NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
548049 | 2lti | 18481 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.536 0.121 1.847 2 HA2 GLY 1 HA3 GLY 1 1.903 1.762 -0.620 3 HA3 GLY 1 HA2 GLY 1 1.981 2.360 1.038 4 H LEU 2 H LEU 2 3.910 3.334 0.820 5 HA LEU 2 HA LEU 2 6.057 3.811 0.760 6 HB2 LEU 2 HB3 LEU 2 5.887 2.592 2.844 7 HB3 LEU 2 HB2 LEU 2 6.245 1.067 2.023 8 HG LEU 2 HG LEU 2 8.531 1.887 1.480 9 HD11 LEU 2 HD11 LEU 2 9.386 3.902 2.659 10 HD12 LEU 2 HD12 LEU 2 7.729 4.295 3.178 11 HD13 LEU 2 HD13 LEU 2 8.166 4.319 1.453 12 HD21 LEU 2 HD21 LEU 2 8.096 0.578 3.517 13 HD22 LEU 2 HD22 LEU 2 7.779 2.074 4.426 14 HD23 LEU 2 HD23 LEU 2 9.401 1.747 3.767 15 H SER 3 H SER 3 6.173 0.460 -0.211 16 HA SER 3 HA SER 3 6.758 -0.151 -2.471 17 HB2 SER 3 HB3 SER 3 9.084 0.183 -3.286 18 HB3 SER 3 HB2 SER 3 8.052 1.614 -3.306 19 HG SER 3 HG SER 3 8.996 2.332 -1.473 20 H GLN 4 H GLN 4 7.467 -2.163 -2.717 21 HA GLN 4 HA GLN 4 9.271 -3.550 -0.923 22 HB2 GLN 4 HB3 GLN 4 7.012 -2.997 0.427 23 HB3 GLN 4 HB2 GLN 4 6.380 -4.329 -0.511 24 HG2 GLN 4 HG3 GLN 4 7.066 -5.096 1.665 25 HG3 GLN 4 HG2 GLN 4 8.106 -5.832 0.458 26 HE21 GLN 4 HE21 GLN 4 8.986 -2.436 1.152 27 HE22 GLN 4 HE22 GLN 4 10.252 -2.945 2.274 28 H GLY 5 H GLY 5 7.145 -3.609 -3.702 29 HA2 GLY 5 HA3 GLY 5 7.721 -5.508 -5.306 30 HA3 GLY 5 HA2 GLY 5 7.308 -6.585 -3.959 31 H VAL 6 H VAL 6 5.249 -7.387 -4.183 32 HA VAL 6 HA VAL 6 3.082 -5.520 -4.275 33 HB VAL 6 HB VAL 6 1.713 -6.841 -5.949 34 HG11 VAL 6 HG11 VAL 6 3.967 -5.318 -7.267 35 HG12 VAL 6 HG12 VAL 6 2.309 -5.565 -7.846 36 HG13 VAL 6 HG13 VAL 6 2.603 -4.561 -6.417 37 HG21 VAL 6 HG21 VAL 6 3.202 -8.800 -6.221 38 HG22 VAL 6 HG22 VAL 6 2.828 -8.010 -7.761 39 HG23 VAL 6 HG23 VAL 6 4.414 -7.758 -7.003 40 H GLU 7 H GLU 7 1.330 -6.227 -3.306 41 HA GLU 7 HA GLU 7 0.242 -8.383 -4.333 42 HB2 GLU 7 HB3 GLU 7 1.356 -9.804 -2.536 43 HB3 GLU 7 HB2 GLU 7 0.240 -9.093 -1.382 44 HG2 GLU 7 HG3 GLU 7 -1.672 -9.995 -2.710 45 HG3 GLU 7 HG2 GLU 7 -0.545 -10.574 -3.941 46 HA PRO 8 HA PRO 8 -1.635 -4.782 -2.614 47 HB2 PRO 8 HB3 PRO 8 -3.634 -4.692 -0.857 48 HB3 PRO 8 HB2 PRO 8 -3.708 -5.840 -2.230 49 HG2 PRO 8 HG3 PRO 8 -2.982 -6.402 0.651 50 HG3 PRO 8 HG2 PRO 8 -3.961 -7.389 -0.473 51 HD2 PRO 8 HD3 PRO 8 -1.155 -7.628 0.068 52 HD3 PRO 8 HD2 PRO 8 -2.080 -8.458 -1.206 53 H ASP 9 H ASP 9 -1.598 -2.797 -1.554 54 HA ASP 9 HA ASP 9 -1.538 -2.751 1.290 55 HB2 ASP 9 HB2 ASP 9 0.192 -1.454 1.896 56 HB3 ASP 9 HB3 ASP 9 0.912 -2.544 0.738 57 H ILE 10 H ILE 10 -3.692 -2.383 0.561 58 HA ILE 10 HA ILE 10 -4.431 0.310 -0.395 59 HB ILE 10 HB ILE 10 -6.206 -1.911 0.701 60 HG12 ILE 10 HG13 ILE 10 -5.546 -1.217 -2.202 61 HG13 ILE 10 HG12 ILE 10 -5.002 -2.656 -1.339 62 HG21 ILE 10 HG21 ILE 10 -8.029 -0.613 -0.345 63 HG22 ILE 10 HG22 ILE 10 -7.162 0.411 0.786 64 HG23 ILE 10 HG23 ILE 10 -6.858 0.582 -0.955 65 HD11 ILE 10 HD11 ILE 10 -6.814 -3.308 -2.728 66 HD12 ILE 10 HD12 ILE 10 -7.374 -3.373 -1.045 67 HD13 ILE 10 HD13 ILE 10 -7.864 -2.028 -2.109 68 H GLY 11 H GLY 11 -3.305 1.450 1.089 69 HA2 GLY 11 HA3 GLY 11 -4.085 2.690 3.393 70 HA3 GLY 11 HA2 GLY 11 -3.575 1.089 3.962 71 H GLN 12 H GLN 12 -1.997 2.852 4.964 72 HA GLN 12 HA GLN 12 0.135 3.377 5.341 73 HB2 GLN 12 HB3 GLN 12 0.195 0.934 4.739 74 HB3 GLN 12 HB2 GLN 12 0.747 1.392 3.139 75 HG2 GLN 12 HG3 GLN 12 2.733 2.529 4.259 76 HG3 GLN 12 HG2 GLN 12 2.217 1.745 5.762 77 HE21 GLN 12 HE21 GLN 12 4.595 1.350 3.691 78 HE22 GLN 12 HE22 GLN 12 4.485 -0.393 3.384 79 H THR 13 H THR 13 -0.213 3.328 1.810 80 HA THR 13 HA THR 13 0.455 6.075 1.487 81 HB THR 13 HB THR 13 2.527 4.537 -0.047 82 HG1 THR 13 HG1 THR 13 2.608 4.994 2.694 83 HG21 THR 13 HG21 THR 13 3.826 6.583 0.280 84 HG22 THR 13 HG22 THR 13 2.582 7.234 1.372 85 HG23 THR 13 HG23 THR 13 2.222 6.990 -0.353 86 H TYR 14 H TYR 14 -0.120 2.913 -0.093 87 HA TYR 14 HA TYR 14 -0.876 4.273 -2.619 88 HB2 TYR 14 HB3 TYR 14 0.798 1.769 -2.677 89 HB3 TYR 14 HB2 TYR 14 0.405 2.876 -3.987 90 HD1 TYR 14 HD2 TYR 14 1.361 5.513 -2.825 91 HD2 TYR 14 HD1 TYR 14 3.055 1.557 -2.967 92 HE1 TYR 14 HE2 TYR 14 3.662 6.475 -2.596 93 HE2 TYR 14 HE1 TYR 14 5.329 2.511 -2.839 94 HH TYR 14 HH TYR 14 6.518 4.391 -2.258 95 H PHE 15 H PHE 15 -0.945 1.307 -3.696 96 HA PHE 15 HA PHE 15 -3.358 0.334 -2.243 97 HB2 PHE 15 HB3 PHE 15 -3.030 0.193 -5.242 98 HB3 PHE 15 HB2 PHE 15 -4.473 -0.113 -4.293 99 HD1 PHE 15 HD1 PHE 15 -5.463 1.946 -2.975 100 HD2 PHE 15 HD2 PHE 15 -2.634 2.290 -6.199 101 HE1 PHE 15 HE1 PHE 15 -6.143 4.313 -3.308 102 HE2 PHE 15 HE2 PHE 15 -3.306 4.655 -6.543 103 HZ PHE 15 HZ PHE 15 -5.067 5.676 -5.097 104 H GLU 16 H GLU 16 -0.375 -0.498 -3.855 105 HA GLU 16 HA GLU 16 -1.163 -3.371 -3.993 106 HB2 GLU 16 HB3 GLU 16 -0.079 -3.401 -6.154 107 HB3 GLU 16 HB2 GLU 16 -1.442 -2.304 -6.073 108 HG2 GLU 16 HG3 GLU 16 1.431 -1.321 -5.808 109 HG3 GLU 16 HG2 GLU 16 0.654 -1.566 -7.367 110 H GLU 17 H GLU 17 1.577 -1.472 -2.899 111 HA GLU 17 HA GLU 17 3.545 -3.497 -3.752 112 HB2 GLU 17 HB3 GLU 17 3.739 -0.712 -2.599 113 HB3 GLU 17 HB2 GLU 17 5.101 -1.804 -2.534 114 HG2 GLU 17 HG3 GLU 17 4.269 -2.009 -5.222 115 HG3 GLU 17 HG2 GLU 17 4.013 -0.316 -4.829 116 H SER 18 H SER 18 2.849 -1.966 -0.592 117 HA SER 18 HA SER 18 4.634 -3.876 0.788 118 HB2 SER 18 HB3 SER 18 2.903 -1.670 1.899 119 HB3 SER 18 HB2 SER 18 3.820 -2.798 2.910 120 HG SER 18 HG SER 18 4.774 -0.961 1.016 121 H ARG 19 H ARG 19 3.439 -5.556 -0.123 122 HA ARG 19 HA ARG 19 1.148 -6.735 0.079 123 HB2 ARG 19 HB3 ARG 19 2.253 -8.756 -0.444 124 HB3 ARG 19 HB2 ARG 19 3.247 -7.446 -1.011 125 HG2 ARG 19 HG3 ARG 19 4.915 -8.645 -0.101 126 HG3 ARG 19 HG2 ARG 19 4.476 -7.764 1.355 127 HD2 ARG 19 HD3 ARG 19 4.800 -10.104 1.876 128 HD3 ARG 19 HD2 ARG 19 3.100 -9.738 2.092 129 HE ARG 19 HE ARG 19 4.315 -11.252 -0.186 130 HH11 ARG 19 HH11 ARG 19 1.234 -10.268 1.294 131 HH12 ARG 19 HH12 ARG 19 0.399 -11.414 0.279 132 HH21 ARG 19 HH21 ARG 19 3.054 -12.504 -1.465 133 HH22 ARG 19 HH22 ARG 19 1.359 -12.554 -1.196 134 H ILE 20 H ILE 20 2.093 -5.904 2.968 135 HA ILE 20 HA ILE 20 0.737 -8.089 4.500 136 HB ILE 20 HB ILE 20 2.502 -5.827 5.514 137 HG12 ILE 20 HG13 ILE 20 3.933 -7.363 4.297 138 HG13 ILE 20 HG12 ILE 20 4.221 -7.495 6.015 139 HG21 ILE 20 HG21 ILE 20 2.550 -7.164 7.652 140 HG22 ILE 20 HG22 ILE 20 0.990 -6.447 7.267 141 HG23 ILE 20 HG23 ILE 20 1.245 -8.175 6.981 142 HD11 ILE 20 HD11 ILE 20 2.573 -9.474 4.372 143 HD12 ILE 20 HD12 ILE 20 4.244 -9.697 4.916 144 HD13 ILE 20 HD13 ILE 20 2.936 -9.611 6.107 145 H ASN 21 H ASN 21 0.403 -4.893 3.231 146 HA ASN 21 HA ASN 21 -1.080 -3.254 3.371 147 HB2 ASN 21 HB3 ASN 21 -2.377 -5.312 2.589 148 HB3 ASN 21 HB2 ASN 21 -3.129 -5.335 4.182 149 HD21 ASN 21 HD21 ASN 21 -3.719 -2.677 4.708 150 HD22 ASN 21 HD22 ASN 21 -4.647 -1.976 3.383 151 H GLN 22 H GLN 22 0.188 -2.412 5.230 152 HA GLN 22 HA GLN 22 -1.051 -2.309 7.870 153 HB2 GLN 22 HB3 GLN 22 1.415 -1.781 7.157 154 HB3 GLN 22 HB2 GLN 22 0.767 -0.256 6.575 155 HG2 GLN 22 HG3 GLN 22 -0.173 -0.105 9.110 156 HG3 GLN 22 HG2 GLN 22 1.119 -1.255 9.393 157 HE21 GLN 22 HE21 GLN 22 0.375 2.036 8.050 158 HE22 GLN 22 HE22 GLN 22 1.994 2.632 8.432 159 H ASP 23 H ASP 23 -2.111 -0.438 8.757 160 HA ASP 23 HA ASP 23 -4.040 1.122 7.526 161 HB2 ASP 23 HB3 ASP 23 -2.203 2.019 9.777 162 HB3 ASP 23 HB2 ASP 23 -3.879 2.467 9.511 Start of MODEL 2 1 H1 GLY 1 H GLY 1 0.261 0.235 1.180 2 HA2 GLY 1 HA3 GLY 1 1.207 -1.443 -1.092 3 HA3 GLY 1 HA2 GLY 1 1.499 0.249 -0.881 4 H LEU 2 H LEU 2 2.867 0.764 1.050 5 HA LEU 2 HA LEU 2 4.877 0.892 1.987 6 HB2 LEU 2 HB3 LEU 2 4.228 -1.166 3.147 7 HB3 LEU 2 HB2 LEU 2 4.972 -2.144 1.897 8 HG LEU 2 HG LEU 2 6.244 -1.917 3.992 9 HD11 LEU 2 HD11 LEU 2 7.881 -0.795 1.712 10 HD12 LEU 2 HD12 LEU 2 7.363 -2.490 1.819 11 HD13 LEU 2 HD13 LEU 2 8.418 -1.791 3.064 12 HD21 LEU 2 HD21 LEU 2 5.789 0.443 4.521 13 HD22 LEU 2 HD22 LEU 2 6.840 0.937 3.173 14 HD23 LEU 2 HD23 LEU 2 7.517 0.056 4.551 15 H SER 3 H SER 3 5.241 -1.629 -0.513 16 HA SER 3 HA SER 3 6.321 0.162 -2.332 17 HB2 SER 3 HB3 SER 3 8.404 -0.035 -0.936 18 HB3 SER 3 HB2 SER 3 8.531 -1.720 -1.462 19 HG SER 3 HG SER 3 8.155 0.294 -3.430 20 H GLN 4 H GLN 4 7.794 -1.629 -4.030 21 HA GLN 4 HA GLN 4 5.614 -2.662 -5.472 22 HB2 GLN 4 HB3 GLN 4 8.560 -3.125 -6.090 23 HB3 GLN 4 HB2 GLN 4 7.183 -3.204 -7.212 24 HG2 GLN 4 HG3 GLN 4 6.675 -0.819 -6.420 25 HG3 GLN 4 HG2 GLN 4 8.339 -0.774 -5.805 26 HE21 GLN 4 HE21 GLN 4 7.189 1.051 -7.555 27 HE22 GLN 4 HE22 GLN 4 8.007 0.851 -9.129 28 H GLY 5 H GLY 5 4.482 -4.358 -5.113 29 HA2 GLY 5 HA3 GLY 5 5.722 -7.015 -5.494 30 HA3 GLY 5 HA2 GLY 5 4.811 -6.824 -4.003 31 H VAL 6 H VAL 6 2.929 -4.953 -5.698 32 HA VAL 6 HA VAL 6 1.100 -4.979 -6.933 33 HB VAL 6 HB VAL 6 1.849 -7.425 -8.505 34 HG11 VAL 6 HG11 VAL 6 -0.200 -6.147 -9.156 35 HG12 VAL 6 HG12 VAL 6 0.764 -4.666 -9.269 36 HG13 VAL 6 HG13 VAL 6 1.044 -6.021 -10.389 37 HG21 VAL 6 HG21 VAL 6 4.004 -6.285 -8.386 38 HG22 VAL 6 HG22 VAL 6 3.293 -5.976 -9.959 39 HG23 VAL 6 HG23 VAL 6 3.235 -4.713 -8.706 40 H GLU 7 H GLU 7 1.257 -6.954 -4.488 41 HA GLU 7 HA GLU 7 -1.615 -7.527 -4.796 42 HB2 GLU 7 HB3 GLU 7 -0.826 -9.602 -5.595 43 HB3 GLU 7 HB2 GLU 7 0.291 -9.814 -4.269 44 HG2 GLU 7 HG3 GLU 7 -1.729 -9.901 -2.698 45 HG3 GLU 7 HG2 GLU 7 -2.761 -9.818 -4.123 46 HA PRO 8 HA PRO 8 -1.270 -7.817 -0.207 47 HB2 PRO 8 HB3 PRO 8 1.008 -8.146 1.274 48 HB3 PRO 8 HB2 PRO 8 0.173 -9.470 0.414 49 HG2 PRO 8 HG3 PRO 8 2.495 -7.811 -0.615 50 HG3 PRO 8 HG2 PRO 8 2.399 -9.598 -0.504 51 HD2 PRO 8 HD3 PRO 8 1.819 -8.333 -2.808 52 HD3 PRO 8 HD2 PRO 8 0.792 -9.681 -2.221 53 H ASP 9 H ASP 9 -1.812 -5.599 -0.802 54 HA ASP 9 HA ASP 9 -1.058 -4.206 1.652 55 HB2 ASP 9 HB2 ASP 9 0.492 -3.165 0.107 56 HB3 ASP 9 HB3 ASP 9 -0.828 -2.665 -0.947 57 H ILE 10 H ILE 10 -2.741 -2.995 -1.135 58 HA ILE 10 HA ILE 10 -5.095 -3.339 -1.623 59 HB ILE 10 HB ILE 10 -5.754 -3.941 0.751 60 HG12 ILE 10 HG13 ILE 10 -7.991 -3.013 0.702 61 HG13 ILE 10 HG12 ILE 10 -7.546 -1.882 -0.568 62 HG21 ILE 10 HG21 ILE 10 -6.059 -0.933 1.157 63 HG22 ILE 10 HG22 ILE 10 -6.322 -2.227 2.341 64 HG23 ILE 10 HG23 ILE 10 -4.682 -1.840 1.796 65 HD11 ILE 10 HD11 ILE 10 -7.429 -4.924 -0.826 66 HD12 ILE 10 HD12 ILE 10 -8.767 -3.901 -1.387 67 HD13 ILE 10 HD13 ILE 10 -7.174 -3.742 -2.135 68 H GLY 11 H GLY 11 -3.083 -0.902 -0.265 69 HA2 GLY 11 HA3 GLY 11 -2.573 1.012 -1.720 70 HA3 GLY 11 HA2 GLY 11 -4.296 1.179 -2.057 71 H GLN 12 H GLN 12 -2.281 0.864 0.878 72 HA GLN 12 HA GLN 12 -3.421 3.469 1.876 73 HB2 GLN 12 HB3 GLN 12 -2.981 0.957 3.503 74 HB3 GLN 12 HB2 GLN 12 -3.346 2.555 4.183 75 HG2 GLN 12 HG3 GLN 12 -5.465 2.569 2.795 76 HG3 GLN 12 HG2 GLN 12 -5.135 0.895 2.360 77 HE21 GLN 12 HE21 GLN 12 -4.068 0.723 5.508 78 HE22 GLN 12 HE22 GLN 12 -5.674 0.470 6.203 79 H THR 13 H THR 13 -0.797 1.252 3.037 80 HA THR 13 HA THR 13 0.830 3.343 3.967 81 HB THR 13 HB THR 13 1.898 0.690 2.946 82 HG1 THR 13 HG1 THR 13 1.321 0.622 5.526 83 HG21 THR 13 HG21 THR 13 3.378 0.831 4.928 84 HG22 THR 13 HG22 THR 13 2.702 2.423 5.324 85 HG23 THR 13 HG23 THR 13 3.647 2.199 3.835 86 H TYR 14 H TYR 14 0.465 2.222 0.738 87 HA TYR 14 HA TYR 14 1.530 4.379 -0.538 88 HB2 TYR 14 HB3 TYR 14 3.767 3.337 0.103 89 HB3 TYR 14 HB2 TYR 14 3.334 1.952 -0.874 90 HD1 TYR 14 HD1 TYR 14 2.318 5.005 -2.629 91 HD2 TYR 14 HD2 TYR 14 5.736 2.579 -1.552 92 HE1 TYR 14 HE1 TYR 14 3.434 5.568 -4.780 93 HE2 TYR 14 HE2 TYR 14 6.879 3.291 -3.621 94 HH TYR 14 HH TYR 14 6.005 3.700 -5.901 95 H PHE 15 H PHE 15 1.982 3.021 -3.122 96 HA PHE 15 HA PHE 15 -0.438 1.370 -3.594 97 HB2 PHE 15 HB3 PHE 15 0.213 3.965 -5.052 98 HB3 PHE 15 HB2 PHE 15 -1.014 2.802 -5.532 99 HD1 PHE 15 HD2 PHE 15 -3.069 2.478 -4.186 100 HD2 PHE 15 HD1 PHE 15 -0.172 5.504 -3.188 101 HE1 PHE 15 HE2 PHE 15 -4.733 3.593 -2.709 102 HE2 PHE 15 HE1 PHE 15 -1.825 6.592 -1.679 103 HZ PHE 15 HZ PHE 15 -4.108 5.624 -1.440 104 H GLU 16 H GLU 16 1.072 -0.195 -3.793 105 HA GLU 16 HA GLU 16 1.973 -0.976 -6.218 106 HB2 GLU 16 HB3 GLU 16 4.529 -0.935 -6.026 107 HB3 GLU 16 HB2 GLU 16 3.685 0.465 -6.611 108 HG2 GLU 16 HG3 GLU 16 3.969 1.649 -4.506 109 HG3 GLU 16 HG2 GLU 16 4.632 0.214 -3.746 110 H GLU 17 H GLU 17 1.623 -1.561 -3.076 111 HA GLU 17 HA GLU 17 1.108 -3.398 -1.927 112 HB2 GLU 17 HB3 GLU 17 0.667 -4.107 -4.812 113 HB3 GLU 17 HB2 GLU 17 0.054 -5.058 -3.479 114 HG2 GLU 17 HG3 GLU 17 -1.610 -3.568 -4.523 115 HG3 GLU 17 HG2 GLU 17 -1.488 -3.454 -2.792 116 H SER 18 H SER 18 3.373 -3.811 -1.036 117 HA SER 18 HA SER 18 4.313 -6.549 -1.887 118 HB2 SER 18 HB3 SER 18 6.565 -5.872 -1.088 119 HB3 SER 18 HB2 SER 18 5.960 -4.908 -2.433 120 HG SER 18 HG SER 18 5.489 -3.308 -1.171 121 H ARG 19 H ARG 19 2.972 -5.200 0.923 122 HA ARG 19 HA ARG 19 3.463 -7.630 2.322 123 HB2 ARG 19 HB3 ARG 19 4.764 -6.841 4.295 124 HB3 ARG 19 HB2 ARG 19 5.696 -6.971 2.823 125 HG2 ARG 19 HG3 ARG 19 5.822 -4.612 2.521 126 HG3 ARG 19 HG2 ARG 19 4.583 -4.283 3.737 127 HD2 ARG 19 HD3 ARG 19 7.220 -5.652 4.395 128 HD3 ARG 19 HD2 ARG 19 7.027 -3.909 4.443 129 HE ARG 19 HE ARG 19 5.635 -5.875 6.219 130 HH11 ARG 19 HH11 ARG 19 6.357 -2.421 5.707 131 HH12 ARG 19 HH12 ARG 19 5.610 -2.077 7.263 132 HH21 ARG 19 HH21 ARG 19 4.695 -5.152 8.139 133 HH22 ARG 19 HH22 ARG 19 4.675 -3.453 8.422 134 H ILE 20 H ILE 20 2.183 -4.350 2.636 135 HA ILE 20 HA ILE 20 0.361 -5.150 4.757 136 HB ILE 20 HB ILE 20 2.956 -4.712 5.555 137 HG12 ILE 20 HG13 ILE 20 1.236 -5.796 6.856 138 HG13 ILE 20 HG12 ILE 20 2.308 -4.747 7.761 139 HG21 ILE 20 HG21 ILE 20 3.184 -2.585 6.680 140 HG22 ILE 20 HG22 ILE 20 3.024 -2.384 4.930 141 HG23 ILE 20 HG23 ILE 20 1.676 -2.018 6.015 142 HD11 ILE 20 HD11 ILE 20 0.074 -4.565 8.630 143 HD12 ILE 20 HD12 ILE 20 0.559 -3.029 7.912 144 HD13 ILE 20 HD13 ILE 20 -0.577 -4.117 7.052 145 H ASN 21 H ASN 21 -0.902 -3.335 5.566 146 HA ASN 21 HA ASN 21 -1.058 -0.926 3.817 147 HB2 ASN 21 HB3 ASN 21 -3.561 -1.155 4.104 148 HB3 ASN 21 HB2 ASN 21 -2.767 -2.372 3.132 149 HD21 ASN 21 HD21 ASN 21 -4.035 -4.142 3.395 150 HD22 ASN 21 HD22 ASN 21 -4.456 -4.807 4.988 151 H GLN 22 H GLN 22 -0.083 -1.668 6.704 152 HA GLN 22 HA GLN 22 -0.839 0.872 7.977 153 HB2 GLN 22 HB3 GLN 22 -0.934 -1.865 9.320 154 HB3 GLN 22 HB2 GLN 22 -0.900 -0.350 10.220 155 HG2 GLN 22 HG3 GLN 22 -3.053 0.240 9.680 156 HG3 GLN 22 HG2 GLN 22 -3.065 -0.623 8.151 157 HE21 GLN 22 HE21 GLN 22 -3.551 -2.920 8.078 158 HE22 GLN 22 HE22 GLN 22 -4.237 -3.633 9.557 159 H ASP 23 H ASP 23 1.004 -0.239 10.275 160 HA ASP 23 HA ASP 23 3.543 0.618 9.490 161 HB2 ASP 23 HB3 ASP 23 2.803 -1.377 11.666 162 HB3 ASP 23 HB2 ASP 23 4.237 -0.360 11.609 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.489 -0.818 -2.114 2 HA2 GLY 1 HA3 GLY 1 2.054 0.351 -3.231 3 HA3 GLY 1 HA2 GLY 1 1.596 1.686 -2.210 4 H LEU 2 H LEU 2 2.746 1.608 -0.017 5 HA LEU 2 HA LEU 2 4.839 2.943 0.021 6 HB2 LEU 2 HB3 LEU 2 3.970 1.901 2.052 7 HB3 LEU 2 HB2 LEU 2 4.859 0.423 1.705 8 HG LEU 2 HG LEU 2 7.020 1.715 1.919 9 HD11 LEU 2 HD11 LEU 2 6.227 3.994 1.455 10 HD12 LEU 2 HD12 LEU 2 6.940 3.912 3.068 11 HD13 LEU 2 HD13 LEU 2 5.171 3.937 2.890 12 HD21 LEU 2 HD21 LEU 2 5.167 1.837 4.322 13 HD22 LEU 2 HD22 LEU 2 6.943 1.866 4.356 14 HD23 LEU 2 HD23 LEU 2 6.100 0.420 3.782 15 H SER 3 H SER 3 5.971 -0.382 0.021 16 HA SER 3 HA SER 3 7.622 -0.854 -1.941 17 HB2 SER 3 HB3 SER 3 9.911 -0.172 -1.502 18 HB3 SER 3 HB2 SER 3 8.897 1.239 -1.775 19 HG SER 3 HG SER 3 9.402 0.205 0.797 20 H GLN 4 H GLN 4 7.114 -2.890 -1.261 21 HA GLN 4 HA GLN 4 8.586 -4.162 1.008 22 HB2 GLN 4 HB3 GLN 4 6.673 -2.958 2.006 23 HB3 GLN 4 HB2 GLN 4 5.583 -3.729 0.871 24 HG2 GLN 4 HG3 GLN 4 5.372 -4.633 3.126 25 HG3 GLN 4 HG2 GLN 4 5.723 -5.827 1.905 26 HE21 GLN 4 HE21 GLN 4 7.756 -3.641 3.940 27 HE22 GLN 4 HE22 GLN 4 8.791 -4.966 4.522 28 H GLY 5 H GLY 5 6.990 -4.518 -2.015 29 HA2 GLY 5 HA3 GLY 5 5.663 -7.018 -1.122 30 HA3 GLY 5 HA2 GLY 5 4.872 -5.554 -1.694 31 H VAL 6 H VAL 6 3.744 -6.232 -3.329 32 HA VAL 6 HA VAL 6 4.874 -7.659 -5.644 33 HB VAL 6 HB VAL 6 2.636 -8.956 -4.020 34 HG11 VAL 6 HG11 VAL 6 2.866 -10.827 -5.643 35 HG12 VAL 6 HG12 VAL 6 2.349 -9.345 -6.437 36 HG13 VAL 6 HG13 VAL 6 4.040 -9.864 -6.572 37 HG21 VAL 6 HG21 VAL 6 5.497 -9.898 -4.444 38 HG22 VAL 6 HG22 VAL 6 4.763 -9.417 -2.903 39 HG23 VAL 6 HG23 VAL 6 4.191 -10.869 -3.723 40 H GLU 7 H GLU 7 1.839 -6.525 -4.058 41 HA GLU 7 HA GLU 7 0.784 -5.539 -6.621 42 HB2 GLU 7 HB3 GLU 7 0.277 -7.809 -6.904 43 HB3 GLU 7 HB2 GLU 7 -0.263 -8.028 -5.262 44 HG2 GLU 7 HG3 GLU 7 -2.241 -6.527 -5.771 45 HG3 GLU 7 HG2 GLU 7 -1.698 -6.489 -7.455 46 HA PRO 8 HA PRO 8 -1.972 -3.632 -3.480 47 HB2 PRO 8 HB3 PRO 8 -3.405 -5.269 -1.891 48 HB3 PRO 8 HB2 PRO 8 -3.318 -5.511 -3.658 49 HG2 PRO 8 HG3 PRO 8 -2.120 -7.202 -1.534 50 HG3 PRO 8 HG2 PRO 8 -2.386 -7.557 -3.271 51 HD2 PRO 8 HD3 PRO 8 -0.014 -6.356 -1.900 52 HD3 PRO 8 HD2 PRO 8 -0.058 -7.308 -3.379 53 H ASP 9 H ASP 9 -1.142 -2.060 -2.224 54 HA ASP 9 HA ASP 9 -0.836 -2.308 0.743 55 HB2 ASP 9 HB2 ASP 9 -1.595 0.072 -0.988 56 HB3 ASP 9 HB3 ASP 9 -1.372 0.109 0.745 57 H ILE 10 H ILE 10 -2.614 -1.812 2.115 58 HA ILE 10 HA ILE 10 -5.357 -1.898 1.015 59 HB ILE 10 HB ILE 10 -4.660 -1.281 3.899 60 HG12 ILE 10 HG13 ILE 10 -4.822 -4.043 2.606 61 HG13 ILE 10 HG12 ILE 10 -3.420 -3.328 3.407 62 HG21 ILE 10 HG21 ILE 10 -6.892 -2.178 4.306 63 HG22 ILE 10 HG22 ILE 10 -7.038 -1.007 3.008 64 HG23 ILE 10 HG23 ILE 10 -7.031 -2.739 2.622 65 HD11 ILE 10 HD11 ILE 10 -5.976 -4.245 4.751 66 HD12 ILE 10 HD12 ILE 10 -4.341 -4.898 4.918 67 HD13 ILE 10 HD13 ILE 10 -4.709 -3.285 5.559 68 H GLY 11 H GLY 11 -4.029 0.063 -0.237 69 HA2 GLY 11 HA3 GLY 11 -4.073 2.319 -0.827 70 HA3 GLY 11 HA2 GLY 11 -5.385 2.544 0.324 71 H GLN 12 H GLN 12 -2.510 1.295 1.692 72 HA GLN 12 HA GLN 12 -2.449 3.333 3.660 73 HB2 GLN 12 HB3 GLN 12 -0.501 1.102 2.978 74 HB3 GLN 12 HB2 GLN 12 -0.402 2.064 4.454 75 HG2 GLN 12 HG3 GLN 12 -2.251 1.113 5.433 76 HG3 GLN 12 HG2 GLN 12 -3.062 0.779 3.910 77 HE21 GLN 12 HE21 GLN 12 -1.719 -0.843 6.478 78 HE22 GLN 12 HE22 GLN 12 -1.415 -2.319 5.627 79 H THR 13 H THR 13 -0.550 3.137 0.709 80 HA THR 13 HA THR 13 0.462 5.860 1.273 81 HB THR 13 HB THR 13 2.453 3.646 0.632 82 HG1 THR 13 HG1 THR 13 1.449 4.651 2.935 83 HG21 THR 13 HG21 THR 13 4.143 5.392 1.060 84 HG22 THR 13 HG22 THR 13 2.861 6.595 1.314 85 HG23 THR 13 HG23 THR 13 3.104 5.868 -0.288 86 H TYR 14 H TYR 14 0.570 3.130 -0.967 87 HA TYR 14 HA TYR 14 -0.685 4.871 -2.976 88 HB2 TYR 14 HB3 TYR 14 0.811 2.664 -4.239 89 HB3 TYR 14 HB2 TYR 14 0.516 4.291 -4.798 90 HD1 TYR 14 HD1 TYR 14 1.959 6.096 -3.090 91 HD2 TYR 14 HD2 TYR 14 3.044 2.114 -4.345 92 HE1 TYR 14 HE1 TYR 14 4.341 6.515 -2.434 93 HE2 TYR 14 HE2 TYR 14 5.368 2.509 -3.621 94 HH TYR 14 HH TYR 14 6.605 3.862 -2.178 95 H PHE 15 H PHE 15 -1.457 2.658 -4.693 96 HA PHE 15 HA PHE 15 -2.678 0.673 -2.781 97 HB2 PHE 15 HB3 PHE 15 -3.550 1.547 -5.543 98 HB3 PHE 15 HB2 PHE 15 -4.037 0.016 -4.824 99 HD1 PHE 15 HD2 PHE 15 -5.484 -0.096 -2.845 100 HD2 PHE 15 HD1 PHE 15 -4.402 3.680 -4.610 101 HE1 PHE 15 HE2 PHE 15 -7.278 1.021 -1.541 102 HE2 PHE 15 HE1 PHE 15 -6.189 4.806 -3.293 103 HZ PHE 15 HZ PHE 15 -7.631 3.476 -1.759 104 H GLU 16 H GLU 16 -1.004 1.104 -5.838 105 HA GLU 16 HA GLU 16 -0.364 -1.621 -6.380 106 HB2 GLU 16 HB3 GLU 16 1.231 -0.563 -8.026 107 HB3 GLU 16 HB2 GLU 16 -0.471 -0.206 -8.210 108 HG2 GLU 16 HG3 GLU 16 1.377 1.761 -6.794 109 HG3 GLU 16 HG2 GLU 16 1.259 1.690 -8.543 110 H GLU 17 H GLU 17 0.559 -2.612 -4.732 111 HA GLU 17 HA GLU 17 2.550 -3.859 -4.999 112 HB2 GLU 17 HB3 GLU 17 3.963 -2.101 -5.729 113 HB3 GLU 17 HB2 GLU 17 4.136 -1.463 -4.096 114 HG2 GLU 17 HG3 GLU 17 4.910 -4.319 -4.587 115 HG3 GLU 17 HG2 GLU 17 5.889 -3.079 -5.351 116 H SER 18 H SER 18 2.508 -1.836 -2.037 117 HA SER 18 HA SER 18 3.721 -3.912 -0.561 118 HB2 SER 18 HB3 SER 18 2.571 -1.291 0.381 119 HB3 SER 18 HB2 SER 18 3.425 -2.427 1.435 120 HG SER 18 HG SER 18 4.781 -2.080 -0.905 121 H ARG 19 H ARG 19 2.251 -5.570 -0.911 122 HA ARG 19 HA ARG 19 0.110 -6.440 0.623 123 HB2 ARG 19 HB3 ARG 19 1.308 -8.708 0.656 124 HB3 ARG 19 HB2 ARG 19 1.006 -7.973 -0.887 125 HG2 ARG 19 HG3 ARG 19 3.131 -8.074 -1.475 126 HG3 ARG 19 HG2 ARG 19 3.642 -7.113 -0.096 127 HD2 ARG 19 HD3 ARG 19 3.248 -10.119 0.027 128 HD3 ARG 19 HD2 ARG 19 4.790 -9.325 -0.323 129 HE ARG 19 HE ARG 19 3.225 -8.829 2.180 130 HH11 ARG 19 HH11 ARG 19 6.462 -8.841 0.797 131 HH12 ARG 19 HH12 ARG 19 7.026 -8.023 2.213 132 HH21 ARG 19 HH21 ARG 19 4.075 -7.677 3.717 133 HH22 ARG 19 HH22 ARG 19 5.817 -7.581 3.832 134 H ILE 20 H ILE 20 0.270 -5.001 2.534 135 HA ILE 20 HA ILE 20 0.179 -4.841 4.790 136 HB ILE 20 HB ILE 20 1.052 -7.737 4.820 137 HG12 ILE 20 HG13 ILE 20 -1.590 -6.387 5.531 138 HG13 ILE 20 HG12 ILE 20 -1.239 -7.082 3.952 139 HG21 ILE 20 HG21 ILE 20 0.277 -6.059 7.226 140 HG22 ILE 20 HG22 ILE 20 0.563 -7.804 7.213 141 HG23 ILE 20 HG23 ILE 20 1.896 -6.704 6.899 142 HD11 ILE 20 HD11 ILE 20 -1.437 -8.614 6.566 143 HD12 ILE 20 HD12 ILE 20 -2.530 -8.674 5.178 144 HD13 ILE 20 HD13 ILE 20 -0.882 -9.316 5.024 145 H ASN 21 H ASN 21 1.334 -3.551 5.799 146 HA ASN 21 HA ASN 21 4.113 -3.845 6.552 147 HB2 ASN 21 HB3 ASN 21 4.125 -3.024 4.061 148 HB3 ASN 21 HB2 ASN 21 3.580 -1.488 4.686 149 HD21 ASN 21 HD21 ASN 21 5.234 -1.060 6.944 150 HD22 ASN 21 HD22 ASN 21 6.884 -1.020 6.293 151 H GLN 22 H GLN 22 1.059 -2.166 6.755 152 HA GLN 22 HA GLN 22 1.929 -0.349 8.903 153 HB2 GLN 22 HB3 GLN 22 0.708 0.606 6.272 154 HB3 GLN 22 HB2 GLN 22 0.838 1.589 7.738 155 HG2 GLN 22 HG3 GLN 22 3.296 1.416 7.677 156 HG3 GLN 22 HG2 GLN 22 3.217 0.412 6.229 157 HE21 GLN 22 HE21 GLN 22 2.059 1.456 4.241 158 HE22 GLN 22 HE22 GLN 22 2.486 3.158 4.060 159 H ASP 23 H ASP 23 0.712 -2.287 9.755 160 HA ASP 23 HA ASP 23 -2.237 -2.196 9.576 161 HB2 ASP 23 HB3 ASP 23 -0.414 -4.613 9.170 162 HB3 ASP 23 HB2 ASP 23 -2.171 -4.617 9.146 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.354 -0.886 1.154 2 HA2 GLY 1 HA3 GLY 1 1.614 -0.086 -1.708 3 HA3 GLY 1 HA2 GLY 1 1.572 1.100 -0.410 4 H LEU 2 H LEU 2 3.424 1.651 0.671 5 HA LEU 2 HA LEU 2 5.527 2.152 0.920 6 HB2 LEU 2 HB3 LEU 2 5.618 0.085 2.142 7 HB3 LEU 2 HB2 LEU 2 6.030 -0.825 0.684 8 HG LEU 2 HG LEU 2 8.183 0.358 0.524 9 HD11 LEU 2 HD11 LEU 2 7.667 2.542 1.528 10 HD12 LEU 2 HD12 LEU 2 8.958 1.773 2.451 11 HD13 LEU 2 HD13 LEU 2 7.296 1.787 3.080 12 HD21 LEU 2 HD21 LEU 2 9.244 -0.648 2.459 13 HD22 LEU 2 HD22 LEU 2 7.941 -1.712 1.904 14 HD23 LEU 2 HD23 LEU 2 7.702 -0.689 3.339 15 H SER 3 H SER 3 5.739 -0.215 -1.684 16 HA SER 3 HA SER 3 6.050 0.530 -4.016 17 HB2 SER 3 HB3 SER 3 8.442 2.086 -3.028 18 HB3 SER 3 HB2 SER 3 8.015 1.788 -4.721 19 HG SER 3 HG SER 3 6.559 3.202 -2.786 20 H GLN 4 H GLN 4 6.309 -1.910 -3.103 21 HA GLN 4 HA GLN 4 8.843 -2.828 -4.390 22 HB2 GLN 4 HB3 GLN 4 7.898 -4.002 -1.763 23 HB3 GLN 4 HB2 GLN 4 9.329 -4.437 -2.679 24 HG2 GLN 4 HG3 GLN 4 10.239 -2.132 -2.281 25 HG3 GLN 4 HG2 GLN 4 8.858 -1.812 -1.216 26 HE21 GLN 4 HE21 GLN 4 8.551 -3.572 0.646 27 HE22 GLN 4 HE22 GLN 4 10.111 -4.068 1.320 28 H GLY 5 H GLY 5 5.802 -2.927 -5.164 29 HA2 GLY 5 HA3 GLY 5 5.802 -5.631 -6.203 30 HA3 GLY 5 HA2 GLY 5 4.699 -5.457 -4.845 31 H VAL 6 H VAL 6 2.866 -5.817 -6.098 32 HA VAL 6 HA VAL 6 1.929 -3.720 -7.954 33 HB VAL 6 HB VAL 6 1.237 -5.338 -9.680 34 HG11 VAL 6 HG11 VAL 6 3.346 -5.671 -10.748 35 HG12 VAL 6 HG12 VAL 6 3.377 -4.115 -9.897 36 HG13 VAL 6 HG13 VAL 6 4.227 -5.515 -9.212 37 HG21 VAL 6 HG21 VAL 6 1.153 -7.405 -8.296 38 HG22 VAL 6 HG22 VAL 6 2.133 -7.606 -9.754 39 HG23 VAL 6 HG23 VAL 6 2.927 -7.391 -8.178 40 H GLU 7 H GLU 7 1.221 -4.843 -5.275 41 HA GLU 7 HA GLU 7 -0.810 -4.191 -4.284 42 HB2 GLU 7 HB3 GLU 7 -2.289 -4.254 -6.228 43 HB3 GLU 7 HB2 GLU 7 -2.324 -6.034 -6.153 44 HG2 GLU 7 HG3 GLU 7 -3.310 -5.904 -3.875 45 HG3 GLU 7 HG2 GLU 7 -3.192 -4.150 -3.909 46 HA PRO 8 HA PRO 8 -2.380 -6.953 -2.068 47 HB2 PRO 8 HB3 PRO 8 -1.096 -7.964 0.023 48 HB3 PRO 8 HB2 PRO 8 -0.614 -8.490 -1.622 49 HG2 PRO 8 HG3 PRO 8 0.693 -6.394 0.133 50 HG3 PRO 8 HG2 PRO 8 1.483 -7.703 -0.801 51 HD2 PRO 8 HD3 PRO 8 1.052 -5.041 -1.698 52 HD3 PRO 8 HD2 PRO 8 1.443 -6.443 -2.730 53 H ASP 9 H ASP 9 -0.888 -3.981 -1.303 54 HA ASP 9 HA ASP 9 -2.199 -3.703 1.316 55 HB2 ASP 9 HB2 ASP 9 -0.853 -1.739 1.619 56 HB3 ASP 9 HB3 ASP 9 0.077 -3.172 1.272 57 H ILE 10 H ILE 10 -3.326 -3.259 -1.650 58 HA ILE 10 HA ILE 10 -5.241 -2.296 -2.468 59 HB ILE 10 HB ILE 10 -7.111 -3.070 -1.109 60 HG12 ILE 10 HG13 ILE 10 -5.111 -3.827 1.068 61 HG13 ILE 10 HG12 ILE 10 -6.100 -2.368 1.142 62 HG21 ILE 10 HG21 ILE 10 -5.778 -4.604 -2.516 63 HG22 ILE 10 HG22 ILE 10 -4.802 -5.048 -1.100 64 HG23 ILE 10 HG23 ILE 10 -6.535 -5.415 -1.150 65 HD11 ILE 10 HD11 ILE 10 -7.151 -4.107 2.442 66 HD12 ILE 10 HD12 ILE 10 -8.160 -3.761 1.023 67 HD13 ILE 10 HD13 ILE 10 -7.144 -5.224 1.067 68 H GLY 11 H GLY 11 -3.817 -0.021 -1.168 69 HA2 GLY 11 HA3 GLY 11 -4.339 2.246 -0.810 70 HA3 GLY 11 HA2 GLY 11 -6.055 1.883 -0.984 71 H GLN 12 H GLN 12 -4.740 -0.204 1.285 72 HA GLN 12 HA GLN 12 -5.457 1.322 3.710 73 HB2 GLN 12 HB3 GLN 12 -5.757 -1.168 3.499 74 HB3 GLN 12 HB2 GLN 12 -4.002 -1.337 3.373 75 HG2 GLN 12 HG3 GLN 12 -3.738 -0.401 5.650 76 HG3 GLN 12 HG2 GLN 12 -5.484 -0.130 5.752 77 HE21 GLN 12 HE21 GLN 12 -3.259 -2.892 4.894 78 HE22 GLN 12 HE22 GLN 12 -4.216 -4.023 5.888 79 H THR 13 H THR 13 -2.720 0.648 1.699 80 HA THR 13 HA THR 13 -1.476 3.068 2.877 81 HB THR 13 HB THR 13 0.187 0.684 2.009 82 HG1 THR 13 HG1 THR 13 0.816 1.758 4.360 83 HG21 THR 13 HG21 THR 13 1.118 3.413 2.996 84 HG22 THR 13 HG22 THR 13 1.260 2.832 1.331 85 HG23 THR 13 HG23 THR 13 2.152 2.023 2.614 86 H TYR 14 H TYR 14 -0.377 1.112 0.140 87 HA TYR 14 HA TYR 14 -1.745 2.830 -1.829 88 HB2 TYR 14 HB3 TYR 14 1.035 2.011 -2.536 89 HB3 TYR 14 HB2 TYR 14 0.082 3.345 -3.132 90 HD1 TYR 14 HD1 TYR 14 -0.491 5.026 -0.815 91 HD2 TYR 14 HD2 TYR 14 3.058 2.764 -1.756 92 HE1 TYR 14 HE1 TYR 14 0.819 6.359 0.846 93 HE2 TYR 14 HE2 TYR 14 4.339 4.090 -0.048 94 HH TYR 14 HH TYR 14 3.858 5.318 2.012 95 H PHE 15 H PHE 15 -0.256 1.124 -4.010 96 HA PHE 15 HA PHE 15 -1.764 -1.422 -3.621 97 HB2 PHE 15 HB3 PHE 15 -1.761 0.403 -6.051 98 HB3 PHE 15 HB2 PHE 15 -2.507 -1.186 -5.965 99 HD1 PHE 15 HD2 PHE 15 -2.751 2.317 -4.762 100 HD2 PHE 15 HD1 PHE 15 -4.639 -1.550 -4.903 101 HE1 PHE 15 HE2 PHE 15 -4.866 3.317 -3.909 102 HE2 PHE 15 HE1 PHE 15 -6.748 -0.562 -4.080 103 HZ PHE 15 HZ PHE 15 -6.873 1.874 -3.567 104 H GLU 16 H GLU 16 0.830 -1.493 -3.044 105 HA GLU 16 HA GLU 16 2.180 -2.609 -5.449 106 HB2 GLU 16 HB3 GLU 16 4.244 -1.377 -3.904 107 HB3 GLU 16 HB2 GLU 16 3.870 -1.240 -5.589 108 HG2 GLU 16 HG3 GLU 16 2.666 0.482 -3.387 109 HG3 GLU 16 HG2 GLU 16 4.041 0.913 -4.351 110 H GLU 17 H GLU 17 3.256 -2.225 -2.034 111 HA GLU 17 HA GLU 17 3.187 -5.162 -1.662 112 HB2 GLU 17 HB3 GLU 17 5.327 -4.819 -2.567 113 HB3 GLU 17 HB2 GLU 17 5.701 -3.507 -1.472 114 HG2 GLU 17 HG3 GLU 17 5.038 -6.268 -0.367 115 HG3 GLU 17 HG2 GLU 17 6.579 -6.045 -1.175 116 H SER 18 H SER 18 4.951 -3.011 0.471 117 HA SER 18 HA SER 18 4.837 -2.811 2.709 118 HB2 SER 18 HB3 SER 18 1.872 -2.498 2.144 119 HB3 SER 18 HB2 SER 18 2.554 -2.346 3.744 120 HG SER 18 HG SER 18 3.785 -0.906 1.723 121 H ARG 19 H ARG 19 3.608 -3.700 4.780 122 HA ARG 19 HA ARG 19 3.275 -6.659 4.514 123 HB2 ARG 19 HB3 ARG 19 3.613 -4.966 7.010 124 HB3 ARG 19 HB2 ARG 19 3.656 -6.723 6.919 125 HG2 ARG 19 HG3 ARG 19 5.724 -4.836 5.649 126 HG3 ARG 19 HG2 ARG 19 5.875 -5.629 7.195 127 HD2 ARG 19 HD3 ARG 19 7.197 -6.850 5.696 128 HD3 ARG 19 HD2 ARG 19 5.810 -7.857 6.075 129 HE ARG 19 HE ARG 19 6.296 -6.394 3.452 130 HH11 ARG 19 HH11 ARG 19 4.545 -8.962 5.041 131 HH12 ARG 19 HH12 ARG 19 4.105 -9.668 3.492 132 HH21 ARG 19 HH21 ARG 19 5.695 -7.220 1.742 133 HH22 ARG 19 HH22 ARG 19 4.635 -8.600 1.578 134 H ILE 20 H ILE 20 1.434 -5.559 3.286 135 HA ILE 20 HA ILE 20 -0.536 -4.761 2.836 136 HB ILE 20 HB ILE 20 -2.542 -5.494 3.756 137 HG12 ILE 20 HG13 ILE 20 -1.132 -6.954 6.017 138 HG13 ILE 20 HG12 ILE 20 -1.845 -5.351 6.224 139 HG21 ILE 20 HG21 ILE 20 -1.170 -6.987 2.310 140 HG22 ILE 20 HG22 ILE 20 -0.569 -7.816 3.766 141 HG23 ILE 20 HG23 ILE 20 -2.296 -7.860 3.343 142 HD11 ILE 20 HD11 ILE 20 -4.057 -6.244 5.514 143 HD12 ILE 20 HD12 ILE 20 -3.344 -7.872 5.413 144 HD13 ILE 20 HD13 ILE 20 -3.417 -7.031 6.970 145 H ASN 21 H ASN 21 0.586 -3.793 5.983 146 HA ASN 21 HA ASN 21 0.116 -1.124 4.870 147 HB2 ASN 21 HB3 ASN 21 -1.461 -0.816 6.562 148 HB3 ASN 21 HB2 ASN 21 -0.658 -1.937 7.669 149 HD21 ASN 21 HD21 ASN 21 -0.365 1.410 6.285 150 HD22 ASN 21 HD22 ASN 21 0.719 1.952 7.540 151 H GLN 22 H GLN 22 1.860 0.126 5.049 152 HA GLN 22 HA GLN 22 3.683 0.030 7.175 153 HB2 GLN 22 HB3 GLN 22 4.834 0.040 4.343 154 HB3 GLN 22 HB2 GLN 22 5.732 0.454 5.789 155 HG2 GLN 22 HG3 GLN 22 4.624 -2.309 5.197 156 HG3 GLN 22 HG2 GLN 22 6.262 -1.786 4.884 157 HE21 GLN 22 HE21 GLN 22 3.930 -2.152 7.644 158 HE22 GLN 22 HE22 GLN 22 5.256 -2.423 8.797 159 H ASP 23 H ASP 23 4.942 2.232 6.932 160 HA ASP 23 HA ASP 23 4.729 4.455 7.073 161 HB2 ASP 23 HB3 ASP 23 2.825 4.509 4.739 162 HB3 ASP 23 HB2 ASP 23 3.903 5.765 5.308 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.692 -0.314 -2.493 2 HA2 GLY 1 HA3 GLY 1 1.698 1.759 -2.255 3 HA3 GLY 1 HA2 GLY 1 0.428 2.284 -1.171 4 H LEU 2 H LEU 2 3.307 2.496 -1.100 5 HA LEU 2 HA LEU 2 4.092 3.563 0.822 6 HB2 LEU 2 HB3 LEU 2 2.405 2.417 2.308 7 HB3 LEU 2 HB2 LEU 2 3.570 1.117 2.507 8 HG LEU 2 HG LEU 2 5.153 2.741 3.579 9 HD11 LEU 2 HD11 LEU 2 4.236 4.940 4.302 10 HD12 LEU 2 HD12 LEU 2 2.824 4.681 3.249 11 HD13 LEU 2 HD13 LEU 2 4.452 4.852 2.552 12 HD21 LEU 2 HD21 LEU 2 3.870 2.978 5.646 13 HD22 LEU 2 HD22 LEU 2 3.571 1.401 4.910 14 HD23 LEU 2 HD23 LEU 2 2.350 2.686 4.764 15 H SER 3 H SER 3 5.315 2.135 -1.339 16 HA SER 3 HA SER 3 7.336 1.631 -2.092 17 HB2 SER 3 HB3 SER 3 9.382 2.277 -0.966 18 HB3 SER 3 HB2 SER 3 8.180 3.555 -1.151 19 HG SER 3 HG SER 3 7.802 2.374 1.205 20 H GLN 4 H GLN 4 6.515 -0.431 -2.138 21 HA GLN 4 HA GLN 4 8.515 -2.386 -1.155 22 HB2 GLN 4 HB3 GLN 4 5.559 -3.063 -1.010 23 HB3 GLN 4 HB2 GLN 4 6.883 -4.143 -0.647 24 HG2 GLN 4 HG3 GLN 4 6.311 -1.640 0.990 25 HG3 GLN 4 HG2 GLN 4 5.560 -3.192 1.295 26 HE21 GLN 4 HE21 GLN 4 8.758 -1.581 1.245 27 HE22 GLN 4 HE22 GLN 4 9.429 -2.733 2.418 28 H GLY 5 H GLY 5 5.878 -1.569 -3.398 29 HA2 GLY 5 HA3 GLY 5 5.288 -2.287 -5.481 30 HA3 GLY 5 HA2 GLY 5 6.844 -3.105 -5.627 31 H VAL 6 H VAL 6 4.504 -4.098 -6.649 32 HA VAL 6 HA VAL 6 3.679 -6.096 -7.231 33 HB VAL 6 HB VAL 6 5.579 -7.343 -5.214 34 HG11 VAL 6 HG11 VAL 6 5.511 -9.301 -6.753 35 HG12 VAL 6 HG12 VAL 6 3.952 -8.990 -5.996 36 HG13 VAL 6 HG13 VAL 6 4.218 -8.502 -7.683 37 HG21 VAL 6 HG21 VAL 6 6.849 -5.948 -6.784 38 HG22 VAL 6 HG22 VAL 6 7.089 -7.646 -7.174 39 HG23 VAL 6 HG23 VAL 6 5.981 -6.662 -8.162 40 H GLU 7 H GLU 7 3.623 -5.685 -3.734 41 HA GLU 7 HA GLU 7 1.721 -7.806 -3.248 42 HB2 GLU 7 HB3 GLU 7 2.666 -5.484 -1.555 43 HB3 GLU 7 HB2 GLU 7 1.762 -6.870 -0.934 44 HG2 GLU 7 HG3 GLU 7 3.574 -8.388 -1.525 45 HG3 GLU 7 HG2 GLU 7 4.522 -7.056 -2.198 46 HA PRO 8 HA PRO 8 -2.136 -5.651 -3.694 47 HB2 PRO 8 HB3 PRO 8 -3.833 -6.862 -1.939 48 HB3 PRO 8 HB2 PRO 8 -3.132 -7.706 -3.353 49 HG2 PRO 8 HG3 PRO 8 -2.134 -7.759 -0.483 50 HG3 PRO 8 HG2 PRO 8 -2.444 -9.149 -1.570 51 HD2 PRO 8 HD3 PRO 8 0.040 -8.094 -1.243 52 HD3 PRO 8 HD2 PRO 8 -0.498 -8.713 -2.831 53 H ASP 9 H ASP 9 -1.731 -3.540 -3.142 54 HA ASP 9 HA ASP 9 -1.457 -2.561 -0.462 55 HB2 ASP 9 HB2 ASP 9 -0.886 -1.545 -2.870 56 HB3 ASP 9 HB3 ASP 9 -2.417 -0.751 -2.649 57 H ILE 10 H ILE 10 -3.078 -3.085 0.916 58 HA ILE 10 HA ILE 10 -5.884 -2.696 0.310 59 HB ILE 10 HB ILE 10 -4.650 -3.128 3.047 60 HG12 ILE 10 HG13 ILE 10 -3.800 -4.916 1.689 61 HG13 ILE 10 HG12 ILE 10 -5.069 -5.547 2.704 62 HG21 ILE 10 HG21 ILE 10 -7.017 -2.526 3.188 63 HG22 ILE 10 HG22 ILE 10 -7.438 -3.703 1.933 64 HG23 ILE 10 HG23 ILE 10 -6.844 -4.245 3.520 65 HD11 ILE 10 HD11 ILE 10 -5.348 -4.914 -0.267 66 HD12 ILE 10 HD12 ILE 10 -5.179 -6.513 0.467 67 HD13 ILE 10 HD13 ILE 10 -6.640 -5.560 0.775 68 H GLY 11 H GLY 11 -5.142 -0.475 -0.482 69 HA2 GLY 11 HA3 GLY 11 -5.551 1.791 -0.470 70 HA3 GLY 11 HA2 GLY 11 -6.466 1.585 1.024 71 H GLN 12 H GLN 12 -3.376 0.444 1.626 72 HA GLN 12 HA GLN 12 -2.896 2.592 3.437 73 HB2 GLN 12 HB3 GLN 12 -0.973 1.358 4.192 74 HB3 GLN 12 HB2 GLN 12 -2.400 0.360 4.009 75 HG2 GLN 12 HG3 GLN 12 -1.068 -0.015 1.571 76 HG3 GLN 12 HG2 GLN 12 0.246 0.135 2.737 77 HE21 GLN 12 HE21 GLN 12 -0.616 -2.351 1.203 78 HE22 GLN 12 HE22 GLN 12 -1.172 -3.449 2.463 79 H THR 13 H THR 13 -1.819 2.312 0.177 80 HA THR 13 HA THR 13 -1.754 5.148 0.443 81 HB THR 13 HB THR 13 0.696 4.452 -1.138 82 HG1 THR 13 HG1 THR 13 0.494 4.270 1.627 83 HG21 THR 13 HG21 THR 13 0.034 6.729 0.773 84 HG22 THR 13 HG22 THR 13 -0.178 6.779 -0.993 85 HG23 THR 13 HG23 THR 13 1.446 6.616 -0.301 86 H TYR 14 H TYR 14 -1.496 2.366 -1.745 87 HA TYR 14 HA TYR 14 -2.445 4.029 -4.030 88 HB2 TYR 14 HB3 TYR 14 0.013 2.259 -4.205 89 HB3 TYR 14 HB2 TYR 14 -0.684 3.221 -5.499 90 HD1 TYR 14 HD2 TYR 14 -1.028 5.905 -4.206 91 HD2 TYR 14 HD1 TYR 14 2.177 3.020 -3.970 92 HE1 TYR 14 HE2 TYR 14 0.585 7.712 -3.606 93 HE2 TYR 14 HE1 TYR 14 3.745 4.783 -3.334 94 HH TYR 14 HH TYR 14 3.981 6.975 -2.845 95 H PHE 15 H PHE 15 -1.117 0.955 -4.799 96 HA PHE 15 HA PHE 15 -3.596 -0.584 -4.607 97 HB2 PHE 15 HB3 PHE 15 -3.591 -0.894 -7.192 98 HB3 PHE 15 HB2 PHE 15 -4.388 0.478 -6.456 99 HD1 PHE 15 HD2 PHE 15 -1.422 -0.546 -8.477 100 HD2 PHE 15 HD1 PHE 15 -3.650 2.746 -6.791 101 HE1 PHE 15 HE2 PHE 15 -0.112 1.032 -9.830 102 HE2 PHE 15 HE1 PHE 15 -2.317 4.340 -8.157 103 HZ PHE 15 HZ PHE 15 -0.534 3.480 -9.676 104 H GLU 16 H GLU 16 -0.200 -0.487 -5.794 105 HA GLU 16 HA GLU 16 -0.129 -3.455 -5.541 106 HB2 GLU 16 HB3 GLU 16 1.325 -3.539 -7.438 107 HB3 GLU 16 HB2 GLU 16 -0.200 -2.762 -7.826 108 HG2 GLU 16 HG3 GLU 16 0.937 -0.518 -7.675 109 HG3 GLU 16 HG2 GLU 16 2.469 -1.337 -7.404 110 H GLU 17 H GLU 17 0.527 -2.298 -3.203 111 HA GLU 17 HA GLU 17 3.174 -3.260 -2.845 112 HB2 GLU 17 HB3 GLU 17 3.066 -0.581 -1.573 113 HB3 GLU 17 HB2 GLU 17 4.417 -1.484 -2.160 114 HG2 GLU 17 HG3 GLU 17 3.842 -0.722 -4.502 115 HG3 GLU 17 HG2 GLU 17 2.527 0.254 -3.814 116 H SER 18 H SER 18 3.748 -3.666 -0.604 117 HA SER 18 HA SER 18 3.558 -4.018 1.567 118 HB2 SER 18 HB3 SER 18 1.484 -1.834 1.737 119 HB3 SER 18 HB2 SER 18 2.469 -2.478 3.055 120 HG SER 18 HG SER 18 2.957 -0.580 1.256 121 H ARG 19 H ARG 19 1.845 -4.339 3.469 122 HA ARG 19 HA ARG 19 0.232 -6.607 2.373 123 HB2 ARG 19 HB3 ARG 19 1.928 -6.299 4.897 124 HB3 ARG 19 HB2 ARG 19 0.919 -7.717 4.550 125 HG2 ARG 19 HG3 ARG 19 2.181 -8.269 2.592 126 HG3 ARG 19 HG2 ARG 19 3.041 -6.740 2.591 127 HD2 ARG 19 HD3 ARG 19 3.366 -8.780 4.810 128 HD3 ARG 19 HD2 ARG 19 4.342 -8.773 3.339 129 HE ARG 19 HE ARG 19 4.688 -7.014 5.626 130 HH11 ARG 19 HH11 ARG 19 5.202 -6.957 2.064 131 HH12 ARG 19 HH12 ARG 19 6.423 -5.759 2.293 132 HH21 ARG 19 HH21 ARG 19 6.359 -5.668 5.672 133 HH22 ARG 19 HH22 ARG 19 7.058 -5.087 4.130 134 H ILE 20 H ILE 20 0.029 -5.841 5.704 135 HA ILE 20 HA ILE 20 -2.165 -3.932 5.400 136 HB ILE 20 HB ILE 20 -2.498 -6.379 7.196 137 HG12 ILE 20 HG13 ILE 20 -4.152 -5.420 4.817 138 HG13 ILE 20 HG12 ILE 20 -3.071 -6.814 4.810 139 HG21 ILE 20 HG21 ILE 20 -3.240 -4.246 8.267 140 HG22 ILE 20 HG22 ILE 20 -4.259 -3.897 6.853 141 HG23 ILE 20 HG23 ILE 20 -4.605 -5.286 7.911 142 HD11 ILE 20 HD11 ILE 20 -5.656 -6.570 6.378 143 HD12 ILE 20 HD12 ILE 20 -5.292 -7.641 5.019 144 HD13 ILE 20 HD13 ILE 20 -4.477 -7.894 6.577 145 H ASN 21 H ASN 21 -0.805 -2.425 6.032 146 HA ASN 21 HA ASN 21 0.916 -1.315 6.993 147 HB2 ASN 21 HB3 ASN 21 -0.039 -1.907 9.276 148 HB3 ASN 21 HB2 ASN 21 1.055 -3.294 9.300 149 HD21 ASN 21 HD21 ASN 21 2.922 -2.863 10.525 150 HD22 ASN 21 HD22 ASN 21 3.664 -1.309 10.521 151 H GLN 22 H GLN 22 3.251 -2.823 8.193 152 HA GLN 22 HA GLN 22 4.137 -4.304 5.756 153 HB2 GLN 22 HB3 GLN 22 5.616 -2.015 7.117 154 HB3 GLN 22 HB2 GLN 22 6.318 -3.102 5.907 155 HG2 GLN 22 HG3 GLN 22 4.498 -2.436 4.312 156 HG3 GLN 22 HG2 GLN 22 3.946 -1.230 5.485 157 HE21 GLN 22 HE21 GLN 22 4.956 -0.842 2.731 158 HE22 GLN 22 HE22 GLN 22 6.282 0.298 2.962 159 H ASP 23 H ASP 23 5.157 -3.372 9.066 160 HA ASP 23 HA ASP 23 4.793 -6.093 9.922 161 HB2 ASP 23 HB3 ASP 23 7.304 -5.834 9.575 162 HB3 ASP 23 HB2 ASP 23 7.289 -4.567 10.788 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -0.337 -1.361 -1.208 2 HA2 GLY 1 HA3 GLY 1 0.204 0.608 0.283 3 HA3 GLY 1 HA2 GLY 1 0.195 -0.548 1.620 4 H LEU 2 H LEU 2 2.218 1.118 0.773 5 HA LEU 2 HA LEU 2 4.449 1.315 0.256 6 HB2 LEU 2 HB3 LEU 2 3.707 1.415 2.592 7 HB3 LEU 2 HB2 LEU 2 4.065 -0.287 2.790 8 HG LEU 2 HG LEU 2 6.489 0.207 2.481 9 HD11 LEU 2 HD11 LEU 2 7.245 2.573 2.562 10 HD12 LEU 2 HD12 LEU 2 5.557 3.115 2.409 11 HD13 LEU 2 HD13 LEU 2 6.348 2.255 1.074 12 HD21 LEU 2 HD21 LEU 2 5.119 1.940 4.578 13 HD22 LEU 2 HD22 LEU 2 6.801 1.347 4.623 14 HD23 LEU 2 HD23 LEU 2 5.458 0.209 4.727 15 H SER 3 H SER 3 6.368 0.737 -0.435 16 HA SER 3 HA SER 3 8.312 -0.351 -0.797 17 HB2 SER 3 HB3 SER 3 8.274 -0.845 1.534 18 HB3 SER 3 HB2 SER 3 7.228 -2.242 1.289 19 HG SER 3 HG SER 3 9.020 -2.965 -0.138 20 H GLN 4 H GLN 4 6.600 -0.688 -2.793 21 HA GLN 4 HA GLN 4 6.054 -2.028 -4.633 22 HB2 GLN 4 HB3 GLN 4 8.109 -1.970 -5.979 23 HB3 GLN 4 HB2 GLN 4 7.609 -0.496 -5.197 24 HG2 GLN 4 HG3 GLN 4 9.455 -1.569 -3.350 25 HG3 GLN 4 HG2 GLN 4 10.106 -2.046 -4.901 26 HE21 GLN 4 HE21 GLN 4 8.389 1.032 -3.750 27 HE22 GLN 4 HE22 GLN 4 9.769 2.001 -4.270 28 H GLY 5 H GLY 5 5.119 -3.891 -4.206 29 HA2 GLY 5 HA3 GLY 5 6.809 -6.378 -4.301 30 HA3 GLY 5 HA2 GLY 5 5.290 -6.255 -3.418 31 H VAL 6 H VAL 6 3.362 -6.505 -4.516 32 HA VAL 6 HA VAL 6 3.087 -6.809 -7.351 33 HB VAL 6 HB VAL 6 4.564 -8.731 -7.057 34 HG11 VAL 6 HG11 VAL 6 3.986 -10.726 -5.846 35 HG12 VAL 6 HG12 VAL 6 4.010 -9.363 -4.719 36 HG13 VAL 6 HG13 VAL 6 2.461 -10.023 -5.292 37 HG21 VAL 6 HG21 VAL 6 2.812 -8.810 -8.803 38 HG22 VAL 6 HG22 VAL 6 3.343 -10.405 -8.229 39 HG23 VAL 6 HG23 VAL 6 1.786 -9.745 -7.695 40 H GLU 7 H GLU 7 1.711 -7.582 -4.149 41 HA GLU 7 HA GLU 7 -1.008 -7.688 -5.327 42 HB2 GLU 7 HB3 GLU 7 -0.120 -9.881 -5.821 43 HB3 GLU 7 HB2 GLU 7 0.357 -10.133 -4.154 44 HG2 GLU 7 HG3 GLU 7 -2.056 -10.091 -3.479 45 HG3 GLU 7 HG2 GLU 7 -2.496 -9.879 -5.180 46 HA PRO 8 HA PRO 8 -1.970 -8.454 -0.901 47 HB2 PRO 8 HB3 PRO 8 -0.265 -8.752 1.183 48 HB3 PRO 8 HB2 PRO 8 -0.399 -9.972 -0.114 49 HG2 PRO 8 HG3 PRO 8 1.625 -7.699 0.049 50 HG3 PRO 8 HG2 PRO 8 1.961 -9.454 -0.126 51 HD2 PRO 8 HD3 PRO 8 1.822 -7.846 -2.295 52 HD3 PRO 8 HD2 PRO 8 1.139 -9.496 -2.324 53 H ASP 9 H ASP 9 -2.538 -6.117 -1.554 54 HA ASP 9 HA ASP 9 -2.623 -4.533 0.907 55 HB2 ASP 9 HB2 ASP 9 -0.449 -3.974 -0.472 56 HB3 ASP 9 HB3 ASP 9 -1.561 -3.157 -1.561 57 H ILE 10 H ILE 10 -3.754 -2.344 0.208 58 HA ILE 10 HA ILE 10 -5.638 -2.565 -2.076 59 HB ILE 10 HB ILE 10 -7.412 -1.450 -0.800 60 HG12 ILE 10 HG13 ILE 10 -5.703 -1.930 1.690 61 HG13 ILE 10 HG12 ILE 10 -5.951 -0.362 0.916 62 HG21 ILE 10 HG21 ILE 10 -8.220 -3.406 0.357 63 HG22 ILE 10 HG22 ILE 10 -7.290 -3.944 -1.050 64 HG23 ILE 10 HG23 ILE 10 -6.570 -4.035 0.565 65 HD11 ILE 10 HD11 ILE 10 -7.415 -0.524 2.815 66 HD12 ILE 10 HD12 ILE 10 -8.400 -0.543 1.337 67 HD13 ILE 10 HD13 ILE 10 -8.102 -2.051 2.240 68 H GLY 11 H GLY 11 -2.960 -1.241 -1.518 69 HA2 GLY 11 HA3 GLY 11 -1.888 0.695 -2.102 70 HA3 GLY 11 HA2 GLY 11 -3.421 1.381 -2.621 71 H GLN 12 H GLN 12 -3.056 0.229 0.675 72 HA GLN 12 HA GLN 12 -4.374 2.525 1.626 73 HB2 GLN 12 HB3 GLN 12 -4.328 1.497 3.762 74 HB3 GLN 12 HB2 GLN 12 -4.438 0.217 2.562 75 HG2 GLN 12 HG3 GLN 12 -1.848 0.008 2.811 76 HG3 GLN 12 HG2 GLN 12 -2.040 1.009 4.254 77 HE21 GLN 12 HE21 GLN 12 -2.720 -2.109 2.784 78 HE22 GLN 12 HE22 GLN 12 -3.230 -2.863 4.327 79 H THR 13 H THR 13 -1.203 2.587 0.905 80 HA THR 13 HA THR 13 -0.652 4.985 2.578 81 HB THR 13 HB THR 13 1.798 4.226 2.689 82 HG1 THR 13 HG1 THR 13 1.604 1.767 2.975 83 HG21 THR 13 HG21 THR 13 0.332 4.259 4.687 84 HG22 THR 13 HG22 THR 13 1.498 2.921 4.721 85 HG23 THR 13 HG23 THR 13 -0.206 2.609 4.314 86 H TYR 14 H TYR 14 0.915 2.983 0.119 87 HA TYR 14 HA TYR 14 0.334 4.995 -1.952 88 HB2 TYR 14 HB3 TYR 14 2.970 3.500 -1.915 89 HB3 TYR 14 HB2 TYR 14 2.499 4.815 -2.973 90 HD1 TYR 14 HD1 TYR 14 1.799 7.072 -1.459 91 HD2 TYR 14 HD2 TYR 14 4.604 3.987 -0.375 92 HE1 TYR 14 HE1 TYR 14 2.962 8.660 0.084 93 HE2 TYR 14 HE2 TYR 14 5.748 5.547 1.160 94 HH TYR 14 HH TYR 14 5.745 7.614 2.043 95 H PHE 15 H PHE 15 0.076 3.959 -4.053 96 HA PHE 15 HA PHE 15 -0.700 1.115 -4.022 97 HB2 PHE 15 HB3 PHE 15 -0.796 3.311 -6.107 98 HB3 PHE 15 HB2 PHE 15 -1.066 1.618 -6.501 99 HD1 PHE 15 HD1 PHE 15 -2.451 4.503 -4.603 100 HD2 PHE 15 HD2 PHE 15 -3.011 0.395 -5.767 101 HE1 PHE 15 HE1 PHE 15 -4.801 4.597 -3.802 102 HE2 PHE 15 HE2 PHE 15 -5.366 0.495 -4.988 103 HZ PHE 15 HZ PHE 15 -6.262 2.588 -3.994 104 H GLU 16 H GLU 16 1.072 0.077 -3.584 105 HA GLU 16 HA GLU 16 2.864 -0.549 -5.768 106 HB2 GLU 16 HB3 GLU 16 5.008 -0.125 -4.750 107 HB3 GLU 16 HB2 GLU 16 4.111 1.370 -4.926 108 HG2 GLU 16 HG3 GLU 16 3.514 1.357 -2.540 109 HG3 GLU 16 HG2 GLU 16 4.311 -0.200 -2.336 110 H GLU 17 H GLU 17 1.212 -1.470 -3.076 111 HA GLU 17 HA GLU 17 0.709 -3.446 -2.203 112 HB2 GLU 17 HB3 GLU 17 1.174 -3.821 -5.150 113 HB3 GLU 17 HB2 GLU 17 0.427 -5.066 -4.160 114 HG2 GLU 17 HG3 GLU 17 -1.202 -3.650 -5.362 115 HG3 GLU 17 HG2 GLU 17 -1.460 -3.779 -3.641 116 H SER 18 H SER 18 2.895 -3.345 -0.952 117 HA SER 18 HA SER 18 3.518 -6.264 -0.902 118 HB2 SER 18 HB3 SER 18 5.751 -6.129 -0.676 119 HB3 SER 18 HB2 SER 18 5.506 -4.711 -1.704 120 HG SER 18 HG SER 18 5.481 -3.439 0.209 121 H ARG 19 H ARG 19 2.289 -3.652 0.838 122 HA ARG 19 HA ARG 19 2.546 -5.162 3.411 123 HB2 ARG 19 HB3 ARG 19 2.397 -2.147 3.029 124 HB3 ARG 19 HB2 ARG 19 2.377 -2.979 4.576 125 HG2 ARG 19 HG3 ARG 19 4.641 -2.932 2.566 126 HG3 ARG 19 HG2 ARG 19 4.612 -2.079 4.083 127 HD2 ARG 19 HD3 ARG 19 5.375 -3.873 5.248 128 HD3 ARG 19 HD2 ARG 19 4.223 -4.957 4.529 129 HE ARG 19 HE ARG 19 5.646 -5.412 2.727 130 HH11 ARG 19 HH11 ARG 19 7.193 -3.006 4.814 131 HH12 ARG 19 HH12 ARG 19 8.670 -3.045 3.907 132 HH21 ARG 19 HH21 ARG 19 7.318 -4.985 1.459 133 HH22 ARG 19 HH22 ARG 19 8.686 -4.071 1.976 134 H ILE 20 H ILE 20 0.814 -6.062 3.960 135 HA ILE 20 HA ILE 20 -1.834 -5.220 3.145 136 HB ILE 20 HB ILE 20 -1.074 -7.566 3.520 137 HG12 ILE 20 HG13 ILE 20 -3.552 -6.900 5.148 138 HG13 ILE 20 HG12 ILE 20 -3.481 -6.799 3.385 139 HG21 ILE 20 HG21 ILE 20 -1.441 -6.983 6.491 140 HG22 ILE 20 HG22 ILE 20 -0.989 -8.529 5.748 141 HG23 ILE 20 HG23 ILE 20 0.133 -7.167 5.697 142 HD11 ILE 20 HD11 ILE 20 -3.046 -9.319 5.038 143 HD12 ILE 20 HD12 ILE 20 -4.448 -8.923 4.031 144 HD13 ILE 20 HD13 ILE 20 -2.871 -9.208 3.269 145 H ASN 21 H ASN 21 0.212 -4.001 5.485 146 HA ASN 21 HA ASN 21 -1.997 -2.659 6.942 147 HB2 ASN 21 HB3 ASN 21 0.639 -2.856 8.316 148 HB3 ASN 21 HB2 ASN 21 -0.981 -2.938 8.978 149 HD21 ASN 21 HD21 ASN 21 1.796 -4.739 7.835 150 HD22 ASN 21 HD22 ASN 21 1.104 -6.304 8.271 151 H GLN 22 H GLN 22 -0.530 -0.695 8.179 152 HA GLN 22 HA GLN 22 0.344 1.176 6.161 153 HB2 GLN 22 HB3 GLN 22 -0.431 1.845 8.393 154 HB3 GLN 22 HB2 GLN 22 0.959 1.074 9.153 155 HG2 GLN 22 HG3 GLN 22 1.508 3.165 7.039 156 HG3 GLN 22 HG2 GLN 22 0.819 3.706 8.559 157 HE21 GLN 22 HE21 GLN 22 3.690 1.841 7.275 158 HE22 GLN 22 HE22 GLN 22 4.640 2.290 8.687 159 H ASP 23 H ASP 23 2.079 -1.201 8.180 160 HA ASP 23 HA ASP 23 3.875 -1.737 6.044 161 HB2 ASP 23 HB3 ASP 23 5.170 -0.104 7.506 162 HB3 ASP 23 HB2 ASP 23 5.054 -1.275 8.813 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.250 1.238 1.499 2 HA2 GLY 1 HA3 GLY 1 2.678 -0.471 -0.932 3 HA3 GLY 1 HA2 GLY 1 3.035 1.227 -0.929 4 H LEU 2 H LEU 2 4.890 1.971 0.100 5 HA LEU 2 HA LEU 2 6.938 2.098 0.970 6 HB2 LEU 2 HB3 LEU 2 5.931 1.005 2.941 7 HB3 LEU 2 HB2 LEU 2 6.372 -0.567 2.288 8 HG LEU 2 HG LEU 2 8.774 -0.005 2.468 9 HD11 LEU 2 HD11 LEU 2 9.478 1.955 3.796 10 HD12 LEU 2 HD12 LEU 2 7.801 2.535 3.851 11 HD13 LEU 2 HD13 LEU 2 8.685 2.467 2.305 12 HD21 LEU 2 HD21 LEU 2 8.883 -0.094 4.926 13 HD22 LEU 2 HD22 LEU 2 7.620 -1.163 4.296 14 HD23 LEU 2 HD23 LEU 2 7.173 0.393 5.025 15 H SER 3 H SER 3 6.291 -0.854 -0.786 16 HA SER 3 HA SER 3 8.713 -0.467 -2.386 17 HB2 SER 3 HB3 SER 3 8.226 -3.022 -0.793 18 HB3 SER 3 HB2 SER 3 9.331 -2.931 -2.183 19 HG SER 3 HG SER 3 9.604 -0.949 -0.263 20 H GLN 4 H GLN 4 8.272 -3.092 -3.696 21 HA GLN 4 HA GLN 4 5.414 -3.089 -4.440 22 HB2 GLN 4 HB3 GLN 4 7.819 -3.439 -6.259 23 HB3 GLN 4 HB2 GLN 4 6.360 -4.371 -6.561 24 HG2 GLN 4 HG3 GLN 4 6.264 -2.425 -7.925 25 HG3 GLN 4 HG2 GLN 4 5.006 -2.326 -6.702 26 HE21 GLN 4 HE21 GLN 4 4.867 -0.355 -5.674 27 HE22 GLN 4 HE22 GLN 4 6.171 0.834 -5.668 28 H GLY 5 H GLY 5 4.919 -5.540 -5.190 29 HA2 GLY 5 HA3 GLY 5 6.334 -7.753 -4.381 30 HA3 GLY 5 HA2 GLY 5 5.753 -7.149 -2.839 31 H VAL 6 H VAL 6 3.531 -6.769 -5.471 32 HA VAL 6 HA VAL 6 1.557 -7.578 -6.039 33 HB VAL 6 HB VAL 6 2.686 -10.298 -5.331 34 HG11 VAL 6 HG11 VAL 6 0.284 -10.437 -5.800 35 HG12 VAL 6 HG12 VAL 6 0.491 -9.461 -7.270 36 HG13 VAL 6 HG13 VAL 6 1.197 -11.092 -7.161 37 HG21 VAL 6 HG21 VAL 6 3.339 -10.352 -7.749 38 HG22 VAL 6 HG22 VAL 6 2.866 -8.640 -7.886 39 HG23 VAL 6 HG23 VAL 6 4.220 -9.117 -6.846 40 H GLU 7 H GLU 7 2.363 -8.711 -2.806 41 HA GLU 7 HA GLU 7 -0.463 -9.011 -2.017 42 HB2 GLU 7 HB3 GLU 7 2.222 -9.228 -0.683 43 HB3 GLU 7 HB2 GLU 7 0.814 -8.989 0.344 44 HG2 GLU 7 HG3 GLU 7 -0.236 -10.998 -0.394 45 HG3 GLU 7 HG2 GLU 7 0.805 -11.129 -1.814 46 HA PRO 8 HA PRO 8 -1.617 -5.130 -1.657 47 HB2 PRO 8 HB3 PRO 8 -3.323 -4.839 0.479 48 HB3 PRO 8 HB2 PRO 8 -3.622 -5.942 -0.895 49 HG2 PRO 8 HG3 PRO 8 -2.359 -6.623 1.784 50 HG3 PRO 8 HG2 PRO 8 -3.726 -7.451 0.967 51 HD2 PRO 8 HD3 PRO 8 -1.210 -8.386 0.749 52 HD3 PRO 8 HD2 PRO 8 -2.285 -8.379 -0.682 53 H ASP 9 H ASP 9 -1.737 -3.044 -0.950 54 HA ASP 9 HA ASP 9 -0.955 -2.105 1.654 55 HB2 ASP 9 HB2 ASP 9 1.303 -2.199 0.640 56 HB3 ASP 9 HB3 ASP 9 0.714 -1.308 -0.771 57 H ILE 10 H ILE 10 -3.317 -1.530 1.460 58 HA ILE 10 HA ILE 10 -4.070 0.264 -0.719 59 HB ILE 10 HB ILE 10 -5.672 -0.636 1.692 60 HG12 ILE 10 HG13 ILE 10 -5.867 -1.608 -1.208 61 HG13 ILE 10 HG12 ILE 10 -4.881 -2.440 -0.025 62 HG21 ILE 10 HG21 ILE 10 -6.541 0.708 -0.931 63 HG22 ILE 10 HG22 ILE 10 -7.639 0.090 0.325 64 HG23 ILE 10 HG23 ILE 10 -6.607 1.450 0.681 65 HD11 ILE 10 HD11 ILE 10 -6.961 -3.592 -0.151 66 HD12 ILE 10 HD12 ILE 10 -6.887 -2.783 1.425 67 HD13 ILE 10 HD13 ILE 10 -7.894 -2.114 0.120 68 H GLY 11 H GLY 11 -2.229 1.697 -0.148 69 HA2 GLY 11 HA3 GLY 11 -1.959 4.018 0.055 70 HA3 GLY 11 HA2 GLY 11 -3.426 4.119 1.017 71 H GLN 12 H GLN 12 -1.816 1.791 2.638 72 HA GLN 12 HA GLN 12 -1.149 3.485 4.818 73 HB2 GLN 12 HB3 GLN 12 -1.901 1.023 4.764 74 HB3 GLN 12 HB2 GLN 12 -0.218 0.620 4.462 75 HG2 GLN 12 HG3 GLN 12 -0.707 0.344 6.797 76 HG3 GLN 12 HG2 GLN 12 0.422 1.679 6.621 77 HE21 GLN 12 HE21 GLN 12 -3.168 0.986 6.999 78 HE22 GLN 12 HE22 GLN 12 -3.432 2.456 7.866 79 H THR 13 H THR 13 0.676 2.949 2.090 80 HA THR 13 HA THR 13 2.519 4.906 3.124 81 HB THR 13 HB THR 13 3.860 2.379 2.107 82 HG1 THR 13 HG1 THR 13 3.079 2.998 4.522 83 HG21 THR 13 HG21 THR 13 5.964 3.533 2.761 84 HG22 THR 13 HG22 THR 13 5.039 4.997 3.138 85 HG23 THR 13 HG23 THR 13 5.137 4.404 1.466 86 H TYR 14 H TYR 14 1.957 2.697 0.408 87 HA TYR 14 HA TYR 14 1.512 4.946 -1.371 88 HB2 TYR 14 HB3 TYR 14 2.648 2.641 -2.823 89 HB3 TYR 14 HB2 TYR 14 2.772 4.357 -3.134 90 HD1 TYR 14 HD2 TYR 14 4.363 5.513 -1.043 91 HD2 TYR 14 HD1 TYR 14 4.717 1.683 -3.005 92 HE1 TYR 14 HE2 TYR 14 6.805 5.447 -0.507 93 HE2 TYR 14 HE1 TYR 14 7.136 1.668 -2.547 94 HH TYR 14 HH TYR 14 8.762 2.582 -1.055 95 H PHE 15 H PHE 15 0.471 3.527 -3.538 96 HA PHE 15 HA PHE 15 -1.533 1.631 -2.338 97 HB2 PHE 15 HB3 PHE 15 -1.708 3.431 -4.761 98 HB3 PHE 15 HB2 PHE 15 -2.829 2.115 -4.439 99 HD1 PHE 15 HD1 PHE 15 -4.389 2.168 -2.538 100 HD2 PHE 15 HD2 PHE 15 -1.764 5.478 -3.371 101 HE1 PHE 15 HE1 PHE 15 -5.730 3.608 -1.020 102 HE2 PHE 15 HE2 PHE 15 -3.105 6.922 -1.851 103 HZ PHE 15 HZ PHE 15 -5.093 5.986 -0.678 104 H GLU 16 H GLU 16 0.967 2.048 -4.682 105 HA GLU 16 HA GLU 16 0.497 -0.345 -6.218 106 HB2 GLU 16 HB3 GLU 16 2.729 0.293 -7.240 107 HB3 GLU 16 HB2 GLU 16 1.388 1.391 -7.432 108 HG2 GLU 16 HG3 GLU 16 3.330 1.894 -5.168 109 HG3 GLU 16 HG2 GLU 16 3.806 2.265 -6.819 110 H GLU 17 H GLU 17 0.380 -1.486 -4.080 111 HA GLU 17 HA GLU 17 0.824 -3.571 -3.261 112 HB2 GLU 17 HB3 GLU 17 3.414 -3.631 -4.794 113 HB3 GLU 17 HB2 GLU 17 2.500 -4.990 -4.171 114 HG2 GLU 17 HG3 GLU 17 0.746 -4.602 -5.855 115 HG3 GLU 17 HG2 GLU 17 1.659 -3.231 -6.509 116 H SER 18 H SER 18 1.871 -4.651 -1.663 117 HA SER 18 HA SER 18 4.112 -5.383 -2.302 118 HB2 SER 18 HB3 SER 18 5.973 -4.925 -0.884 119 HB3 SER 18 HB2 SER 18 5.413 -3.399 -1.548 120 HG SER 18 HG SER 18 4.828 -2.760 0.390 121 H ARG 19 H ARG 19 2.676 -4.806 0.746 122 HA ARG 19 HA ARG 19 1.588 -6.841 1.941 123 HB2 ARG 19 HB3 ARG 19 3.126 -8.362 3.050 124 HB3 ARG 19 HB2 ARG 19 3.179 -8.499 1.318 125 HG2 ARG 19 HG3 ARG 19 5.312 -6.862 1.553 126 HG3 ARG 19 HG2 ARG 19 5.276 -7.389 3.226 127 HD2 ARG 19 HD3 ARG 19 6.821 -8.738 1.919 128 HD3 ARG 19 HD2 ARG 19 5.498 -9.719 2.556 129 HE ARG 19 HE ARG 19 5.327 -8.620 -0.223 130 HH11 ARG 19 HH11 ARG 19 4.652 -11.256 1.856 131 HH12 ARG 19 HH12 ARG 19 3.929 -12.094 0.552 132 HH21 ARG 19 HH21 ARG 19 4.544 -9.948 -1.855 133 HH22 ARG 19 HH22 ARG 19 3.935 -11.494 -1.297 134 H ILE 20 H ILE 20 1.253 -4.486 2.535 135 HA ILE 20 HA ILE 20 2.552 -3.955 5.209 136 HB ILE 20 HB ILE 20 1.448 -1.865 3.319 137 HG12 ILE 20 HG13 ILE 20 3.503 -2.683 2.377 138 HG13 ILE 20 HG12 ILE 20 3.697 -1.053 2.984 139 HG21 ILE 20 HG21 ILE 20 1.174 -1.183 5.649 140 HG22 ILE 20 HG22 ILE 20 2.866 -1.574 6.001 141 HG23 ILE 20 HG23 ILE 20 2.458 -0.236 4.900 142 HD11 ILE 20 HD11 ILE 20 4.673 -3.544 4.454 143 HD12 ILE 20 HD12 ILE 20 5.663 -2.505 3.428 144 HD13 ILE 20 HD13 ILE 20 4.963 -1.852 4.920 145 H ASN 21 H ASN 21 -0.283 -2.478 3.791 146 HA ASN 21 HA ASN 21 -2.441 -2.270 4.602 147 HB2 ASN 21 HB3 ASN 21 -1.936 -3.945 2.683 148 HB3 ASN 21 HB2 ASN 21 -2.397 -5.201 3.825 149 HD21 ASN 21 HD21 ASN 21 -4.627 -4.960 4.786 150 HD22 ASN 21 HD22 ASN 21 -5.827 -3.983 3.949 151 H GLN 22 H GLN 22 -2.425 -1.882 6.775 152 HA GLN 22 HA GLN 22 -2.947 -3.926 8.841 153 HB2 GLN 22 HB3 GLN 22 -3.238 -0.897 8.886 154 HB3 GLN 22 HB2 GLN 22 -3.301 -1.973 10.278 155 HG2 GLN 22 HG3 GLN 22 -0.925 -2.552 9.985 156 HG3 GLN 22 HG2 GLN 22 -0.821 -1.511 8.558 157 HE21 GLN 22 HE21 GLN 22 -2.039 0.864 9.221 158 HE22 GLN 22 HE22 GLN 22 -1.168 1.506 10.614 159 H ASP 23 H ASP 23 -4.685 -3.570 6.384 160 HA ASP 23 HA ASP 23 -5.363 -1.974 5.166 161 HB2 ASP 23 HB3 ASP 23 -7.530 -1.565 7.225 162 HB3 ASP 23 HB2 ASP 23 -7.374 -0.612 5.750 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.023 -2.192 0.775 2 HA2 GLY 1 HA3 GLY 1 1.303 -0.304 -1.044 3 HA3 GLY 1 HA2 GLY 1 0.716 0.400 0.476 4 H LEU 2 H LEU 2 2.444 1.825 -0.792 5 HA LEU 2 HA LEU 2 4.407 2.917 -0.847 6 HB2 LEU 2 HB3 LEU 2 3.667 3.528 1.337 7 HB3 LEU 2 HB2 LEU 2 4.438 2.116 2.058 8 HG LEU 2 HG LEU 2 6.663 3.001 1.545 9 HD11 LEU 2 HD11 LEU 2 5.225 5.411 0.365 10 HD12 LEU 2 HD12 LEU 2 6.243 4.257 -0.528 11 HD13 LEU 2 HD13 LEU 2 6.965 5.302 0.696 12 HD21 LEU 2 HD21 LEU 2 6.659 4.906 3.064 13 HD22 LEU 2 HD22 LEU 2 5.544 3.659 3.646 14 HD23 LEU 2 HD23 LEU 2 4.905 5.112 2.846 15 H SER 3 H SER 3 5.778 0.301 1.277 16 HA SER 3 HA SER 3 7.573 -0.542 -0.862 17 HB2 SER 3 HB3 SER 3 9.672 0.335 -0.032 18 HB3 SER 3 HB2 SER 3 8.570 1.648 -0.456 19 HG SER 3 HG SER 3 8.776 0.628 2.162 20 H GLN 4 H GLN 4 7.030 -2.594 -0.264 21 HA GLN 4 HA GLN 4 9.159 -3.825 1.235 22 HB2 GLN 4 HB3 GLN 4 7.151 -3.352 2.948 23 HB3 GLN 4 HB2 GLN 4 6.471 -4.786 2.207 24 HG2 GLN 4 HG3 GLN 4 7.644 -5.348 4.249 25 HG3 GLN 4 HG2 GLN 4 8.465 -6.092 2.887 26 HE21 GLN 4 HE21 GLN 4 9.117 -2.589 3.341 27 HE22 GLN 4 HE22 GLN 4 10.658 -2.933 4.138 28 H GLY 5 H GLY 5 6.898 -3.960 -1.274 29 HA2 GLY 5 HA3 GLY 5 7.574 -5.443 -3.069 30 HA3 GLY 5 HA2 GLY 5 7.572 -6.793 -1.937 31 H VAL 6 H VAL 6 5.631 -4.626 -3.784 32 HA VAL 6 HA VAL 6 3.290 -4.736 -4.424 33 HB VAL 6 HB VAL 6 4.840 -6.889 -5.858 34 HG11 VAL 6 HG11 VAL 6 3.517 -6.125 -7.820 35 HG12 VAL 6 HG12 VAL 6 2.466 -6.781 -6.566 36 HG13 VAL 6 HG13 VAL 6 2.602 -5.022 -6.774 37 HG21 VAL 6 HG21 VAL 6 5.531 -5.033 -7.383 38 HG22 VAL 6 HG22 VAL 6 4.851 -3.867 -6.229 39 HG23 VAL 6 HG23 VAL 6 6.230 -4.885 -5.772 40 H GLU 7 H GLU 7 1.649 -5.360 -3.045 41 HA GLU 7 HA GLU 7 0.378 -7.051 -4.816 42 HB2 GLU 7 HB3 GLU 7 1.073 -8.914 -3.271 43 HB3 GLU 7 HB2 GLU 7 -0.011 -8.271 -2.070 44 HG2 GLU 7 HG3 GLU 7 -1.924 -8.629 -3.628 45 HG3 GLU 7 HG2 GLU 7 -0.793 -9.180 -4.868 46 HA PRO 8 HA PRO 8 -3.326 -5.622 -2.678 47 HB2 PRO 8 HB3 PRO 8 -3.582 -6.962 -0.382 48 HB3 PRO 8 HB2 PRO 8 -2.662 -7.724 -1.697 49 HG2 PRO 8 HG3 PRO 8 -1.607 -6.348 0.764 50 HG3 PRO 8 HG2 PRO 8 -0.966 -7.781 -0.081 51 HD2 PRO 8 HD3 PRO 8 -0.367 -4.920 -0.453 52 HD3 PRO 8 HD2 PRO 8 0.461 -6.256 -1.214 53 H ASP 9 H ASP 9 -1.643 -3.120 -1.483 54 HA ASP 9 HA ASP 9 -2.455 -3.047 1.274 55 HB2 ASP 9 HB2 ASP 9 -1.138 -0.943 -0.457 56 HB3 ASP 9 HB3 ASP 9 -1.398 -0.749 1.267 57 H ILE 10 H ILE 10 -3.414 -1.382 2.462 58 HA ILE 10 HA ILE 10 -6.098 -0.681 1.521 59 HB ILE 10 HB ILE 10 -4.640 -0.115 4.135 60 HG12 ILE 10 HG13 ILE 10 -6.717 -2.285 3.599 61 HG13 ILE 10 HG12 ILE 10 -4.982 -2.585 3.604 62 HG21 ILE 10 HG21 ILE 10 -6.504 1.454 3.788 63 HG22 ILE 10 HG22 ILE 10 -7.608 0.099 3.458 64 HG23 ILE 10 HG23 ILE 10 -6.893 0.335 5.074 65 HD11 ILE 10 HD11 ILE 10 -6.610 -1.685 5.996 66 HD12 ILE 10 HD12 ILE 10 -5.819 -3.244 5.729 67 HD13 ILE 10 HD13 ILE 10 -4.832 -1.787 5.956 68 H GLY 11 H GLY 11 -3.088 1.006 2.423 69 HA2 GLY 11 HA3 GLY 11 -3.558 3.127 0.498 70 HA3 GLY 11 HA2 GLY 11 -3.865 3.670 2.151 71 H GLN 12 H GLN 12 -2.160 3.767 3.606 72 HA GLN 12 HA GLN 12 -0.258 4.633 4.303 73 HB2 GLN 12 HB3 GLN 12 0.380 2.233 4.037 74 HB3 GLN 12 HB2 GLN 12 1.194 2.636 2.527 75 HG2 GLN 12 HG3 GLN 12 2.840 3.945 3.624 76 HG3 GLN 12 HG2 GLN 12 1.836 4.205 5.048 77 HE21 GLN 12 HE21 GLN 12 1.363 2.306 6.447 78 HE22 GLN 12 HE22 GLN 12 2.635 1.082 6.586 79 H THR 13 H THR 13 0.205 4.268 0.817 80 HA THR 13 HA THR 13 0.463 7.130 0.433 81 HB THR 13 HB THR 13 2.928 5.535 -0.382 82 HG1 THR 13 HG1 THR 13 2.291 6.630 1.971 83 HG21 THR 13 HG21 THR 13 2.401 8.542 -0.330 84 HG22 THR 13 HG22 THR 13 2.480 7.550 -1.799 85 HG23 THR 13 HG23 THR 13 3.923 7.748 -0.792 86 H TYR 14 H TYR 14 0.816 3.886 -0.963 87 HA TYR 14 HA TYR 14 -1.118 4.310 -2.986 88 HB2 TYR 14 HB3 TYR 14 0.409 3.661 -4.914 89 HB3 TYR 14 HB2 TYR 14 0.531 5.309 -4.349 90 HD1 TYR 14 HD2 TYR 14 2.205 1.959 -4.149 91 HD2 TYR 14 HD1 TYR 14 2.580 6.220 -3.646 92 HE1 TYR 14 HE2 TYR 14 4.652 1.705 -3.770 93 HE2 TYR 14 HE1 TYR 14 5.049 5.952 -3.251 94 HH TYR 14 HH TYR 14 6.452 2.807 -2.781 95 H PHE 15 H PHE 15 -1.349 2.157 -4.246 96 HA PHE 15 HA PHE 15 -1.775 0.415 -1.918 97 HB2 PHE 15 HB3 PHE 15 -3.095 0.307 -4.643 98 HB3 PHE 15 HB2 PHE 15 -3.691 -0.348 -3.124 99 HD1 PHE 15 HD2 PHE 15 -4.599 1.197 -1.359 100 HD2 PHE 15 HD1 PHE 15 -3.330 2.647 -5.218 101 HE1 PHE 15 HE2 PHE 15 -5.756 3.338 -0.929 102 HE2 PHE 15 HE1 PHE 15 -4.484 4.804 -4.785 103 HZ PHE 15 HZ PHE 15 -5.698 5.158 -2.632 104 H GLU 16 H GLU 16 -0.565 0.226 -5.170 105 HA GLU 16 HA GLU 16 -0.341 -2.597 -5.528 106 HB2 GLU 16 HB3 GLU 16 0.958 -1.902 -7.563 107 HB3 GLU 16 HB2 GLU 16 -0.639 -1.220 -7.413 108 HG2 GLU 16 HG3 GLU 16 1.644 0.449 -6.366 109 HG3 GLU 16 HG2 GLU 16 1.519 0.225 -8.106 110 H GLU 17 H GLU 17 1.023 -1.849 -3.095 111 HA GLU 17 HA GLU 17 3.689 -3.009 -3.603 112 HB2 GLU 17 HB3 GLU 17 3.312 -0.250 -2.941 113 HB3 GLU 17 HB2 GLU 17 4.128 -1.037 -1.603 114 HG2 GLU 17 HG3 GLU 17 4.965 -1.249 -4.539 115 HG3 GLU 17 HG2 GLU 17 5.723 -0.195 -3.347 116 H SER 18 H SER 18 4.671 -3.039 -1.007 117 HA SER 18 HA SER 18 4.815 -4.931 0.369 118 HB2 SER 18 HB3 SER 18 2.849 -3.120 1.801 119 HB3 SER 18 HB2 SER 18 3.982 -4.254 2.519 120 HG SER 18 HG SER 18 4.396 -1.757 1.463 121 H ARG 19 H ARG 19 3.891 -6.823 -0.566 122 HA ARG 19 HA ARG 19 1.285 -7.731 -0.330 123 HB2 ARG 19 HB3 ARG 19 1.972 -9.670 -1.131 124 HB3 ARG 19 HB2 ARG 19 3.228 -8.638 -1.632 125 HG2 ARG 19 HG3 ARG 19 4.589 -10.260 -0.899 126 HG3 ARG 19 HG2 ARG 19 4.398 -9.483 0.665 127 HD2 ARG 19 HD3 ARG 19 4.180 -11.933 0.800 128 HD3 ARG 19 HD2 ARG 19 2.688 -11.177 1.304 129 HE ARG 19 HE ARG 19 3.176 -12.644 -1.248 130 HH11 ARG 19 HH11 ARG 19 0.701 -10.920 0.629 131 HH12 ARG 19 HH12 ARG 19 -0.442 -11.304 -0.634 132 HH21 ARG 19 HH21 ARG 19 1.528 -12.969 -2.683 133 HH22 ARG 19 HH22 ARG 19 -0.002 -12.335 -2.314 134 H ILE 20 H ILE 20 2.528 -6.805 2.331 135 HA ILE 20 HA ILE 20 1.548 -8.839 4.238 136 HB ILE 20 HB ILE 20 2.514 -5.983 4.723 137 HG12 ILE 20 HG13 ILE 20 4.490 -7.483 5.799 138 HG13 ILE 20 HG12 ILE 20 4.013 -8.604 4.535 139 HG21 ILE 20 HG21 ILE 20 2.080 -8.301 6.659 140 HG22 ILE 20 HG22 ILE 20 2.774 -6.710 7.067 141 HG23 ILE 20 HG23 ILE 20 1.101 -6.822 6.556 142 HD11 ILE 20 HD11 ILE 20 5.891 -7.144 3.872 143 HD12 ILE 20 HD12 ILE 20 4.503 -6.809 2.834 144 HD13 ILE 20 HD13 ILE 20 4.904 -5.702 4.167 145 H ASN 21 H ASN 21 0.398 -5.916 2.590 146 HA ASN 21 HA ASN 21 -1.469 -4.802 2.502 147 HB2 ASN 21 HB3 ASN 21 -3.417 -5.744 2.493 148 HB3 ASN 21 HB2 ASN 21 -2.591 -7.242 2.873 149 HD21 ASN 21 HD21 ASN 21 -2.311 -7.468 5.416 150 HD22 ASN 21 HD22 ASN 21 -3.791 -7.031 6.302 151 H GLN 22 H GLN 22 -0.986 -2.957 3.280 152 HA GLN 22 HA GLN 22 -1.023 -2.394 6.216 153 HB2 GLN 22 HB3 GLN 22 0.882 -1.338 4.093 154 HB3 GLN 22 HB2 GLN 22 0.987 -1.040 5.820 155 HG2 GLN 22 HG3 GLN 22 1.394 -3.783 4.529 156 HG3 GLN 22 HG2 GLN 22 2.669 -2.635 4.876 157 HE21 GLN 22 HE21 GLN 22 -0.078 -4.221 6.759 158 HE22 GLN 22 HE22 GLN 22 1.004 -4.390 8.157 159 H ASP 23 H ASP 23 -1.118 -0.150 6.792 160 HA ASP 23 HA ASP 23 -1.678 1.908 4.902 161 HB2 ASP 23 HB3 ASP 23 -3.966 1.127 5.853 162 HB3 ASP 23 HB2 ASP 23 -3.398 1.733 7.398 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.169 0.209 1.671 2 HA2 GLY 1 HA3 GLY 1 2.333 -1.443 -0.211 3 HA3 GLY 1 HA2 GLY 1 1.149 -0.546 -1.143 4 H LEU 2 H LEU 2 3.837 -0.059 1.105 5 HA LEU 2 HA LEU 2 4.504 2.515 0.729 6 HB2 LEU 2 HB3 LEU 2 5.470 0.843 2.281 7 HB3 LEU 2 HB2 LEU 2 6.487 0.218 1.006 8 HG LEU 2 HG LEU 2 7.595 1.678 2.680 9 HD11 LEU 2 HD11 LEU 2 8.544 1.384 0.384 10 HD12 LEU 2 HD12 LEU 2 9.022 2.877 1.211 11 HD13 LEU 2 HD13 LEU 2 7.805 2.938 -0.069 12 HD21 LEU 2 HD21 LEU 2 6.110 3.997 1.386 13 HD22 LEU 2 HD22 LEU 2 7.348 4.082 2.660 14 HD23 LEU 2 HD23 LEU 2 5.787 3.329 3.006 15 H SER 3 H SER 3 6.279 0.134 -1.260 16 HA SER 3 HA SER 3 5.823 1.132 -3.813 17 HB2 SER 3 HB3 SER 3 7.868 2.276 -4.469 18 HB3 SER 3 HB2 SER 3 7.008 3.224 -3.263 19 HG SER 3 HG SER 3 8.943 1.368 -2.445 20 H GLN 4 H GLN 4 6.433 -0.529 -5.141 21 HA GLN 4 HA GLN 4 8.916 -1.846 -5.140 22 HB2 GLN 4 HB3 GLN 4 8.260 -2.925 -3.041 23 HB3 GLN 4 HB2 GLN 4 6.766 -3.491 -3.773 24 HG2 GLN 4 HG3 GLN 4 8.154 -4.934 -5.334 25 HG3 GLN 4 HG2 GLN 4 9.602 -4.351 -4.499 26 HE21 GLN 4 HE21 GLN 4 6.331 -5.590 -3.517 27 HE22 GLN 4 HE22 GLN 4 6.965 -6.513 -2.188 28 H GLY 5 H GLY 5 5.653 -3.303 -5.583 29 HA2 GLY 5 HA3 GLY 5 5.400 -3.261 -8.377 30 HA3 GLY 5 HA2 GLY 5 6.459 -4.623 -8.011 31 H VAL 6 H VAL 6 3.348 -3.237 -7.109 32 HA VAL 6 HA VAL 6 1.360 -4.047 -6.377 33 HB VAL 6 HB VAL 6 0.188 -5.461 -7.960 34 HG11 VAL 6 HG11 VAL 6 1.932 -3.354 -9.286 35 HG12 VAL 6 HG12 VAL 6 0.350 -3.943 -9.837 36 HG13 VAL 6 HG13 VAL 6 0.477 -3.040 -8.318 37 HG21 VAL 6 HG21 VAL 6 2.050 -7.014 -8.605 38 HG22 VAL 6 HG22 VAL 6 1.215 -6.285 -9.990 39 HG23 VAL 6 HG23 VAL 6 2.813 -5.684 -9.496 40 H GLU 7 H GLU 7 3.081 -5.076 -4.591 41 HA GLU 7 HA GLU 7 2.025 -7.697 -3.794 42 HB2 GLU 7 HB3 GLU 7 3.955 -5.763 -2.755 43 HB3 GLU 7 HB2 GLU 7 2.804 -6.235 -1.520 44 HG2 GLU 7 HG3 GLU 7 3.351 -8.667 -2.066 45 HG3 GLU 7 HG2 GLU 7 4.680 -8.044 -3.044 46 HA PRO 8 HA PRO 8 -1.850 -6.305 -2.325 47 HB2 PRO 8 HB3 PRO 8 -2.627 -8.221 -0.606 48 HB3 PRO 8 HB2 PRO 8 -2.100 -8.637 -2.262 49 HG2 PRO 8 HG3 PRO 8 -0.414 -8.707 0.273 50 HG3 PRO 8 HG2 PRO 8 -0.645 -10.014 -0.932 51 HD2 PRO 8 HD3 PRO 8 1.460 -8.246 -0.988 52 HD3 PRO 8 HD2 PRO 8 0.766 -8.969 -2.474 53 H ASP 9 H ASP 9 -0.619 -4.338 -1.338 54 HA ASP 9 HA ASP 9 -0.559 -3.919 1.480 55 HB2 ASP 9 HB2 ASP 9 0.244 -2.501 -0.577 56 HB3 ASP 9 HB3 ASP 9 -1.345 -1.779 -0.506 57 H ILE 10 H ILE 10 -1.966 -2.787 2.812 58 HA ILE 10 HA ILE 10 -4.299 -1.541 1.931 59 HB ILE 10 HB ILE 10 -5.170 -3.354 4.174 60 HG12 ILE 10 HG13 ILE 10 -5.785 -3.985 1.264 61 HG13 ILE 10 HG12 ILE 10 -4.649 -4.897 2.263 62 HG21 ILE 10 HG21 ILE 10 -6.712 -1.842 2.020 63 HG22 ILE 10 HG22 ILE 10 -7.378 -2.588 3.494 64 HG23 ILE 10 HG23 ILE 10 -6.338 -1.180 3.621 65 HD11 ILE 10 HD11 ILE 10 -7.644 -4.678 2.694 66 HD12 ILE 10 HD12 ILE 10 -6.706 -6.098 2.217 67 HD13 ILE 10 HD13 ILE 10 -6.515 -5.429 3.849 68 H GLY 11 H GLY 11 -1.967 -0.626 2.899 69 HA2 GLY 11 HA3 GLY 11 -2.273 0.359 5.649 70 HA3 GLY 11 HA2 GLY 11 -1.002 0.726 4.478 71 H GLN 12 H GLN 12 -0.954 2.863 4.195 72 HA GLN 12 HA GLN 12 -3.427 4.265 3.313 73 HB2 GLN 12 HB3 GLN 12 -2.560 4.576 5.872 74 HB3 GLN 12 HB2 GLN 12 -1.493 5.725 5.081 75 HG2 GLN 12 HG3 GLN 12 -3.322 7.022 5.708 76 HG3 GLN 12 HG2 GLN 12 -3.663 6.717 4.012 77 HE21 GLN 12 HE21 GLN 12 -4.653 3.739 4.856 78 HE22 GLN 12 HE22 GLN 12 -6.210 4.209 5.527 79 H THR 13 H THR 13 -0.181 3.563 2.662 80 HA THR 13 HA THR 13 0.367 5.882 0.971 81 HB THR 13 HB THR 13 2.257 4.478 0.117 82 HG1 THR 13 HG1 THR 13 1.469 2.662 2.176 83 HG21 THR 13 HG21 THR 13 2.080 4.769 3.136 84 HG22 THR 13 HG22 THR 13 2.633 5.996 1.980 85 HG23 THR 13 HG23 THR 13 3.560 4.497 2.199 86 H TYR 14 H TYR 14 0.629 2.672 -0.397 87 HA TYR 14 HA TYR 14 -1.377 3.284 -2.505 88 HB2 TYR 14 HB3 TYR 14 1.357 2.360 -3.369 89 HB3 TYR 14 HB2 TYR 14 0.119 3.178 -4.295 90 HD1 TYR 14 HD1 TYR 14 -0.354 5.718 -3.579 91 HD2 TYR 14 HD2 TYR 14 3.199 3.501 -2.583 92 HE1 TYR 14 HE1 TYR 14 0.894 7.859 -3.207 93 HE2 TYR 14 HE2 TYR 14 4.427 5.589 -2.197 94 HH TYR 14 HH TYR 14 4.281 7.817 -2.119 95 H PHE 15 H PHE 15 -0.403 1.130 -4.206 96 HA PHE 15 HA PHE 15 -0.815 -1.348 -2.613 97 HB2 PHE 15 HB3 PHE 15 -2.355 -0.643 -5.136 98 HB3 PHE 15 HB2 PHE 15 -2.375 -2.198 -4.313 99 HD1 PHE 15 HD2 PHE 15 -3.425 -2.431 -2.059 100 HD2 PHE 15 HD1 PHE 15 -3.630 1.257 -4.273 101 HE1 PHE 15 HE2 PHE 15 -5.220 -1.639 -0.560 102 HE2 PHE 15 HE1 PHE 15 -5.433 2.062 -2.762 103 HZ PHE 15 HZ PHE 15 -6.230 0.616 -0.898 104 H GLU 16 H GLU 16 1.522 -1.395 -2.868 105 HA GLU 16 HA GLU 16 2.401 -2.356 -5.502 106 HB2 GLU 16 HB3 GLU 16 2.512 0.345 -5.121 107 HB3 GLU 16 HB2 GLU 16 4.082 -0.133 -4.473 108 HG2 GLU 16 HG3 GLU 16 4.308 -1.531 -6.670 109 HG3 GLU 16 HG2 GLU 16 2.912 -0.640 -7.247 110 H GLU 17 H GLU 17 3.679 -1.401 -2.294 111 HA GLU 17 HA GLU 17 5.235 -3.964 -2.197 112 HB2 GLU 17 HB3 GLU 17 6.235 -1.647 -1.632 113 HB3 GLU 17 HB2 GLU 17 5.345 -1.720 -0.145 114 HG2 GLU 17 HG3 GLU 17 7.278 -3.905 -1.036 115 HG3 GLU 17 HG2 GLU 17 7.868 -2.405 -0.341 116 H SER 18 H SER 18 4.958 -4.909 0.202 117 HA SER 18 HA SER 18 4.105 -4.794 2.282 118 HB2 SER 18 HB3 SER 18 1.873 -3.012 1.325 119 HB3 SER 18 HB2 SER 18 2.414 -3.256 2.971 120 HG SER 18 HG SER 18 4.590 -2.511 1.915 121 H ARG 19 H ARG 19 2.340 -5.456 3.684 122 HA ARG 19 HA ARG 19 0.630 -7.531 2.324 123 HB2 ARG 19 HB3 ARG 19 2.480 -7.920 4.697 124 HB3 ARG 19 HB2 ARG 19 1.316 -9.106 4.126 125 HG2 ARG 19 HG3 ARG 19 2.692 -9.862 2.539 126 HG3 ARG 19 HG2 ARG 19 2.899 -8.277 1.835 127 HD2 ARG 19 HD3 ARG 19 4.500 -9.444 4.136 128 HD3 ARG 19 HD2 ARG 19 5.041 -9.248 2.471 129 HE ARG 19 HE ARG 19 4.497 -6.979 4.382 130 HH11 ARG 19 HH11 ARG 19 5.893 -7.720 1.224 131 HH12 ARG 19 HH12 ARG 19 6.993 -6.406 1.444 132 HH21 ARG 19 HH21 ARG 19 5.674 -5.185 4.193 133 HH22 ARG 19 HH22 ARG 19 6.856 -5.109 2.908 134 H ILE 20 H ILE 20 -1.215 -6.641 2.549 135 HA ILE 20 HA ILE 20 -3.231 -6.309 3.206 136 HB ILE 20 HB ILE 20 -2.710 -8.745 3.644 137 HG12 ILE 20 HG13 ILE 20 -5.241 -7.659 4.932 138 HG13 ILE 20 HG12 ILE 20 -4.951 -7.694 3.190 139 HG21 ILE 20 HG21 ILE 20 -1.726 -8.495 5.925 140 HG22 ILE 20 HG22 ILE 20 -3.306 -7.973 6.536 141 HG23 ILE 20 HG23 ILE 20 -3.080 -9.615 5.900 142 HD11 ILE 20 HD11 ILE 20 -5.116 -10.121 5.015 143 HD12 ILE 20 HD12 ILE 20 -6.287 -9.602 3.794 144 HD13 ILE 20 HD13 ILE 20 -4.684 -10.170 3.287 145 H ASN 21 H ASN 21 -1.148 -5.392 5.792 146 HA ASN 21 HA ASN 21 -2.665 -3.003 5.859 147 HB2 ASN 21 HB3 ASN 21 -4.089 -4.189 7.526 148 HB3 ASN 21 HB2 ASN 21 -2.652 -4.537 8.496 149 HD21 ASN 21 HD21 ASN 21 -3.839 -1.456 6.830 150 HD22 ASN 21 HD22 ASN 21 -3.658 -0.592 8.355 151 H GLN 22 H GLN 22 -0.972 -1.600 5.638 152 HA GLN 22 HA GLN 22 1.327 -1.780 7.434 153 HB2 GLN 22 HB3 GLN 22 1.459 -3.255 5.137 154 HB3 GLN 22 HB2 GLN 22 2.061 -1.720 4.526 155 HG2 GLN 22 HG3 GLN 22 3.737 -1.741 6.461 156 HG3 GLN 22 HG2 GLN 22 3.109 -3.328 6.909 157 HE21 GLN 22 HE21 GLN 22 5.134 -1.588 4.720 158 HE22 GLN 22 HE22 GLN 22 5.626 -2.905 3.668 159 H ASP 23 H ASP 23 2.810 -0.039 5.372 160 HA ASP 23 HA ASP 23 2.397 2.505 6.386 161 HB2 ASP 23 HB3 ASP 23 3.472 1.768 3.637 162 HB3 ASP 23 HB2 ASP 23 3.874 3.186 4.597 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.333 1.219 0.858 2 HA2 GLY 1 HA3 GLY 1 1.140 0.310 -1.900 3 HA3 GLY 1 HA2 GLY 1 1.137 1.977 -1.355 4 H LEU 2 H LEU 2 2.633 2.554 0.421 5 HA LEU 2 HA LEU 2 4.858 2.989 0.598 6 HB2 LEU 2 HB3 LEU 2 3.583 2.100 2.625 7 HB3 LEU 2 HB2 LEU 2 4.547 0.645 2.510 8 HG LEU 2 HG LEU 2 5.646 3.492 2.785 9 HD11 LEU 2 HD11 LEU 2 4.354 2.794 4.771 10 HD12 LEU 2 HD12 LEU 2 6.076 2.909 5.138 11 HD13 LEU 2 HD13 LEU 2 5.324 1.318 4.897 12 HD21 LEU 2 HD21 LEU 2 7.034 0.795 3.073 13 HD22 LEU 2 HD22 LEU 2 7.740 2.355 3.542 14 HD23 LEU 2 HD23 LEU 2 7.376 2.059 1.846 15 H SER 3 H SER 3 5.502 -0.461 1.192 16 HA SER 3 HA SER 3 6.593 -0.993 -1.356 17 HB2 SER 3 HB3 SER 3 8.978 -1.372 -0.735 18 HB3 SER 3 HB2 SER 3 8.519 0.334 -0.717 19 HG SER 3 HG SER 3 8.215 0.136 1.540 20 H GLN 4 H GLN 4 7.514 -3.179 -1.458 21 HA GLN 4 HA GLN 4 8.104 -5.281 -0.734 22 HB2 GLN 4 HB3 GLN 4 6.099 -5.070 1.531 23 HB3 GLN 4 HB2 GLN 4 7.127 -6.443 1.193 24 HG2 GLN 4 HG3 GLN 4 9.011 -5.491 2.110 25 HG3 GLN 4 HG2 GLN 4 8.502 -3.833 1.794 26 HE21 GLN 4 HE21 GLN 4 6.694 -2.989 3.063 27 HE22 GLN 4 HE22 GLN 4 6.474 -3.508 4.730 28 H GLY 5 H GLY 5 6.793 -5.076 -2.944 29 HA2 GLY 5 HA3 GLY 5 5.662 -7.510 -3.349 30 HA3 GLY 5 HA2 GLY 5 4.248 -6.616 -2.818 31 H VAL 6 H VAL 6 3.060 -6.330 -4.572 32 HA VAL 6 HA VAL 6 4.025 -4.825 -6.899 33 HB VAL 6 HB VAL 6 3.173 -6.472 -8.584 34 HG11 VAL 6 HG11 VAL 6 5.603 -6.228 -8.114 35 HG12 VAL 6 HG12 VAL 6 5.494 -7.637 -7.038 36 HG13 VAL 6 HG13 VAL 6 5.116 -7.806 -8.763 37 HG21 VAL 6 HG21 VAL 6 3.272 -8.503 -6.313 38 HG22 VAL 6 HG22 VAL 6 1.799 -7.914 -7.113 39 HG23 VAL 6 HG23 VAL 6 2.985 -8.836 -8.033 40 H GLU 7 H GLU 7 1.398 -5.547 -4.831 41 HA GLU 7 HA GLU 7 -0.655 -4.527 -6.686 42 HB2 GLU 7 HB3 GLU 7 -0.335 -6.682 -7.649 43 HB3 GLU 7 HB2 GLU 7 -0.310 -7.478 -6.094 44 HG2 GLU 7 HG3 GLU 7 -2.764 -6.917 -5.825 45 HG3 GLU 7 HG2 GLU 7 -2.731 -6.257 -7.466 46 HA PRO 8 HA PRO 8 -3.190 -5.877 -3.091 47 HB2 PRO 8 HB3 PRO 8 -2.414 -7.319 -0.938 48 HB3 PRO 8 HB2 PRO 8 -2.400 -8.017 -2.584 49 HG2 PRO 8 HG3 PRO 8 -0.083 -6.660 -1.154 50 HG3 PRO 8 HG2 PRO 8 -0.120 -8.340 -1.804 51 HD2 PRO 8 HD3 PRO 8 0.866 -6.314 -3.279 52 HD3 PRO 8 HD2 PRO 8 -0.169 -7.567 -4.023 53 H ASP 9 H ASP 9 -1.177 -3.429 -2.641 54 HA ASP 9 HA ASP 9 -1.518 -2.907 0.223 55 HB2 ASP 9 HB2 ASP 9 0.381 -1.950 -0.980 56 HB3 ASP 9 HB3 ASP 9 -0.705 -0.997 -1.968 57 H ILE 10 H ILE 10 -3.529 -2.913 0.830 58 HA ILE 10 HA ILE 10 -5.839 -1.996 -0.427 59 HB ILE 10 HB ILE 10 -5.471 -1.912 2.587 60 HG12 ILE 10 HG13 ILE 10 -5.982 -4.386 0.867 61 HG13 ILE 10 HG12 ILE 10 -4.513 -4.056 1.782 62 HG21 ILE 10 HG21 ILE 10 -7.854 -2.581 2.630 63 HG22 ILE 10 HG22 ILE 10 -7.651 -1.091 1.744 64 HG23 ILE 10 HG23 ILE 10 -7.881 -2.606 0.849 65 HD11 ILE 10 HD11 ILE 10 -5.716 -5.629 3.040 66 HD12 ILE 10 HD12 ILE 10 -5.847 -4.086 3.904 67 HD13 ILE 10 HD13 ILE 10 -7.221 -4.707 2.951 68 H GLY 11 H GLY 11 -3.410 0.027 1.029 69 HA2 GLY 11 HA3 GLY 11 -4.168 2.382 -0.122 70 HA3 GLY 11 HA2 GLY 11 -5.203 2.368 1.299 71 H GLN 12 H GLN 12 -2.148 0.983 2.076 72 HA GLN 12 HA GLN 12 -1.534 2.924 4.000 73 HB2 GLN 12 HB3 GLN 12 -0.807 0.548 3.891 74 HB3 GLN 12 HB2 GLN 12 0.354 0.971 2.636 75 HG2 GLN 12 HG3 GLN 12 1.572 2.409 4.245 76 HG3 GLN 12 HG2 GLN 12 0.407 1.967 5.502 77 HE21 GLN 12 HE21 GLN 12 2.824 1.306 6.397 78 HE22 GLN 12 HE22 GLN 12 3.181 -0.322 6.107 79 H THR 13 H THR 13 -0.942 3.168 0.663 80 HA THR 13 HA THR 13 -0.098 5.880 0.906 81 HB THR 13 HB THR 13 2.048 4.425 -0.633 82 HG1 THR 13 HG1 THR 13 1.853 4.571 2.140 83 HG21 THR 13 HG21 THR 13 2.075 6.943 1.092 84 HG22 THR 13 HG22 THR 13 1.922 6.917 -0.681 85 HG23 THR 13 HG23 THR 13 3.411 6.338 0.088 86 H TYR 14 H TYR 14 -0.513 3.091 -1.119 87 HA TYR 14 HA TYR 14 -1.880 4.089 -3.317 88 HB2 TYR 14 HB3 TYR 14 0.001 3.733 -5.031 89 HB3 TYR 14 HB2 TYR 14 -0.074 5.227 -4.175 90 HD1 TYR 14 HD1 TYR 14 1.773 1.928 -4.100 91 HD2 TYR 14 HD2 TYR 14 1.772 6.136 -3.166 92 HE1 TYR 14 HE1 TYR 14 4.155 1.767 -3.347 93 HE2 TYR 14 HE2 TYR 14 4.171 5.976 -2.475 94 HH TYR 14 HH TYR 14 5.870 2.931 -2.143 95 H PHE 15 H PHE 15 -0.694 1.877 -5.112 96 HA PHE 15 HA PHE 15 -1.944 -0.360 -3.536 97 HB2 PHE 15 HB3 PHE 15 -2.146 0.174 -6.497 98 HB3 PHE 15 HB2 PHE 15 -3.032 -1.014 -5.544 99 HD1 PHE 15 HD2 PHE 15 -4.603 -0.130 -3.676 100 HD2 PHE 15 HD1 PHE 15 -2.952 2.397 -6.745 101 HE1 PHE 15 HE2 PHE 15 -6.300 1.592 -3.153 102 HE2 PHE 15 HE1 PHE 15 -4.666 4.126 -6.244 103 HZ PHE 15 HZ PHE 15 -6.346 3.731 -4.441 104 H GLU 16 H GLU 16 0.257 0.348 -6.142 105 HA GLU 16 HA GLU 16 0.999 -2.182 -6.977 106 HB2 GLU 16 HB3 GLU 16 2.756 -0.921 -8.254 107 HB3 GLU 16 HB2 GLU 16 1.113 -0.375 -8.442 108 HG2 GLU 16 HG3 GLU 16 2.769 1.043 -6.364 109 HG3 GLU 16 HG2 GLU 16 3.188 1.289 -8.055 110 H GLU 17 H GLU 17 1.760 -1.779 -4.020 111 HA GLU 17 HA GLU 17 3.904 -3.672 -4.343 112 HB2 GLU 17 HB3 GLU 17 4.669 -1.089 -3.037 113 HB3 GLU 17 HB2 GLU 17 5.254 -2.599 -2.359 114 HG2 GLU 17 HG3 GLU 17 5.883 -3.043 -4.972 115 HG3 GLU 17 HG2 GLU 17 6.030 -1.285 -4.905 116 H SER 18 H SER 18 3.077 -1.969 -1.367 117 HA SER 18 HA SER 18 3.815 -3.905 0.263 118 HB2 SER 18 HB3 SER 18 1.530 -2.022 0.907 119 HB3 SER 18 HB2 SER 18 2.368 -3.028 2.092 120 HG SER 18 HG SER 18 3.554 -1.088 0.406 121 H ARG 19 H ARG 19 3.438 -5.914 0.149 122 HA ARG 19 HA ARG 19 1.409 -7.699 0.063 123 HB2 ARG 19 HB3 ARG 19 2.903 -9.176 1.382 124 HB3 ARG 19 HB2 ARG 19 3.693 -8.274 0.123 125 HG2 ARG 19 HG3 ARG 19 5.230 -8.142 1.834 126 HG3 ARG 19 HG2 ARG 19 4.420 -6.589 1.964 127 HD2 ARG 19 HD3 ARG 19 3.023 -7.561 3.819 128 HD3 ARG 19 HD2 ARG 19 4.030 -9.013 3.750 129 HE ARG 19 HE ARG 19 5.869 -6.932 4.014 130 HH11 ARG 19 HH11 ARG 19 3.081 -7.731 6.016 131 HH12 ARG 19 HH12 ARG 19 3.730 -6.711 7.301 132 HH21 ARG 19 HH21 ARG 19 6.564 -5.844 5.746 133 HH22 ARG 19 HH22 ARG 19 5.491 -5.715 7.163 134 H ILE 20 H ILE 20 0.345 -5.459 1.888 135 HA ILE 20 HA ILE 20 -0.985 -7.092 3.874 136 HB ILE 20 HB ILE 20 1.126 -7.186 4.937 137 HG12 ILE 20 HG13 ILE 20 -0.383 -5.133 6.557 138 HG13 ILE 20 HG12 ILE 20 -0.991 -6.763 6.284 139 HG21 ILE 20 HG21 ILE 20 2.302 -5.294 3.886 140 HG22 ILE 20 HG22 ILE 20 1.311 -4.143 4.785 141 HG23 ILE 20 HG23 ILE 20 2.441 -5.187 5.629 142 HD11 ILE 20 HD11 ILE 20 0.145 -6.641 8.421 143 HD12 ILE 20 HD12 ILE 20 1.026 -7.725 7.326 144 HD13 ILE 20 HD13 ILE 20 1.634 -6.082 7.649 145 H ASN 21 H ASN 21 -0.129 -3.679 3.145 146 HA ASN 21 HA ASN 21 -0.864 -1.728 3.953 147 HB2 ASN 21 HB3 ASN 21 -2.939 -2.123 2.806 148 HB3 ASN 21 HB2 ASN 21 -3.588 -3.040 4.169 149 HD21 ASN 21 HD21 ASN 21 -3.428 -1.690 6.357 150 HD22 ASN 21 HD22 ASN 21 -3.982 -0.011 6.138 151 H GLN 22 H GLN 22 0.456 -1.586 5.652 152 HA GLN 22 HA GLN 22 -0.291 -2.653 8.348 153 HB2 GLN 22 HB3 GLN 22 1.544 -3.759 6.996 154 HB3 GLN 22 HB2 GLN 22 2.441 -2.259 7.057 155 HG2 GLN 22 HG3 GLN 22 2.505 -2.664 9.633 156 HG3 GLN 22 HG2 GLN 22 1.826 -4.249 9.282 157 HE21 GLN 22 HE21 GLN 22 4.477 -2.018 8.531 158 HE22 GLN 22 HE22 GLN 22 5.730 -3.242 8.318 159 H ASP 23 H ASP 23 1.223 -1.409 10.044 160 HA ASP 23 HA ASP 23 1.653 1.391 9.950 161 HB2 ASP 23 HB3 ASP 23 3.642 -0.651 10.977 162 HB3 ASP 23 HB2 ASP 23 3.263 0.936 11.619 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.936 0.524 1.453 2 HA2 GLY 1 HA3 GLY 1 1.922 -1.023 -0.702 3 HA3 GLY 1 HA2 GLY 1 1.612 0.600 -1.302 4 H LEU 2 H LEU 2 4.049 -0.241 -1.541 5 HA LEU 2 HA LEU 2 5.724 1.225 0.291 6 HB2 LEU 2 HB3 LEU 2 5.079 -0.953 1.512 7 HB3 LEU 2 HB2 LEU 2 6.077 -1.806 0.366 8 HG LEU 2 HG LEU 2 7.013 -1.348 2.654 9 HD11 LEU 2 HD11 LEU 2 9.266 -0.853 2.016 10 HD12 LEU 2 HD12 LEU 2 8.748 -0.176 0.466 11 HD13 LEU 2 HD13 LEU 2 8.527 -1.913 0.815 12 HD21 LEU 2 HD21 LEU 2 7.865 0.787 3.286 13 HD22 LEU 2 HD22 LEU 2 6.154 0.987 2.867 14 HD23 LEU 2 HD23 LEU 2 7.418 1.510 1.727 15 H SER 3 H SER 3 5.749 -1.319 -2.291 16 HA SER 3 HA SER 3 8.074 -0.074 -3.597 17 HB2 SER 3 HB3 SER 3 9.670 -1.959 -3.108 18 HB3 SER 3 HB2 SER 3 9.258 -0.964 -1.711 19 HG SER 3 HG SER 3 7.627 -2.565 -1.242 20 H GLN 4 H GLN 4 5.550 -2.324 -3.932 21 HA GLN 4 HA GLN 4 6.955 -4.071 -5.827 22 HB2 GLN 4 HB3 GLN 4 4.805 -4.274 -3.936 23 HB3 GLN 4 HB2 GLN 4 4.148 -4.719 -5.465 24 HG2 GLN 4 HG3 GLN 4 5.082 -6.683 -4.279 25 HG3 GLN 4 HG2 GLN 4 5.982 -6.398 -5.774 26 HE21 GLN 4 HE21 GLN 4 6.072 -5.324 -2.352 27 HE22 GLN 4 HE22 GLN 4 7.867 -5.274 -2.304 28 H GLY 5 H GLY 5 4.695 -4.883 -7.439 29 HA2 GLY 5 HA3 GLY 5 4.695 -2.576 -9.388 30 HA3 GLY 5 HA2 GLY 5 4.929 -4.254 -9.850 31 H VAL 6 H VAL 6 2.790 -5.325 -8.171 32 HA VAL 6 HA VAL 6 0.295 -4.060 -9.234 33 HB VAL 6 HB VAL 6 0.507 -7.056 -9.398 34 HG11 VAL 6 HG11 VAL 6 -1.010 -6.725 -11.309 35 HG12 VAL 6 HG12 VAL 6 -1.631 -5.884 -9.888 36 HG13 VAL 6 HG13 VAL 6 -0.824 -4.959 -11.170 37 HG21 VAL 6 HG21 VAL 6 1.282 -7.006 -11.737 38 HG22 VAL 6 HG22 VAL 6 1.660 -5.273 -11.578 39 HG23 VAL 6 HG23 VAL 6 2.537 -6.494 -10.615 40 H GLU 7 H GLU 7 1.895 -5.519 -6.681 41 HA GLU 7 HA GLU 7 -0.060 -7.209 -5.577 42 HB2 GLU 7 HB3 GLU 7 2.522 -6.057 -4.475 43 HB3 GLU 7 HB2 GLU 7 1.576 -7.305 -3.677 44 HG2 GLU 7 HG3 GLU 7 3.419 -8.317 -4.910 45 HG3 GLU 7 HG2 GLU 7 1.861 -8.843 -5.528 46 HA PRO 8 HA PRO 8 -2.320 -3.655 -4.374 47 HB2 PRO 8 HB3 PRO 8 -4.683 -4.706 -3.423 48 HB3 PRO 8 HB2 PRO 8 -4.195 -4.683 -5.146 49 HG2 PRO 8 HG3 PRO 8 -3.854 -6.946 -3.149 50 HG3 PRO 8 HG2 PRO 8 -4.551 -7.025 -4.802 51 HD2 PRO 8 HD3 PRO 8 -1.969 -7.692 -4.348 52 HD3 PRO 8 HD2 PRO 8 -2.420 -6.759 -5.806 53 H ASP 9 H ASP 9 -1.623 -2.436 -2.842 54 HA ASP 9 HA ASP 9 -1.175 -3.071 -0.108 55 HB2 ASP 9 HB2 ASP 9 -0.073 -1.365 -1.433 56 HB3 ASP 9 HB3 ASP 9 -1.523 -0.362 -1.395 57 H ILE 10 H ILE 10 -2.982 -4.089 0.552 58 HA ILE 10 HA ILE 10 -5.447 -2.886 1.304 59 HB ILE 10 HB ILE 10 -4.942 -5.255 1.108 60 HG12 ILE 10 HG13 ILE 10 -6.848 -4.225 2.622 61 HG13 ILE 10 HG12 ILE 10 -6.620 -5.936 2.333 62 HG21 ILE 10 HG21 ILE 10 -3.374 -5.036 3.690 63 HG22 ILE 10 HG22 ILE 10 -3.835 -6.547 2.881 64 HG23 ILE 10 HG23 ILE 10 -2.739 -5.420 2.089 65 HD11 ILE 10 HD11 ILE 10 -5.584 -6.260 4.516 66 HD12 ILE 10 HD12 ILE 10 -5.677 -4.520 4.854 67 HD13 ILE 10 HD13 ILE 10 -7.157 -5.469 4.676 68 H GLY 11 H GLY 11 -2.446 -1.842 2.396 69 HA2 GLY 11 HA3 GLY 11 -3.547 -0.740 4.944 70 HA3 GLY 11 HA2 GLY 11 -1.845 -0.824 4.486 71 H GLN 12 H GLN 12 -3.098 0.058 1.693 72 HA GLN 12 HA GLN 12 -3.235 1.886 0.445 73 HB2 GLN 12 HB3 GLN 12 -5.445 1.614 1.756 74 HB3 GLN 12 HB2 GLN 12 -4.975 3.078 2.608 75 HG2 GLN 12 HG3 GLN 12 -4.656 3.557 -0.240 76 HG3 GLN 12 HG2 GLN 12 -6.192 2.735 -0.010 77 HE21 GLN 12 HE21 GLN 12 -4.284 5.440 1.396 78 HE22 GLN 12 HE22 GLN 12 -5.726 6.466 1.642 79 H THR 13 H THR 13 -0.951 2.159 2.538 80 HA THR 13 HA THR 13 -0.401 4.985 2.769 81 HB THR 13 HB THR 13 2.076 4.016 2.518 82 HG1 THR 13 HG1 THR 13 2.147 1.920 2.351 83 HG21 THR 13 HG21 THR 13 0.213 3.413 4.843 84 HG22 THR 13 HG22 THR 13 1.183 4.880 4.607 85 HG23 THR 13 HG23 THR 13 1.991 3.329 4.913 86 H TYR 14 H TYR 14 0.551 2.614 0.375 87 HA TYR 14 HA TYR 14 0.256 4.575 -1.818 88 HB2 TYR 14 HB3 TYR 14 2.499 2.577 -1.672 89 HB3 TYR 14 HB2 TYR 14 2.226 3.723 -2.982 90 HD1 TYR 14 HD1 TYR 14 1.899 6.286 -1.405 91 HD2 TYR 14 HD2 TYR 14 4.620 2.978 -0.974 92 HE1 TYR 14 HE1 TYR 14 3.562 7.790 -0.302 93 HE2 TYR 14 HE2 TYR 14 6.271 4.457 0.128 94 HH TYR 14 HH TYR 14 6.677 6.531 0.881 95 H PHE 15 H PHE 15 1.092 2.085 -3.621 96 HA PHE 15 HA PHE 15 -1.621 0.812 -3.432 97 HB2 PHE 15 HB3 PHE 15 0.009 1.333 -5.920 98 HB3 PHE 15 HB2 PHE 15 -1.680 0.858 -5.813 99 HD1 PHE 15 HD1 PHE 15 -3.352 2.521 -4.761 100 HD2 PHE 15 HD2 PHE 15 0.663 3.619 -5.854 101 HE1 PHE 15 HE1 PHE 15 -3.995 4.922 -4.689 102 HE2 PHE 15 HE2 PHE 15 0.028 6.020 -5.790 103 HZ PHE 15 HZ PHE 15 -2.305 6.677 -5.205 104 H GLU 16 H GLU 16 1.659 0.053 -3.297 105 HA GLU 16 HA GLU 16 1.411 -2.682 -4.404 106 HB2 GLU 16 HB3 GLU 16 3.379 -2.237 -5.669 107 HB3 GLU 16 HB2 GLU 16 2.097 -1.127 -6.055 108 HG2 GLU 16 HG3 GLU 16 4.721 -0.509 -4.691 109 HG3 GLU 16 HG2 GLU 16 4.057 0.160 -6.170 110 H GLU 17 H GLU 17 1.423 -3.705 -2.408 111 HA GLU 17 HA GLU 17 3.288 -2.890 -0.299 112 HB2 GLU 17 HB3 GLU 17 0.686 -3.932 -0.384 113 HB3 GLU 17 HB2 GLU 17 1.611 -5.231 0.320 114 HG2 GLU 17 HG3 GLU 17 1.596 -2.341 1.323 115 HG3 GLU 17 HG2 GLU 17 0.634 -3.658 2.007 116 H SER 18 H SER 18 3.986 -4.801 1.215 117 HA SER 18 HA SER 18 5.928 -6.517 -0.242 118 HB2 SER 18 HB3 SER 18 7.706 -5.324 0.982 119 HB3 SER 18 HB2 SER 18 6.786 -4.234 -0.064 120 HG SER 18 HG SER 18 5.511 -3.717 1.928 121 H ARG 19 H ARG 19 4.057 -6.031 2.710 122 HA ARG 19 HA ARG 19 5.117 -8.599 3.697 123 HB2 ARG 19 HB3 ARG 19 5.531 -7.880 5.926 124 HB3 ARG 19 HB2 ARG 19 6.576 -7.050 4.798 125 HG2 ARG 19 HG3 ARG 19 4.149 -5.763 6.135 126 HG3 ARG 19 HG2 ARG 19 5.789 -5.720 6.744 127 HD2 ARG 19 HD3 ARG 19 6.493 -4.581 4.598 128 HD3 ARG 19 HD2 ARG 19 4.775 -4.455 4.193 129 HE ARG 19 HE ARG 19 5.253 -3.479 6.864 130 HH11 ARG 19 HH11 ARG 19 4.477 -2.425 3.677 131 HH12 ARG 19 HH12 ARG 19 4.426 -0.774 4.210 132 HH21 ARG 19 HH21 ARG 19 5.390 -1.496 7.390 133 HH22 ARG 19 HH22 ARG 19 4.638 -0.340 6.406 134 H ILE 20 H ILE 20 2.662 -6.134 4.445 135 HA ILE 20 HA ILE 20 0.547 -8.071 4.659 136 HB ILE 20 HB ILE 20 -0.059 -7.455 7.087 137 HG12 ILE 20 HG13 ILE 20 2.941 -7.199 7.507 138 HG13 ILE 20 HG12 ILE 20 1.890 -5.792 7.367 139 HG21 ILE 20 HG21 ILE 20 0.597 -9.733 6.229 140 HG22 ILE 20 HG22 ILE 20 2.229 -9.418 6.852 141 HG23 ILE 20 HG23 ILE 20 0.847 -9.452 7.957 142 HD11 ILE 20 HD11 ILE 20 2.267 -6.286 9.697 143 HD12 ILE 20 HD12 ILE 20 0.560 -6.567 9.306 144 HD13 ILE 20 HD13 ILE 20 1.676 -7.944 9.503 145 H ASN 21 H ASN 21 1.602 -4.733 5.422 146 HA ASN 21 HA ASN 21 -0.846 -3.513 4.630 147 HB2 ASN 21 HB3 ASN 21 -1.260 -4.793 7.002 148 HB3 ASN 21 HB2 ASN 21 -0.496 -3.354 7.641 149 HD21 ASN 21 HD21 ASN 21 -3.157 -4.602 5.696 150 HD22 ASN 21 HD22 ASN 21 -4.120 -3.106 5.763 151 H GLN 22 H GLN 22 -0.641 -1.284 6.538 152 HA GLN 22 HA GLN 22 1.707 0.098 5.461 153 HB2 GLN 22 HB3 GLN 22 0.958 2.002 6.732 154 HB3 GLN 22 HB2 GLN 22 -0.326 1.314 5.738 155 HG2 GLN 22 HG3 GLN 22 -1.304 0.262 7.802 156 HG3 GLN 22 HG2 GLN 22 -0.029 1.018 8.760 157 HE21 GLN 22 HE21 GLN 22 -2.438 2.122 6.156 158 HE22 GLN 22 HE22 GLN 22 -2.822 3.536 7.144 159 H ASP 23 H ASP 23 1.059 -1.792 8.309 160 HA ASP 23 HA ASP 23 3.150 -1.104 10.045 161 HB2 ASP 23 HB3 ASP 23 1.816 -3.806 9.601 162 HB3 ASP 23 HB2 ASP 23 2.639 -3.267 11.060 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.055 -1.200 3.504 2 HA2 GLY 1 HA3 GLY 1 0.620 -0.707 0.669 3 HA3 GLY 1 HA2 GLY 1 0.459 0.474 1.975 4 H LEU 2 H LEU 2 2.215 0.907 3.272 5 HA LEU 2 HA LEU 2 4.234 1.225 3.968 6 HB2 LEU 2 HB3 LEU 2 3.409 -0.673 5.185 7 HB3 LEU 2 HB2 LEU 2 4.203 -1.807 4.104 8 HG LEU 2 HG LEU 2 5.873 0.305 5.510 9 HD11 LEU 2 HD11 LEU 2 4.865 -2.245 6.824 10 HD12 LEU 2 HD12 LEU 2 4.422 -0.591 7.271 11 HD13 LEU 2 HD13 LEU 2 6.092 -1.135 7.491 12 HD21 LEU 2 HD21 LEU 2 6.355 -2.642 4.851 13 HD22 LEU 2 HD22 LEU 2 7.526 -1.541 5.618 14 HD23 LEU 2 HD23 LEU 2 7.014 -1.259 3.956 15 H SER 3 H SER 3 4.460 -0.900 1.177 16 HA SER 3 HA SER 3 6.760 0.442 0.090 17 HB2 SER 3 HB3 SER 3 7.827 -1.049 1.834 18 HB3 SER 3 HB2 SER 3 7.129 -2.446 1.006 19 HG SER 3 HG SER 3 9.024 -0.581 0.014 20 H GLN 4 H GLN 4 7.428 -0.786 -2.027 21 HA GLN 4 HA GLN 4 5.045 -1.677 -3.447 22 HB2 GLN 4 HB3 GLN 4 6.411 -1.713 -5.372 23 HB3 GLN 4 HB2 GLN 4 6.875 -0.300 -4.401 24 HG2 GLN 4 HG3 GLN 4 8.855 -1.578 -3.561 25 HG3 GLN 4 HG2 GLN 4 8.436 -2.887 -4.671 26 HE21 GLN 4 HE21 GLN 4 7.619 -0.059 -6.465 27 HE22 GLN 4 HE22 GLN 4 9.222 0.107 -7.155 28 H GLY 5 H GLY 5 4.699 -3.682 -4.443 29 HA2 GLY 5 HA3 GLY 5 6.376 -6.028 -3.991 30 HA3 GLY 5 HA2 GLY 5 4.834 -6.033 -3.110 31 H VAL 6 H VAL 6 2.893 -5.910 -4.341 32 HA VAL 6 HA VAL 6 2.826 -6.145 -7.218 33 HB VAL 6 HB VAL 6 1.885 -8.632 -5.707 34 HG11 VAL 6 HG11 VAL 6 0.463 -8.088 -7.668 35 HG12 VAL 6 HG12 VAL 6 1.909 -7.992 -8.694 36 HG13 VAL 6 HG13 VAL 6 1.406 -9.536 -7.959 37 HG21 VAL 6 HG21 VAL 6 4.215 -8.370 -7.632 38 HG22 VAL 6 HG22 VAL 6 4.296 -8.796 -5.906 39 HG23 VAL 6 HG23 VAL 6 3.527 -9.903 -7.044 40 H GLU 7 H GLU 7 0.923 -7.175 -4.433 41 HA GLU 7 HA GLU 7 -1.341 -5.394 -5.000 42 HB2 GLU 7 HB3 GLU 7 -2.939 -7.201 -5.345 43 HB3 GLU 7 HB2 GLU 7 -1.701 -7.176 -6.593 44 HG2 GLU 7 HG3 GLU 7 -0.516 -9.053 -5.381 45 HG3 GLU 7 HG2 GLU 7 -1.879 -9.131 -4.262 46 HA PRO 8 HA PRO 8 -2.332 -7.660 -1.002 47 HB2 PRO 8 HB3 PRO 8 -0.645 -9.208 0.403 48 HB3 PRO 8 HB2 PRO 8 -1.296 -9.740 -1.174 49 HG2 PRO 8 HG3 PRO 8 1.395 -8.414 -0.661 50 HG3 PRO 8 HG2 PRO 8 1.069 -9.937 -1.543 51 HD2 PRO 8 HD3 PRO 8 1.334 -7.489 -2.748 52 HD3 PRO 8 HD2 PRO 8 0.287 -8.786 -3.393 53 H ASP 9 H ASP 9 -2.061 -5.166 -0.773 54 HA ASP 9 HA ASP 9 -1.287 -4.991 2.040 55 HB2 ASP 9 HB2 ASP 9 0.742 -4.167 0.912 56 HB3 ASP 9 HB3 ASP 9 -0.171 -2.817 0.266 57 H ILE 10 H ILE 10 -2.152 -1.996 0.260 58 HA ILE 10 HA ILE 10 -4.798 -2.036 1.653 59 HB ILE 10 HB ILE 10 -2.575 -0.028 2.141 60 HG12 ILE 10 HG13 ILE 10 -2.451 -2.019 3.612 61 HG13 ILE 10 HG12 ILE 10 -2.756 -0.531 4.475 62 HG21 ILE 10 HG21 ILE 10 -5.501 0.204 2.941 63 HG22 ILE 10 HG22 ILE 10 -4.185 1.196 3.615 64 HG23 ILE 10 HG23 ILE 10 -4.579 1.295 1.901 65 HD11 ILE 10 HD11 ILE 10 -4.900 -2.601 3.832 66 HD12 ILE 10 HD12 ILE 10 -4.048 -2.429 5.374 67 HD13 ILE 10 HD13 ILE 10 -5.106 -1.132 4.814 68 H GLY 11 H GLY 11 -2.676 -0.214 -0.605 69 HA2 GLY 11 HA3 GLY 11 -3.253 0.903 -2.545 70 HA3 GLY 11 HA2 GLY 11 -4.955 0.528 -2.274 71 H GLN 12 H GLN 12 -2.863 2.252 -0.011 72 HA GLN 12 HA GLN 12 -4.374 4.796 -0.487 73 HB2 GLN 12 HB3 GLN 12 -5.395 3.617 1.385 74 HB3 GLN 12 HB2 GLN 12 -3.836 3.523 2.217 75 HG2 GLN 12 HG3 GLN 12 -3.774 5.928 2.525 76 HG3 GLN 12 HG2 GLN 12 -5.154 6.155 1.438 77 HE21 GLN 12 HE21 GLN 12 -4.425 4.182 4.447 78 HE22 GLN 12 HE22 GLN 12 -5.984 4.589 5.157 79 H THR 13 H THR 13 -1.562 3.713 1.589 80 HA THR 13 HA THR 13 -0.104 6.179 1.073 81 HB THR 13 HB THR 13 1.806 4.813 2.107 82 HG1 THR 13 HG1 THR 13 1.056 2.940 3.213 83 HG21 THR 13 HG21 THR 13 0.377 6.359 3.412 84 HG22 THR 13 HG22 THR 13 0.883 4.944 4.351 85 HG23 THR 13 HG23 THR 13 -0.774 5.034 3.704 86 H TYR 14 H TYR 14 -0.345 3.145 -0.563 87 HA TYR 14 HA TYR 14 1.595 3.979 -2.627 88 HB2 TYR 14 HB3 TYR 14 1.501 1.279 -1.220 89 HB3 TYR 14 HB2 TYR 14 2.288 1.517 -2.766 90 HD1 TYR 14 HD2 TYR 14 2.399 2.426 0.823 91 HD2 TYR 14 HD1 TYR 14 4.511 2.439 -2.937 92 HE1 TYR 14 HE2 TYR 14 4.500 2.962 2.018 93 HE2 TYR 14 HE1 TYR 14 6.632 2.910 -1.739 94 HH TYR 14 HH TYR 14 6.775 2.676 1.763 95 H PHE 15 H PHE 15 1.310 2.431 -4.517 96 HA PHE 15 HA PHE 15 -1.385 1.291 -4.870 97 HB2 PHE 15 HB3 PHE 15 -0.170 3.182 -6.921 98 HB3 PHE 15 HB2 PHE 15 -1.716 2.348 -7.043 99 HD1 PHE 15 HD2 PHE 15 -3.497 2.858 -5.182 100 HD2 PHE 15 HD1 PHE 15 -0.053 5.341 -5.918 101 HE1 PHE 15 HE2 PHE 15 -4.553 4.697 -3.907 102 HE2 PHE 15 HE1 PHE 15 -1.117 7.186 -4.638 103 HZ PHE 15 HZ PHE 15 -3.361 6.857 -3.617 104 H GLU 16 H GLU 16 0.958 0.090 -4.283 105 HA GLU 16 HA GLU 16 1.619 -1.685 -6.534 106 HB2 GLU 16 HB3 GLU 16 4.082 -1.242 -6.441 107 HB3 GLU 16 HB2 GLU 16 3.110 0.019 -7.193 108 HG2 GLU 16 HG3 GLU 16 3.250 1.421 -5.188 109 HG3 GLU 16 HG2 GLU 16 4.123 0.156 -4.327 110 H GLU 17 H GLU 17 1.438 -1.099 -3.269 111 HA GLU 17 HA GLU 17 1.303 -2.374 -1.483 112 HB2 GLU 17 HB3 GLU 17 0.070 -4.073 -3.640 113 HB3 GLU 17 HB2 GLU 17 -0.363 -4.033 -1.935 114 HG2 GLU 17 HG3 GLU 17 -0.937 -2.034 -4.096 115 HG3 GLU 17 HG2 GLU 17 -2.019 -2.697 -2.874 116 H SER 18 H SER 18 2.830 -3.054 -0.357 117 HA SER 18 HA SER 18 4.809 -4.778 -0.951 118 HB2 SER 18 HB3 SER 18 5.375 -4.832 1.426 119 HB3 SER 18 HB2 SER 18 4.941 -3.221 0.890 120 HG SER 18 HG SER 18 3.161 -3.255 2.040 121 H ARG 19 H ARG 19 2.381 -5.839 1.371 122 HA ARG 19 HA ARG 19 2.017 -8.514 1.394 123 HB2 ARG 19 HB3 ARG 19 4.032 -9.646 2.291 124 HB3 ARG 19 HB2 ARG 19 4.261 -9.073 0.680 125 HG2 ARG 19 HG3 ARG 19 5.136 -6.902 2.299 126 HG3 ARG 19 HG2 ARG 19 5.631 -8.309 3.207 127 HD2 ARG 19 HD3 ARG 19 7.253 -8.885 1.703 128 HD3 ARG 19 HD2 ARG 19 6.283 -8.462 0.304 129 HE ARG 19 HE ARG 19 7.810 -6.492 1.975 130 HH11 ARG 19 HH11 ARG 19 6.117 -7.053 -1.053 131 HH12 ARG 19 HH12 ARG 19 6.931 -5.700 -1.798 132 HH21 ARG 19 HH21 ARG 19 8.575 -4.596 0.879 133 HH22 ARG 19 HH22 ARG 19 8.039 -4.396 -0.769 134 H ILE 20 H ILE 20 2.173 -5.719 3.180 135 HA ILE 20 HA ILE 20 2.357 -7.152 5.793 136 HB ILE 20 HB ILE 20 2.574 -4.194 5.170 137 HG12 ILE 20 HG13 ILE 20 4.485 -5.341 4.181 138 HG13 ILE 20 HG12 ILE 20 4.977 -4.419 5.579 139 HG21 ILE 20 HG21 ILE 20 3.605 -4.072 7.472 140 HG22 ILE 20 HG22 ILE 20 1.892 -4.450 7.463 141 HG23 ILE 20 HG23 ILE 20 3.060 -5.745 7.748 142 HD11 ILE 20 HD11 ILE 20 6.137 -6.570 5.473 143 HD12 ILE 20 HD12 ILE 20 5.121 -6.506 6.922 144 HD13 ILE 20 HD13 ILE 20 4.599 -7.446 5.504 145 H ASN 21 H ASN 21 0.030 -5.491 3.881 146 HA ASN 21 HA ASN 21 -1.979 -4.635 4.158 147 HB2 ASN 21 HB3 ASN 21 -3.733 -5.811 5.289 148 HB3 ASN 21 HB2 ASN 21 -2.742 -6.887 4.320 149 HD21 ASN 21 HD21 ASN 21 -2.713 -5.702 7.695 150 HD22 ASN 21 HD22 ASN 21 -2.380 -7.325 8.339 151 H GLN 22 H GLN 22 -0.087 -3.191 5.213 152 HA GLN 22 HA GLN 22 -1.636 -1.582 7.128 153 HB2 GLN 22 HB3 GLN 22 0.013 -2.973 8.518 154 HB3 GLN 22 HB2 GLN 22 1.309 -2.184 7.615 155 HG2 GLN 22 HG3 GLN 22 -0.140 0.015 8.515 156 HG3 GLN 22 HG2 GLN 22 -0.412 -1.139 9.807 157 HE21 GLN 22 HE21 GLN 22 2.075 0.800 8.047 158 HE22 GLN 22 HE22 GLN 22 3.274 0.515 9.306 159 H ASP 23 H ASP 23 -1.509 0.552 6.557 160 HA ASP 23 HA ASP 23 -0.434 1.700 4.336 161 HB2 ASP 23 HB3 ASP 23 -0.922 2.810 7.119 162 HB3 ASP 23 HB2 ASP 23 -0.577 3.821 5.730 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.186 -2.136 -0.363 2 HA2 GLY 1 HA3 GLY 1 2.384 -0.179 -2.094 3 HA3 GLY 1 HA2 GLY 1 1.711 0.593 -0.663 4 H LEU 2 H LEU 2 4.316 0.550 -1.513 5 HA LEU 2 HA LEU 2 6.207 1.020 -0.337 6 HB2 LEU 2 HB3 LEU 2 5.189 0.067 1.846 7 HB3 LEU 2 HB2 LEU 2 5.991 -1.433 1.394 8 HG LEU 2 HG LEU 2 8.182 -0.037 1.271 9 HD11 LEU 2 HD11 LEU 2 6.442 1.891 2.865 10 HD12 LEU 2 HD12 LEU 2 7.142 2.216 1.262 11 HD13 LEU 2 HD13 LEU 2 8.206 1.996 2.654 12 HD21 LEU 2 HD21 LEU 2 8.494 -0.161 3.707 13 HD22 LEU 2 HD22 LEU 2 7.678 -1.605 3.084 14 HD23 LEU 2 HD23 LEU 2 6.737 -0.352 3.930 15 H SER 3 H SER 3 5.747 -0.118 -2.723 16 HA SER 3 HA SER 3 6.731 -1.102 -4.489 17 HB2 SER 3 HB3 SER 3 9.150 -0.761 -4.692 18 HB3 SER 3 HB2 SER 3 8.280 0.660 -4.093 19 HG SER 3 HG SER 3 9.159 -1.052 -2.142 20 H GLN 4 H GLN 4 5.942 -3.115 -4.516 21 HA GLN 4 HA GLN 4 8.176 -5.075 -4.623 22 HB2 GLN 4 HB3 GLN 4 7.030 -5.264 -2.389 23 HB3 GLN 4 HB2 GLN 4 5.562 -5.737 -3.237 24 HG2 GLN 4 HG3 GLN 4 6.809 -7.733 -4.157 25 HG3 GLN 4 HG2 GLN 4 8.230 -7.225 -3.227 26 HE21 GLN 4 HE21 GLN 4 4.965 -8.397 -3.039 27 HE22 GLN 4 HE22 GLN 4 4.900 -8.594 -1.308 28 H GLY 5 H GLY 5 4.930 -4.167 -5.829 29 HA2 GLY 5 HA3 GLY 5 5.023 -5.756 -8.210 30 HA3 GLY 5 HA2 GLY 5 4.287 -6.688 -6.910 31 H VAL 6 H VAL 6 2.112 -6.571 -6.825 32 HA VAL 6 HA VAL 6 0.619 -4.213 -7.850 33 HB VAL 6 HB VAL 6 -0.754 -5.700 -9.335 34 HG11 VAL 6 HG11 VAL 6 1.006 -4.200 -10.220 35 HG12 VAL 6 HG12 VAL 6 2.163 -5.544 -10.152 36 HG13 VAL 6 HG13 VAL 6 0.740 -5.649 -11.210 37 HG21 VAL 6 HG21 VAL 6 0.117 -7.819 -10.113 38 HG22 VAL 6 HG22 VAL 6 1.543 -7.688 -9.062 39 HG23 VAL 6 HG23 VAL 6 -0.067 -7.908 -8.359 40 H GLU 7 H GLU 7 0.476 -6.953 -5.640 41 HA GLU 7 HA GLU 7 -2.478 -6.465 -5.350 42 HB2 GLU 7 HB3 GLU 7 -0.929 -9.025 -5.381 43 HB3 GLU 7 HB2 GLU 7 -2.443 -8.901 -4.471 44 HG2 GLU 7 HG3 GLU 7 -3.630 -8.144 -6.497 45 HG3 GLU 7 HG2 GLU 7 -2.139 -8.269 -7.430 46 HA PRO 8 HA PRO 8 -1.923 -7.164 -0.787 47 HB2 PRO 8 HB3 PRO 8 0.458 -7.861 0.429 48 HB3 PRO 8 HB2 PRO 8 -0.755 -9.011 -0.202 49 HG2 PRO 8 HG3 PRO 8 1.729 -7.988 -1.607 50 HG3 PRO 8 HG2 PRO 8 1.181 -9.685 -1.426 51 HD2 PRO 8 HD3 PRO 8 0.628 -8.354 -3.694 52 HD3 PRO 8 HD2 PRO 8 -0.621 -9.364 -2.938 53 H ASP 9 H ASP 9 -2.175 -4.951 -1.252 54 HA ASP 9 HA ASP 9 -0.234 -3.173 0.184 55 HB2 ASP 9 HB2 ASP 9 -0.418 -3.323 -2.495 56 HB3 ASP 9 HB3 ASP 9 -1.844 -2.355 -2.258 57 H ILE 10 H ILE 10 -3.300 -4.224 0.380 58 HA ILE 10 HA ILE 10 -4.878 -1.855 0.149 59 HB ILE 10 HB ILE 10 -6.742 -3.374 0.911 60 HG12 ILE 10 HG13 ILE 10 -4.698 -5.631 0.642 61 HG13 ILE 10 HG12 ILE 10 -5.167 -4.980 2.209 62 HG21 ILE 10 HG21 ILE 10 -6.773 -4.555 -1.237 63 HG22 ILE 10 HG22 ILE 10 -6.126 -2.927 -1.451 64 HG23 ILE 10 HG23 ILE 10 -5.026 -4.317 -1.433 65 HD11 ILE 10 HD11 ILE 10 -6.465 -6.966 1.753 66 HD12 ILE 10 HD12 ILE 10 -7.544 -5.557 1.746 67 HD13 ILE 10 HD13 ILE 10 -7.040 -6.310 0.212 68 H GLY 11 H GLY 11 -3.703 -0.521 1.698 69 HA2 GLY 11 HA3 GLY 11 -5.552 0.142 3.794 70 HA3 GLY 11 HA2 GLY 11 -4.069 -0.503 4.501 71 H GLN 12 H GLN 12 -4.275 1.897 5.330 72 HA GLN 12 HA GLN 12 -3.268 3.993 3.636 73 HB2 GLN 12 HB3 GLN 12 -4.403 4.348 5.804 74 HB3 GLN 12 HB2 GLN 12 -3.031 3.648 6.642 75 HG2 GLN 12 HG3 GLN 12 -2.021 5.757 4.921 76 HG3 GLN 12 HG2 GLN 12 -3.443 6.369 5.759 77 HE21 GLN 12 HE21 GLN 12 -0.536 4.383 6.562 78 HE22 GLN 12 HE22 GLN 12 -0.395 5.108 8.156 79 H THR 13 H THR 13 -1.636 2.868 2.401 80 HA THR 13 HA THR 13 1.041 3.285 3.659 81 HB THR 13 HB THR 13 0.375 0.746 2.121 82 HG1 THR 13 HG1 THR 13 0.126 1.424 4.693 83 HG21 THR 13 HG21 THR 13 2.917 1.658 3.552 84 HG22 THR 13 HG22 THR 13 2.737 1.382 1.803 85 HG23 THR 13 HG23 THR 13 2.621 0.023 2.926 86 H TYR 14 H TYR 14 0.477 1.925 0.421 87 HA TYR 14 HA TYR 14 0.906 4.381 -0.994 88 HB2 TYR 14 HB3 TYR 14 3.182 2.358 -1.033 89 HB3 TYR 14 HB2 TYR 14 3.013 3.741 -2.100 90 HD1 TYR 14 HD1 TYR 14 2.889 6.084 -1.088 91 HD2 TYR 14 HD2 TYR 14 4.453 2.640 0.961 92 HE1 TYR 14 HE1 TYR 14 4.134 7.584 0.487 93 HE2 TYR 14 HE2 TYR 14 5.661 4.130 2.551 94 HH TYR 14 HH TYR 14 5.946 6.262 3.235 95 H PHE 15 H PHE 15 1.941 2.805 -3.439 96 HA PHE 15 HA PHE 15 -0.727 1.591 -4.060 97 HB2 PHE 15 HB3 PHE 15 0.699 3.664 -5.742 98 HB3 PHE 15 HB2 PHE 15 -0.969 3.120 -5.875 99 HD1 PHE 15 HD2 PHE 15 -2.526 3.609 -3.803 100 HD2 PHE 15 HD1 PHE 15 1.242 5.577 -4.474 101 HE1 PHE 15 HE2 PHE 15 -3.194 5.415 -2.235 102 HE2 PHE 15 HE1 PHE 15 0.576 7.391 -2.907 103 HZ PHE 15 HZ PHE 15 -1.644 7.308 -1.781 104 H GLU 16 H GLU 16 2.183 0.588 -3.956 105 HA GLU 16 HA GLU 16 2.251 -0.907 -6.510 106 HB2 GLU 16 HB3 GLU 16 4.499 -0.219 -7.031 107 HB3 GLU 16 HB2 GLU 16 3.402 1.136 -6.965 108 HG2 GLU 16 HG3 GLU 16 5.694 0.501 -5.142 109 HG3 GLU 16 HG2 GLU 16 5.388 1.947 -6.061 110 H GLU 17 H GLU 17 1.681 -1.626 -3.821 111 HA GLU 17 HA GLU 17 1.612 -3.579 -2.698 112 HB2 GLU 17 HB3 GLU 17 2.138 -4.468 -5.004 113 HB3 GLU 17 HB2 GLU 17 3.799 -4.654 -4.414 114 HG2 GLU 17 HG3 GLU 17 2.865 -6.146 -2.576 115 HG3 GLU 17 HG2 GLU 17 1.331 -6.062 -3.432 116 H SER 18 H SER 18 2.424 -4.680 -0.943 117 HA SER 18 HA SER 18 5.125 -5.361 -1.014 118 HB2 SER 18 HB3 SER 18 6.020 -4.608 1.108 119 HB3 SER 18 HB2 SER 18 5.633 -3.246 0.081 120 HG SER 18 HG SER 18 3.983 -2.711 1.335 121 H ARG 19 H ARG 19 3.275 -5.032 1.760 122 HA ARG 19 HA ARG 19 1.798 -6.645 2.861 123 HB2 ARG 19 HB3 ARG 19 2.589 -8.770 3.637 124 HB3 ARG 19 HB2 ARG 19 2.112 -8.677 1.975 125 HG2 ARG 19 HG3 ARG 19 3.879 -10.284 2.628 126 HG3 ARG 19 HG2 ARG 19 4.146 -9.411 1.175 127 HD2 ARG 19 HD3 ARG 19 5.498 -8.635 3.792 128 HD3 ARG 19 HD2 ARG 19 6.084 -9.916 2.766 129 HE ARG 19 HE ARG 19 6.307 -8.280 0.887 130 HH11 ARG 19 HH11 ARG 19 6.107 -6.749 3.978 131 HH12 ARG 19 HH12 ARG 19 7.312 -5.551 3.569 132 HH21 ARG 19 HH21 ARG 19 7.712 -6.839 0.390 133 HH22 ARG 19 HH22 ARG 19 8.210 -5.556 1.476 134 H ILE 20 H ILE 20 2.240 -4.704 3.766 135 HA ILE 20 HA ILE 20 3.634 -4.921 6.376 136 HB ILE 20 HB ILE 20 3.785 -2.512 4.513 137 HG12 ILE 20 HG13 ILE 20 5.531 -4.161 4.062 138 HG13 ILE 20 HG12 ILE 20 6.173 -2.660 4.686 139 HG21 ILE 20 HG21 ILE 20 5.018 -1.378 6.391 140 HG22 ILE 20 HG22 ILE 20 3.302 -1.620 6.700 141 HG23 ILE 20 HG23 ILE 20 4.481 -2.688 7.472 142 HD11 ILE 20 HD11 ILE 20 7.365 -4.582 5.627 143 HD12 ILE 20 HD12 ILE 20 6.538 -3.688 6.907 144 HD13 ILE 20 HD13 ILE 20 5.862 -5.221 6.313 145 H ASN 21 H ASN 21 1.646 -2.563 4.574 146 HA ASN 21 HA ASN 21 -0.437 -1.814 4.741 147 HB2 ASN 21 HB3 ASN 21 -0.709 -4.543 5.420 148 HB3 ASN 21 HB2 ASN 21 -1.586 -3.708 6.686 149 HD21 ASN 21 HD21 ASN 21 -3.677 -2.709 6.103 150 HD22 ASN 21 HD22 ASN 21 -4.235 -2.930 4.455 151 H GLN 22 H GLN 22 -2.184 -1.124 6.323 152 HA GLN 22 HA GLN 22 -1.478 -0.798 9.091 153 HB2 GLN 22 HB3 GLN 22 -0.777 1.378 7.773 154 HB3 GLN 22 HB2 GLN 22 -2.507 1.664 7.646 155 HG2 GLN 22 HG3 GLN 22 -2.568 1.521 10.236 156 HG3 GLN 22 HG2 GLN 22 -0.814 1.409 10.177 157 HE21 GLN 22 HE21 GLN 22 -3.577 3.516 9.132 158 HE22 GLN 22 HE22 GLN 22 -2.626 4.997 9.289 159 H ASP 23 H ASP 23 -3.832 0.573 9.769 160 HA ASP 23 HA ASP 23 -6.149 -0.358 8.217 161 HB2 ASP 23 HB3 ASP 23 -6.313 -0.117 10.753 162 HB3 ASP 23 HB2 ASP 23 -5.944 1.586 10.569 Start of MODEL 14 1 H1 GLY 1 H GLY 1 0.859 -0.719 3.439 2 HA2 GLY 1 HA3 GLY 1 1.681 -0.059 0.641 3 HA3 GLY 1 HA2 GLY 1 1.256 1.150 1.846 4 H LEU 2 H LEU 2 3.067 2.181 2.541 5 HA LEU 2 HA LEU 2 5.206 2.824 2.577 6 HB2 LEU 2 HB3 LEU 2 4.906 1.532 4.615 7 HB3 LEU 2 HB2 LEU 2 5.562 0.096 3.863 8 HG LEU 2 HG LEU 2 7.010 1.316 5.481 9 HD11 LEU 2 HD11 LEU 2 8.330 1.064 2.769 10 HD12 LEU 2 HD12 LEU 2 7.925 -0.295 3.838 11 HD13 LEU 2 HD13 LEU 2 9.072 0.949 4.370 12 HD21 LEU 2 HD21 LEU 2 7.405 3.364 3.271 13 HD22 LEU 2 HD22 LEU 2 8.244 3.286 4.839 14 HD23 LEU 2 HD23 LEU 2 6.508 3.622 4.789 15 H SER 3 H SER 3 5.023 -0.319 0.934 16 HA SER 3 HA SER 3 6.981 0.637 -1.071 17 HB2 SER 3 HB3 SER 3 7.983 -1.682 -1.098 18 HB3 SER 3 HB2 SER 3 8.307 -0.712 0.341 19 HG SER 3 HG SER 3 6.795 -3.048 0.054 20 H GLN 4 H GLN 4 7.047 -0.829 -3.018 21 HA GLN 4 HA GLN 4 4.369 -1.695 -3.938 22 HB2 GLN 4 HB3 GLN 4 4.676 -0.186 -5.922 23 HB3 GLN 4 HB2 GLN 4 4.321 0.638 -4.399 24 HG2 GLN 4 HG3 GLN 4 6.575 1.433 -4.194 25 HG3 GLN 4 HG2 GLN 4 7.154 0.346 -5.457 26 HE21 GLN 4 HE21 GLN 4 4.093 1.989 -6.368 27 HE22 GLN 4 HE22 GLN 4 4.990 3.170 -7.313 28 H GLY 5 H GLY 5 4.407 -2.820 -5.991 29 HA2 GLY 5 HA3 GLY 5 5.954 -3.365 -7.966 30 HA3 GLY 5 HA2 GLY 5 7.082 -3.960 -6.764 31 H VAL 6 H VAL 6 3.943 -4.893 -5.816 32 HA VAL 6 HA VAL 6 3.828 -7.276 -7.528 33 HB VAL 6 HB VAL 6 3.717 -7.654 -4.515 34 HG11 VAL 6 HG11 VAL 6 3.696 -10.051 -5.092 35 HG12 VAL 6 HG12 VAL 6 2.315 -9.255 -5.845 36 HG13 VAL 6 HG13 VAL 6 3.733 -9.654 -6.825 37 HG21 VAL 6 HG21 VAL 6 5.908 -8.465 -6.473 38 HG22 VAL 6 HG22 VAL 6 6.063 -7.275 -5.167 39 HG23 VAL 6 HG23 VAL 6 5.795 -8.969 -4.767 40 H GLU 7 H GLU 7 1.803 -7.210 -4.654 41 HA GLU 7 HA GLU 7 -0.189 -5.495 -5.896 42 HB2 GLU 7 HB3 GLU 7 -1.998 -7.027 -6.111 43 HB3 GLU 7 HB2 GLU 7 -0.649 -7.529 -7.114 44 HG2 GLU 7 HG3 GLU 7 -0.060 -9.269 -5.417 45 HG3 GLU 7 HG2 GLU 7 -1.480 -8.790 -4.473 46 HA PRO 8 HA PRO 8 -2.018 -6.384 -1.763 47 HB2 PRO 8 HB3 PRO 8 -1.100 -8.030 0.127 48 HB3 PRO 8 HB2 PRO 8 -1.613 -8.650 -1.468 49 HG2 PRO 8 HG3 PRO 8 1.218 -7.984 -0.578 50 HG3 PRO 8 HG2 PRO 8 0.625 -9.516 -1.290 51 HD2 PRO 8 HD3 PRO 8 1.744 -7.535 -2.828 52 HD3 PRO 8 HD2 PRO 8 0.461 -8.603 -3.410 53 H ASP 9 H ASP 9 -1.241 -3.988 -1.662 54 HA ASP 9 HA ASP 9 -0.986 -3.884 1.284 55 HB2 ASP 9 HB2 ASP 9 1.098 -2.762 0.108 56 HB3 ASP 9 HB3 ASP 9 -0.009 -1.391 -0.017 57 H ILE 10 H ILE 10 -2.743 -2.959 -1.390 58 HA ILE 10 HA ILE 10 -4.779 -2.302 -1.758 59 HB ILE 10 HB ILE 10 -4.775 -4.500 -0.440 60 HG12 ILE 10 HG13 ILE 10 -7.203 -4.779 -0.497 61 HG13 ILE 10 HG12 ILE 10 -7.435 -3.054 -0.742 62 HG21 ILE 10 HG21 ILE 10 -6.047 -4.608 1.612 63 HG22 ILE 10 HG22 ILE 10 -4.713 -3.474 1.840 64 HG23 ILE 10 HG23 ILE 10 -6.355 -2.860 1.582 65 HD11 ILE 10 HD11 ILE 10 -6.338 -3.193 -2.942 66 HD12 ILE 10 HD12 ILE 10 -5.897 -4.893 -2.639 67 HD13 ILE 10 HD13 ILE 10 -7.599 -4.426 -2.830 68 H GLY 11 H GLY 11 -3.712 -0.579 1.008 69 HA2 GLY 11 HA3 GLY 11 -5.368 1.694 0.391 70 HA3 GLY 11 HA2 GLY 11 -6.131 0.769 1.681 71 H GLN 12 H GLN 12 -3.020 2.261 0.768 72 HA GLN 12 HA GLN 12 -2.509 3.440 3.394 73 HB2 GLN 12 HB3 GLN 12 -1.291 0.873 2.393 74 HB3 GLN 12 HB2 GLN 12 -0.188 2.035 3.073 75 HG2 GLN 12 HG3 GLN 12 -0.707 1.490 5.122 76 HG3 GLN 12 HG2 GLN 12 -2.391 1.895 4.903 77 HE21 GLN 12 HE21 GLN 12 -3.884 0.165 4.369 78 HE22 GLN 12 HE22 GLN 12 -3.349 -1.524 4.672 79 H THR 13 H THR 13 0.200 4.125 3.011 80 HA THR 13 HA THR 13 0.092 6.210 1.036 81 HB THR 13 HB THR 13 2.514 6.399 1.159 82 HG1 THR 13 HG1 THR 13 2.455 4.144 2.888 83 HG21 THR 13 HG21 THR 13 1.284 6.047 3.907 84 HG22 THR 13 HG22 THR 13 1.241 7.505 2.901 85 HG23 THR 13 HG23 THR 13 2.788 6.899 3.532 86 H TYR 14 H TYR 14 0.975 2.922 0.700 87 HA TYR 14 HA TYR 14 0.892 3.181 -2.254 88 HB2 TYR 14 HB3 TYR 14 2.757 1.328 -0.721 89 HB3 TYR 14 HB2 TYR 14 2.434 1.212 -2.435 90 HD1 TYR 14 HD1 TYR 14 4.085 3.189 0.202 91 HD2 TYR 14 HD2 TYR 14 3.368 2.817 -4.030 92 HE1 TYR 14 HE1 TYR 14 6.014 4.657 -0.229 93 HE2 TYR 14 HE2 TYR 14 5.308 4.344 -4.477 94 HH TYR 14 HH TYR 14 7.301 5.575 -1.794 95 H PHE 15 H PHE 15 0.219 1.053 -3.216 96 HA PHE 15 HA PHE 15 -1.868 -0.297 -1.525 97 HB2 PHE 15 HB3 PHE 15 -1.970 0.851 -4.330 98 HB3 PHE 15 HB2 PHE 15 -3.070 -0.409 -3.816 99 HD1 PHE 15 HD1 PHE 15 -1.900 3.000 -2.605 100 HD2 PHE 15 HD2 PHE 15 -5.151 0.187 -2.998 101 HE1 PHE 15 HE1 PHE 15 -3.435 4.637 -1.605 102 HE2 PHE 15 HE2 PHE 15 -6.702 1.852 -2.048 103 HZ PHE 15 HZ PHE 15 -5.854 4.094 -1.341 104 H GLU 16 H GLU 16 0.816 -0.738 -3.581 105 HA GLU 16 HA GLU 16 -0.170 -3.308 -4.601 106 HB2 GLU 16 HB3 GLU 16 0.625 -2.681 -6.673 107 HB3 GLU 16 HB2 GLU 16 -0.271 -1.327 -6.037 108 HG2 GLU 16 HG3 GLU 16 2.776 -1.450 -5.968 109 HG3 GLU 16 HG2 GLU 16 1.880 -0.910 -7.369 110 H GLU 17 H GLU 17 1.601 -3.501 -2.298 111 HA GLU 17 HA GLU 17 3.027 -5.747 -3.443 112 HB2 GLU 17 HB3 GLU 17 4.688 -4.119 -3.968 113 HB3 GLU 17 HB2 GLU 17 4.791 -3.543 -2.324 114 HG2 GLU 17 HG3 GLU 17 5.410 -6.441 -3.006 115 HG3 GLU 17 HG2 GLU 17 6.560 -5.193 -3.461 116 H SER 18 H SER 18 2.724 -3.758 -0.561 117 HA SER 18 HA SER 18 4.563 -5.375 0.696 118 HB2 SER 18 HB3 SER 18 4.272 -2.921 0.730 119 HB3 SER 18 HB2 SER 18 3.025 -3.130 1.953 120 HG SER 18 HG SER 18 5.098 -2.652 2.720 121 H ARG 19 H ARG 19 1.878 -4.504 2.865 122 HA ARG 19 HA ARG 19 1.702 -7.385 3.696 123 HB2 ARG 19 HB3 ARG 19 2.088 -5.394 5.893 124 HB3 ARG 19 HB2 ARG 19 2.463 -7.105 5.866 125 HG2 ARG 19 HG3 ARG 19 4.042 -4.878 4.557 126 HG3 ARG 19 HG2 ARG 19 4.421 -5.603 6.099 127 HD2 ARG 19 HD3 ARG 19 5.431 -7.425 5.201 128 HD3 ARG 19 HD2 ARG 19 4.353 -7.515 3.821 129 HE ARG 19 HE ARG 19 6.190 -5.192 3.946 130 HH11 ARG 19 HH11 ARG 19 5.064 -7.715 1.879 131 HH12 ARG 19 HH12 ARG 19 6.268 -7.306 0.703 132 HH21 ARG 19 HH21 ARG 19 7.081 -4.537 2.109 133 HH22 ARG 19 HH22 ARG 19 7.193 -5.613 0.781 134 H ILE 20 H ILE 20 -0.016 -4.815 2.924 135 HA ILE 20 HA ILE 20 -1.929 -3.799 3.254 136 HB ILE 20 HB ILE 20 -3.956 -4.921 3.695 137 HG12 ILE 20 HG13 ILE 20 -2.522 -7.505 4.379 138 HG13 ILE 20 HG12 ILE 20 -3.062 -6.374 5.624 139 HG21 ILE 20 HG21 ILE 20 -2.881 -5.206 1.491 140 HG22 ILE 20 HG22 ILE 20 -2.138 -6.718 2.043 141 HG23 ILE 20 HG23 ILE 20 -3.902 -6.580 1.903 142 HD11 ILE 20 HD11 ILE 20 -4.854 -7.776 3.602 143 HD12 ILE 20 HD12 ILE 20 -4.725 -8.105 5.337 144 HD13 ILE 20 HD13 ILE 20 -5.395 -6.558 4.783 145 H ASN 21 H ASN 21 -0.143 -4.382 5.827 146 HA ASN 21 HA ASN 21 -1.570 -2.372 7.477 147 HB2 ASN 21 HB3 ASN 21 -0.773 -5.167 8.360 148 HB3 ASN 21 HB2 ASN 21 -0.589 -3.839 9.490 149 HD21 ASN 21 HD21 ASN 21 -3.407 -3.697 7.311 150 HD22 ASN 21 HD22 ASN 21 -4.490 -4.101 8.655 151 H GLN 22 H GLN 22 -0.021 -1.082 6.310 152 HA GLN 22 HA GLN 22 2.555 -0.740 7.749 153 HB2 GLN 22 HB3 GLN 22 2.163 -0.509 4.746 154 HB3 GLN 22 HB2 GLN 22 3.663 -0.210 5.608 155 HG2 GLN 22 HG3 GLN 22 2.371 -2.962 5.471 156 HG3 GLN 22 HG2 GLN 22 3.525 -2.347 4.315 157 HE21 GLN 22 HE21 GLN 22 3.230 -2.879 7.892 158 HE22 GLN 22 HE22 GLN 22 4.984 -3.166 8.034 159 H ASP 23 H ASP 23 3.373 1.582 6.467 160 HA ASP 23 HA ASP 23 1.544 3.718 7.028 161 HB2 ASP 23 HB3 ASP 23 4.008 3.746 5.241 162 HB3 ASP 23 HB2 ASP 23 3.297 5.092 6.114 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.039 0.980 0.906 2 HA2 GLY 1 HA3 GLY 1 1.499 -0.776 -0.871 3 HA3 GLY 1 HA2 GLY 1 0.898 0.647 -1.673 4 H LEU 2 H LEU 2 3.109 -0.553 0.813 5 HA LEU 2 HA LEU 2 4.244 1.951 1.543 6 HB2 LEU 2 HB3 LEU 2 4.547 -0.202 2.756 7 HB3 LEU 2 HB2 LEU 2 5.556 -0.798 1.453 8 HG LEU 2 HG LEU 2 7.197 1.047 1.898 9 HD11 LEU 2 HD11 LEU 2 5.761 2.744 2.937 10 HD12 LEU 2 HD12 LEU 2 7.019 2.256 4.079 11 HD13 LEU 2 HD13 LEU 2 5.372 1.624 4.272 12 HD21 LEU 2 HD21 LEU 2 6.476 -0.640 4.319 13 HD22 LEU 2 HD22 LEU 2 8.061 0.092 3.991 14 HD23 LEU 2 HD23 LEU 2 7.441 -1.181 2.915 15 H SER 3 H SER 3 5.932 -0.392 -0.552 16 HA SER 3 HA SER 3 6.181 1.168 -2.871 17 HB2 SER 3 HB3 SER 3 8.552 1.818 -2.854 18 HB3 SER 3 HB2 SER 3 7.614 2.735 -1.680 19 HG SER 3 HG SER 3 8.964 0.360 -0.998 20 H GLN 4 H GLN 4 6.190 -0.609 -4.225 21 HA GLN 4 HA GLN 4 8.524 -2.191 -4.418 22 HB2 GLN 4 HB3 GLN 4 7.601 -3.473 -2.507 23 HB3 GLN 4 HB2 GLN 4 6.176 -3.886 -3.468 24 HG2 GLN 4 HG3 GLN 4 7.621 -5.089 -5.088 25 HG3 GLN 4 HG2 GLN 4 9.064 -4.553 -4.215 26 HE21 GLN 4 HE21 GLN 4 6.084 -6.587 -3.907 27 HE22 GLN 4 HE22 GLN 4 6.831 -7.582 -2.641 28 H GLY 5 H GLY 5 5.105 -3.129 -5.212 29 HA2 GLY 5 HA3 GLY 5 5.542 -2.739 -8.072 30 HA3 GLY 5 HA2 GLY 5 5.776 -4.411 -7.565 31 H VAL 6 H VAL 6 3.876 -5.473 -6.438 32 HA VAL 6 HA VAL 6 1.244 -4.441 -7.438 33 HB VAL 6 HB VAL 6 0.737 -6.567 -8.545 34 HG11 VAL 6 HG11 VAL 6 1.665 -4.675 -9.853 35 HG12 VAL 6 HG12 VAL 6 3.283 -5.388 -9.694 36 HG13 VAL 6 HG13 VAL 6 2.005 -6.270 -10.556 37 HG21 VAL 6 HG21 VAL 6 3.659 -7.313 -8.081 38 HG22 VAL 6 HG22 VAL 6 2.259 -8.092 -7.337 39 HG23 VAL 6 HG23 VAL 6 2.493 -8.201 -9.087 40 H GLU 7 H GLU 7 2.821 -5.605 -4.864 41 HA GLU 7 HA GLU 7 1.061 -7.655 -3.916 42 HB2 GLU 7 HB3 GLU 7 3.318 -6.006 -2.745 43 HB3 GLU 7 HB2 GLU 7 2.419 -7.143 -1.746 44 HG2 GLU 7 HG3 GLU 7 4.416 -8.212 -2.585 45 HG3 GLU 7 HG2 GLU 7 2.993 -8.980 -3.273 46 HA PRO 8 HA PRO 8 -2.331 -6.008 -3.104 47 HB2 PRO 8 HB3 PRO 8 -3.613 -7.481 -1.200 48 HB3 PRO 8 HB2 PRO 8 -2.789 -8.212 -2.602 49 HG2 PRO 8 HG3 PRO 8 -1.617 -7.775 0.175 50 HG3 PRO 8 HG2 PRO 8 -1.738 -9.322 -0.732 51 HD2 PRO 8 HD3 PRO 8 0.511 -7.839 -0.829 52 HD3 PRO 8 HD2 PRO 8 -0.112 -8.629 -2.311 53 H ASP 9 H ASP 9 -1.145 -3.896 -2.182 54 HA ASP 9 HA ASP 9 -2.285 -2.858 0.302 55 HB2 ASP 9 HB2 ASP 9 -0.111 -2.199 -0.796 56 HB3 ASP 9 HB3 ASP 9 -1.038 -1.282 -1.968 57 H ILE 10 H ILE 10 -4.396 -2.718 0.391 58 HA ILE 10 HA ILE 10 -6.226 -2.175 -1.696 59 HB ILE 10 HB ILE 10 -6.680 -3.319 0.399 60 HG12 ILE 10 HG13 ILE 10 -8.490 -2.076 -1.080 61 HG13 ILE 10 HG12 ILE 10 -8.862 -3.053 0.324 62 HG21 ILE 10 HG21 ILE 10 -7.182 -2.138 2.493 63 HG22 ILE 10 HG22 ILE 10 -5.497 -1.959 2.012 64 HG23 ILE 10 HG23 ILE 10 -6.627 -0.611 1.768 65 HD11 ILE 10 HD11 ILE 10 -8.687 -0.015 0.439 66 HD12 ILE 10 HD12 ILE 10 -10.173 -0.954 0.220 67 HD13 ILE 10 HD13 ILE 10 -9.242 -1.115 1.716 68 H GLY 11 H GLY 11 -4.077 0.084 -0.492 69 HA2 GLY 11 HA3 GLY 11 -4.138 2.301 -1.588 70 HA3 GLY 11 HA2 GLY 11 -5.847 2.421 -1.182 71 H GLN 12 H GLN 12 -3.418 1.180 1.054 72 HA GLN 12 HA GLN 12 -4.271 3.042 3.163 73 HB2 GLN 12 HB3 GLN 12 -2.024 1.005 3.037 74 HB3 GLN 12 HB2 GLN 12 -2.615 1.781 4.505 75 HG2 GLN 12 HG3 GLN 12 -4.530 0.496 4.635 76 HG3 GLN 12 HG2 GLN 12 -4.608 0.195 2.901 77 HE21 GLN 12 HE21 GLN 12 -2.597 -1.060 2.015 78 HE22 GLN 12 HE22 GLN 12 -2.059 -2.391 3.023 79 H THR 13 H THR 13 -1.679 2.811 0.894 80 HA THR 13 HA THR 13 -0.559 5.443 1.673 81 HB THR 13 HB THR 13 1.166 2.985 1.234 82 HG1 THR 13 HG1 THR 13 1.932 3.496 3.296 83 HG21 THR 13 HG21 THR 13 3.084 4.456 1.736 84 HG22 THR 13 HG22 THR 13 1.988 5.855 1.867 85 HG23 THR 13 HG23 THR 13 2.236 5.038 0.306 86 H TYR 14 H TYR 14 0.671 3.026 -0.648 87 HA TYR 14 HA TYR 14 -0.783 4.329 -2.895 88 HB2 TYR 14 HB3 TYR 14 1.763 2.734 -3.175 89 HB3 TYR 14 HB2 TYR 14 1.031 3.822 -4.342 90 HD1 TYR 14 HD2 TYR 14 0.641 6.345 -2.868 91 HD2 TYR 14 HD1 TYR 14 3.857 3.479 -2.613 92 HE1 TYR 14 HE2 TYR 14 2.167 8.114 -1.978 93 HE2 TYR 14 HE1 TYR 14 5.346 5.203 -1.706 94 HH TYR 14 HH TYR 14 5.497 7.317 -1.014 95 H PHE 15 H PHE 15 0.120 1.865 -4.526 96 HA PHE 15 HA PHE 15 -1.995 -0.032 -3.552 97 HB2 PHE 15 HB3 PHE 15 -1.643 1.125 -6.327 98 HB3 PHE 15 HB2 PHE 15 -2.767 -0.159 -5.901 99 HD1 PHE 15 HD1 PHE 15 -4.612 0.241 -4.241 100 HD2 PHE 15 HD2 PHE 15 -2.236 3.444 -5.872 101 HE1 PHE 15 HE1 PHE 15 -6.359 1.867 -3.579 102 HE2 PHE 15 HE2 PHE 15 -3.968 5.084 -5.168 103 HZ PHE 15 HZ PHE 15 -6.035 4.297 -4.025 104 H GLU 16 H GLU 16 0.974 -0.268 -3.491 105 HA GLU 16 HA GLU 16 1.506 -2.486 -5.428 106 HB2 GLU 16 HB3 GLU 16 3.619 -1.333 -5.816 107 HB3 GLU 16 HB2 GLU 16 2.269 -0.226 -6.047 108 HG2 GLU 16 HG3 GLU 16 2.653 0.667 -3.714 109 HG3 GLU 16 HG2 GLU 16 4.044 -0.400 -3.560 110 H GLU 17 H GLU 17 1.501 -2.142 -2.136 111 HA GLU 17 HA GLU 17 3.268 -4.331 -1.583 112 HB2 GLU 17 HB3 GLU 17 4.870 -2.308 -1.977 113 HB3 GLU 17 HB2 GLU 17 4.384 -1.798 -0.380 114 HG2 GLU 17 HG3 GLU 17 5.622 -4.486 -1.116 115 HG3 GLU 17 HG2 GLU 17 6.483 -3.110 -0.429 116 H SER 18 H SER 18 1.855 -5.287 -0.239 117 HA SER 18 HA SER 18 1.842 -4.242 2.431 118 HB2 SER 18 HB3 SER 18 -0.881 -4.667 1.162 119 HB3 SER 18 HB2 SER 18 -0.600 -4.625 2.915 120 HG SER 18 HG SER 18 0.668 -2.605 1.643 121 H ARG 19 H ARG 19 3.307 -6.026 2.138 122 HA ARG 19 HA ARG 19 2.733 -8.712 1.968 123 HB2 ARG 19 HB3 ARG 19 4.749 -9.149 3.165 124 HB3 ARG 19 HB2 ARG 19 4.990 -7.742 2.146 125 HG2 ARG 19 HG3 ARG 19 4.442 -7.588 5.147 126 HG3 ARG 19 HG2 ARG 19 6.043 -7.686 4.444 127 HD2 ARG 19 HD3 ARG 19 5.763 -5.590 3.279 128 HD3 ARG 19 HD2 ARG 19 4.110 -5.396 3.882 129 HE ARG 19 HE ARG 19 5.106 -5.319 6.219 130 HH11 ARG 19 HH11 ARG 19 6.410 -3.581 3.518 131 HH12 ARG 19 HH12 ARG 19 7.283 -2.574 4.651 132 HH21 ARG 19 HH21 ARG 19 6.144 -4.090 7.342 133 HH22 ARG 19 HH22 ARG 19 7.141 -2.835 6.733 134 H ILE 20 H ILE 20 1.986 -6.822 4.752 135 HA ILE 20 HA ILE 20 0.241 -8.973 5.803 136 HB ILE 20 HB ILE 20 0.962 -8.709 8.135 137 HG12 ILE 20 HG13 ILE 20 3.362 -7.147 7.075 138 HG13 ILE 20 HG12 ILE 20 2.033 -6.479 8.009 139 HG21 ILE 20 HG21 ILE 20 3.298 -9.647 6.437 140 HG22 ILE 20 HG22 ILE 20 2.825 -10.210 8.053 141 HG23 ILE 20 HG23 ILE 20 1.795 -10.565 6.663 142 HD11 ILE 20 HD11 ILE 20 2.623 -7.973 9.915 143 HD12 ILE 20 HD12 ILE 20 4.066 -8.494 9.004 144 HD13 ILE 20 HD13 ILE 20 3.880 -6.799 9.477 145 H ASN 21 H ASN 21 1.122 -5.641 5.651 146 HA ASN 21 HA ASN 21 -1.410 -4.439 6.249 147 HB2 ASN 21 HB3 ASN 21 -0.703 -4.942 8.544 148 HB3 ASN 21 HB2 ASN 21 0.945 -4.422 8.208 149 HD21 ASN 21 HD21 ASN 21 1.413 -2.519 9.189 150 HD22 ASN 21 HD22 ASN 21 0.224 -1.205 9.356 151 H GLN 22 H GLN 22 -0.730 -1.857 6.247 152 HA GLN 22 HA GLN 22 0.946 -1.328 3.963 153 HB2 GLN 22 HB3 GLN 22 0.574 0.937 4.323 154 HB3 GLN 22 HB2 GLN 22 -0.897 0.121 4.847 155 HG2 GLN 22 HG3 GLN 22 -0.118 0.335 7.229 156 HG3 GLN 22 HG2 GLN 22 1.253 1.297 6.655 157 HE21 GLN 22 HE21 GLN 22 0.127 3.118 4.761 158 HE22 GLN 22 HE22 GLN 22 -1.196 3.921 5.555 159 H ASP 23 H ASP 23 1.856 -1.991 7.204 160 HA ASP 23 HA ASP 23 4.542 -2.288 6.297 161 HB2 ASP 23 HB3 ASP 23 4.531 0.066 7.294 162 HB3 ASP 23 HB2 ASP 23 4.198 -0.673 8.854 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.811 1.007 0.823 2 HA2 GLY 1 HA3 GLY 1 1.322 0.072 -1.991 3 HA3 GLY 1 HA2 GLY 1 1.354 1.759 -1.599 4 H LEU 2 H LEU 2 2.645 1.624 0.921 5 HA LEU 2 HA LEU 2 4.677 2.094 1.668 6 HB2 LEU 2 HB3 LEU 2 3.846 -0.365 2.203 7 HB3 LEU 2 HB2 LEU 2 5.353 -0.819 1.438 8 HG LEU 2 HG LEU 2 5.047 1.087 3.801 9 HD11 LEU 2 HD11 LEU 2 4.500 -1.265 4.328 10 HD12 LEU 2 HD12 LEU 2 5.991 -0.755 5.120 11 HD13 LEU 2 HD13 LEU 2 6.068 -1.788 3.669 12 HD21 LEU 2 HD21 LEU 2 7.567 -0.098 2.544 13 HD22 LEU 2 HD22 LEU 2 7.497 0.820 4.062 14 HD23 LEU 2 HD23 LEU 2 7.096 1.624 2.547 15 H SER 3 H SER 3 5.914 -0.435 -0.545 16 HA SER 3 HA SER 3 7.581 1.500 -1.958 17 HB2 SER 3 HB3 SER 3 9.727 0.309 -1.480 18 HB3 SER 3 HB2 SER 3 9.056 1.224 -0.120 19 HG SER 3 HG SER 3 8.137 -0.787 0.603 20 H GLN 4 H GLN 4 7.995 -2.043 -1.528 21 HA GLN 4 HA GLN 4 6.377 -2.656 -3.794 22 HB2 GLN 4 HB3 GLN 4 8.008 -3.645 -5.260 23 HB3 GLN 4 HB2 GLN 4 8.394 -1.950 -5.042 24 HG2 GLN 4 HG3 GLN 4 10.212 -2.540 -3.472 25 HG3 GLN 4 HG2 GLN 4 9.800 -4.254 -3.606 26 HE21 GLN 4 HE21 GLN 4 9.347 -4.382 -6.481 27 HE22 GLN 4 HE22 GLN 4 10.958 -4.098 -7.175 28 H GLY 5 H GLY 5 6.388 -5.012 -4.269 29 HA2 GLY 5 HA3 GLY 5 7.755 -6.993 -2.698 30 HA3 GLY 5 HA2 GLY 5 6.157 -6.723 -2.009 31 H VAL 6 H VAL 6 5.317 -6.150 -4.983 32 HA VAL 6 HA VAL 6 3.955 -7.114 -6.401 33 HB VAL 6 HB VAL 6 5.159 -9.875 -6.066 34 HG11 VAL 6 HG11 VAL 6 4.395 -10.125 -8.402 35 HG12 VAL 6 HG12 VAL 6 3.035 -9.684 -7.370 36 HG13 VAL 6 HG13 VAL 6 3.786 -8.452 -8.400 37 HG21 VAL 6 HG21 VAL 6 6.116 -7.614 -7.877 38 HG22 VAL 6 HG22 VAL 6 7.051 -8.427 -6.605 39 HG23 VAL 6 HG23 VAL 6 6.584 -9.327 -8.048 40 H GLU 7 H GLU 7 3.139 -6.467 -4.045 41 HA GLU 7 HA GLU 7 1.327 -8.611 -3.024 42 HB2 GLU 7 HB3 GLU 7 3.474 -7.095 -1.504 43 HB3 GLU 7 HB2 GLU 7 2.121 -7.865 -0.672 44 HG2 GLU 7 HG3 GLU 7 2.714 -10.038 -1.737 45 HG3 GLU 7 HG2 GLU 7 4.152 -9.285 -2.431 46 HA PRO 8 HA PRO 8 -1.613 -5.471 -2.845 47 HB2 PRO 8 HB3 PRO 8 -3.450 -6.233 -1.014 48 HB3 PRO 8 HB2 PRO 8 -3.012 -7.257 -2.415 49 HG2 PRO 8 HG3 PRO 8 -1.958 -7.457 0.430 50 HG3 PRO 8 HG2 PRO 8 -2.602 -8.767 -0.606 51 HD2 PRO 8 HD3 PRO 8 0.068 -8.229 -0.355 52 HD3 PRO 8 HD2 PRO 8 -0.636 -8.862 -1.874 53 H ASP 9 H ASP 9 -1.127 -3.400 -2.371 54 HA ASP 9 HA ASP 9 -1.385 -2.423 0.413 55 HB2 ASP 9 HB2 ASP 9 -0.331 -1.199 -1.894 56 HB3 ASP 9 HB3 ASP 9 -1.856 -0.411 -1.684 57 H ILE 10 H ILE 10 -3.066 -0.756 0.771 58 HA ILE 10 HA ILE 10 -5.488 -0.846 -0.872 59 HB ILE 10 HB ILE 10 -6.063 -0.985 2.079 60 HG12 ILE 10 HG13 ILE 10 -5.887 -3.482 0.326 61 HG13 ILE 10 HG12 ILE 10 -4.773 -3.086 1.632 62 HG21 ILE 10 HG21 ILE 10 -7.833 -0.302 0.404 63 HG22 ILE 10 HG22 ILE 10 -7.649 -1.879 -0.378 64 HG23 ILE 10 HG23 ILE 10 -8.263 -1.747 1.288 65 HD11 ILE 10 HD11 ILE 10 -6.262 -4.677 2.514 66 HD12 ILE 10 HD12 ILE 10 -6.725 -3.122 3.236 67 HD13 ILE 10 HD13 ILE 10 -7.692 -3.827 1.916 68 H GLY 11 H GLY 11 -3.148 0.942 0.658 69 HA2 GLY 11 HA3 GLY 11 -3.718 3.416 -0.010 70 HA3 GLY 11 HA2 GLY 11 -4.875 3.290 1.308 71 H GLN 12 H GLN 12 -1.968 1.569 1.984 72 HA GLN 12 HA GLN 12 -1.270 3.183 4.262 73 HB2 GLN 12 HB3 GLN 12 -0.884 0.779 4.005 74 HB3 GLN 12 HB2 GLN 12 0.231 1.073 2.672 75 HG2 GLN 12 HG3 GLN 12 1.826 2.152 4.246 76 HG3 GLN 12 HG2 GLN 12 0.706 1.820 5.580 77 HE21 GLN 12 HE21 GLN 12 2.014 0.255 6.757 78 HE22 GLN 12 HE22 GLN 12 2.419 -1.266 6.005 79 H THR 13 H THR 13 -0.419 3.467 0.933 80 HA THR 13 HA THR 13 0.929 5.982 1.340 81 HB THR 13 HB THR 13 2.812 4.101 -0.090 82 HG1 THR 13 HG1 THR 13 2.458 4.273 2.683 83 HG21 THR 13 HG21 THR 13 4.489 5.657 0.740 84 HG22 THR 13 HG22 THR 13 3.280 6.492 1.743 85 HG23 THR 13 HG23 THR 13 3.182 6.578 -0.031 86 H TYR 14 H TYR 14 0.484 3.263 -0.777 87 HA TYR 14 HA TYR 14 -0.667 4.850 -2.953 88 HB2 TYR 14 HB3 TYR 14 0.887 2.507 -3.872 89 HB3 TYR 14 HB2 TYR 14 0.676 4.076 -4.623 90 HD1 TYR 14 HD2 TYR 14 2.034 6.047 -3.155 91 HD2 TYR 14 HD1 TYR 14 3.054 1.870 -3.504 92 HE1 TYR 14 HE2 TYR 14 4.344 6.518 -2.301 93 HE2 TYR 14 HE1 TYR 14 5.312 2.337 -2.633 94 HH TYR 14 HH TYR 14 6.378 3.950 -1.201 95 H PHE 15 H PHE 15 -1.381 2.534 -4.525 96 HA PHE 15 HA PHE 15 -3.273 1.178 -2.623 97 HB2 PHE 15 HB3 PHE 15 -3.836 2.331 -5.368 98 HB3 PHE 15 HB2 PHE 15 -4.981 1.442 -4.368 99 HD1 PHE 15 HD1 PHE 15 -5.736 2.377 -2.156 100 HD2 PHE 15 HD2 PHE 15 -3.365 4.671 -4.922 101 HE1 PHE 15 HE1 PHE 15 -6.306 4.438 -0.916 102 HE2 PHE 15 HE2 PHE 15 -3.931 6.751 -3.679 103 HZ PHE 15 HZ PHE 15 -5.399 6.639 -1.668 104 H GLU 16 H GLU 16 -0.861 0.572 -4.871 105 HA GLU 16 HA GLU 16 -1.969 -2.108 -5.576 106 HB2 GLU 16 HB3 GLU 16 -1.062 -1.733 -7.805 107 HB3 GLU 16 HB2 GLU 16 -2.259 -0.543 -7.357 108 HG2 GLU 16 HG3 GLU 16 0.715 0.047 -7.093 109 HG3 GLU 16 HG2 GLU 16 -0.136 0.220 -8.625 110 H GLU 17 H GLU 17 0.443 -1.278 -3.602 111 HA GLU 17 HA GLU 17 1.945 -3.692 -4.343 112 HB2 GLU 17 HB3 GLU 17 3.013 -0.992 -4.798 113 HB3 GLU 17 HB2 GLU 17 4.056 -1.913 -3.739 114 HG2 GLU 17 HG3 GLU 17 3.102 -2.930 -6.452 115 HG3 GLU 17 HG2 GLU 17 4.610 -2.069 -6.171 116 H SER 18 H SER 18 3.386 -4.480 -2.841 117 HA SER 18 HA SER 18 4.691 -4.731 -1.024 118 HB2 SER 18 HB3 SER 18 3.414 -2.294 0.266 119 HB3 SER 18 HB2 SER 18 4.870 -3.134 0.794 120 HG SER 18 HG SER 18 4.463 -1.577 -1.483 121 H ARG 19 H ARG 19 4.770 -5.096 1.202 122 HA ARG 19 HA ARG 19 3.907 -7.337 2.002 123 HB2 ARG 19 HB3 ARG 19 5.608 -6.197 3.143 124 HB3 ARG 19 HB2 ARG 19 4.546 -4.912 3.673 125 HG2 ARG 19 HG3 ARG 19 5.397 -6.316 5.480 126 HG3 ARG 19 HG2 ARG 19 3.663 -6.173 5.455 127 HD2 ARG 19 HD3 ARG 19 4.615 -8.415 6.093 128 HD3 ARG 19 HD2 ARG 19 3.336 -8.429 4.908 129 HE ARG 19 HE ARG 19 6.256 -8.746 4.262 130 HH11 ARG 19 HH11 ARG 19 2.932 -9.317 3.199 131 HH12 ARG 19 HH12 ARG 19 3.556 -10.350 1.939 132 HH21 ARG 19 HH21 ARG 19 6.699 -9.760 2.318 133 HH22 ARG 19 HH22 ARG 19 5.374 -10.466 1.501 134 H ILE 20 H ILE 20 1.671 -4.676 2.906 135 HA ILE 20 HA ILE 20 -0.305 -6.658 3.808 136 HB ILE 20 HB ILE 20 1.373 -6.813 5.568 137 HG12 ILE 20 HG13 ILE 20 -1.147 -5.547 6.681 138 HG13 ILE 20 HG12 ILE 20 -1.035 -7.186 6.038 139 HG21 ILE 20 HG21 ILE 20 0.811 -3.959 6.433 140 HG22 ILE 20 HG22 ILE 20 2.015 -5.067 7.049 141 HG23 ILE 20 HG23 ILE 20 2.201 -4.385 5.433 142 HD11 ILE 20 HD11 ILE 20 0.707 -7.714 7.760 143 HD12 ILE 20 HD12 ILE 20 0.464 -6.090 8.454 144 HD13 ILE 20 HD13 ILE 20 -0.864 -7.257 8.451 145 H ASN 21 H ASN 21 0.523 -3.239 3.706 146 HA ASN 21 HA ASN 21 -0.550 -1.347 3.966 147 HB2 ASN 21 HB3 ASN 21 -2.393 -1.018 2.828 148 HB3 ASN 21 HB2 ASN 21 -2.473 -2.749 2.526 149 HD21 ASN 21 HD21 ASN 21 -3.526 -3.956 4.517 150 HD22 ASN 21 HD22 ASN 21 -4.992 -3.151 5.137 151 H GLN 22 H GLN 22 -1.985 -0.103 5.496 152 HA GLN 22 HA GLN 22 -2.399 0.636 7.521 153 HB2 GLN 22 HB3 GLN 22 -3.948 -0.382 8.718 154 HB3 GLN 22 HB2 GLN 22 -3.988 -1.459 7.346 155 HG2 GLN 22 HG3 GLN 22 -4.005 -2.971 9.066 156 HG3 GLN 22 HG2 GLN 22 -2.273 -2.919 8.791 157 HE21 GLN 22 HE21 GLN 22 -1.009 -2.598 10.700 158 HE22 GLN 22 HE22 GLN 22 -1.691 -1.755 12.080 159 H ASP 23 H ASP 23 -0.256 -2.075 7.733 160 HA ASP 23 HA ASP 23 2.111 -1.601 8.239 161 HB2 ASP 23 HB3 ASP 23 1.013 -0.406 10.798 162 HB3 ASP 23 HB2 ASP 23 2.640 -1.009 10.617 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.179 0.648 1.936 2 HA2 GLY 1 HA3 GLY 1 1.851 -0.723 0.255 3 HA3 GLY 1 HA2 GLY 1 1.127 0.505 -0.796 4 H LEU 2 H LEU 2 3.773 0.508 -0.413 5 HA LEU 2 HA LEU 2 4.476 2.837 1.294 6 HB2 LEU 2 HB3 LEU 2 4.637 0.863 2.754 7 HB3 LEU 2 HB2 LEU 2 5.674 0.048 1.599 8 HG LEU 2 HG LEU 2 7.453 1.731 1.980 9 HD11 LEU 2 HD11 LEU 2 6.119 3.708 2.595 10 HD12 LEU 2 HD12 LEU 2 7.264 3.313 3.881 11 HD13 LEU 2 HD13 LEU 2 5.552 2.884 4.068 12 HD21 LEU 2 HD21 LEU 2 8.035 1.041 4.258 13 HD22 LEU 2 HD22 LEU 2 7.335 -0.320 3.360 14 HD23 LEU 2 HD23 LEU 2 6.354 0.541 4.558 15 H SER 3 H SER 3 5.757 0.346 -0.796 16 HA SER 3 HA SER 3 6.782 1.108 -2.964 17 HB2 SER 3 HB3 SER 3 9.113 2.062 -2.804 18 HB3 SER 3 HB2 SER 3 7.774 3.144 -2.449 19 HG SER 3 HG SER 3 8.139 2.935 -0.313 20 H GLN 4 H GLN 4 6.579 -1.227 -1.102 21 HA GLN 4 HA GLN 4 9.085 -2.494 -0.716 22 HB2 GLN 4 HB3 GLN 4 6.605 -2.785 0.265 23 HB3 GLN 4 HB2 GLN 4 6.511 -4.064 -0.930 24 HG2 GLN 4 HG3 GLN 4 8.573 -3.784 1.307 25 HG3 GLN 4 HG2 GLN 4 7.169 -4.843 1.328 26 HE21 GLN 4 HE21 GLN 4 7.133 -6.438 -0.822 27 HE22 GLN 4 HE22 GLN 4 8.754 -7.125 -1.044 28 H GLY 5 H GLY 5 6.730 -2.956 -3.405 29 HA2 GLY 5 HA3 GLY 5 8.617 -3.915 -5.279 30 HA3 GLY 5 HA2 GLY 5 7.988 -5.332 -4.440 31 H VAL 6 H VAL 6 6.076 -6.186 -5.134 32 HA VAL 6 HA VAL 6 4.047 -4.655 -6.563 33 HB VAL 6 HB VAL 6 5.252 -7.080 -7.965 34 HG11 VAL 6 HG11 VAL 6 3.649 -6.472 -9.772 35 HG12 VAL 6 HG12 VAL 6 2.804 -6.887 -8.278 36 HG13 VAL 6 HG13 VAL 6 2.986 -5.183 -8.738 37 HG21 VAL 6 HG21 VAL 6 6.722 -5.172 -8.352 38 HG22 VAL 6 HG22 VAL 6 5.793 -5.516 -9.813 39 HG23 VAL 6 HG23 VAL 6 5.332 -4.149 -8.770 40 H GLU 7 H GLU 7 2.523 -5.128 -5.042 41 HA GLU 7 HA GLU 7 1.713 -7.856 -4.339 42 HB2 GLU 7 HB3 GLU 7 2.984 -6.015 -2.286 43 HB3 GLU 7 HB2 GLU 7 2.196 -7.545 -1.923 44 HG2 GLU 7 HG3 GLU 7 3.982 -8.753 -3.088 45 HG3 GLU 7 HG2 GLU 7 4.804 -7.210 -3.415 46 HA PRO 8 HA PRO 8 -1.857 -5.201 -3.323 47 HB2 PRO 8 HB3 PRO 8 -3.510 -6.730 -1.869 48 HB3 PRO 8 HB2 PRO 8 -2.952 -7.250 -3.488 49 HG2 PRO 8 HG3 PRO 8 -1.895 -8.132 -0.782 50 HG3 PRO 8 HG2 PRO 8 -2.284 -9.136 -2.207 51 HD2 PRO 8 HD3 PRO 8 0.245 -8.164 -1.540 52 HD3 PRO 8 HD2 PRO 8 -0.234 -8.676 -3.188 53 H ASP 9 H ASP 9 -1.241 -3.337 -2.170 54 HA ASP 9 HA ASP 9 -1.181 -3.271 0.767 55 HB2 ASP 9 HB2 ASP 9 -0.394 -1.403 -1.036 56 HB3 ASP 9 HB3 ASP 9 -2.055 -0.923 -0.857 57 H ILE 10 H ILE 10 -2.910 -2.787 2.138 58 HA ILE 10 HA ILE 10 -5.612 -2.340 1.001 59 HB ILE 10 HB ILE 10 -5.462 -4.251 3.306 60 HG12 ILE 10 HG13 ILE 10 -5.129 -5.234 0.432 61 HG13 ILE 10 HG12 ILE 10 -3.864 -5.268 1.653 62 HG21 ILE 10 HG21 ILE 10 -7.568 -5.045 2.350 63 HG22 ILE 10 HG22 ILE 10 -7.622 -3.290 2.400 64 HG23 ILE 10 HG23 ILE 10 -7.288 -4.104 0.863 65 HD11 ILE 10 HD11 ILE 10 -6.419 -6.884 1.722 66 HD12 ILE 10 HD12 ILE 10 -4.753 -7.450 1.537 67 HD13 ILE 10 HD13 ILE 10 -5.272 -6.751 3.082 68 H GLY 11 H GLY 11 -3.358 -0.936 2.731 69 HA2 GLY 11 HA3 GLY 11 -5.178 0.186 4.826 70 HA3 GLY 11 HA2 GLY 11 -3.776 -0.728 5.334 71 H GLN 12 H GLN 12 -2.464 0.972 2.757 72 HA GLN 12 HA GLN 12 -2.569 3.577 4.152 73 HB2 GLN 12 HB3 GLN 12 -0.680 2.239 5.196 74 HB3 GLN 12 HB2 GLN 12 0.203 2.467 3.687 75 HG2 GLN 12 HG3 GLN 12 -0.127 4.982 3.974 76 HG3 GLN 12 HG2 GLN 12 -0.951 4.653 5.497 77 HE21 GLN 12 HE21 GLN 12 2.212 4.739 3.873 78 HE22 GLN 12 HE22 GLN 12 3.094 4.513 5.404 79 H THR 13 H THR 13 0.058 3.101 1.848 80 HA THR 13 HA THR 13 -0.706 5.806 1.258 81 HB THR 13 HB THR 13 1.719 4.540 -0.015 82 HG1 THR 13 HG1 THR 13 2.015 3.729 1.890 83 HG21 THR 13 HG21 THR 13 1.256 6.993 -0.274 84 HG22 THR 13 HG22 THR 13 2.753 6.664 0.618 85 HG23 THR 13 HG23 THR 13 1.287 7.159 1.496 86 H TYR 14 H TYR 14 -0.435 2.971 -0.745 87 HA TYR 14 HA TYR 14 -2.026 3.937 -2.904 88 HB2 TYR 14 HB3 TYR 14 0.128 2.957 -4.396 89 HB3 TYR 14 HB2 TYR 14 -0.432 4.606 -4.315 90 HD1 TYR 14 HD1 TYR 14 2.101 2.203 -3.087 91 HD2 TYR 14 HD2 TYR 14 0.851 6.323 -3.173 92 HE1 TYR 14 HE1 TYR 14 4.293 2.870 -2.206 93 HE2 TYR 14 HE2 TYR 14 3.094 7.010 -2.272 94 HH TYR 14 HH TYR 14 5.500 4.624 -1.233 95 H PHE 15 H PHE 15 -1.756 1.735 -4.638 96 HA PHE 15 HA PHE 15 -2.771 -0.339 -2.736 97 HB2 PHE 15 HB3 PHE 15 -3.275 -0.090 -5.702 98 HB3 PHE 15 HB2 PHE 15 -4.134 -1.087 -4.538 99 HD1 PHE 15 HD1 PHE 15 -5.346 0.178 -2.577 100 HD2 PHE 15 HD2 PHE 15 -4.065 2.057 -6.232 101 HE1 PHE 15 HE1 PHE 15 -6.923 2.053 -2.156 102 HE2 PHE 15 HE2 PHE 15 -5.643 3.935 -5.824 103 HZ PHE 15 HZ PHE 15 -7.077 3.939 -3.781 104 H GLU 16 H GLU 16 -0.281 0.217 -4.993 105 HA GLU 16 HA GLU 16 -0.217 -2.355 -6.168 106 HB2 GLU 16 HB3 GLU 16 1.554 0.118 -6.404 107 HB3 GLU 16 HB2 GLU 16 1.720 -1.301 -7.424 108 HG2 GLU 16 HG3 GLU 16 0.485 0.231 -8.689 109 HG3 GLU 16 HG2 GLU 16 -0.615 -1.053 -8.216 110 H GLU 17 H GLU 17 1.246 -1.730 -3.218 111 HA GLU 17 HA GLU 17 2.601 -4.197 -3.343 112 HB2 GLU 17 HB3 GLU 17 4.947 -3.361 -2.776 113 HB3 GLU 17 HB2 GLU 17 4.412 -3.303 -4.433 114 HG2 GLU 17 HG3 GLU 17 5.663 -1.284 -3.746 115 HG3 GLU 17 HG2 GLU 17 4.062 -0.928 -4.384 116 H SER 18 H SER 18 4.213 -4.386 -1.253 117 HA SER 18 HA SER 18 3.953 -5.229 0.749 118 HB2 SER 18 HB3 SER 18 2.851 -2.521 1.319 119 HB3 SER 18 HB2 SER 18 2.664 -3.795 2.535 120 HG SER 18 HG SER 18 4.622 -2.607 2.712 121 H ARG 19 H ARG 19 1.936 -5.715 2.608 122 HA ARG 19 HA ARG 19 0.247 -7.350 0.723 123 HB2 ARG 19 HB3 ARG 19 0.967 -9.355 1.687 124 HB3 ARG 19 HB2 ARG 19 2.407 -8.420 1.349 125 HG2 ARG 19 HG3 ARG 19 1.712 -7.772 4.052 126 HG3 ARG 19 HG2 ARG 19 1.367 -9.480 3.877 127 HD2 ARG 19 HD3 ARG 19 3.550 -9.598 4.539 128 HD3 ARG 19 HD2 ARG 19 3.811 -9.561 2.793 129 HE ARG 19 HE ARG 19 4.270 -7.346 4.776 130 HH11 ARG 19 HH11 ARG 19 4.567 -8.155 1.277 131 HH12 ARG 19 HH12 ARG 19 5.330 -6.694 0.992 132 HH21 ARG 19 HH21 ARG 19 5.181 -5.687 4.336 133 HH22 ARG 19 HH22 ARG 19 5.370 -5.073 2.688 134 H ILE 20 H ILE 20 0.108 -5.574 3.557 135 HA ILE 20 HA ILE 20 -2.780 -5.961 3.411 136 HB ILE 20 HB ILE 20 -2.475 -7.693 4.911 137 HG12 ILE 20 HG13 ILE 20 -3.301 -5.355 6.665 138 HG13 ILE 20 HG12 ILE 20 -4.299 -6.032 5.376 139 HG21 ILE 20 HG21 ILE 20 -1.269 -7.618 7.047 140 HG22 ILE 20 HG22 ILE 20 -0.186 -7.280 5.704 141 HG23 ILE 20 HG23 ILE 20 -0.757 -5.956 6.707 142 HD11 ILE 20 HD11 ILE 20 -3.377 -7.501 7.876 143 HD12 ILE 20 HD12 ILE 20 -5.015 -6.965 7.476 144 HD13 ILE 20 HD13 ILE 20 -4.255 -8.252 6.519 145 H ASN 21 H ASN 21 -0.075 -4.115 4.760 146 HA ASN 21 HA ASN 21 -1.748 -1.673 4.415 147 HB2 ASN 21 HB3 ASN 21 0.224 -1.878 6.719 148 HB3 ASN 21 HB2 ASN 21 -1.081 -0.714 6.480 149 HD21 ASN 21 HD21 ASN 21 -0.257 -3.999 7.390 150 HD22 ASN 21 HD22 ASN 21 -1.743 -4.237 8.352 151 H GLN 22 H GLN 22 0.567 -0.068 5.380 152 HA GLN 22 HA GLN 22 2.487 0.009 3.236 153 HB2 GLN 22 HB3 GLN 22 3.770 1.417 4.700 154 HB3 GLN 22 HB2 GLN 22 2.080 1.805 4.896 155 HG2 GLN 22 HG3 GLN 22 2.619 1.784 7.092 156 HG3 GLN 22 HG2 GLN 22 2.317 0.059 6.970 157 HE21 GLN 22 HE21 GLN 22 4.326 -1.412 6.884 158 HE22 GLN 22 HE22 GLN 22 5.824 -0.659 7.415 159 H ASP 23 H ASP 23 2.022 -2.178 5.853 160 HA ASP 23 HA ASP 23 3.923 -4.002 4.673 161 HB2 ASP 23 HB3 ASP 23 5.063 -3.353 6.763 162 HB3 ASP 23 HB2 ASP 23 3.590 -3.650 7.687 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.329 0.725 0.883 2 HA2 GLY 1 HA3 GLY 1 1.949 -1.184 -0.657 3 HA3 GLY 1 HA2 GLY 1 1.269 0.127 -1.580 4 H LEU 2 H LEU 2 3.769 0.143 -1.768 5 HA LEU 2 HA LEU 2 4.842 2.438 -0.590 6 HB2 LEU 2 HB3 LEU 2 5.014 1.051 1.447 7 HB3 LEU 2 HB2 LEU 2 6.035 -0.092 0.622 8 HG LEU 2 HG LEU 2 7.124 1.461 2.228 9 HD11 LEU 2 HD11 LEU 2 8.433 0.388 0.391 10 HD12 LEU 2 HD12 LEU 2 9.122 1.883 1.047 11 HD13 LEU 2 HD13 LEU 2 8.305 1.915 -0.521 12 HD21 LEU 2 HD21 LEU 2 7.547 3.776 1.700 13 HD22 LEU 2 HD22 LEU 2 5.797 3.488 1.701 14 HD23 LEU 2 HD23 LEU 2 6.673 3.640 0.160 15 H SER 3 H SER 3 6.078 -0.747 -1.808 16 HA SER 3 HA SER 3 7.558 0.767 -3.913 17 HB2 SER 3 HB3 SER 3 9.544 -0.496 -3.582 18 HB3 SER 3 HB2 SER 3 9.069 0.298 -2.082 19 HG SER 3 HG SER 3 8.326 -1.727 -1.283 20 H GLN 4 H GLN 4 7.772 -2.683 -3.533 21 HA GLN 4 HA GLN 4 8.192 -3.887 -5.648 22 HB2 GLN 4 HB3 GLN 4 5.696 -4.468 -4.074 23 HB3 GLN 4 HB2 GLN 4 6.059 -5.445 -5.475 24 HG2 GLN 4 HG3 GLN 4 8.150 -5.074 -3.316 25 HG3 GLN 4 HG2 GLN 4 6.868 -6.281 -3.179 26 HE21 GLN 4 HE21 GLN 4 6.864 -8.179 -4.633 27 HE22 GLN 4 HE22 GLN 4 8.316 -8.426 -5.609 28 H GLY 5 H GLY 5 4.690 -3.071 -5.825 29 HA2 GLY 5 HA3 GLY 5 3.777 -2.024 -7.863 30 HA3 GLY 5 HA2 GLY 5 4.996 -2.846 -8.807 31 H VAL 6 H VAL 6 3.720 -4.953 -6.453 32 HA VAL 6 HA VAL 6 1.713 -6.142 -8.303 33 HB VAL 6 HB VAL 6 2.839 -8.357 -8.262 34 HG11 VAL 6 HG11 VAL 6 4.419 -7.949 -10.015 35 HG12 VAL 6 HG12 VAL 6 3.048 -6.839 -10.215 36 HG13 VAL 6 HG13 VAL 6 4.586 -6.243 -9.558 37 HG21 VAL 6 HG21 VAL 6 4.337 -8.014 -6.302 38 HG22 VAL 6 HG22 VAL 6 5.202 -8.572 -7.732 39 HG23 VAL 6 HG23 VAL 6 5.303 -6.868 -7.256 40 H GLU 7 H GLU 7 2.646 -5.700 -5.008 41 HA GLU 7 HA GLU 7 1.320 -8.197 -4.110 42 HB2 GLU 7 HB3 GLU 7 2.387 -6.043 -2.324 43 HB3 GLU 7 HB2 GLU 7 2.159 -7.723 -1.953 44 HG2 GLU 7 HG3 GLU 7 4.324 -6.605 -3.782 45 HG3 GLU 7 HG2 GLU 7 4.532 -7.077 -2.104 46 HA PRO 8 HA PRO 8 -2.403 -5.950 -2.922 47 HB2 PRO 8 HB3 PRO 8 -3.438 -7.463 -0.898 48 HB3 PRO 8 HB2 PRO 8 -3.395 -7.999 -2.605 49 HG2 PRO 8 HG3 PRO 8 -1.444 -8.694 -0.389 50 HG3 PRO 8 HG2 PRO 8 -2.236 -9.800 -1.553 51 HD2 PRO 8 HD3 PRO 8 0.296 -8.850 -1.930 52 HD3 PRO 8 HD2 PRO 8 -0.810 -9.132 -3.304 53 H ASP 9 H ASP 9 -1.804 -3.981 -2.174 54 HA ASP 9 HA ASP 9 -1.791 -3.633 0.804 55 HB2 ASP 9 HB2 ASP 9 0.344 -2.900 0.093 56 HB3 ASP 9 HB3 ASP 9 -0.303 -2.107 -1.332 57 H ILE 10 H ILE 10 -3.672 -2.808 1.451 58 HA ILE 10 HA ILE 10 -5.113 -0.874 -0.288 59 HB ILE 10 HB ILE 10 -6.668 -2.831 1.395 60 HG12 ILE 10 HG13 ILE 10 -5.718 -3.433 -1.442 61 HG13 ILE 10 HG12 ILE 10 -5.262 -4.315 0.019 62 HG21 ILE 10 HG21 ILE 10 -8.439 -2.272 -0.189 63 HG22 ILE 10 HG22 ILE 10 -7.694 -0.763 0.316 64 HG23 ILE 10 HG23 ILE 10 -7.280 -1.451 -1.264 65 HD11 ILE 10 HD11 ILE 10 -8.021 -4.260 -1.230 66 HD12 ILE 10 HD12 ILE 10 -6.895 -5.617 -1.104 67 HD13 ILE 10 HD13 ILE 10 -7.646 -4.964 0.366 68 H GLY 11 H GLY 11 -3.243 -0.248 1.810 69 HA2 GLY 11 HA3 GLY 11 -4.700 1.873 2.946 70 HA3 GLY 11 HA2 GLY 11 -4.780 0.604 4.155 71 H GLN 12 H GLN 12 -1.708 0.135 2.981 72 HA GLN 12 HA GLN 12 -0.640 1.244 5.401 73 HB2 GLN 12 HB3 GLN 12 0.125 -0.780 3.901 74 HB3 GLN 12 HB2 GLN 12 1.046 0.437 3.035 75 HG2 GLN 12 HG3 GLN 12 2.685 0.003 4.537 76 HG3 GLN 12 HG2 GLN 12 1.785 1.059 5.608 77 HE21 GLN 12 HE21 GLN 12 2.320 0.000 7.633 78 HE22 GLN 12 HE22 GLN 12 1.892 -1.666 7.908 79 H THR 13 H THR 13 -0.404 2.331 2.040 80 HA THR 13 HA THR 13 0.026 5.093 2.556 81 HB THR 13 HB THR 13 2.560 3.494 2.220 82 HG1 THR 13 HG1 THR 13 1.713 4.456 4.187 83 HG21 THR 13 HG21 THR 13 3.769 5.617 1.698 84 HG22 THR 13 HG22 THR 13 2.209 6.379 1.314 85 HG23 THR 13 HG23 THR 13 2.815 5.003 0.352 86 H TYR 14 H TYR 14 1.110 2.634 0.169 87 HA TYR 14 HA TYR 14 -0.559 4.028 -1.899 88 HB2 TYR 14 HB3 TYR 14 1.906 2.399 -2.461 89 HB3 TYR 14 HB2 TYR 14 0.975 3.383 -3.594 90 HD1 TYR 14 HD2 TYR 14 0.767 5.981 -2.034 91 HD2 TYR 14 HD1 TYR 14 4.022 3.242 -2.725 92 HE1 TYR 14 HE2 TYR 14 2.411 7.835 -1.707 93 HE2 TYR 14 HE1 TYR 14 5.652 5.058 -2.368 94 HH TYR 14 HH TYR 14 5.914 7.219 -1.807 95 H PHE 15 H PHE 15 0.268 1.409 -3.578 96 HA PHE 15 HA PHE 15 -2.210 -0.040 -2.719 97 HB2 PHE 15 HB3 PHE 15 -1.486 0.778 -5.534 98 HB3 PHE 15 HB2 PHE 15 -3.027 0.160 -4.950 99 HD1 PHE 15 HD2 PHE 15 -4.304 1.607 -3.196 100 HD2 PHE 15 HD1 PHE 15 -1.043 3.107 -5.571 101 HE1 PHE 15 HE2 PHE 15 -5.011 3.937 -2.692 102 HE2 PHE 15 HE1 PHE 15 -1.744 5.437 -5.071 103 HZ PHE 15 HZ PHE 15 -3.730 5.856 -3.626 104 H GLU 16 H GLU 16 0.989 -0.669 -3.399 105 HA GLU 16 HA GLU 16 0.498 -3.177 -4.935 106 HB2 GLU 16 HB3 GLU 16 1.956 -2.376 -6.598 107 HB3 GLU 16 HB2 GLU 16 0.820 -1.093 -6.268 108 HG2 GLU 16 HG3 GLU 16 3.729 -1.220 -5.353 109 HG3 GLU 16 HG2 GLU 16 3.037 -0.138 -6.565 110 H GLU 17 H GLU 17 1.843 -2.556 -2.122 111 HA GLU 17 HA GLU 17 3.940 -4.633 -2.443 112 HB2 GLU 17 HB3 GLU 17 5.096 -2.501 -2.897 113 HB3 GLU 17 HB2 GLU 17 4.736 -1.969 -1.259 114 HG2 GLU 17 HG3 GLU 17 5.931 -4.702 -1.341 115 HG3 GLU 17 HG2 GLU 17 6.946 -3.504 -2.091 116 H SER 18 H SER 18 2.991 -2.286 0.063 117 HA SER 18 HA SER 18 3.643 -3.794 2.246 118 HB2 SER 18 HB3 SER 18 1.576 -1.610 2.188 119 HB3 SER 18 HB2 SER 18 2.609 -2.107 3.548 120 HG SER 18 HG SER 18 3.351 -0.224 2.297 121 H ARG 19 H ARG 19 2.467 -5.808 1.319 122 HA ARG 19 HA ARG 19 -0.104 -6.448 2.478 123 HB2 ARG 19 HB3 ARG 19 0.895 -8.862 2.403 124 HB3 ARG 19 HB2 ARG 19 0.383 -8.002 0.979 125 HG2 ARG 19 HG3 ARG 19 2.378 -9.279 0.582 126 HG3 ARG 19 HG2 ARG 19 2.610 -7.590 0.237 127 HD2 ARG 19 HD3 ARG 19 3.516 -8.770 2.879 128 HD3 ARG 19 HD2 ARG 19 4.460 -8.996 1.413 129 HE ARG 19 HE ARG 19 4.573 -6.493 1.174 130 HH11 ARG 19 HH11 ARG 19 3.760 -7.547 4.368 131 HH12 ARG 19 HH12 ARG 19 4.748 -6.339 5.135 132 HH21 ARG 19 HH21 ARG 19 5.767 -4.872 2.195 133 HH22 ARG 19 HH22 ARG 19 5.809 -4.834 3.916 134 H ILE 20 H ILE 20 0.376 -5.066 4.275 135 HA ILE 20 HA ILE 20 0.100 -6.942 6.483 136 HB ILE 20 HB ILE 20 1.094 -4.213 7.319 137 HG12 ILE 20 HG13 ILE 20 3.272 -5.509 8.001 138 HG13 ILE 20 HG12 ILE 20 2.908 -6.534 6.619 139 HG21 ILE 20 HG21 ILE 20 -0.182 -5.649 8.865 140 HG22 ILE 20 HG22 ILE 20 1.017 -6.953 8.658 141 HG23 ILE 20 HG23 ILE 20 1.463 -5.409 9.418 142 HD11 ILE 20 HD11 ILE 20 4.484 -4.678 6.074 143 HD12 ILE 20 HD12 ILE 20 2.971 -4.451 5.166 144 HD13 ILE 20 HD13 ILE 20 3.300 -3.494 6.626 145 H ASN 21 H ASN 21 -0.199 -3.547 5.554 146 HA ASN 21 HA ASN 21 -1.959 -2.751 4.302 147 HB2 ASN 21 HB3 ASN 21 -3.333 -4.874 4.759 148 HB3 ASN 21 HB2 ASN 21 -4.043 -3.992 6.112 149 HD21 ASN 21 HD21 ASN 21 -5.029 -1.807 5.359 150 HD22 ASN 21 HD22 ASN 21 -5.878 -1.859 3.813 151 H GLN 22 H GLN 22 -0.854 -2.291 7.281 152 HA GLN 22 HA GLN 22 -0.462 0.167 7.641 153 HB2 GLN 22 HB3 GLN 22 -2.661 0.943 7.023 154 HB3 GLN 22 HB2 GLN 22 -3.396 0.104 8.404 155 HG2 GLN 22 HG3 GLN 22 -2.231 1.617 9.936 156 HG3 GLN 22 HG2 GLN 22 -1.295 2.311 8.605 157 HE21 GLN 22 HE21 GLN 22 -3.093 3.018 6.604 158 HE22 GLN 22 HE22 GLN 22 -4.296 4.057 7.379 159 H ASP 23 H ASP 23 0.454 0.609 9.596 160 HA ASP 23 HA ASP 23 0.087 -1.085 11.950 161 HB2 ASP 23 HB3 ASP 23 2.728 -0.615 10.484 162 HB3 ASP 23 HB2 ASP 23 2.569 -1.307 12.087 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.027 -0.737 1.281 2 HA2 GLY 1 HA3 GLY 1 2.146 0.999 -1.119 3 HA3 GLY 1 HA2 GLY 1 1.996 1.760 0.482 4 H LEU 2 H LEU 2 3.997 2.724 -0.538 5 HA LEU 2 HA LEU 2 6.056 3.362 -0.084 6 HB2 LEU 2 HB3 LEU 2 5.427 2.720 2.217 7 HB3 LEU 2 HB2 LEU 2 6.113 1.118 1.956 8 HG LEU 2 HG LEU 2 8.367 2.127 1.630 9 HD11 LEU 2 HD11 LEU 2 8.716 4.493 2.349 10 HD12 LEU 2 HD12 LEU 2 6.952 4.726 2.385 11 HD13 LEU 2 HD13 LEU 2 7.790 4.383 0.851 12 HD21 LEU 2 HD21 LEU 2 8.711 2.724 3.989 13 HD22 LEU 2 HD22 LEU 2 7.626 1.333 3.842 14 HD23 LEU 2 HD23 LEU 2 6.957 2.938 4.205 15 H SER 3 H SER 3 6.087 -0.120 -0.338 16 HA SER 3 HA SER 3 6.811 -0.836 -2.574 17 HB2 SER 3 HB3 SER 3 9.246 -1.091 -2.999 18 HB3 SER 3 HB2 SER 3 8.563 0.526 -3.184 19 HG SER 3 HG SER 3 9.336 1.074 -1.202 20 H GLN 4 H GLN 4 7.064 -2.932 -2.840 21 HA GLN 4 HA GLN 4 8.354 -4.957 -1.567 22 HB2 GLN 4 HB3 GLN 4 6.193 -3.959 0.207 23 HB3 GLN 4 HB2 GLN 4 6.127 -5.678 -0.038 24 HG2 GLN 4 HG3 GLN 4 8.198 -6.117 0.913 25 HG3 GLN 4 HG2 GLN 4 8.814 -4.484 0.658 26 HE21 GLN 4 HE21 GLN 4 7.651 -2.729 1.842 27 HE22 GLN 4 HE22 GLN 4 7.002 -3.070 3.451 28 H GLY 5 H GLY 5 5.777 -4.141 -3.744 29 HA2 GLY 5 HA3 GLY 5 5.070 -6.979 -4.128 30 HA3 GLY 5 HA2 GLY 5 3.872 -6.048 -3.238 31 H VAL 6 H VAL 6 2.629 -6.973 -5.027 32 HA VAL 6 HA VAL 6 2.284 -5.082 -7.242 33 HB VAL 6 HB VAL 6 2.285 -7.952 -8.131 34 HG11 VAL 6 HG11 VAL 6 3.170 -5.352 -9.468 35 HG12 VAL 6 HG12 VAL 6 2.972 -6.932 -10.265 36 HG13 VAL 6 HG13 VAL 6 1.562 -6.078 -9.632 37 HG21 VAL 6 HG21 VAL 6 4.508 -7.896 -7.108 38 HG22 VAL 6 HG22 VAL 6 4.614 -7.907 -8.868 39 HG23 VAL 6 HG23 VAL 6 4.885 -6.392 -7.984 40 H GLU 7 H GLU 7 0.744 -6.036 -4.825 41 HA GLU 7 HA GLU 7 -1.827 -6.437 -6.101 42 HB2 GLU 7 HB3 GLU 7 -1.141 -8.743 -6.080 43 HB3 GLU 7 HB2 GLU 7 -0.807 -8.706 -4.362 44 HG2 GLU 7 HG3 GLU 7 -3.238 -8.239 -3.929 45 HG3 GLU 7 HG2 GLU 7 -3.533 -8.333 -5.669 46 HA PRO 8 HA PRO 8 -3.066 -5.295 -1.895 47 HB2 PRO 8 HB3 PRO 8 -2.497 -7.105 0.036 48 HB3 PRO 8 HB2 PRO 8 -3.146 -7.586 -1.550 49 HG2 PRO 8 HG3 PRO 8 -0.427 -8.085 -0.501 50 HG3 PRO 8 HG2 PRO 8 -1.256 -8.790 -1.917 51 HD2 PRO 8 HD3 PRO 8 0.485 -6.347 -1.741 52 HD3 PRO 8 HD2 PRO 8 0.267 -7.443 -3.107 53 H ASP 9 H ASP 9 -2.009 -3.084 -1.621 54 HA ASP 9 HA ASP 9 -1.719 -3.026 1.278 55 HB2 ASP 9 HB2 ASP 9 0.183 -1.984 1.659 56 HB3 ASP 9 HB3 ASP 9 0.645 -2.891 0.221 57 H ILE 10 H ILE 10 -3.526 -2.079 -0.959 58 HA ILE 10 HA ILE 10 -4.519 0.102 -1.459 59 HB ILE 10 HB ILE 10 -6.261 -1.430 0.469 60 HG12 ILE 10 HG13 ILE 10 -7.002 -2.468 -1.872 61 HG13 ILE 10 HG12 ILE 10 -5.350 -2.119 -2.346 62 HG21 ILE 10 HG21 ILE 10 -7.146 0.742 -0.359 63 HG22 ILE 10 HG22 ILE 10 -6.860 0.209 -2.035 64 HG23 ILE 10 HG23 ILE 10 -8.045 -0.624 -1.007 65 HD11 ILE 10 HD11 ILE 10 -6.252 -3.868 -0.002 66 HD12 ILE 10 HD12 ILE 10 -5.663 -4.446 -1.572 67 HD13 ILE 10 HD13 ILE 10 -4.561 -3.615 -0.471 68 H GLY 11 H GLY 11 -3.271 1.820 -0.601 69 HA2 GLY 11 HA3 GLY 11 -3.785 3.980 0.154 70 HA3 GLY 11 HA2 GLY 11 -4.906 3.334 1.349 71 H GLN 12 H GLN 12 -2.204 1.468 1.800 72 HA GLN 12 HA GLN 12 -1.402 2.753 4.222 73 HB2 GLN 12 HB3 GLN 12 -1.193 0.372 3.768 74 HB3 GLN 12 HB2 GLN 12 0.001 0.656 2.516 75 HG2 GLN 12 HG3 GLN 12 0.666 1.755 5.236 76 HG3 GLN 12 HG2 GLN 12 0.554 0.007 5.100 77 HE21 GLN 12 HE21 GLN 12 2.758 -0.555 5.314 78 HE22 GLN 12 HE22 GLN 12 3.909 -0.046 4.083 79 H THR 13 H THR 13 -0.289 3.188 1.000 80 HA THR 13 HA THR 13 0.814 5.738 1.330 81 HB THR 13 HB THR 13 2.952 3.591 1.395 82 HG1 THR 13 HG1 THR 13 2.156 4.744 3.263 83 HG21 THR 13 HG21 THR 13 3.343 6.476 0.503 84 HG22 THR 13 HG22 THR 13 3.687 5.013 -0.449 85 HG23 THR 13 HG23 THR 13 4.643 5.366 0.991 86 H TYR 14 H TYR 14 0.969 2.745 -0.483 87 HA TYR 14 HA TYR 14 0.064 4.112 -2.916 88 HB2 TYR 14 HB3 TYR 14 1.591 1.548 -3.202 89 HB3 TYR 14 HB2 TYR 14 1.226 2.772 -4.401 90 HD1 TYR 14 HD2 TYR 14 2.441 5.244 -3.068 91 HD2 TYR 14 HD1 TYR 14 3.843 1.205 -3.596 92 HE1 TYR 14 HE2 TYR 14 4.810 6.009 -2.811 93 HE2 TYR 14 HE1 TYR 14 6.165 1.960 -3.403 94 HH TYR 14 HH TYR 14 7.465 3.674 -2.589 95 H PHE 15 H PHE 15 -0.478 1.294 -4.056 96 HA PHE 15 HA PHE 15 -2.644 0.521 -2.166 97 HB2 PHE 15 HB3 PHE 15 -2.912 0.707 -5.175 98 HB3 PHE 15 HB2 PHE 15 -4.179 0.276 -4.034 99 HD1 PHE 15 HD1 PHE 15 -5.168 2.023 -2.519 100 HD2 PHE 15 HD2 PHE 15 -2.256 3.007 -5.531 101 HE1 PHE 15 HE1 PHE 15 -5.709 4.428 -2.243 102 HE2 PHE 15 HE2 PHE 15 -2.798 5.419 -5.266 103 HZ PHE 15 HZ PHE 15 -4.521 6.135 -3.614 104 H GLU 16 H GLU 16 -0.083 -0.635 -4.042 105 HA GLU 16 HA GLU 16 -1.137 -3.420 -4.044 106 HB2 GLU 16 HB3 GLU 16 0.094 -3.665 -6.174 107 HB3 GLU 16 HB2 GLU 16 -1.237 -2.533 -6.219 108 HG2 GLU 16 HG3 GLU 16 1.659 -1.652 -5.905 109 HG3 GLU 16 HG2 GLU 16 0.889 -1.889 -7.467 110 H GLU 17 H GLU 17 1.182 -1.819 -2.377 111 HA GLU 17 HA GLU 17 3.336 -3.797 -3.020 112 HB2 GLU 17 HB3 GLU 17 3.460 -0.912 -2.206 113 HB3 GLU 17 HB2 GLU 17 4.855 -1.982 -2.169 114 HG2 GLU 17 HG3 GLU 17 3.689 -2.496 -4.704 115 HG3 GLU 17 HG2 GLU 17 3.492 -0.767 -4.496 116 H SER 18 H SER 18 3.115 -1.930 0.052 117 HA SER 18 HA SER 18 4.317 -4.073 1.551 118 HB2 SER 18 HB3 SER 18 2.700 -1.724 2.546 119 HB3 SER 18 HB2 SER 18 3.487 -2.910 3.596 120 HG SER 18 HG SER 18 4.731 -1.197 1.711 121 H ARG 19 H ARG 19 3.164 -5.740 0.803 122 HA ARG 19 HA ARG 19 1.021 -7.053 0.808 123 HB2 ARG 19 HB3 ARG 19 2.344 -9.111 1.664 124 HB3 ARG 19 HB2 ARG 19 2.963 -8.166 0.331 125 HG2 ARG 19 HG3 ARG 19 4.768 -8.820 1.848 126 HG3 ARG 19 HG2 ARG 19 4.624 -7.077 1.729 127 HD2 ARG 19 HD3 ARG 19 3.166 -7.296 3.889 128 HD3 ARG 19 HD2 ARG 19 3.920 -8.889 4.055 129 HE ARG 19 HE ARG 19 5.907 -6.806 3.629 130 HH11 ARG 19 HH11 ARG 19 3.725 -7.707 6.268 131 HH12 ARG 19 HH12 ARG 19 4.570 -6.545 7.277 132 HH21 ARG 19 HH21 ARG 19 6.814 -5.542 5.016 133 HH22 ARG 19 HH22 ARG 19 6.207 -5.389 6.657 134 H ILE 20 H ILE 20 0.950 -5.485 3.540 135 HA ILE 20 HA ILE 20 -1.092 -7.270 4.725 136 HB ILE 20 HB ILE 20 -0.436 -6.915 6.983 137 HG12 ILE 20 HG13 ILE 20 0.577 -4.856 7.236 138 HG13 ILE 20 HG12 ILE 20 1.830 -6.014 7.607 139 HG21 ILE 20 HG21 ILE 20 1.922 -8.023 5.465 140 HG22 ILE 20 HG22 ILE 20 1.489 -8.332 7.159 141 HG23 ILE 20 HG23 ILE 20 0.425 -8.876 5.849 142 HD11 ILE 20 HD11 ILE 20 2.892 -4.316 6.351 143 HD12 ILE 20 HD12 ILE 20 2.687 -5.622 5.188 144 HD13 ILE 20 HD13 ILE 20 1.585 -4.232 5.170 145 H ASN 21 H ASN 21 -0.548 -4.323 3.398 146 HA ASN 21 HA ASN 21 -1.646 -2.344 3.362 147 HB2 ASN 21 HB3 ASN 21 -3.567 -4.212 3.540 148 HB3 ASN 21 HB2 ASN 21 -3.928 -3.356 5.032 149 HD21 ASN 21 HD21 ASN 21 -3.679 -0.687 4.402 150 HD22 ASN 21 HD22 ASN 21 -4.682 -0.350 2.960 151 H GLN 22 H GLN 22 -0.060 -3.169 5.938 152 HA GLN 22 HA GLN 22 -0.325 -0.602 7.309 153 HB2 GLN 22 HB3 GLN 22 -1.879 -2.556 8.353 154 HB3 GLN 22 HB2 GLN 22 -0.362 -3.082 9.046 155 HG2 GLN 22 HG3 GLN 22 -1.295 -1.705 10.690 156 HG3 GLN 22 HG2 GLN 22 -0.129 -0.634 9.935 157 HE21 GLN 22 HE21 GLN 22 -2.431 -0.439 7.518 158 HE22 GLN 22 HE22 GLN 22 -3.412 0.769 8.354 159 H ASP 23 H ASP 23 1.432 -1.725 9.514 160 HA ASP 23 HA ASP 23 2.542 -3.913 8.658 161 HB2 ASP 23 HB3 ASP 23 4.370 -2.130 7.776 162 HB3 ASP 23 HB2 ASP 23 4.926 -2.256 9.433 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.493 -1.178 -1.850 2 HA2 GLY 1 HA3 GLY 1 0.385 1.219 -2.207 3 HA3 GLY 1 HA2 GLY 1 -0.741 1.362 -0.865 4 H LEU 2 H LEU 2 2.518 0.556 -1.747 5 HA LEU 2 HA LEU 2 4.123 2.255 -0.719 6 HB2 LEU 2 HB3 LEU 2 3.362 2.310 1.501 7 HB3 LEU 2 HB2 LEU 2 3.485 0.564 1.703 8 HG LEU 2 HG LEU 2 5.992 0.795 1.607 9 HD11 LEU 2 HD11 LEU 2 5.366 3.777 1.577 10 HD12 LEU 2 HD12 LEU 2 6.158 2.869 0.266 11 HD13 LEU 2 HD13 LEU 2 6.973 3.051 1.825 12 HD21 LEU 2 HD21 LEU 2 6.220 1.840 3.808 13 HD22 LEU 2 HD22 LEU 2 4.777 0.814 3.754 14 HD23 LEU 2 HD23 LEU 2 4.608 2.578 3.646 15 H SER 3 H SER 3 5.072 1.457 -2.458 16 HA SER 3 HA SER 3 5.662 -0.816 -3.518 17 HB2 SER 3 HB3 SER 3 7.647 0.061 -4.572 18 HB3 SER 3 HB2 SER 3 6.453 1.354 -4.384 19 HG SER 3 HG SER 3 8.450 0.878 -2.468 20 H GLN 4 H GLN 4 5.858 -2.610 -2.289 21 HA GLN 4 HA GLN 4 8.625 -3.403 -1.618 22 HB2 GLN 4 HB3 GLN 4 7.341 -2.323 0.447 23 HB3 GLN 4 HB2 GLN 4 6.509 -3.861 0.496 24 HG2 GLN 4 HG3 GLN 4 8.327 -3.895 2.061 25 HG3 GLN 4 HG2 GLN 4 8.721 -5.015 0.770 26 HE21 GLN 4 HE21 GLN 4 9.292 -1.682 -0.308 27 HE22 GLN 4 HE22 GLN 4 11.000 -1.780 0.146 28 H GLY 5 H GLY 5 5.623 -4.267 -2.943 29 HA2 GLY 5 HA3 GLY 5 6.491 -7.070 -3.255 30 HA3 GLY 5 HA2 GLY 5 4.919 -6.779 -2.494 31 H VAL 6 H VAL 6 4.251 -8.103 -4.390 32 HA VAL 6 HA VAL 6 3.098 -6.330 -6.395 33 HB VAL 6 HB VAL 6 4.987 -7.235 -7.609 34 HG11 VAL 6 HG11 VAL 6 3.877 -10.025 -7.117 35 HG12 VAL 6 HG12 VAL 6 5.251 -9.588 -8.150 36 HG13 VAL 6 HG13 VAL 6 5.362 -9.365 -6.396 37 HG21 VAL 6 HG21 VAL 6 2.854 -6.838 -8.784 38 HG22 VAL 6 HG22 VAL 6 3.801 -8.137 -9.528 39 HG23 VAL 6 HG23 VAL 6 2.391 -8.531 -8.522 40 H GLU 7 H GLU 7 1.027 -6.770 -6.578 41 HA GLU 7 HA GLU 7 -1.011 -7.706 -6.477 42 HB2 GLU 7 HB3 GLU 7 0.029 -10.116 -4.959 43 HB3 GLU 7 HB2 GLU 7 -1.630 -9.808 -5.428 44 HG2 GLU 7 HG3 GLU 7 -0.949 -9.710 -7.825 45 HG3 GLU 7 HG2 GLU 7 0.705 -10.106 -7.360 46 HA PRO 8 HA PRO 8 -2.157 -7.256 -2.015 47 HB2 PRO 8 HB3 PRO 8 -0.545 -7.414 0.131 48 HB3 PRO 8 HB2 PRO 8 -0.982 -8.856 -0.832 49 HG2 PRO 8 HG3 PRO 8 1.561 -7.200 -1.051 50 HG3 PRO 8 HG2 PRO 8 1.405 -8.978 -0.912 51 HD2 PRO 8 HD3 PRO 8 1.674 -7.625 -3.284 52 HD3 PRO 8 HD2 PRO 8 0.787 -9.180 -3.139 53 H ASP 9 H ASP 9 -2.804 -5.159 -2.374 54 HA ASP 9 HA ASP 9 -1.700 -3.363 -0.339 55 HB2 ASP 9 HB2 ASP 9 -0.953 -2.640 -2.765 56 HB3 ASP 9 HB3 ASP 9 -2.610 -2.126 -2.949 57 H ILE 10 H ILE 10 -3.322 -1.997 0.527 58 HA ILE 10 HA ILE 10 -6.164 -2.517 -0.145 59 HB ILE 10 HB ILE 10 -5.470 -2.493 2.773 60 HG12 ILE 10 HG13 ILE 10 -5.150 -5.011 1.082 61 HG13 ILE 10 HG12 ILE 10 -3.886 -4.192 2.009 62 HG21 ILE 10 HG21 ILE 10 -7.837 -2.471 1.835 63 HG22 ILE 10 HG22 ILE 10 -7.528 -4.082 1.167 64 HG23 ILE 10 HG23 ILE 10 -7.519 -3.808 2.927 65 HD11 ILE 10 HD11 ILE 10 -6.257 -5.702 3.144 66 HD12 ILE 10 HD12 ILE 10 -4.539 -6.102 3.251 67 HD13 ILE 10 HD13 ILE 10 -5.163 -4.680 4.113 68 H GLY 11 H GLY 11 -3.897 -0.249 0.057 69 HA2 GLY 11 HA3 GLY 11 -4.323 2.071 -0.160 70 HA3 GLY 11 HA2 GLY 11 -5.740 1.944 0.882 71 H GLN 12 H GLN 12 -2.931 0.306 2.073 72 HA GLN 12 HA GLN 12 -3.005 1.737 4.504 73 HB2 GLN 12 HB3 GLN 12 -0.945 0.490 5.089 74 HB3 GLN 12 HB2 GLN 12 -2.251 -0.514 4.496 75 HG2 GLN 12 HG3 GLN 12 -0.394 0.361 2.345 76 HG3 GLN 12 HG2 GLN 12 0.399 -0.562 3.604 77 HE21 GLN 12 HE21 GLN 12 0.472 -2.749 3.103 78 HE22 GLN 12 HE22 GLN 12 -0.793 -3.582 2.220 79 H THR 13 H THR 13 -1.286 2.778 1.716 80 HA THR 13 HA THR 13 -0.387 5.141 3.161 81 HB THR 13 HB THR 13 1.925 4.049 1.615 82 HG1 THR 13 HG1 THR 13 1.493 2.273 2.719 83 HG21 THR 13 HG21 THR 13 1.708 5.476 4.282 84 HG22 THR 13 HG22 THR 13 2.013 6.241 2.705 85 HG23 THR 13 HG23 THR 13 3.203 5.115 3.391 86 H TYR 14 H TYR 14 0.325 3.404 0.159 87 HA TYR 14 HA TYR 14 -0.463 5.774 -1.489 88 HB2 TYR 14 HB3 TYR 14 1.853 3.899 -2.018 89 HB3 TYR 14 HB2 TYR 14 1.426 5.329 -2.956 90 HD1 TYR 14 HD2 TYR 14 1.014 7.335 -0.673 91 HD2 TYR 14 HD1 TYR 14 4.050 4.379 -1.441 92 HE1 TYR 14 HE2 TYR 14 2.629 8.629 0.713 93 HE2 TYR 14 HE1 TYR 14 5.662 5.665 -0.064 94 HH TYR 14 HH TYR 14 5.933 7.442 1.296 95 H PHE 15 H PHE 15 0.517 3.513 -3.700 96 HA PHE 15 HA PHE 15 -2.172 2.160 -3.755 97 HB2 PHE 15 HB3 PHE 15 -0.805 3.405 -6.159 98 HB3 PHE 15 HB2 PHE 15 -2.392 2.652 -6.101 99 HD1 PHE 15 HD1 PHE 15 -4.157 3.757 -4.488 100 HD2 PHE 15 HD2 PHE 15 -0.573 5.731 -5.830 101 HE1 PHE 15 HE1 PHE 15 -5.161 5.956 -3.925 102 HE2 PHE 15 HE2 PHE 15 -1.574 7.934 -5.271 103 HZ PHE 15 HZ PHE 15 -3.873 8.051 -4.317 104 H GLU 16 H GLU 16 1.082 2.175 -5.134 105 HA GLU 16 HA GLU 16 1.073 -0.430 -6.319 106 HB2 GLU 16 HB3 GLU 16 3.335 0.061 -6.784 107 HB3 GLU 16 HB2 GLU 16 2.458 1.569 -6.950 108 HG2 GLU 16 HG3 GLU 16 4.309 0.710 -4.718 109 HG3 GLU 16 HG2 GLU 16 4.599 1.964 -5.907 110 H GLU 17 H GLU 17 2.051 -2.322 -5.698 111 HA GLU 17 HA GLU 17 1.015 -2.827 -3.179 112 HB2 GLU 17 HB3 GLU 17 2.462 -4.848 -4.884 113 HB3 GLU 17 HB2 GLU 17 1.237 -5.152 -3.659 114 HG2 GLU 17 HG3 GLU 17 -0.182 -5.176 -5.437 115 HG3 GLU 17 HG2 GLU 17 -0.196 -3.443 -5.212 116 H SER 18 H SER 18 1.635 -4.192 -1.471 117 HA SER 18 HA SER 18 4.345 -3.421 -0.460 118 HB2 SER 18 HB3 SER 18 2.449 -1.702 -0.163 119 HB3 SER 18 HB2 SER 18 1.792 -2.817 1.050 120 HG SER 18 HG SER 18 4.297 -1.531 0.895 121 H ARG 19 H ARG 19 1.375 -5.091 0.538 122 HA ARG 19 HA ARG 19 1.626 -7.461 1.321 123 HB2 ARG 19 HB3 ARG 19 2.706 -8.051 3.271 124 HB3 ARG 19 HB2 ARG 19 3.890 -7.214 2.348 125 HG2 ARG 19 HG3 ARG 19 2.721 -5.212 4.033 126 HG3 ARG 19 HG2 ARG 19 2.765 -6.686 4.994 127 HD2 ARG 19 HD3 ARG 19 4.776 -5.807 5.549 128 HD3 ARG 19 HD2 ARG 19 5.290 -6.828 4.206 129 HE ARG 19 HE ARG 19 4.980 -4.721 2.774 130 HH11 ARG 19 HH11 ARG 19 6.111 -4.358 6.104 131 HH12 ARG 19 HH12 ARG 19 5.861 -2.650 6.024 132 HH21 ARG 19 HH21 ARG 19 4.670 -2.489 2.915 133 HH22 ARG 19 HH22 ARG 19 5.210 -1.698 4.375 134 H ILE 20 H ILE 20 0.874 -7.575 4.136 135 HA ILE 20 HA ILE 20 -1.919 -7.077 3.648 136 HB ILE 20 HB ILE 20 -2.275 -7.932 5.920 137 HG12 ILE 20 HG13 ILE 20 0.769 -8.122 6.156 138 HG13 ILE 20 HG12 ILE 20 -0.246 -6.967 7.018 139 HG21 ILE 20 HG21 ILE 20 -1.570 -10.196 5.439 140 HG22 ILE 20 HG22 ILE 20 -1.979 -9.406 3.916 141 HG23 ILE 20 HG23 ILE 20 -0.274 -9.630 4.366 142 HD11 ILE 20 HD11 ILE 20 -1.450 -8.850 8.122 143 HD12 ILE 20 HD12 ILE 20 -0.303 -9.984 7.361 144 HD13 ILE 20 HD13 ILE 20 0.281 -8.766 8.506 145 H ASN 21 H ASN 21 0.469 -5.135 5.429 146 HA ASN 21 HA ASN 21 -1.483 -2.942 5.612 147 HB2 ASN 21 HB3 ASN 21 -1.906 -4.024 7.657 148 HB3 ASN 21 HB2 ASN 21 -0.248 -4.512 7.890 149 HD21 ASN 21 HD21 ASN 21 0.816 -3.440 9.442 150 HD22 ASN 21 HD22 ASN 21 0.386 -1.800 9.990 151 H GLN 22 H GLN 22 0.093 -1.109 6.921 152 HA GLN 22 HA GLN 22 2.231 -0.418 5.104 153 HB2 GLN 22 HB3 GLN 22 0.835 1.093 6.616 154 HB3 GLN 22 HB2 GLN 22 1.853 0.566 7.960 155 HG2 GLN 22 HG3 GLN 22 3.834 1.507 6.873 156 HG3 GLN 22 HG2 GLN 22 2.925 1.828 5.392 157 HE21 GLN 22 HE21 GLN 22 0.899 3.404 5.698 158 HE22 GLN 22 HE22 GLN 22 1.236 4.676 6.872 159 H ASP 23 H ASP 23 2.069 -2.318 8.031 160 HA ASP 23 HA ASP 23 3.980 -3.961 6.754 161 HB2 ASP 23 HB3 ASP 23 5.366 -2.844 8.591 162 HB3 ASP 23 HB2 ASP 23 4.314 -3.627 9.763
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