1.442 19 HG2 ARG 3 HG2 ARG 3 -14.636 4.304 -0.685 20 HG3 ARG 3 HG1 ARG 3 -15.878 3.289 -1.421 21 HD2 ARG 3 HD2 ARG 3 -14.133 5.368 -2.718 22 HD3 ARG 3 HD1 ARG 3 -14.413 3.699 -3.206 23 HE ARG 3 HE ARG 3 -16.865 4.756 -3.507 24 HH11 ARG 3 HH11 ARG 3 -13.715 5.879 -4.394 25 HH12 ARG 3 HH12 ARG 3 -14.266 6.752 -5.785 26 HH21 ARG 3 HH21 ARG 3 -17.596 5.901 -5.329 27 HH22 ARG 3 HH22 ARG 3 -16.463 6.765 -6.314 28 H HIS 4 HN HIS 4 -17.379 3.015 -0.016 29 HA HIS 4 HA HIS 4 -16.219 1.812 2.339 30 HB2 HIS 4 HB2 HIS 4 -16.959 -0.333 1.118 31 HB3 HIS 4 HB1 HIS 4 -18.224 0.788 1.636 32 HD1 HIS 4 HD1 HIS 4 -15.973 0.734 -1.490 33 HD2 HIS 4 HD2 HIS 4 -20.013 0.947 -0.449 34 HE1 HIS 4 HE1 HIS 4 -17.263 0.990 -3.651 35 HE2 HIS 4 HE2 HIS 4 -19.721 1.120 -3.037 36 H SER 5 HN SER 5 -14.013 2.653 1.765 37 HA SER 5 HA SER 5 -12.658 1.040 -0.288 38 HB2 SER 5 HB2 SER 5 -11.206 2.762 -0.534 39 HB3 SER 5 HB1 SER 5 -12.452 3.702 0.283 40 HG SER 5 HG SER 5 -10.086 2.563 1.304 41 H ILE 6 HN ILE 6 -13.234 1.110 3.033 42 HA ILE 6 HA ILE 6 -11.336 0.528 4.629 43 HB ILE 6 HB ILE 6 -12.914 -0.598 5.710 44 HG12 ILE 6 HG12 ILE 6 -12.870 -2.787 3.589 45 HG13 ILE 6 HG11 ILE 6 -11.718 -2.694 4.929 46 HG21 ILE 6 HG21 ILE 6 -15.029 -1.193 4.483 47 HG22 ILE 6 HG22 ILE 6 -14.219 -0.696 2.997 48 HG23 ILE 6 HG23 ILE 6 -14.491 0.474 4.289 49 HD11 ILE 6 HD11 ILE 6 -14.589 -2.486 5.653 50 HD12 ILE 6 HD12 ILE 6 -13.272 -3.310 6.489 51 HD13 ILE 6 HD13 ILE 6 -14.037 -4.062 5.089 52 H VAL 7 HN VAL 7 -12.020 -1.762 1.982 53 HA VAL 7 HA VAL 7 -9.937 -3.565 2.487 54 HB VAL 7 HB VAL 7 -10.126 -3.744 -0.186 55 HG11 VAL 7 HG11 VAL 7 -10.815 -5.403 1.580 56 HG12 VAL 7 HG12 VAL 7 -11.889 -5.362 0.182 57 HG13 VAL 7 HG13 VAL 7 -12.367 -4.569 1.683 58 HG21 VAL 7 HG21 VAL 7 -12.075 -2.829 -1.077 59 HG22 VAL 7 HG22 VAL 7 -11.602 -1.560 0.054 60 HG23 VAL 7 HG23 VAL 7 -12.861 -2.713 0.498 61 H GLN 8 HN GLN 8 -8.218 -2.084 3.156 62 HA GLN 8 HA GLN 8 -6.692 -1.076 0.816 63 HB2 GLN 8 HB2 GLN 8 -7.113 0.182 3.542 64 HB3 GLN 8 HB1 GLN 8 -5.738 0.629 2.476 65 HG2 GLN 8 HG2 GLN 8 -8.647 0.688 1.601 66 HG3 GLN 8 HG1 GLN 8 -7.786 2.095 2.221 67 HE21 GLN 8 HE21 GLN 8 -5.215 1.495 0.976 68 HE22 GLN 8 HE22 GLN 8 -5.409 1.708 -0.697 69 HA PRO 9 HA PRO 9 -4.275 -4.344 3.103 70 HB2 PRO 9 HB2 PRO 9 -3.377 -4.795 0.297 71 HB3 PRO 9 HB1 PRO 9 -3.931 -5.964 1.494 72 HG2 PRO 9 HG2 PRO 9 -5.463 -5.332 -0.542 73 HG3 PRO 9 HG1 PRO 9 -6.157 -5.567 1.075 74 HD2 PRO 9 HD2 PRO 9 -5.519 -3.009 -0.341 75 HD3 PRO 9 HD1 PRO 9 -6.967 -3.423 0.605 76 HA PRO 10 HA PRO 10 -0.754 -1.506 2.714 77 HB2 PRO 10 HB2 PRO 10 0.345 -1.918 5.098 78 HB3 PRO 10 HB1 PRO 10 -1.256 -1.153 4.989 79 HG2 PRO 10 HG2 PRO 10 -0.549 -3.985 5.617 80 HG3 PRO 10 HG1 PRO 10 -1.733 -2.920 6.406 81 HD2 PRO 10 HD2 PRO 10 -2.400 -4.803 4.448 82 HD3 PRO 10 HD1 PRO 10 -3.376 -3.370 4.843 83 H ALA 11 HN ALA 11 1.036 -2.010 1.541 84 HA ALA 11 HA ALA 11 2.159 -4.699 1.781 85 HB1 ALA 11 HB1 ALA 11 2.235 -4.453 -0.454 86 HB2 ALA 11 HB2 ALA 11 3.589 -3.353 -0.188 87 HB3 ALA 11 HB3 ALA 11 1.951 -2.715 -0.340 88 HA PRO 12 HA PRO 12 5.431 -2.911 4.249 89 HB2 PRO 12 HB2 PRO 12 6.951 -5.182 4.486 90 HB3 PRO 12 HB1 PRO 12 5.509 -4.865 5.465 91 HG2 PRO 12 HG2 PRO 12 5.887 -6.667 3.163 92 HG3 PRO 12 HG1 PRO 12 4.786 -6.801 4.542 93 HD2 PRO 12 HD2 PRO 12 4.067 -5.989 1.976 94 HD3 PRO 12 HD1 PRO 12 3.109 -5.715 3.444 95 HA PRO 13 HA PRO 13 8.196 -1.769 0.844 96 HB2 PRO 13 HB2 PRO 13 9.831 -0.932 3.213 97 HB3 PRO 13 HB1 PRO 13 9.484 -0.039 1.717 98 HG2 PRO 13 HG2 PRO 13 8.200 0.586 3.904 99 HG3 PRO 13 HG1 PRO 13 7.332 0.460 2.361 100 HD2 PRO 13 HD2 PRO 13 7.337 -1.469 4.665 101 HD3 PRO 13 HD1 PRO 13 6.011 -0.985 3.579 102 HA PRO 14 HA PRO 14 10.927 -5.351 1.434 103 HB2 PRO 14 HB2 PRO 14 11.545 -5.762 -1.168 104 HB3 PRO 14 HB1 PRO 14 9.967 -6.203 -0.489 105 HG2 PRO 14 HG2 PRO 14 10.713 -3.911 -2.207 106 HG3 PRO 14 HG1 PRO 14 9.199 -4.825 -2.131 107 HD2 PRO 14 HD2 PRO 14 9.667 -2.320 -0.945 108 HD3 PRO 14 HD1 PRO 14 8.306 -3.403 -0.587 109 H ASN 15 HN ASN 15 13.032 -5.297 1.995 110 HA ASN 15 HA ASN 15 14.670 -3.029 1.544 111 HB2 ASN 15 HB2 ASN 15 15.221 -4.206 3.477 112 HB3 ASN 15 HB1 ASN 15 15.124 -5.772 2.673 113 HD21 ASN 15 HD21 ASN 15 17.046 -2.719 2.389 114 HD22 ASN 15 HD22 ASN 15 18.513 -3.512 2.078 115 H ALA 16 HN ALA 16 16.855 -3.135 0.528 116 HA ALA 16 HA ALA 16 16.608 -4.265 -2.153 117 HB1 ALA 16 HB1 ALA 16 18.342 -2.790 -2.784 118 HB2 ALA 16 HB2 ALA 16 18.900 -2.604 -1.121 119 HB3 ALA 16 HB3 ALA 16 17.378 -1.873 -1.628 120 H PHE 17 HN PHE 17 16.817 -6.490 -1.234 121 HA PHE 17 HA PHE 17 19.476 -7.253 -0.319 122 HB2 PHE 17 HB2 PHE 17 17.039 -8.235 0.288 123 HB3 PHE 17 HB1 PHE 17 17.478 -9.327 -1.025 124 HD1 PHE 17 HD2 PHE 17 19.466 -10.770 -0.860 125 HD2 PHE 17 HD1 PHE 17 18.276 -8.211 2.377 126 HE1 PHE 17 HE2 PHE 17 20.963 -12.016 0.657 127 HE2 PHE 17 HE1 PHE 17 19.764 -9.440 3.917 128 HZ PHE 17 HZ PHE 17 21.129 -11.363 3.069 129 H VAL 18 HN VAL 18 20.503 -6.511 -2.347 130 HA VAL 18 HA VAL 18 20.357 -8.618 -4.417 131 HB VAL 18 HB VAL 18 21.117 -5.796 -5.094 132 HG11 VAL 18 HG11 VAL 18 21.535 -7.381 -6.825 133 HG12 VAL 18 HG12 VAL 18 20.023 -6.591 -7.272 134 HG13 VAL 18 HG13 VAL 18 19.999 -8.200 -6.549 135 HG21 VAL 18 HG21 VAL 18 19.041 -5.139 -4.425 136 HG22 VAL 18 HG22 VAL 18 18.457 -6.798 -4.300 137 HG23 VAL 18 HG23 VAL 18 18.487 -5.991 -5.868 138 H GLU 19 HN GLU 19 22.111 -9.710 -3.443 139 HA GLU 19 HA GLU 19 24.680 -8.262 -3.413 140 HB2 GLU 19 HB2 GLU 19 25.456 -10.371 -2.181 141 HB3 GLU 19 HB1 GLU 19 24.311 -9.314 -1.317 142 HG2 GLU 19 HG2 GLU 19 22.841 -11.009 -1.165 143 HG3 GLU 19 HG1 GLU 19 22.814 -11.168 -2.920 144 H ILE 20 HN ILE 20 22.903 -10.785 -4.994 145 HA ILE 20 HA ILE 20 24.955 -11.010 -7.026 146 HB ILE 20 HB ILE 20 25.444 -12.681 -5.062 147 HG12 ILE 20 HG12 ILE 20 25.312 -13.415 -8.006 148 HG13 ILE 20 HG11 ILE 20 26.684 -12.720 -7.134 149 HG21 ILE 20 HG21 ILE 20 24.219 -14.713 -5.102 150 HG22 ILE 20 HG22 ILE 20 23.448 -14.312 -6.636 151 HG23 ILE 20 HG23 ILE 20 22.987 -13.453 -5.166 152 HD11 ILE 20 HD11 ILE 20 27.015 -15.168 -7.417 153 HD12 ILE 20 HD12 ILE 20 25.493 -15.470 -6.568 154 HD13 ILE 20 HD13 ILE 20 26.852 -14.738 -5.714 155 HN1 NH2 21 HT1 ILE 20 23.990 -11.532 -9.021 156 HN2 NH2 21 HT2 ILE 20 22.369 -12.010 -9.187 Start of MODEL 9 1 H1 ACE 0 HT1 GLY 1 -22.296 -10.971 8.849 2 H2 ACE 0 HT2 GLY 1 -22.210 -11.770 10.233 3 H3 ACE 0 HT3 GLY 1 -21.174 -12.093 9.056 4 H GLY 1 HN GLY 1 -19.651 -11.698 10.976 5 HA2 GLY 1 HA2 GLY 1 -19.455 -8.919 11.525 6 HA3 GLY 1 HA1 GLY 1 -18.254 -10.135 11.951 7 H GLN 2 HN GLN 2 -17.794 -11.049 9.256 8 HA GLN 2 HA GLN 2 -16.110 -8.826 8.335 9 HB2 GLN 2 HB2 GLN 2 -16.081 -11.708 7.415 10 HB3 GLN 2 HB1 GLN 2 -14.837 -10.478 7.141 11 HG2 GLN 2 HG2 GLN 2 -14.916 -10.348 9.808 12 HG3 GLN 2 HG1 GLN 2 -15.482 -12.008 9.625 13 HE21 GLN 2 HE21 GLN 2 -13.973 -12.808 7.353 14 HE22 GLN 2 HE22 GLN 2 -12.326 -12.796 7.762 15 H ARG 3 HN ARG 3 -15.891 -10.143 5.685 16 HA ARG 3 HA ARG 3 -17.009 -10.302 3.653 17 HB2 ARG 3 HB2 ARG 3 -19.261 -10.491 3.582 18 HB3 ARG 3 HB1 ARG 3 -19.139 -10.541 5.339 19 HG2 ARG 3 HG2 ARG 3 -19.263 -7.905 5.138 20 HG3 ARG 3 HG1 ARG 3 -19.948 -8.253 3.551 21 HD2 ARG 3 HD2 ARG 3 -20.985 -9.249 6.216 22 HD3 ARG 3 HD1 ARG 3 -21.752 -8.057 5.170 23 HE ARG 3 HE ARG 3 -21.282 -10.656 3.946 24 HH11 ARG 3 HH21 ARG 3 -23.409 -8.565 5.702 25 HH12 ARG 3 HH22 ARG 3 -24.848 -9.404 5.229 26 HH21 ARG 3 HH11 ARG 3 -23.167 -11.761 3.322 27 HH22 ARG 3 HH12 ARG 3 -24.711 -11.213 3.882 28 H HIS 4 HN HIS 4 -17.026 -7.516 5.713 29 HA HIS 4 HA HIS 4 -16.427 -5.827 3.395 30 HB2 HIS 4 HB2 HIS 4 -18.905 -5.678 3.889 31 HB3 HIS 4 HB1 HIS 4 -18.476 -4.979 5.456 32 HD1 HIS 4 HD1 HIS 4 -17.132 -4.325 1.906 33 HD2 HIS 4 HD2 HIS 4 -18.706 -2.251 5.174 34 HE1 HIS 4 HE1 HIS 4 -17.065 -1.867 1.302 35 HE2 HIS 4 HE2 HIS 4 -18.019 -0.592 3.279 36 H SER 5 HN SER 5 -14.314 -6.187 4.512 37 HA SER 5 HA SER 5 -14.000 -4.363 6.820 38 HB2 SER 5 HB2 SER 5 -12.535 -5.814 7.767 39 HB3 SER 5 HB1 SER 5 -13.333 -7.001 6.738 40 HG SER 5 HG SER 5 -11.547 -5.778 5.249 41 H ILE 6 HN ILE 6 -12.514 -2.750 6.718 42 HA ILE 6 HA ILE 6 -11.866 -1.233 4.758 43 HB ILE 6 HB ILE 6 -10.471 -0.400 6.275 44 HG12 ILE 6 HG12 ILE 6 -8.572 -2.753 5.933 45 HG13 ILE 6 HG11 ILE 6 -8.673 -1.431 4.761 46 HG21 ILE 6 HG21 ILE 6 -11.494 -1.736 7.932 47 HG22 ILE 6 HG22 ILE 6 -9.760 -1.852 8.225 48 HG23 ILE 6 HG23 ILE 6 -10.610 -3.174 7.427 49 HD11 ILE 6 HD11 ILE 6 -6.915 -1.257 6.664 50 HD12 ILE 6 HD12 ILE 6 -8.292 -0.852 7.689 51 HD13 ILE 6 HD13 ILE 6 -7.899 0.162 6.300 52 H VAL 7 HN VAL 7 -11.522 -1.641 2.662 53 HA VAL 7 HA VAL 7 -9.921 -3.945 1.849 54 HB VAL 7 HB VAL 7 -10.607 -2.859 -0.486 55 HG11 VAL 7 HG11 VAL 7 -12.393 -4.395 1.419 56 HG12 VAL 7 HG12 VAL 7 -11.317 -5.061 0.192 57 HG13 VAL 7 HG13 VAL 7 -12.761 -4.173 -0.291 58 HG21 VAL 7 HG21 VAL 7 -12.708 -1.663 -0.350 59 HG22 VAL 7 HG22 VAL 7 -11.555 -0.838 0.700 60 HG23 VAL 7 HG23 VAL 7 -12.783 -1.897 1.396 61 H GLN 8 HN GLN 8 -8.244 -2.320 3.119 62 HA GLN 8 HA GLN 8 -6.710 -1.037 0.925 63 HB2 GLN 8 HB2 GLN 8 -7.049 -0.041 3.780 64 HB3 GLN 8 HB1 GLN 8 -5.923 0.654 2.566 65 HG2 GLN 8 HG2 GLN 8 -8.923 0.393 2.150 66 HG3 GLN 8 HG1 GLN 8 -8.140 1.858 2.740 67 HE21 GLN 8 HE21 GLN 8 -9.583 1.388 0.122 68 HE22 GLN 8 HE22 GLN 8 -8.452 1.794 -1.078 69 HA PRO 9 HA PRO 9 -4.247 -4.378 3.065 70 HB2 PRO 9 HB2 PRO 9 -3.340 -4.735 0.253 71 HB3 PRO 9 HB1 PRO 9 -3.911 -5.942 1.406 72 HG2 PRO 9 HG2 PRO 9 -5.414 -5.232 -0.632 73 HG3 PRO 9 HG1 PRO 9 -6.129 -5.539 0.964 74 HD2 PRO 9 HD2 PRO 9 -5.478 -2.919 -0.330 75 HD3 PRO 9 HD1 PRO 9 -6.943 -3.378 0.568 76 HA PRO 10 HA PRO 10 -0.766 -1.479 2.751 77 HB2 PRO 10 HB2 PRO 10 0.354 -1.960 5.113 78 HB3 PRO 10 HB1 PRO 10 -1.257 -1.213 5.041 79 HG2 PRO 10 HG2 PRO 10 -0.509 -4.056 5.565 80 HG3 PRO 10 HG1 PRO 10 -1.700 -3.035 6.400 81 HD2 PRO 10 HD2 PRO 10 -2.359 -4.857 4.381 82 HD3 PRO 10 HD1 PRO 10 -3.349 -3.450 4.832 83 H ALA 11 HN ALA 11 1.022 -1.920 1.548 84 HA ALA 11 HA ALA 11 2.177 -4.604 1.688 85 HB1 ALA 11 HB1 ALA 11 2.075 -4.202 -0.546 86 HB2 ALA 11 HB2 ALA 11 3.594 -3.352 -0.262 87 HB3 ALA 11 HB3 ALA 11 2.078 -2.452 -0.333 88 HA PRO 12 HA PRO 12 5.437 -2.815 4.190 89 HB2 PRO 12 HB2 PRO 12 6.904 -5.108 4.498 90 HB3 PRO 12 HB1 PRO 12 5.448 -4.753 5.441 91 HG2 PRO 12 HG2 PRO 12 5.844 -6.596 3.174 92 HG3 PRO 12 HG1 PRO 12 4.718 -6.694 4.534 93 HD2 PRO 12 HD2 PRO 12 4.060 -5.903 1.942 94 HD3 PRO 12 HD1 PRO 12 3.075 -5.607 3.388 95 HA PRO 13 HA PRO 13 8.254 -1.808 0.786 96 HB2 PRO 13 HB2 PRO 13 9.893 -0.961 3.149 97 HB3 PRO 13 HB1 PRO 13 9.577 -0.091 1.632 98 HG2 PRO 13 HG2 PRO 13 8.294 0.608 3.796 99 HG3 PRO 13 HG1 PRO 13 7.433 0.471 2.249 100 HD2 PRO 13 HD2 PRO 13 7.378 -1.409 4.593 101 HD3 PRO 13 HD1 PRO 13 6.070 -0.916 3.488 102 HA PRO 14 HA PRO 14 10.895 -5.442 1.471 103 HB2 PRO 14 HB2 PRO 14 11.515 -5.927 -1.118 104 HB3 PRO 14 HB1 PRO 14 9.922 -6.313 -0.438 105 HG2 PRO 14 HG2 PRO 14 10.732 -4.081 -2.205 106 HG3 PRO 14 HG1 PRO 14 9.195 -4.955 -2.114 107 HD2 PRO 14 HD2 PRO 14 9.725 -2.434 -0.983 108 HD3 PRO 14 HD1 PRO 14 8.333 -3.473 -0.609 109 H ASN 15 HN ASN 15 13.135 -5.853 1.464 110 HA ASN 15 HA ASN 15 14.863 -3.656 1.624 111 HB2 ASN 15 HB2 ASN 15 15.488 -5.660 2.744 112 HB3 ASN 15 HB1 ASN 15 15.388 -6.606 1.260 113 HD21 ASN 15 HD21 ASN 15 17.340 -6.902 0.169 114 HD22 ASN 15 HD22 ASN 15 18.727 -5.949 0.394 115 H ALA 16 HN ALA 16 16.840 -3.318 0.288 116 HA ALA 16 HA ALA 16 16.081 -3.165 -2.522 117 HB1 ALA 16 HB1 ALA 16 17.070 -1.166 -2.033 118 HB2 ALA 16 HB2 ALA 16 18.534 -2.054 -2.456 119 HB3 ALA 16 HB3 ALA 16 18.080 -1.856 -0.763 120 H PHE 17 HN PHE 17 16.204 -5.622 -2.568 121 HA PHE 17 HA PHE 17 17.416 -7.614 -2.851 122 HB2 PHE 17 HB2 PHE 17 18.816 -6.011 -4.971 123 HB3 PHE 17 HB1 PHE 17 18.199 -7.662 -5.052 124 HD1 PHE 17 HD1 PHE 17 15.489 -7.360 -3.936 125 HD2 PHE 17 HD2 PHE 17 17.654 -4.838 -6.654 126 HE1 PHE 17 HE1 PHE 17 13.348 -6.527 -4.844 127 HE2 PHE 17 HE2 PHE 17 15.530 -3.988 -7.581 128 HZ PHE 17 HZ PHE 17 13.345 -4.832 -6.685 129 H VAL 18 HN VAL 18 18.696 -7.758 -0.967 130 HA VAL 18 HA VAL 18 20.623 -7.527 0.331 131 HB VAL 18 HB VAL 18 21.617 -8.590 -2.323 132 HG11 VAL 18 HG11 VAL 18 22.895 -8.676 0.429 133 HG12 VAL 18 HG12 VAL 18 23.471 -7.723 -0.939 134 HG13 VAL 18 HG13 VAL 18 23.508 -9.484 -1.013 135 HG21 VAL 18 HG21 VAL 18 20.052 -10.140 -1.545 136 HG22 VAL 18 HG22 VAL 18 20.384 -9.776 0.148 137 HG23 VAL 18 HG23 VAL 18 21.531 -10.732 -0.789 138 H GLU 19 HN GLU 19 21.025 -5.397 0.777 139 HA GLU 19 HA GLU 19 22.016 -3.513 -1.104 140 HB2 GLU 19 HB2 GLU 19 22.618 -2.200 0.998 141 HB3 GLU 19 HB1 GLU 19 20.906 -2.657 0.823 142 HG2 GLU 19 HG2 GLU 19 21.002 -3.776 2.773 143 HG3 GLU 19 HG1 GLU 19 22.277 -4.810 2.126 144 H ILE 20 HN ILE 20 24.140 -2.401 -0.880 145 HA ILE 20 HA ILE 20 26.313 -4.084 0.130 146 HB ILE 20 HB ILE 20 25.924 -4.766 -2.240 147 HG12 ILE 20 HG12 ILE 20 28.484 -3.262 -1.587 148 HG13 ILE 20 HG11 ILE 20 28.155 -4.978 -1.311 149 HG21 ILE 20 HG21 ILE 20 25.711 -3.249 -3.909 150 HG22 ILE 20 HG22 ILE 20 27.078 -2.298 -3.327 151 HG23 ILE 20 HG23 ILE 20 25.476 -2.060 -2.629 152 HD11 ILE 20 HD11 ILE 20 28.240 -3.655 -4.058 153 HD12 ILE 20 HD12 ILE 20 27.907 -5.357 -3.744 154 HD13 ILE 20 HD13 ILE 20 29.502 -4.696 -3.384 155 HN1 NH2 21 HT1 ILE 20 26.604 -2.274 1.657 156 HN2 NH2 21 HT2 ILE 20 27.302 -0.818 1.134 Start of MODEL 10 1 H1 ACE 0 HT1 GLY 1 -13.781 -11.097 9.988 2 H2 ACE 0 HT2 GLY 1 -14.220 -11.893 8.671 3 H3 ACE 0 HT3 GLY 1 -14.219 -12.633 10.090 4 H GLY 1 HN GLY 1 -15.951 -10.499 8.078 5 HA2 GLY 1 HA2 GLY 1 -18.293 -10.259 8.245 6 HA3 GLY 1 HA1 GLY 1 -18.282 -11.358 9.623 7 H GLN 2 HN GLN 2 -16.160 -8.573 9.275 8 HA GLN 2 HA GLN 2 -17.185 -7.498 11.788 9 HB2 GLN 2 HB2 GLN 2 -14.915 -6.465 10.071 10 HB3 GLN 2 HB1 GLN 2 -15.248 -6.064 11.763 11 HG2 GLN 2 HG2 GLN 2 -14.891 -8.944 11.018 12 HG3 GLN 2 HG1 GLN 2 -13.460 -7.923 11.139 13 HE21 GLN 2 HE21 GLN 2 -14.468 -10.152 12.971 14 HE22 GLN 2 HE22 GLN 2 -14.532 -9.435 14.508 15 H ARG 3 HN ARG 3 -17.661 -7.071 8.463 16 HA ARG 3 HA ARG 3 -19.230 -5.698 7.434 17 HB2 ARG 3 HB2 ARG 3 -20.603 -4.380 8.657 18 HB3 ARG 3 HB1 ARG 3 -19.845 -5.174 10.035 19 HG2 ARG 3 HG2 ARG 3 -18.053 -3.238 9.799 20 HG3 ARG 3 HG1 ARG 3 -19.339 -2.425 8.906 21 HD2 ARG 3 HD2 ARG 3 -20.805 -2.462 10.771 22 HD3 ARG 3 HD1 ARG 3 -19.822 -3.649 11.623 23 HE ARG 3 HE ARG 3 -19.256 -0.781 11.373 24 HH11 ARG 3 HH11 ARG 3 -18.348 -3.951 12.418 25 HH12 ARG 3 HH12 ARG 3 -17.147 -3.391 13.533 26 HH21 ARG 3 HH21 ARG 3 -17.682 -0.037 12.835 27 HH22 ARG 3 HH22 ARG 3 -16.770 -1.175 13.770 28 H HIS 4 HN HIS 4 -18.953 -3.981 6.035 29 HA HIS 4 HA HIS 4 -17.401 -2.824 4.681 30 HB2 HIS 4 HB2 HIS 4 -18.742 -1.102 5.670 31 HB3 HIS 4 HB1 HIS 4 -17.844 -1.190 7.191 32 HD1 HIS 4 HD1 HIS 4 -16.668 -0.841 3.539 33 HD2 HIS 4 HD2 HIS 4 -16.212 1.025 7.249 34 HE1 HIS 4 HE1 HIS 4 -15.020 1.050 3.199 35 HE2 HIS 4 HE2 HIS 4 -14.731 2.195 5.446 36 H SER 5 HN SER 5 -15.680 -4.496 5.005 37 HA SER 5 HA SER 5 -13.569 -3.807 6.889 38 HB2 SER 5 HB2 SER 5 -12.506 -5.835 6.170 39 HB3 SER 5 HB1 SER 5 -14.224 -6.183 6.354 40 HG SER 5 HG SER 5 -13.586 -6.986 4.386 41 H ILE 6 HN ILE 6 -13.343 -1.643 5.814 42 HA ILE 6 HA ILE 6 -12.675 -0.732 3.511 43 HB ILE 6 HB ILE 6 -11.759 0.864 4.758 44 HG12 ILE 6 HG12 ILE 6 -9.412 -0.935 5.471 45 HG13 ILE 6 HG11 ILE 6 -9.555 -0.131 3.901 46 HG21 ILE 6 HG21 ILE 6 -11.141 0.348 7.159 47 HG22 ILE 6 HG22 ILE 6 -11.560 -1.328 6.808 48 HG23 ILE 6 HG23 ILE 6 -12.784 -0.065 6.673 49 HD11 ILE 6 HD11 ILE 6 -8.199 1.182 5.523 50 HD12 ILE 6 HD12 ILE 6 -9.611 1.293 6.574 51 HD13 ILE 6 HD13 ILE 6 -9.635 2.052 4.982 52 H VAL 7 HN VAL 7 -11.888 -1.697 1.742 53 HA VAL 7 HA VAL 7 -9.898 -3.783 1.895 54 HB VAL 7 HB VAL 7 -10.070 -3.325 -0.736 55 HG11 VAL 7 HG11 VAL 7 -11.978 -4.914 -0.746 56 HG12 VAL 7 HG12 VAL 7 -12.215 -4.621 0.977 57 HG13 VAL 7 HG13 VAL 7 -10.734 -5.394 0.409 58 HG21 VAL 7 HG21 VAL 7 -11.598 -1.278 0.050 59 HG22 VAL 7 HG22 VAL 7 -12.837 -2.532 0.078 60 HG23 VAL 7 HG23 VAL 7 -11.966 -2.186 -1.417 61 H GLN 8 HN GLN 8 -8.259 -2.401 2.952 62 HA GLN 8 HA GLN 8 -6.657 -0.974 0.905 63 HB2 GLN 8 HB2 GLN 8 -7.194 -0.078 3.762 64 HB3 GLN 8 HB1 GLN 8 -5.981 0.661 2.663 65 HG2 GLN 8 HG2 GLN 8 -8.873 0.363 1.831 66 HG3 GLN 8 HG1 GLN 8 -8.344 1.744 2.790 67 HE21 GLN 8 HE21 GLN 8 -9.305 2.003 0.071 68 HE22 GLN 8 HE22 GLN 8 -8.006 2.539 -0.882 69 HA PRO 9 HA PRO 9 -4.257 -4.309 3.136 70 HB2 PRO 9 HB2 PRO 9 -3.328 -4.815 0.365 71 HB3 PRO 9 HB1 PRO 9 -3.981 -5.947 1.549 72 HG2 PRO 9 HG2 PRO 9 -5.387 -5.249 -0.573 73 HG3 PRO 9 HG1 PRO 9 -6.162 -5.497 1.006 74 HD2 PRO 9 HD2 PRO 9 -5.386 -2.926 -0.320 75 HD3 PRO 9 HD1 PRO 9 -6.899 -3.324 0.527 76 HA PRO 10 HA PRO 10 -0.741 -1.470 2.706 77 HB2 PRO 10 HB2 PRO 10 0.375 -1.870 5.084 78 HB3 PRO 10 HB1 PRO 10 -1.228 -1.106 4.982 79 HG2 PRO 10 HG2 PRO 10 -0.515 -3.936 5.619 80 HG3 PRO 10 HG1 PRO 10 -1.693 -2.868 6.413 81 HD2 PRO 10 HD2 PRO 10 -2.374 -4.759 4.468 82 HD3 PRO 10 HD1 PRO 10 -3.347 -3.323 4.864 83 H ALA 11 HN ALA 11 1.041 -1.981 1.521 84 HA ALA 11 HA ALA 11 2.165 -4.669 1.770 85 HB1 ALA 11 HB1 ALA 11 2.241 -4.444 -0.465 86 HB2 ALA 11 HB2 ALA 11 3.578 -3.320 -0.217 87 HB3 ALA 11 HB3 ALA 11 1.929 -2.711 -0.365 88 HA PRO 12 HA PRO 12 5.461 -2.854 4.192 89 HB2 PRO 12 HB2 PRO 12 6.955 -5.130 4.486 90 HB3 PRO 12 HB1 PRO 12 5.508 -4.788 5.447 91 HG2 PRO 12 HG2 PRO 12 5.892 -6.629 3.175 92 HG3 PRO 12 HG1 PRO 12 4.788 -6.740 4.554 93 HD2 PRO 12 HD2 PRO 12 4.074 -5.964 1.976 94 HD3 PRO 12 HD1 PRO 12 3.115 -5.667 3.440 95 HA PRO 13 HA PRO 13 8.226 -1.827 0.752 96 HB2 PRO 13 HB2 PRO 13 9.879 -0.947 3.092 97 HB3 PRO 13 HB1 PRO 13 9.535 -0.089 1.576 98 HG2 PRO 13 HG2 PRO 13 8.266 0.603 3.751 99 HG3 PRO 13 HG1 PRO 13 7.391 0.448 2.214 100 HD2 PRO 13 HD2 PRO 13 7.385 -1.423 4.566 101 HD3 PRO 13 HD1 PRO 13 6.059 -0.950 3.474 102 HA PRO 14 HA PRO 14 10.919 -5.424 1.424 103 HB2 PRO 14 HB2 PRO 14 11.527 -5.906 -1.168 104 HB3 PRO 14 HB1 PRO 14 9.947 -6.315 -0.474 105 HG2 PRO 14 HG2 PRO 14 10.708 -4.075 -2.253 106 HG3 PRO 14 HG1 PRO 14 9.184 -4.971 -2.145 107 HD2 PRO 14 HD2 PRO 14 9.687 -2.440 -1.028 108 HD3 PRO 14 HD1 PRO 14 8.315 -3.497 -0.639 109 H ASN 15 HN ASN 15 13.202 -5.971 0.948 110 HA ASN 15 HA ASN 15 14.922 -3.735 1.300 111 HB2 ASN 15 HB2 ASN 15 15.444 -5.957 2.213 112 HB3 ASN 15 HB1 ASN 15 15.596 -6.597 0.577 113 HD21 ASN 15 HD21 ASN 15 17.836 -6.976 0.401 114 HD22 ASN 15 HD22 ASN 15 19.021 -5.791 0.670 115 H ALA 16 HN ALA 16 16.817 -3.278 -0.101 116 HA ALA 16 HA ALA 16 15.948 -3.113 -2.898 117 HB1 ALA 16 HB1 ALA 16 16.713 -1.064 -1.662 118 HB2 ALA 16 HB2 ALA 16 17.612 -1.387 -3.143 119 HB3 ALA 16 HB3 ALA 16 18.321 -1.781 -1.577 120 H PHE 17 HN PHE 17 16.390 -5.480 -3.103 121 HA PHE 17 HA PHE 17 18.597 -6.938 -2.844 122 HB2 PHE 17 HB2 PHE 17 16.943 -6.608 -5.347 123 HB3 PHE 17 HB1 PHE 17 18.208 -7.828 -5.202 124 HD1 PHE 17 HD1 PHE 17 18.115 -9.253 -2.954 125 HD2 PHE 17 HD2 PHE 17 14.781 -7.183 -4.695 126 HE1 PHE 17 HE1 PHE 17 16.572 -10.732 -1.718 127 HE2 PHE 17 HE2 PHE 17 13.213 -8.647 -3.471 128 HZ PHE 17 HZ PHE 17 14.096 -10.443 -1.964 129 H VAL 18 HN VAL 18 20.451 -5.625 -2.626 130 HA VAL 18 HA VAL 18 22.367 -4.561 -3.322 131 HB VAL 18 HB VAL 18 21.801 -5.942 -5.952 132 HG11 VAL 18 HG11 VAL 18 24.209 -4.725 -4.623 133 HG12 VAL 18 HG12 VAL 18 23.647 -4.539 -6.284 134 HG13 VAL 18 HG13 VAL 18 24.412 -6.044 -5.776 135 HG21 VAL 18 HG21 VAL 18 21.671 -7.695 -4.385 136 HG22 VAL 18 HG22 VAL 18 22.860 -6.951 -3.317 137 HG23 VAL 18 HG23 VAL 18 23.378 -7.693 -4.830 138 H GLU 19 HN GLU 19 21.311 -2.484 -3.196 139 HA GLU 19 HA GLU 19 19.830 -1.163 -5.071 140 HB2 GLU 19 HB2 GLU 19 21.048 0.934 -4.323 141 HB3 GLU 19 HB1 GLU 19 20.362 -0.059 -3.014 142 HG2 GLU 19 HG2 GLU 19 23.247 -0.183 -3.964 143 HG3 GLU 19 HG1 GLU 19 22.699 0.675 -2.525 144 H ILE 20 HN ILE 20 20.784 0.795 -6.407 145 HA ILE 20 HA ILE 20 22.915 -0.307 -8.142 146 HB ILE 20 HB ILE 20 21.833 0.823 -10.018 147 HG12 ILE 20 HG12 ILE 20 19.882 1.719 -7.871 148 HG13 ILE 20 HG11 ILE 20 20.880 2.743 -8.910 149 HG21 ILE 20 HG21 ILE 20 19.624 -0.630 -8.578 150 HG22 ILE 20 HG22 ILE 20 21.080 -1.494 -9.073 151 HG23 ILE 20 HG23 ILE 20 20.070 -0.704 -10.284 152 HD11 ILE 20 HD11 ILE 20 19.683 1.928 -10.919 153 HD12 ILE 20 HD12 ILE 20 18.553 2.668 -9.784 154 HD13 ILE 20 HD13 ILE 20 18.657 0.907 -9.909 155 HN1 NH2 21 HT1 ILE 20 22.972 2.256 -9.681 156 HN2 NH2 21 HT2 ILE 20 23.784 3.364 -8.685
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