NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25411 | 2k8j | 15951 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 19.675 -4.945 -5.595 2 H2 ARG 1 HT2 ARG 1 19.444 -5.625 -7.134 3 H3 ARG 1 HT3 ARG 1 20.701 -4.522 -6.873 4 HA ARG 1 HA ARG 1 21.398 -6.939 -6.978 5 HB2 ARG 1 HB2 ARG 1 22.491 -4.834 -5.887 6 HB3 ARG 1 HB1 ARG 1 22.023 -5.584 -4.363 7 HG2 ARG 1 HG2 ARG 1 24.142 -6.483 -4.633 8 HG3 ARG 1 HG1 ARG 1 23.171 -7.721 -5.427 9 HD2 ARG 1 HD2 ARG 1 23.574 -6.499 -7.619 10 HD3 ARG 1 HD1 ARG 1 24.755 -5.496 -6.751 11 HE ARG 1 HE ARG 1 24.962 -8.485 -6.868 12 HH11 ARG 1 HH21 ARG 1 26.729 -7.179 -4.892 13 HH12 ARG 1 HH22 ARG 1 28.174 -6.883 -5.793 14 HH21 ARG 1 HH11 ARG 1 26.633 -7.295 -8.891 15 HH22 ARG 1 HH12 ARG 1 28.121 -6.949 -8.078 16 H LEU 2 HN LEU 2 18.637 -7.254 -6.113 17 HA LEU 2 HA LEU 2 17.279 -8.670 -4.846 18 HB2 LEU 2 HB2 LEU 2 20.015 -9.930 -4.754 19 HB3 LEU 2 HB1 LEU 2 18.677 -10.663 -3.872 20 HG LEU 2 HG LEU 2 17.494 -10.183 -6.291 21 HD11 LEU 2 HD11 LEU 2 20.362 -10.989 -6.863 22 HD12 LEU 2 HD12 LEU 2 19.661 -9.415 -7.243 23 HD13 LEU 2 HD13 LEU 2 19.058 -10.866 -8.044 24 HD21 LEU 2 HD21 LEU 2 17.326 -12.294 -5.148 25 HD22 LEU 2 HD22 LEU 2 19.056 -12.593 -5.321 26 HD23 LEU 2 HD23 LEU 2 18.007 -12.632 -6.740 27 H VAL 3 HN VAL 3 16.830 -6.943 -3.310 28 HA VAL 3 HA VAL 3 18.407 -6.490 -0.935 29 HB VAL 3 HB VAL 3 16.373 -5.278 -0.161 30 HG11 VAL 3 HG11 VAL 3 16.607 -3.533 -1.686 31 HG12 VAL 3 HG12 VAL 3 16.743 -4.620 -3.067 32 HG13 VAL 3 HG13 VAL 3 18.091 -4.449 -1.944 33 HG21 VAL 3 HG21 VAL 3 14.849 -5.457 -2.615 34 HG22 VAL 3 HG22 VAL 3 14.316 -5.765 -0.964 35 HG23 VAL 3 HG23 VAL 3 15.032 -7.064 -1.914 36 HA PRO 4 HA PRO 4 16.891 -9.842 1.545 37 HB2 PRO 4 HB2 PRO 4 17.784 -8.978 3.974 38 HB3 PRO 4 HB1 PRO 4 18.862 -9.572 2.698 39 HG2 PRO 4 HG2 PRO 4 18.483 -6.856 3.682 40 HG3 PRO 4 HG1 PRO 4 19.818 -7.546 2.752 41 HD2 PRO 4 HD2 PRO 4 17.639 -5.932 1.812 42 HD3 PRO 4 HD1 PRO 4 19.018 -6.578 0.895 43 H GLY 5 HN GLY 5 14.729 -8.075 0.943 44 HA2 GLY 5 HA2 GLY 5 12.514 -8.042 1.877 45 HA3 GLY 5 HA1 GLY 5 13.210 -8.211 3.484 46 H ALA 6 HN ALA 6 15.192 -5.990 2.931 47 HA ALA 6 HA ALA 6 13.908 -3.801 4.103 48 HB1 ALA 6 HB1 ALA 6 16.329 -4.083 3.901 49 HB2 ALA 6 HB2 ALA 6 15.850 -2.522 3.238 50 HB3 ALA 6 HB3 ALA 6 16.223 -3.862 2.154 51 H ALA 7 HN ALA 7 14.567 -4.187 0.630 52 HA ALA 7 HA ALA 7 12.646 -1.989 0.013 53 HB1 ALA 7 HB1 ALA 7 14.271 -3.430 -2.050 54 HB2 ALA 7 HB2 ALA 7 15.125 -2.428 -0.876 55 HB3 ALA 7 HB3 ALA 7 13.897 -1.711 -1.917 56 H TYR 8 HN TYR 8 11.746 -4.733 0.886 57 HA TYR 8 HA TYR 8 10.325 -5.626 -1.592 58 HB2 TYR 8 HB2 TYR 8 11.772 -6.968 0.530 59 HB3 TYR 8 HB1 TYR 8 10.107 -7.540 0.487 60 HD1 TYR 8 HD1 TYR 8 9.175 -7.975 -1.995 61 HD2 TYR 8 HD2 TYR 8 13.316 -8.027 -0.848 62 HE1 TYR 8 HE1 TYR 8 9.706 -9.367 -3.975 63 HE2 TYR 8 HE2 TYR 8 13.846 -9.422 -2.830 64 HH TYR 8 HH TYR 8 12.205 -11.169 -4.342 65 H ALA 9 HN ALA 9 9.867 -5.549 1.938 66 HA ALA 9 HA ALA 9 6.986 -5.537 1.858 67 HB1 ALA 9 HB1 ALA 9 8.272 -6.226 3.826 68 HB2 ALA 9 HB2 ALA 9 7.251 -4.853 4.253 69 HB3 ALA 9 HB3 ALA 9 8.972 -4.612 3.957 70 H LEU 10 HN LEU 10 9.395 -2.983 2.177 71 HA LEU 10 HA LEU 10 7.733 -0.692 2.494 72 HB2 LEU 10 HB2 LEU 10 10.438 -1.317 2.167 73 HB3 LEU 10 HB1 LEU 10 10.076 -0.314 0.769 74 HG LEU 10 HG LEU 10 9.142 0.551 3.494 75 HD11 LEU 10 HD11 LEU 10 11.244 1.712 3.862 76 HD12 LEU 10 HD12 LEU 10 11.878 1.133 2.321 77 HD13 LEU 10 HD13 LEU 10 11.584 -0.004 3.638 78 HD21 LEU 10 HD21 LEU 10 9.381 2.776 2.452 79 HD22 LEU 10 HD22 LEU 10 8.365 1.736 1.454 80 HD23 LEU 10 HD23 LEU 10 10.043 2.032 0.996 81 H TYR 11 HN TYR 11 8.724 -2.467 -0.404 82 HA TYR 11 HA TYR 11 7.503 -0.567 -2.274 83 HB2 TYR 11 HB2 TYR 11 8.941 -3.211 -2.423 84 HB3 TYR 11 HB1 TYR 11 8.163 -2.539 -3.853 85 HD1 TYR 11 HD1 TYR 11 10.392 -1.384 -1.044 86 HD2 TYR 11 HD2 TYR 11 9.462 -1.185 -5.233 87 HE1 TYR 11 HE1 TYR 11 12.328 0.111 -1.399 88 HE2 TYR 11 HE2 TYR 11 11.405 0.316 -5.587 89 HH TYR 11 HH TYR 11 12.835 2.016 -3.386 90 H GLY 12 HN GLY 12 6.692 -3.673 -0.829 91 HA2 GLY 12 HA2 GLY 12 4.257 -3.977 -2.444 92 HA3 GLY 12 HA1 GLY 12 4.818 -5.086 -1.201 93 H VAL 13 HN VAL 13 4.929 -2.056 0.229 94 HA VAL 13 HA VAL 13 2.271 -2.510 1.486 95 HB VAL 13 HB VAL 13 4.451 -2.466 2.796 96 HG11 VAL 13 HG11 VAL 13 5.200 -0.342 1.429 97 HG12 VAL 13 HG12 VAL 13 5.650 -0.502 3.124 98 HG13 VAL 13 HG13 VAL 13 4.292 0.527 2.665 99 HG21 VAL 13 HG21 VAL 13 2.351 -0.414 3.551 100 HG22 VAL 13 HG22 VAL 13 3.487 -1.190 4.654 101 HG23 VAL 13 HG23 VAL 13 2.241 -2.148 3.855 102 H TRP 14 HN TRP 14 4.054 -0.137 -0.378 103 HA TRP 14 HA TRP 14 2.509 2.194 0.079 104 HB2 TRP 14 HB2 TRP 14 4.654 2.067 -1.159 105 HB3 TRP 14 HB1 TRP 14 3.837 1.258 -2.479 106 HD1 TRP 14 HD1 TRP 14 4.102 3.096 -4.269 107 HE1 TRP 14 HE1 TRP 14 3.148 5.468 -4.556 108 HE3 TRP 14 HE3 TRP 14 2.174 3.865 0.410 109 HZ2 TRP 14 HZ2 TRP 14 1.753 7.433 -3.021 110 HZ3 TRP 14 HZ3 TRP 14 1.042 5.988 0.960 111 HH2 TRP 14 HH2 TRP 14 0.827 7.775 -0.744 112 HA PRO 15 HA PRO 15 -0.312 0.889 -3.603 113 HB2 PRO 15 HB2 PRO 15 -0.380 -1.771 -4.266 114 HB3 PRO 15 HB1 PRO 15 0.694 -0.591 -5.045 115 HG2 PRO 15 HG2 PRO 15 1.296 -2.549 -2.885 116 HG3 PRO 15 HG1 PRO 15 2.268 -2.085 -4.294 117 HD2 PRO 15 HD2 PRO 15 2.759 -1.140 -1.825 118 HD3 PRO 15 HD1 PRO 15 3.080 -0.176 -3.281 119 H LEU 16 HN LEU 16 0.163 -1.207 -0.794 120 HA LEU 16 HA LEU 16 -2.592 -2.101 -0.574 121 HB2 LEU 16 HB2 LEU 16 -0.156 -2.684 0.630 122 HB3 LEU 16 HB1 LEU 16 -1.005 -1.817 1.902 123 HG LEU 16 HG LEU 16 -1.440 -4.211 2.099 124 HD11 LEU 16 HD11 LEU 16 -3.812 -4.138 2.267 125 HD12 LEU 16 HD12 LEU 16 -3.945 -2.951 0.970 126 HD13 LEU 16 HD13 LEU 16 -3.272 -2.479 2.530 127 HD21 LEU 16 HD21 LEU 16 -2.744 -4.083 -0.632 128 HD22 LEU 16 HD22 LEU 16 -2.420 -5.513 0.346 129 HD23 LEU 16 HD23 LEU 16 -1.085 -4.632 -0.393 130 H LEU 17 HN LEU 17 -0.688 0.480 0.937 131 HA LEU 17 HA LEU 17 -2.858 1.663 2.432 132 HB2 LEU 17 HB2 LEU 17 -0.143 1.984 2.314 133 HB3 LEU 17 HB1 LEU 17 -0.664 3.396 1.395 134 HG LEU 17 HG LEU 17 -2.051 2.817 3.983 135 HD11 LEU 17 HD11 LEU 17 -0.286 4.117 5.184 136 HD12 LEU 17 HD12 LEU 17 0.718 4.030 3.737 137 HD13 LEU 17 HD13 LEU 17 0.289 2.555 4.603 138 HD21 LEU 17 HD21 LEU 17 -1.118 5.369 2.624 139 HD22 LEU 17 HD22 LEU 17 -2.149 5.275 4.052 140 HD23 LEU 17 HD23 LEU 17 -2.740 4.691 2.497 141 H LEU 18 HN LEU 18 -1.542 2.127 -0.806 142 HA LEU 18 HA LEU 18 -3.129 4.363 -1.660 143 HB2 LEU 18 HB2 LEU 18 -1.715 2.035 -2.962 144 HB3 LEU 18 HB1 LEU 18 -2.699 3.101 -3.950 145 HG LEU 18 HG LEU 18 -0.437 4.031 -2.154 146 HD11 LEU 18 HD11 LEU 18 0.592 2.801 -3.906 147 HD12 LEU 18 HD12 LEU 18 0.659 4.481 -4.435 148 HD13 LEU 18 HD13 LEU 18 -0.556 3.395 -5.106 149 HD21 LEU 18 HD21 LEU 18 -2.024 5.458 -4.316 150 HD22 LEU 18 HD22 LEU 18 -0.673 6.143 -3.414 151 HD23 LEU 18 HD23 LEU 18 -2.173 5.740 -2.581 152 H LEU 19 HN LEU 19 -3.603 0.825 -1.832 153 HA LEU 19 HA LEU 19 -6.184 0.803 -3.083 154 HB2 LEU 19 HB2 LEU 19 -4.279 -1.022 -2.106 155 HB3 LEU 19 HB1 LEU 19 -5.722 -1.346 -1.160 156 HG LEU 19 HG LEU 19 -6.701 -1.036 -3.750 157 HD11 LEU 19 HD11 LEU 19 -3.964 -2.286 -3.751 158 HD12 LEU 19 HD12 LEU 19 -4.674 -1.164 -4.910 159 HD13 LEU 19 HD13 LEU 19 -5.190 -2.850 -4.886 160 HD21 LEU 19 HD21 LEU 19 -6.005 -3.426 -2.034 161 HD22 LEU 19 HD22 LEU 19 -6.772 -3.628 -3.609 162 HD23 LEU 19 HD23 LEU 19 -7.592 -2.717 -2.341 163 H LEU 20 HN LEU 20 -5.144 0.865 0.286 164 HA LEU 20 HA LEU 20 -7.745 0.733 1.532 165 HB2 LEU 20 HB2 LEU 20 -4.933 1.118 2.229 166 HB3 LEU 20 HB1 LEU 20 -5.977 2.118 3.225 167 HG LEU 20 HG LEU 20 -5.604 -0.073 4.268 168 HD11 LEU 20 HD11 LEU 20 -7.868 -0.577 4.801 169 HD12 LEU 20 HD12 LEU 20 -8.444 -0.003 3.236 170 HD13 LEU 20 HD13 LEU 20 -7.840 1.146 4.429 171 HD21 LEU 20 HD21 LEU 20 -6.845 -2.033 3.037 172 HD22 LEU 20 HD22 LEU 20 -5.208 -1.607 2.550 173 HD23 LEU 20 HD23 LEU 20 -6.581 -1.054 1.594 174 H LEU 21 HN LEU 21 -5.711 3.452 0.433 175 HA LEU 21 HA LEU 21 -7.214 5.602 1.569 176 HB2 LEU 21 HB2 LEU 21 -4.899 5.631 0.550 177 HB3 LEU 21 HB1 LEU 21 -5.664 5.558 -1.035 178 HG LEU 21 HG LEU 21 -6.747 7.657 0.741 179 HD11 LEU 21 HD11 LEU 21 -4.299 7.669 1.314 180 HD12 LEU 21 HD12 LEU 21 -4.851 9.151 0.534 181 HD13 LEU 21 HD13 LEU 21 -3.949 7.952 -0.392 182 HD21 LEU 21 HD21 LEU 21 -6.866 8.871 -1.290 183 HD22 LEU 21 HD22 LEU 21 -7.153 7.204 -1.784 184 HD23 LEU 21 HD23 LEU 21 -5.567 7.934 -2.029 185 H ALA 22 HN ALA 22 -7.531 3.875 -1.497 186 HA ALA 22 HA ALA 22 -10.107 5.321 -2.037 187 HB1 ALA 22 HB1 ALA 22 -9.511 5.331 -4.278 188 HB2 ALA 22 HB2 ALA 22 -8.589 3.834 -4.146 189 HB3 ALA 22 HB3 ALA 22 -7.901 5.348 -3.559 190 H LEU 23 HN LEU 23 -10.047 3.098 -0.252 191 HA LEU 23 HA LEU 23 -10.809 0.678 -1.737 192 HB2 LEU 23 HB2 LEU 23 -9.442 0.780 0.398 193 HB3 LEU 23 HB1 LEU 23 -10.922 1.234 1.231 194 HG LEU 23 HG LEU 23 -11.303 -1.108 -0.474 195 HD11 LEU 23 HD11 LEU 23 -9.929 -2.669 0.696 196 HD12 LEU 23 HD12 LEU 23 -9.452 -1.464 1.891 197 HD13 LEU 23 HD13 LEU 23 -8.864 -1.343 0.232 198 HD21 LEU 23 HD21 LEU 23 -11.615 -0.629 2.511 199 HD22 LEU 23 HD22 LEU 23 -12.287 -1.989 1.612 200 HD23 LEU 23 HD23 LEU 23 -12.864 -0.353 1.296 201 HA PRO 24 HA PRO 24 -15.117 1.826 -1.529 202 HB2 PRO 24 HB2 PRO 24 -16.026 -0.282 -3.004 203 HB3 PRO 24 HB1 PRO 24 -15.201 1.117 -3.716 204 HG2 PRO 24 HG2 PRO 24 -14.244 -1.617 -3.353 205 HG3 PRO 24 HG1 PRO 24 -13.668 -0.352 -4.445 206 HD2 PRO 24 HD2 PRO 24 -12.530 -1.188 -1.960 207 HD3 PRO 24 HD1 PRO 24 -11.949 0.087 -3.048 208 HA PRO 25 HA PRO 25 -16.690 -0.674 1.777 209 HB2 PRO 25 HB2 PRO 25 -19.378 -0.273 1.498 210 HB3 PRO 25 HB1 PRO 25 -18.272 0.969 2.122 211 HG2 PRO 25 HG2 PRO 25 -19.458 0.686 -0.583 212 HG3 PRO 25 HG1 PRO 25 -19.146 2.147 0.367 213 HD2 PRO 25 HD2 PRO 25 -17.566 1.318 -1.691 214 HD3 PRO 25 HD1 PRO 25 -16.985 2.300 -0.329 215 H ARG 26 HN ARG 26 -18.099 -2.601 2.189 216 HA ARG 26 HA ARG 26 -17.802 -4.665 0.248 217 HB2 ARG 26 HB2 ARG 26 -19.110 -5.998 1.811 218 HB3 ARG 26 HB1 ARG 26 -18.018 -4.950 2.710 219 HG2 ARG 26 HG2 ARG 26 -20.079 -3.303 2.733 220 HG3 ARG 26 HG1 ARG 26 -21.004 -4.772 2.419 221 HD2 ARG 26 HD2 ARG 26 -20.120 -5.826 4.434 222 HD3 ARG 26 HD1 ARG 26 -19.056 -4.435 4.729 223 HE ARG 26 HE ARG 26 -21.120 -3.040 4.973 224 HH11 ARG 26 HH11 ARG 26 -22.990 -5.136 3.800 225 HH12 ARG 26 HH12 ARG 26 -23.776 -5.730 5.223 226 HH21 ARG 26 HH21 ARG 26 -21.419 -4.372 7.402 227 HH22 ARG 26 HH22 ARG 26 -22.878 -5.292 7.280 228 H ALA 27 HN ALA 27 -20.511 -2.442 0.800 229 HA ALA 27 HA ALA 27 -22.191 -3.912 -1.166 230 HB1 ALA 27 HB1 ALA 27 -22.826 -1.469 0.506 231 HB2 ALA 27 HB2 ALA 27 -23.011 -3.122 1.092 232 HB3 ALA 27 HB3 ALA 27 -23.972 -2.557 -0.274 233 H TYR 28 HN TYR 28 -19.747 -1.861 -1.598 234 HA TYR 28 HA TYR 28 -19.057 -0.482 -3.309 235 HB2 TYR 28 HB2 TYR 28 -19.929 -1.482 -5.126 236 HB3 TYR 28 HB1 TYR 28 -21.437 -1.849 -4.310 237 HD1 TYR 28 HD2 TYR 28 -19.577 0.885 -6.050 238 HD2 TYR 28 HD1 TYR 28 -23.401 -0.618 -4.794 239 HE1 TYR 28 HE2 TYR 28 -20.706 2.660 -7.360 240 HE2 TYR 28 HE1 TYR 28 -24.528 1.159 -6.104 241 HH TYR 28 HH TYR 28 -23.570 2.640 -8.394 242 H ALA 29 HN ALA 29 -22.450 0.242 -2.462 243 HA ALA 29 HA ALA 29 -23.476 2.186 -1.691 244 HB1 ALA 29 HB1 ALA 29 -20.763 3.499 -1.547 245 HB2 ALA 29 HB2 ALA 29 -21.226 2.249 -0.392 246 HB3 ALA 29 HB3 ALA 29 -22.164 3.736 -0.502 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 21.532 1.309 -11.016 2 H2 ARG 1 HT2 ARG 1 20.472 0.010 -11.296 3 H3 ARG 1 HT3 ARG 1 21.773 -0.165 -10.218 4 HA ARG 1 HA ARG 1 20.785 1.449 -8.698 5 HB2 ARG 1 HB2 ARG 1 19.056 1.731 -11.109 6 HB3 ARG 1 HB1 ARG 1 18.248 1.879 -9.549 7 HG2 ARG 1 HG2 ARG 1 19.707 3.671 -8.871 8 HG3 ARG 1 HG1 ARG 1 20.748 3.429 -10.275 9 HD2 ARG 1 HD2 ARG 1 19.155 4.316 -11.771 10 HD3 ARG 1 HD1 ARG 1 17.817 4.087 -10.626 11 HE ARG 1 HE ARG 1 20.014 6.076 -10.157 12 HH11 ARG 1 HH21 ARG 1 17.309 6.825 -11.424 13 HH12 ARG 1 HH22 ARG 1 16.471 7.460 -10.050 14 HH21 ARG 1 HH11 ARG 1 18.704 6.104 -7.744 15 HH22 ARG 1 HH12 ARG 1 17.269 7.048 -7.947 16 H LEU 2 HN LEU 2 20.320 0.012 -7.069 17 HA LEU 2 HA LEU 2 18.006 -1.818 -7.315 18 HB2 LEU 2 HB2 LEU 2 20.203 -2.837 -8.267 19 HB3 LEU 2 HB1 LEU 2 20.704 -2.947 -6.581 20 HG LEU 2 HG LEU 2 17.986 -3.934 -6.939 21 HD11 LEU 2 HD11 LEU 2 20.190 -5.375 -8.441 22 HD12 LEU 2 HD12 LEU 2 18.865 -4.492 -9.199 23 HD13 LEU 2 HD13 LEU 2 18.530 -5.930 -8.237 24 HD21 LEU 2 HD21 LEU 2 19.278 -4.440 -4.960 25 HD22 LEU 2 HD22 LEU 2 20.602 -5.090 -5.927 26 HD23 LEU 2 HD23 LEU 2 19.065 -5.949 -5.845 27 H VAL 3 HN VAL 3 17.347 -2.661 -5.216 28 HA VAL 3 HA VAL 3 18.690 -1.389 -2.857 29 HB VAL 3 HB VAL 3 16.345 -1.144 -1.932 30 HG11 VAL 3 HG11 VAL 3 17.584 0.758 -2.880 31 HG12 VAL 3 HG12 VAL 3 15.860 0.892 -3.225 32 HG13 VAL 3 HG13 VAL 3 16.973 0.360 -4.487 33 HG21 VAL 3 HG21 VAL 3 15.251 -1.206 -4.703 34 HG22 VAL 3 HG22 VAL 3 14.470 -1.610 -3.177 35 HG23 VAL 3 HG23 VAL 3 15.546 -2.772 -3.949 36 HA PRO 4 HA PRO 4 18.353 -5.422 -1.082 37 HB2 PRO 4 HB2 PRO 4 18.480 -4.802 1.576 38 HB3 PRO 4 HB1 PRO 4 19.874 -4.665 0.488 39 HG2 PRO 4 HG2 PRO 4 18.198 -2.556 1.657 40 HG3 PRO 4 HG1 PRO 4 19.876 -2.498 1.104 41 HD2 PRO 4 HD2 PRO 4 17.609 -1.532 -0.259 42 HD3 PRO 4 HD1 PRO 4 19.262 -1.675 -0.892 43 H GLY 5 HN GLY 5 17.048 -6.340 1.150 44 HA2 GLY 5 HA2 GLY 5 14.317 -6.499 0.448 45 HA3 GLY 5 HA1 GLY 5 14.954 -6.898 2.040 46 H ALA 6 HN ALA 6 15.976 -4.084 2.388 47 HA ALA 6 HA ALA 6 13.985 -2.897 3.930 48 HB1 ALA 6 HB1 ALA 6 15.341 -0.830 3.596 49 HB2 ALA 6 HB2 ALA 6 16.188 -1.643 2.281 50 HB3 ALA 6 HB3 ALA 6 16.331 -2.250 3.931 51 H ALA 7 HN ALA 7 14.712 -2.113 0.531 52 HA ALA 7 HA ALA 7 12.192 -0.525 0.366 53 HB1 ALA 7 HB1 ALA 7 14.806 -0.649 -1.062 54 HB2 ALA 7 HB2 ALA 7 13.872 0.753 -0.543 55 HB3 ALA 7 HB3 ALA 7 13.407 -0.124 -1.999 56 H TYR 8 HN TYR 8 12.170 -3.539 0.399 57 HA TYR 8 HA TYR 8 10.971 -4.013 -2.304 58 HB2 TYR 8 HB2 TYR 8 12.734 -5.615 -0.511 59 HB3 TYR 8 HB1 TYR 8 11.483 -6.501 -1.375 60 HD1 TYR 8 HD1 TYR 8 11.361 -4.891 -3.928 61 HD2 TYR 8 HD2 TYR 8 14.704 -6.275 -1.612 62 HE1 TYR 8 HE1 TYR 8 12.778 -4.869 -5.959 63 HE2 TYR 8 HE2 TYR 8 16.119 -6.251 -3.643 64 HH TYR 8 HH TYR 8 15.472 -4.630 -6.316 65 H ALA 9 HN ALA 9 10.810 -5.244 1.031 66 HA ALA 9 HA ALA 9 8.099 -6.192 0.873 67 HB1 ALA 9 HB1 ALA 9 8.309 -6.222 3.370 68 HB2 ALA 9 HB2 ALA 9 9.815 -5.318 3.220 69 HB3 ALA 9 HB3 ALA 9 9.700 -6.954 2.569 70 H LEU 10 HN LEU 10 9.536 -3.140 1.856 71 HA LEU 10 HA LEU 10 7.267 -1.774 2.913 72 HB2 LEU 10 HB2 LEU 10 9.930 -1.253 2.480 73 HB3 LEU 10 HB1 LEU 10 9.187 -0.231 1.256 74 HG LEU 10 HG LEU 10 8.275 -0.218 4.140 75 HD11 LEU 10 HD11 LEU 10 10.651 0.417 4.053 76 HD12 LEU 10 HD12 LEU 10 9.648 1.829 4.389 77 HD13 LEU 10 HD13 LEU 10 10.304 1.577 2.771 78 HD21 LEU 10 HD21 LEU 10 7.966 1.724 1.820 79 HD22 LEU 10 HD22 LEU 10 7.380 2.007 3.459 80 HD23 LEU 10 HD23 LEU 10 6.695 0.702 2.492 81 H TYR 11 HN TYR 11 8.597 -1.829 -0.409 82 HA TYR 11 HA TYR 11 6.501 -0.255 -1.593 83 HB2 TYR 11 HB2 TYR 11 8.824 -1.877 -2.456 84 HB3 TYR 11 HB1 TYR 11 7.564 -1.650 -3.667 85 HD1 TYR 11 HD2 TYR 11 6.826 0.669 -4.286 86 HD2 TYR 11 HD1 TYR 11 10.239 -0.060 -1.781 87 HE1 TYR 11 HE2 TYR 11 7.618 2.984 -4.688 88 HE2 TYR 11 HE1 TYR 11 11.029 2.256 -2.182 89 HH TYR 11 HH TYR 11 9.370 4.638 -3.060 90 H GLY 12 HN GLY 12 6.634 -3.608 -0.713 91 HA2 GLY 12 HA2 GLY 12 4.642 -4.575 -2.581 92 HA3 GLY 12 HA1 GLY 12 5.177 -5.408 -1.119 93 H VAL 13 HN VAL 13 4.563 -3.389 0.785 94 HA VAL 13 HA VAL 13 1.640 -3.722 0.935 95 HB VAL 13 HB VAL 13 1.933 -2.864 3.229 96 HG11 VAL 13 HG11 VAL 13 2.296 -5.250 2.803 97 HG12 VAL 13 HG12 VAL 13 3.381 -4.676 4.069 98 HG13 VAL 13 HG13 VAL 13 3.994 -4.940 2.436 99 HG21 VAL 13 HG21 VAL 13 3.914 -1.976 4.058 100 HG22 VAL 13 HG22 VAL 13 3.979 -1.384 2.400 101 HG23 VAL 13 HG23 VAL 13 4.912 -2.807 2.865 102 H TRP 14 HN TRP 14 3.731 -1.284 -0.219 103 HA TRP 14 HA TRP 14 2.411 1.108 0.553 104 HB2 TRP 14 HB2 TRP 14 4.622 0.941 -0.559 105 HB3 TRP 14 HB1 TRP 14 3.830 0.455 -2.044 106 HD1 TRP 14 HD1 TRP 14 4.401 2.515 -3.484 107 HE1 TRP 14 HE1 TRP 14 3.729 4.997 -3.413 108 HE3 TRP 14 HE3 TRP 14 2.252 2.732 1.155 109 HZ2 TRP 14 HZ2 TRP 14 2.451 6.837 -1.635 110 HZ3 TRP 14 HZ3 TRP 14 1.319 4.855 2.002 111 HH2 TRP 14 HH2 TRP 14 1.414 6.908 0.619 112 HA PRO 15 HA PRO 15 -0.284 0.776 -3.414 113 HB2 PRO 15 HB2 PRO 15 -0.501 -1.671 -4.628 114 HB3 PRO 15 HB1 PRO 15 0.704 -0.452 -5.095 115 HG2 PRO 15 HG2 PRO 15 1.027 -2.858 -3.371 116 HG3 PRO 15 HG1 PRO 15 2.117 -2.194 -4.601 117 HD2 PRO 15 HD2 PRO 15 2.513 -1.826 -1.962 118 HD3 PRO 15 HD1 PRO 15 3.003 -0.620 -3.169 119 H LEU 16 HN LEU 16 -0.085 -2.006 -1.209 120 HA LEU 16 HA LEU 16 -2.913 -2.633 -1.239 121 HB2 LEU 16 HB2 LEU 16 -0.487 -3.306 0.359 122 HB3 LEU 16 HB1 LEU 16 -2.029 -3.494 1.190 123 HG LEU 16 HG LEU 16 -2.809 -4.816 -0.865 124 HD11 LEU 16 HD11 LEU 16 0.187 -4.868 -1.346 125 HD12 LEU 16 HD12 LEU 16 -1.002 -4.081 -2.383 126 HD13 LEU 16 HD13 LEU 16 -1.007 -5.835 -2.209 127 HD21 LEU 16 HD21 LEU 16 -0.625 -5.776 1.000 128 HD22 LEU 16 HD22 LEU 16 -1.460 -6.866 -0.106 129 HD23 LEU 16 HD23 LEU 16 -2.366 -6.021 1.149 130 H LEU 17 HN LEU 17 -0.833 -0.654 0.825 131 HA LEU 17 HA LEU 17 -2.925 0.332 2.568 132 HB2 LEU 17 HB2 LEU 17 -0.092 1.080 1.862 133 HB3 LEU 17 HB1 LEU 17 -1.056 2.214 2.804 134 HG LEU 17 HG LEU 17 -0.752 -0.692 3.590 135 HD11 LEU 17 HD11 LEU 17 0.893 1.698 4.478 136 HD12 LEU 17 HD12 LEU 17 1.480 0.328 3.535 137 HD13 LEU 17 HD13 LEU 17 0.962 0.093 5.205 138 HD21 LEU 17 HD21 LEU 17 -1.352 0.291 5.839 139 HD22 LEU 17 HD22 LEU 17 -2.632 0.439 4.637 140 HD23 LEU 17 HD23 LEU 17 -1.627 1.834 5.031 141 H LEU 18 HN LEU 18 -1.449 1.424 -0.448 142 HA LEU 18 HA LEU 18 -2.757 3.957 -0.746 143 HB2 LEU 18 HB2 LEU 18 -1.538 1.871 -2.544 144 HB3 LEU 18 HB1 LEU 18 -2.418 3.199 -3.281 145 HG LEU 18 HG LEU 18 -0.151 3.568 -1.301 146 HD11 LEU 18 HD11 LEU 18 0.865 2.603 -3.216 147 HD12 LEU 18 HD12 LEU 18 1.068 4.340 -3.433 148 HD13 LEU 18 HD13 LEU 18 -0.191 3.483 -4.322 149 HD21 LEU 18 HD21 LEU 18 -1.467 5.506 -3.234 150 HD22 LEU 18 HD22 LEU 18 -0.186 5.885 -2.082 151 HD23 LEU 18 HD23 LEU 18 -1.791 5.445 -1.501 152 H LEU 19 HN LEU 19 -3.641 0.636 -1.749 153 HA LEU 19 HA LEU 19 -6.171 1.264 -2.970 154 HB2 LEU 19 HB2 LEU 19 -4.568 -0.915 -2.782 155 HB3 LEU 19 HB1 LEU 19 -5.751 -1.330 -1.555 156 HG LEU 19 HG LEU 19 -6.323 -2.237 -3.803 157 HD11 LEU 19 HD11 LEU 19 -8.369 -0.137 -3.137 158 HD12 LEU 19 HD12 LEU 19 -8.026 -1.435 -1.994 159 HD13 LEU 19 HD13 LEU 19 -8.613 -1.817 -3.612 160 HD21 LEU 19 HD21 LEU 19 -5.374 -0.085 -4.946 161 HD22 LEU 19 HD22 LEU 19 -6.983 0.577 -4.660 162 HD23 LEU 19 HD23 LEU 19 -6.787 -0.866 -5.652 163 H LEU 20 HN LEU 20 -5.217 0.235 0.263 164 HA LEU 20 HA LEU 20 -7.788 0.119 1.519 165 HB2 LEU 20 HB2 LEU 20 -4.926 0.244 2.254 166 HB3 LEU 20 HB1 LEU 20 -6.009 0.856 3.496 167 HG LEU 20 HG LEU 20 -6.424 -1.812 2.128 168 HD11 LEU 20 HD11 LEU 20 -5.412 -2.835 4.125 169 HD12 LEU 20 HD12 LEU 20 -5.046 -1.234 4.769 170 HD13 LEU 20 HD13 LEU 20 -4.248 -1.798 3.301 171 HD21 LEU 20 HD21 LEU 20 -7.707 -2.179 4.329 172 HD22 LEU 20 HD22 LEU 20 -8.434 -1.061 3.175 173 HD23 LEU 20 HD23 LEU 20 -7.563 -0.438 4.576 174 H LEU 21 HN LEU 21 -5.496 2.808 1.052 175 HA LEU 21 HA LEU 21 -6.720 4.799 2.663 176 HB2 LEU 21 HB2 LEU 21 -4.478 4.677 1.299 177 HB3 LEU 21 HB1 LEU 21 -5.437 5.362 -0.005 178 HG LEU 21 HG LEU 21 -4.212 7.070 1.350 179 HD11 LEU 21 HD11 LEU 21 -5.931 8.634 1.246 180 HD12 LEU 21 HD12 LEU 21 -7.144 7.492 1.828 181 HD13 LEU 21 HD13 LEU 21 -6.539 7.369 0.176 182 HD21 LEU 21 HD21 LEU 21 -4.698 7.470 3.617 183 HD22 LEU 21 HD22 LEU 21 -4.659 5.709 3.530 184 HD23 LEU 21 HD23 LEU 21 -6.205 6.556 3.553 185 H ALA 22 HN ALA 22 -7.220 4.031 -0.759 186 HA ALA 22 HA ALA 22 -9.796 5.576 -0.714 187 HB1 ALA 22 HB1 ALA 22 -7.749 6.213 -2.214 188 HB2 ALA 22 HB2 ALA 22 -9.343 6.150 -2.965 189 HB3 ALA 22 HB3 ALA 22 -8.217 4.810 -3.174 190 H LEU 23 HN LEU 23 -9.833 3.011 0.337 191 HA LEU 23 HA LEU 23 -10.354 0.954 -1.611 192 HB2 LEU 23 HB2 LEU 23 -10.724 -0.405 0.282 193 HB3 LEU 23 HB1 LEU 23 -9.578 0.800 0.838 194 HG LEU 23 HG LEU 23 -11.830 2.091 1.504 195 HD11 LEU 23 HD11 LEU 23 -13.689 0.831 1.428 196 HD12 LEU 23 HD12 LEU 23 -12.934 -0.370 2.475 197 HD13 LEU 23 HD13 LEU 23 -12.762 -0.494 0.726 198 HD21 LEU 23 HD21 LEU 23 -11.175 -0.106 3.396 199 HD22 LEU 23 HD22 LEU 23 -11.184 1.638 3.655 200 HD23 LEU 23 HD23 LEU 23 -9.810 0.874 2.859 201 HA PRO 24 HA PRO 24 -14.592 1.939 -2.418 202 HB2 PRO 24 HB2 PRO 24 -15.149 -0.254 -3.943 203 HB3 PRO 24 HB1 PRO 24 -14.147 1.097 -4.505 204 HG2 PRO 24 HG2 PRO 24 -13.359 -1.614 -3.772 205 HG3 PRO 24 HG1 PRO 24 -12.497 -0.407 -4.736 206 HD2 PRO 24 HD2 PRO 24 -12.072 -1.122 -1.993 207 HD3 PRO 24 HD1 PRO 24 -11.180 0.066 -2.969 208 HA PRO 25 HA PRO 25 -16.499 -0.460 0.898 209 HB2 PRO 25 HB2 PRO 25 -18.834 0.955 0.997 210 HB3 PRO 25 HB1 PRO 25 -17.323 1.526 1.733 211 HG2 PRO 25 HG2 PRO 25 -18.569 2.299 -0.853 212 HG3 PRO 25 HG1 PRO 25 -17.740 3.305 0.348 213 HD2 PRO 25 HD2 PRO 25 -16.560 2.482 -1.946 214 HD3 PRO 25 HD1 PRO 25 -15.658 2.783 -0.445 215 H ARG 26 HN ARG 26 -18.248 -1.978 1.005 216 HA ARG 26 HA ARG 26 -19.442 -2.700 -1.649 217 HB2 ARG 26 HB2 ARG 26 -18.378 -4.160 0.729 218 HB3 ARG 26 HB1 ARG 26 -19.700 -4.915 -0.155 219 HG2 ARG 26 HG2 ARG 26 -17.691 -3.850 -1.972 220 HG3 ARG 26 HG1 ARG 26 -16.988 -5.002 -0.839 221 HD2 ARG 26 HD2 ARG 26 -19.551 -5.621 -2.329 222 HD3 ARG 26 HD1 ARG 26 -17.955 -6.003 -3.004 223 HE ARG 26 HE ARG 26 -19.030 -7.126 -0.452 224 HH11 ARG 26 HH11 ARG 26 -16.094 -6.992 -0.324 225 HH12 ARG 26 HH12 ARG 26 -15.595 -8.479 -1.054 226 HH21 ARG 26 HH21 ARG 26 -18.681 -9.066 -2.567 227 HH22 ARG 26 HH22 ARG 26 -17.073 -9.665 -2.337 228 H ALA 27 HN ALA 27 -20.645 -0.678 0.173 229 HA ALA 27 HA ALA 27 -23.332 -1.894 0.439 230 HB1 ALA 27 HB1 ALA 27 -23.438 -1.136 2.832 231 HB2 ALA 27 HB2 ALA 27 -21.724 -0.735 2.738 232 HB3 ALA 27 HB3 ALA 27 -22.249 -2.410 2.559 233 H TYR 28 HN TYR 28 -22.928 -0.099 -1.449 234 HA TYR 28 HA TYR 28 -23.609 2.592 -0.330 235 HB2 TYR 28 HB2 TYR 28 -22.940 3.326 -2.718 236 HB3 TYR 28 HB1 TYR 28 -21.670 2.835 -1.614 237 HD1 TYR 28 HD2 TYR 28 -23.855 1.554 -4.381 238 HD2 TYR 28 HD1 TYR 28 -20.169 1.120 -2.215 239 HE1 TYR 28 HE2 TYR 28 -23.088 -0.137 -6.022 240 HE2 TYR 28 HE1 TYR 28 -19.405 -0.570 -3.859 241 HH TYR 28 HH TYR 28 -20.307 -0.944 -6.669 242 H ALA 29 HN ALA 29 -24.842 0.030 -2.406 243 HA ALA 29 HA ALA 29 -27.424 1.485 -2.592 244 HB1 ALA 29 HB1 ALA 29 -25.858 0.399 -4.957 245 HB2 ALA 29 HB2 ALA 29 -26.121 2.105 -4.591 246 HB3 ALA 29 HB3 ALA 29 -27.482 1.079 -5.038 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 20.239 -0.113 -10.805 2 H2 ARG 1 HT2 ARG 1 20.459 1.566 -10.940 3 H3 ARG 1 HT3 ARG 1 18.893 0.900 -10.985 4 HA ARG 1 HA ARG 1 20.723 0.814 -8.629 5 HB2 ARG 1 HB2 ARG 1 19.066 2.876 -9.737 6 HB3 ARG 1 HB1 ARG 1 18.308 2.313 -8.251 7 HG2 ARG 1 HG2 ARG 1 19.752 3.873 -7.361 8 HG3 ARG 1 HG1 ARG 1 20.809 2.463 -7.335 9 HD2 ARG 1 HD2 ARG 1 22.106 3.229 -9.102 10 HD3 ARG 1 HD1 ARG 1 20.769 4.145 -9.825 11 HE ARG 1 HE ARG 1 22.312 5.017 -7.414 12 HH11 ARG 1 HH21 ARG 1 22.674 6.614 -9.838 13 HH12 ARG 1 HH22 ARG 1 21.490 7.866 -9.683 14 HH21 ARG 1 HH11 ARG 1 19.647 6.175 -7.257 15 HH22 ARG 1 HH12 ARG 1 19.760 7.616 -8.207 16 H LEU 2 HN LEU 2 20.067 -0.688 -7.130 17 HA LEU 2 HA LEU 2 17.246 -1.637 -7.076 18 HB2 LEU 2 HB2 LEU 2 19.594 -3.069 -8.126 19 HB3 LEU 2 HB1 LEU 2 18.685 -3.992 -6.932 20 HG LEU 2 HG LEU 2 17.262 -2.575 -9.179 21 HD11 LEU 2 HD11 LEU 2 18.497 -5.345 -9.243 22 HD12 LEU 2 HD12 LEU 2 18.943 -3.978 -10.264 23 HD13 LEU 2 HD13 LEU 2 17.355 -4.725 -10.435 24 HD21 LEU 2 HD21 LEU 2 16.653 -5.052 -7.529 25 HD22 LEU 2 HD22 LEU 2 15.598 -4.353 -8.755 26 HD23 LEU 2 HD23 LEU 2 15.945 -3.457 -7.277 27 H VAL 3 HN VAL 3 16.801 -2.914 -5.101 28 HA VAL 3 HA VAL 3 18.834 -2.639 -2.925 29 HB VAL 3 HB VAL 3 16.881 -1.942 -1.441 30 HG11 VAL 3 HG11 VAL 3 16.978 0.404 -2.151 31 HG12 VAL 3 HG12 VAL 3 17.623 -0.086 -3.716 32 HG13 VAL 3 HG13 VAL 3 18.571 -0.348 -2.252 33 HG21 VAL 3 HG21 VAL 3 15.020 -2.624 -2.878 34 HG22 VAL 3 HG22 VAL 3 15.560 -1.526 -4.148 35 HG23 VAL 3 HG23 VAL 3 14.953 -0.882 -2.624 36 HA PRO 4 HA PRO 4 17.604 -6.726 -1.843 37 HB2 PRO 4 HB2 PRO 4 17.783 -6.716 0.885 38 HB3 PRO 4 HB1 PRO 4 19.203 -6.686 -0.179 39 HG2 PRO 4 HG2 PRO 4 17.906 -4.457 1.294 40 HG3 PRO 4 HG1 PRO 4 19.625 -4.776 1.008 41 HD2 PRO 4 HD2 PRO 4 18.185 -2.939 -0.389 42 HD3 PRO 4 HD1 PRO 4 19.608 -3.780 -1.042 43 H GLY 5 HN GLY 5 16.086 -7.829 0.089 44 HA2 GLY 5 HA2 GLY 5 13.395 -7.148 -0.529 45 HA3 GLY 5 HA1 GLY 5 13.893 -8.192 0.796 46 H ALA 6 HN ALA 6 15.539 -5.698 1.779 47 HA ALA 6 HA ALA 6 13.925 -4.821 3.875 48 HB1 ALA 6 HB1 ALA 6 16.108 -3.397 2.339 49 HB2 ALA 6 HB2 ALA 6 16.317 -4.443 3.743 50 HB3 ALA 6 HB3 ALA 6 15.515 -2.883 3.918 51 H ALA 7 HN ALA 7 14.286 -3.261 0.695 52 HA ALA 7 HA ALA 7 12.174 -1.292 1.363 53 HB1 ALA 7 HB1 ALA 7 13.444 -1.483 -1.331 54 HB2 ALA 7 HB2 ALA 7 14.471 -1.034 0.032 55 HB3 ALA 7 HB3 ALA 7 13.060 -0.055 -0.370 56 H TYR 8 HN TYR 8 12.025 -4.429 0.315 57 HA TYR 8 HA TYR 8 10.007 -4.022 -1.797 58 HB2 TYR 8 HB2 TYR 8 11.488 -6.330 -0.564 59 HB3 TYR 8 HB1 TYR 8 10.005 -6.659 -1.455 60 HD1 TYR 8 HD1 TYR 8 13.080 -4.521 -1.849 61 HD2 TYR 8 HD2 TYR 8 10.243 -7.154 -3.713 62 HE1 TYR 8 HE1 TYR 8 14.312 -4.333 -3.989 63 HE2 TYR 8 HE2 TYR 8 11.477 -6.965 -5.852 64 HH TYR 8 HH TYR 8 13.145 -4.974 -6.840 65 H ALA 9 HN ALA 9 10.214 -5.157 1.548 66 HA ALA 9 HA ALA 9 7.335 -5.633 1.768 67 HB1 ALA 9 HB1 ALA 9 9.292 -5.340 4.047 68 HB2 ALA 9 HB2 ALA 9 9.302 -6.774 3.021 69 HB3 ALA 9 HB3 ALA 9 7.863 -6.371 3.957 70 H LEU 10 HN LEU 10 9.269 -2.837 1.817 71 HA LEU 10 HA LEU 10 7.328 -1.314 3.513 72 HB2 LEU 10 HB2 LEU 10 10.035 -1.472 3.689 73 HB3 LEU 10 HB1 LEU 10 9.896 -0.136 2.556 74 HG LEU 10 HG LEU 10 8.588 -0.282 5.290 75 HD11 LEU 10 HD11 LEU 10 11.093 0.122 5.165 76 HD12 LEU 10 HD12 LEU 10 10.166 1.409 5.935 77 HD13 LEU 10 HD13 LEU 10 10.731 1.601 4.276 78 HD21 LEU 10 HD21 LEU 10 7.159 0.978 3.774 79 HD22 LEU 10 HD22 LEU 10 8.546 1.854 3.128 80 HD23 LEU 10 HD23 LEU 10 8.025 2.132 4.790 81 H TYR 11 HN TYR 11 9.408 -0.760 0.643 82 HA TYR 11 HA TYR 11 7.637 1.276 -0.451 83 HB2 TYR 11 HB2 TYR 11 10.292 0.209 -0.869 84 HB3 TYR 11 HB1 TYR 11 9.461 0.390 -2.410 85 HD1 TYR 11 HD1 TYR 11 8.533 2.628 -3.072 86 HD2 TYR 11 HD2 TYR 11 10.965 2.102 0.431 87 HE1 TYR 11 HE1 TYR 11 8.929 5.074 -2.975 88 HE2 TYR 11 HE2 TYR 11 11.361 4.545 0.526 89 HH TYR 11 HH TYR 11 9.654 6.732 -0.702 90 H GLY 12 HN GLY 12 8.013 -2.179 -0.904 91 HA2 GLY 12 HA2 GLY 12 6.606 -2.334 -3.433 92 HA3 GLY 12 HA1 GLY 12 6.958 -3.690 -2.366 93 H VAL 13 HN VAL 13 5.579 -2.259 -0.061 94 HA VAL 13 HA VAL 13 2.836 -3.126 -0.768 95 HB VAL 13 HB VAL 13 2.463 -3.017 1.664 96 HG11 VAL 13 HG11 VAL 13 5.085 -4.374 0.977 97 HG12 VAL 13 HG12 VAL 13 3.485 -5.038 0.643 98 HG13 VAL 13 HG13 VAL 13 4.006 -4.791 2.309 99 HG21 VAL 13 HG21 VAL 13 5.376 -2.264 1.979 100 HG22 VAL 13 HG22 VAL 13 4.112 -2.285 3.208 101 HG23 VAL 13 HG23 VAL 13 4.105 -1.042 1.958 102 H TRP 14 HN TRP 14 4.335 -0.247 -1.174 103 HA TRP 14 HA TRP 14 2.737 1.711 0.116 104 HB2 TRP 14 HB2 TRP 14 4.873 2.102 -1.066 105 HB3 TRP 14 HB1 TRP 14 4.094 1.763 -2.594 106 HD1 TRP 14 HD1 TRP 14 4.417 4.120 -3.616 107 HE1 TRP 14 HE1 TRP 14 3.382 6.427 -3.135 108 HE3 TRP 14 HE3 TRP 14 2.203 3.187 0.902 109 HZ2 TRP 14 HZ2 TRP 14 1.824 7.711 -1.112 110 HZ3 TRP 14 HZ3 TRP 14 0.954 4.966 2.072 111 HH2 TRP 14 HH2 TRP 14 0.759 7.228 1.076 112 HA PRO 15 HA PRO 15 -0.139 1.708 -3.746 113 HB2 PRO 15 HB2 PRO 15 -0.037 -0.442 -5.434 114 HB3 PRO 15 HB1 PRO 15 0.938 1.025 -5.662 115 HG2 PRO 15 HG2 PRO 15 1.725 -1.603 -4.516 116 HG3 PRO 15 HG1 PRO 15 2.634 -0.513 -5.576 117 HD2 PRO 15 HD2 PRO 15 3.067 -0.695 -2.911 118 HD3 PRO 15 HD1 PRO 15 3.366 0.790 -3.836 119 H LEU 16 HN LEU 16 0.601 -1.364 -2.119 120 HA LEU 16 HA LEU 16 -2.039 -2.501 -2.317 121 HB2 LEU 16 HB2 LEU 16 0.509 -3.090 -1.078 122 HB3 LEU 16 HB1 LEU 16 -0.785 -3.356 0.085 123 HG LEU 16 HG LEU 16 -0.316 -5.403 -1.197 124 HD11 LEU 16 HD11 LEU 16 -2.607 -5.882 -1.938 125 HD12 LEU 16 HD12 LEU 16 -2.979 -4.158 -1.944 126 HD13 LEU 16 HD13 LEU 16 -2.621 -4.977 -0.424 127 HD21 LEU 16 HD21 LEU 16 -1.100 -5.318 -3.675 128 HD22 LEU 16 HD22 LEU 16 0.497 -4.679 -3.291 129 HD23 LEU 16 HD23 LEU 16 -0.857 -3.577 -3.540 130 H LEU 17 HN LEU 17 -0.483 -0.392 0.056 131 HA LEU 17 HA LEU 17 -2.714 -0.283 1.902 132 HB2 LEU 17 HB2 LEU 17 -0.120 1.077 1.441 133 HB3 LEU 17 HB1 LEU 17 -1.340 2.091 2.209 134 HG LEU 17 HG LEU 17 -1.728 0.097 3.804 135 HD11 LEU 17 HD11 LEU 17 -0.459 -1.547 2.446 136 HD12 LEU 17 HD12 LEU 17 0.203 -1.400 4.073 137 HD13 LEU 17 HD13 LEU 17 1.015 -0.618 2.716 138 HD21 LEU 17 HD21 LEU 17 -0.595 2.228 4.424 139 HD22 LEU 17 HD22 LEU 17 0.939 1.551 3.875 140 HD23 LEU 17 HD23 LEU 17 0.106 0.842 5.258 141 H LEU 18 HN LEU 18 -1.689 1.591 -0.891 142 HA LEU 18 HA LEU 18 -3.711 3.644 -0.812 143 HB2 LEU 18 HB2 LEU 18 -1.622 2.596 -2.602 144 HB3 LEU 18 HB1 LEU 18 -3.018 3.196 -3.489 145 HG LEU 18 HG LEU 18 -2.870 5.299 -2.053 146 HD11 LEU 18 HD11 LEU 18 -1.022 5.695 -0.702 147 HD12 LEU 18 HD12 LEU 18 -0.014 4.529 -1.558 148 HD13 LEU 18 HD13 LEU 18 -1.254 3.967 -0.437 149 HD21 LEU 18 HD21 LEU 18 -2.107 5.328 -4.360 150 HD22 LEU 18 HD22 LEU 18 -0.587 4.556 -3.908 151 HD23 LEU 18 HD23 LEU 18 -0.933 6.201 -3.378 152 H LEU 19 HN LEU 19 -3.495 0.400 -2.248 153 HA LEU 19 HA LEU 19 -5.993 0.358 -3.657 154 HB2 LEU 19 HB2 LEU 19 -3.789 -1.334 -3.139 155 HB3 LEU 19 HB1 LEU 19 -5.189 -2.198 -2.520 156 HG LEU 19 HG LEU 19 -5.406 -0.914 -5.214 157 HD11 LEU 19 HD11 LEU 19 -4.397 -2.860 -6.289 158 HD12 LEU 19 HD12 LEU 19 -4.050 -3.583 -4.718 159 HD13 LEU 19 HD13 LEU 19 -3.217 -2.109 -5.215 160 HD21 LEU 19 HD21 LEU 19 -6.965 -2.691 -5.591 161 HD22 LEU 19 HD22 LEU 19 -7.275 -2.130 -3.948 162 HD23 LEU 19 HD23 LEU 19 -6.357 -3.613 -4.216 163 H LEU 20 HN LEU 20 -5.052 -0.508 -0.358 164 HA LEU 20 HA LEU 20 -7.635 -1.474 0.522 165 HB2 LEU 20 HB2 LEU 20 -5.044 -1.379 1.483 166 HB3 LEU 20 HB1 LEU 20 -5.853 -0.210 2.513 167 HG LEU 20 HG LEU 20 -5.939 -2.440 3.525 168 HD11 LEU 20 HD11 LEU 20 -8.266 -2.504 4.032 169 HD12 LEU 20 HD12 LEU 20 -8.701 -1.809 2.470 170 HD13 LEU 20 HD13 LEU 20 -7.902 -0.814 3.687 171 HD21 LEU 20 HD21 LEU 20 -7.618 -3.337 1.172 172 HD22 LEU 20 HD22 LEU 20 -6.927 -4.326 2.457 173 HD23 LEU 20 HD23 LEU 20 -5.876 -3.611 1.236 174 H LEU 21 HN LEU 21 -5.955 1.667 0.833 175 HA LEU 21 HA LEU 21 -8.025 3.070 2.225 176 HB2 LEU 21 HB2 LEU 21 -5.445 3.560 1.305 177 HB3 LEU 21 HB1 LEU 21 -6.426 4.670 0.357 178 HG LEU 21 HG LEU 21 -5.657 5.742 2.424 179 HD11 LEU 21 HD11 LEU 21 -7.785 6.559 3.239 180 HD12 LEU 21 HD12 LEU 21 -8.617 5.131 2.626 181 HD13 LEU 21 HD13 LEU 21 -7.919 6.295 1.501 182 HD21 LEU 21 HD21 LEU 21 -6.315 4.922 4.615 183 HD22 LEU 21 HD22 LEU 21 -5.482 3.625 3.758 184 HD23 LEU 21 HD23 LEU 21 -7.240 3.609 3.889 185 H ALA 22 HN ALA 22 -7.554 2.364 -1.179 186 HA ALA 22 HA ALA 22 -9.859 4.079 -1.968 187 HB1 ALA 22 HB1 ALA 22 -7.690 4.160 -3.193 188 HB2 ALA 22 HB2 ALA 22 -9.020 3.650 -4.231 189 HB3 ALA 22 HB3 ALA 22 -7.883 2.456 -3.605 190 H LEU 23 HN LEU 23 -10.359 1.651 -0.378 191 HA LEU 23 HA LEU 23 -12.022 0.124 -2.345 192 HB2 LEU 23 HB2 LEU 23 -9.733 -0.803 -1.470 193 HB3 LEU 23 HB1 LEU 23 -10.690 -1.208 -0.052 194 HG LEU 23 HG LEU 23 -12.132 -1.956 -2.433 195 HD11 LEU 23 HD11 LEU 23 -10.262 -2.373 -3.722 196 HD12 LEU 23 HD12 LEU 23 -10.359 -3.904 -2.851 197 HD13 LEU 23 HD13 LEU 23 -9.227 -2.658 -2.322 198 HD21 LEU 23 HD21 LEU 23 -12.482 -2.886 -0.173 199 HD22 LEU 23 HD22 LEU 23 -10.860 -3.581 -0.203 200 HD23 LEU 23 HD23 LEU 23 -12.092 -4.168 -1.320 201 HA PRO 24 HA PRO 24 -14.471 1.598 1.322 202 HB2 PRO 24 HB2 PRO 24 -16.342 2.910 -0.173 203 HB3 PRO 24 HB1 PRO 24 -14.820 3.657 0.351 204 HG2 PRO 24 HG2 PRO 24 -15.576 2.582 -2.303 205 HG3 PRO 24 HG1 PRO 24 -14.532 3.951 -1.890 206 HD2 PRO 24 HD2 PRO 24 -13.617 1.439 -2.652 207 HD3 PRO 24 HD1 PRO 24 -12.669 2.636 -1.761 208 HA PRO 25 HA PRO 25 -17.082 -1.978 0.465 209 HB2 PRO 25 HB2 PRO 25 -18.240 -2.147 2.929 210 HB3 PRO 25 HB1 PRO 25 -16.602 -2.732 2.581 211 HG2 PRO 25 HG2 PRO 25 -17.463 -0.218 3.903 212 HG3 PRO 25 HG1 PRO 25 -16.080 -1.267 4.255 213 HD2 PRO 25 HD2 PRO 25 -15.888 1.087 2.890 214 HD3 PRO 25 HD1 PRO 25 -14.754 -0.269 2.694 215 H ARG 26 HN ARG 26 -18.418 0.842 2.178 216 HA ARG 26 HA ARG 26 -21.118 0.334 1.072 217 HB2 ARG 26 HB2 ARG 26 -19.940 1.681 3.343 218 HB3 ARG 26 HB1 ARG 26 -20.993 2.797 2.475 219 HG2 ARG 26 HG2 ARG 26 -22.162 0.121 2.747 220 HG3 ARG 26 HG1 ARG 26 -21.830 0.885 4.301 221 HD2 ARG 26 HD2 ARG 26 -23.559 2.324 4.047 222 HD3 ARG 26 HD1 ARG 26 -23.013 2.787 2.424 223 HE ARG 26 HE ARG 26 -24.573 0.275 2.930 224 HH11 ARG 26 HH11 ARG 26 -23.258 0.762 0.238 225 HH12 ARG 26 HH12 ARG 26 -24.566 1.438 -0.671 226 HH21 ARG 26 HH21 ARG 26 -26.488 2.157 2.146 227 HH22 ARG 26 HH22 ARG 26 -26.412 2.234 0.419 228 H ALA 27 HN ALA 27 -18.515 2.769 0.828 229 HA ALA 27 HA ALA 27 -18.058 4.421 -0.754 230 HB1 ALA 27 HB1 ALA 27 -18.386 3.750 -2.972 231 HB2 ALA 27 HB2 ALA 27 -19.939 2.996 -2.619 232 HB3 ALA 27 HB3 ALA 27 -18.444 2.215 -2.105 233 H TYR 28 HN TYR 28 -19.271 5.923 0.595 234 HA TYR 28 HA TYR 28 -22.022 6.605 -0.299 235 HB2 TYR 28 HB2 TYR 28 -22.132 7.890 1.738 236 HB3 TYR 28 HB1 TYR 28 -21.397 6.341 2.123 237 HD1 TYR 28 HD2 TYR 28 -20.794 9.959 1.676 238 HD2 TYR 28 HD1 TYR 28 -19.050 6.191 2.785 239 HE1 TYR 28 HE2 TYR 28 -18.829 11.142 2.613 240 HE2 TYR 28 HE1 TYR 28 -17.087 7.376 3.722 241 HH TYR 28 HH TYR 28 -15.989 9.849 3.169 242 H ALA 29 HN ALA 29 -18.733 7.842 -0.536 243 HA ALA 29 HA ALA 29 -19.772 10.201 -2.072 244 HB1 ALA 29 HB1 ALA 29 -17.627 9.940 0.031 245 HB2 ALA 29 HB2 ALA 29 -18.958 11.095 -0.047 246 HB3 ALA 29 HB3 ALA 29 -17.582 11.259 -1.139 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 15.479 -1.020 -7.447 2 H2 ARG 1 HT2 ARG 1 13.970 -1.656 -6.994 3 H3 ARG 1 HT3 ARG 1 14.882 -2.405 -8.215 4 HA ARG 1 HA ARG 1 16.589 -3.043 -6.627 5 HB2 ARG 1 HB2 ARG 1 14.974 -1.122 -5.043 6 HB3 ARG 1 HB1 ARG 1 15.580 -2.516 -4.152 7 HG2 ARG 1 HG2 ARG 1 17.728 -1.803 -4.249 8 HG3 ARG 1 HG1 ARG 1 17.585 -1.293 -5.931 9 HD2 ARG 1 HD2 ARG 1 16.870 0.847 -5.368 10 HD3 ARG 1 HD1 ARG 1 16.167 0.319 -3.827 11 HE ARG 1 HE ARG 1 18.401 0.224 -2.872 12 HH11 ARG 1 HH11 ARG 1 18.385 2.960 -4.127 13 HH12 ARG 1 HH12 ARG 1 19.887 2.972 -4.984 14 HH21 ARG 1 HH21 ARG 1 20.288 -0.487 -4.843 15 HH22 ARG 1 HH22 ARG 1 20.977 1.003 -5.393 16 H LEU 2 HN LEU 2 16.327 -4.978 -5.241 17 HA LEU 2 HA LEU 2 13.567 -6.082 -5.046 18 HB2 LEU 2 HB2 LEU 2 15.270 -6.655 -7.152 19 HB3 LEU 2 HB1 LEU 2 15.569 -7.994 -6.046 20 HG LEU 2 HG LEU 2 12.754 -7.139 -6.707 21 HD11 LEU 2 HD11 LEU 2 14.476 -9.110 -8.239 22 HD12 LEU 2 HD12 LEU 2 13.869 -7.573 -8.852 23 HD13 LEU 2 HD13 LEU 2 12.744 -8.876 -8.471 24 HD21 LEU 2 HD21 LEU 2 13.113 -8.671 -4.802 25 HD22 LEU 2 HD22 LEU 2 14.022 -9.764 -5.845 26 HD23 LEU 2 HD23 LEU 2 12.299 -9.508 -6.123 27 H VAL 3 HN VAL 3 13.680 -6.068 -2.776 28 HA VAL 3 HA VAL 3 15.609 -7.992 -1.553 29 HB VAL 3 HB VAL 3 14.837 -5.328 -0.344 30 HG11 VAL 3 HG11 VAL 3 17.067 -7.272 0.309 31 HG12 VAL 3 HG12 VAL 3 15.562 -7.115 1.216 32 HG13 VAL 3 HG13 VAL 3 16.707 -5.776 1.171 33 HG21 VAL 3 HG21 VAL 3 17.229 -4.673 -0.916 34 HG22 VAL 3 HG22 VAL 3 16.146 -4.785 -2.303 35 HG23 VAL 3 HG23 VAL 3 17.284 -6.089 -1.966 36 HA PRO 4 HA PRO 4 11.733 -9.307 0.180 37 HB2 PRO 4 HB2 PRO 4 12.707 -11.378 1.665 38 HB3 PRO 4 HB1 PRO 4 12.523 -11.443 -0.097 39 HG2 PRO 4 HG2 PRO 4 14.957 -11.172 1.520 40 HG3 PRO 4 HG1 PRO 4 14.742 -11.829 -0.108 41 HD2 PRO 4 HD2 PRO 4 15.746 -9.285 0.578 42 HD3 PRO 4 HD1 PRO 4 15.329 -9.860 -1.046 43 H GLY 5 HN GLY 5 10.679 -8.364 1.856 44 HA2 GLY 5 HA2 GLY 5 10.207 -7.929 4.163 45 HA3 GLY 5 HA1 GLY 5 11.902 -8.232 4.545 46 H ALA 6 HN ALA 6 13.270 -6.545 2.933 47 HA ALA 6 HA ALA 6 12.770 -3.932 4.133 48 HB1 ALA 6 HB1 ALA 6 14.795 -3.423 2.546 49 HB2 ALA 6 HB2 ALA 6 14.812 -5.170 2.309 50 HB3 ALA 6 HB3 ALA 6 15.033 -4.498 3.924 51 H ALA 7 HN ALA 7 13.090 -4.939 0.731 52 HA ALA 7 HA ALA 7 11.860 -2.518 -0.296 53 HB1 ALA 7 HB1 ALA 7 12.069 -5.078 -1.842 54 HB2 ALA 7 HB2 ALA 7 13.545 -4.248 -1.347 55 HB3 ALA 7 HB3 ALA 7 12.378 -3.428 -2.383 56 H TYR 8 HN TYR 8 10.655 -5.717 0.533 57 HA TYR 8 HA TYR 8 8.109 -5.526 -0.812 58 HB2 TYR 8 HB2 TYR 8 9.274 -7.151 1.438 59 HB3 TYR 8 HB1 TYR 8 7.557 -7.268 1.089 60 HD1 TYR 8 HD1 TYR 8 10.432 -6.833 -1.303 61 HD2 TYR 8 HD2 TYR 8 7.277 -9.385 0.117 62 HE1 TYR 8 HE1 TYR 8 10.893 -8.423 -3.138 63 HE2 TYR 8 HE2 TYR 8 7.743 -10.974 -1.725 64 HH TYR 8 HH TYR 8 10.079 -11.439 -3.211 65 H ALA 9 HN ALA 9 9.286 -4.458 2.330 66 HA ALA 9 HA ALA 9 6.661 -3.692 3.347 67 HB1 ALA 9 HB1 ALA 9 8.484 -4.363 4.835 68 HB2 ALA 9 HB2 ALA 9 8.045 -2.689 5.170 69 HB3 ALA 9 HB3 ALA 9 9.491 -3.050 4.227 70 H LEU 10 HN LEU 10 8.686 -2.312 1.020 71 HA LEU 10 HA LEU 10 7.628 0.448 1.519 72 HB2 LEU 10 HB2 LEU 10 10.222 -0.351 1.397 73 HB3 LEU 10 HB1 LEU 10 9.927 -0.088 -0.314 74 HG LEU 10 HG LEU 10 10.817 1.948 0.725 75 HD11 LEU 10 HD11 LEU 10 9.203 3.506 -0.121 76 HD12 LEU 10 HD12 LEU 10 7.880 2.363 0.117 77 HD13 LEU 10 HD13 LEU 10 9.093 2.061 -1.127 78 HD21 LEU 10 HD21 LEU 10 9.654 3.116 2.480 79 HD22 LEU 10 HD22 LEU 10 9.846 1.446 3.012 80 HD23 LEU 10 HD23 LEU 10 8.289 2.003 2.398 81 H TYR 11 HN TYR 11 8.768 -1.634 -1.156 82 HA TYR 11 HA TYR 11 7.063 -0.354 -3.141 83 HB2 TYR 11 HB2 TYR 11 9.149 -2.443 -2.980 84 HB3 TYR 11 HB1 TYR 11 7.988 -2.652 -4.285 85 HD1 TYR 11 HD2 TYR 11 10.604 -0.476 -2.874 86 HD2 TYR 11 HD1 TYR 11 7.817 -1.013 -6.100 87 HE1 TYR 11 HE2 TYR 11 11.762 1.292 -4.165 88 HE2 TYR 11 HE1 TYR 11 8.976 0.757 -7.392 89 HH TYR 11 HH TYR 11 10.628 2.953 -6.430 90 H GLY 12 HN GLY 12 6.776 -3.153 -1.058 91 HA2 GLY 12 HA2 GLY 12 4.503 -4.275 -2.557 92 HA3 GLY 12 HA1 GLY 12 5.187 -4.928 -1.069 93 H VAL 13 HN VAL 13 5.096 -2.348 0.349 94 HA VAL 13 HA VAL 13 2.344 -2.487 1.305 95 HB VAL 13 HB VAL 13 4.791 -0.848 1.997 96 HG11 VAL 13 HG11 VAL 13 3.346 -0.445 4.162 97 HG12 VAL 13 HG12 VAL 13 1.988 -0.698 3.065 98 HG13 VAL 13 HG13 VAL 13 3.138 0.604 2.760 99 HG21 VAL 13 HG21 VAL 13 3.328 -3.033 3.511 100 HG22 VAL 13 HG22 VAL 13 4.860 -2.285 3.962 101 HG23 VAL 13 HG23 VAL 13 4.764 -3.301 2.523 102 H TRP 14 HN TRP 14 4.152 -0.374 -0.833 103 HA TRP 14 HA TRP 14 2.601 1.976 -0.780 104 HB2 TRP 14 HB2 TRP 14 4.738 1.631 -1.995 105 HB3 TRP 14 HB1 TRP 14 3.897 0.652 -3.177 106 HD1 TRP 14 HD1 TRP 14 3.971 2.130 -5.255 107 HE1 TRP 14 HE1 TRP 14 3.111 4.482 -5.850 108 HE3 TRP 14 HE3 TRP 14 2.567 3.774 -0.617 109 HZ2 TRP 14 HZ2 TRP 14 1.978 6.757 -4.544 110 HZ3 TRP 14 HZ3 TRP 14 1.603 6.030 -0.329 111 HH2 TRP 14 HH2 TRP 14 1.306 7.526 -2.283 112 HA PRO 15 HA PRO 15 -0.319 0.205 -4.168 113 HB2 PRO 15 HB2 PRO 15 -0.349 -2.507 -4.563 114 HB3 PRO 15 HB1 PRO 15 0.680 -1.395 -5.492 115 HG2 PRO 15 HG2 PRO 15 1.386 -3.113 -3.165 116 HG3 PRO 15 HG1 PRO 15 2.305 -2.779 -4.643 117 HD2 PRO 15 HD2 PRO 15 2.853 -1.574 -2.298 118 HD3 PRO 15 HD1 PRO 15 3.108 -0.763 -3.856 119 H LEU 16 HN LEU 16 0.307 -1.853 -1.316 120 HA LEU 16 HA LEU 16 -2.469 -2.583 -0.887 121 HB2 LEU 16 HB2 LEU 16 0.139 -2.742 0.552 122 HB3 LEU 16 HB1 LEU 16 -1.292 -2.747 1.576 123 HG LEU 16 HG LEU 16 -0.637 -5.038 1.020 124 HD11 LEU 16 HD11 LEU 16 -2.765 -5.831 0.515 125 HD12 LEU 16 HD12 LEU 16 -3.073 -4.559 -0.666 126 HD13 LEU 16 HD13 LEU 16 -3.124 -4.191 1.058 127 HD21 LEU 16 HD21 LEU 16 0.487 -4.541 -1.131 128 HD22 LEU 16 HD22 LEU 16 -1.080 -4.205 -1.867 129 HD23 LEU 16 HD23 LEU 16 -0.698 -5.833 -1.310 130 H LEU 17 HN LEU 17 -0.332 -0.073 0.388 131 HA LEU 17 HA LEU 17 -2.299 1.233 2.053 132 HB2 LEU 17 HB2 LEU 17 0.183 1.480 2.256 133 HB3 LEU 17 HB1 LEU 17 0.204 2.309 0.701 134 HG LEU 17 HG LEU 17 -1.677 3.397 2.734 135 HD11 LEU 17 HD11 LEU 17 0.432 2.828 4.010 136 HD12 LEU 17 HD12 LEU 17 0.031 4.546 3.985 137 HD13 LEU 17 HD13 LEU 17 1.300 3.921 2.932 138 HD21 LEU 17 HD21 LEU 17 -0.361 5.505 1.768 139 HD22 LEU 17 HD22 LEU 17 -1.619 4.712 0.821 140 HD23 LEU 17 HD23 LEU 17 0.078 4.359 0.501 141 H LEU 18 HN LEU 18 -1.242 1.573 -1.297 142 HA LEU 18 HA LEU 18 -2.706 3.910 -2.051 143 HB2 LEU 18 HB2 LEU 18 -1.547 1.487 -3.379 144 HB3 LEU 18 HB1 LEU 18 -2.673 2.450 -4.322 145 HG LEU 18 HG LEU 18 -0.241 3.586 -2.910 146 HD11 LEU 18 HD11 LEU 18 0.585 3.790 -5.339 147 HD12 LEU 18 HD12 LEU 18 -0.660 2.608 -5.740 148 HD13 LEU 18 HD13 LEU 18 0.631 2.183 -4.615 149 HD21 LEU 18 HD21 LEU 18 -0.682 5.573 -4.222 150 HD22 LEU 18 HD22 LEU 18 -2.178 5.138 -3.398 151 HD23 LEU 18 HD23 LEU 18 -1.971 4.762 -5.110 152 H LEU 19 HN LEU 19 -3.575 0.433 -2.041 153 HA LEU 19 HA LEU 19 -6.275 0.765 -3.020 154 HB2 LEU 19 HB2 LEU 19 -4.637 -1.314 -2.722 155 HB3 LEU 19 HB1 LEU 19 -5.451 -1.452 -1.172 156 HG LEU 19 HG LEU 19 -7.076 -1.131 -3.687 157 HD11 LEU 19 HD11 LEU 19 -7.166 -3.563 -3.929 158 HD12 LEU 19 HD12 LEU 19 -6.054 -3.762 -2.574 159 HD13 LEU 19 HD13 LEU 19 -5.496 -3.013 -4.071 160 HD21 LEU 19 HD21 LEU 19 -8.404 -0.980 -1.740 161 HD22 LEU 19 HD22 LEU 19 -7.472 -2.217 -0.897 162 HD23 LEU 19 HD23 LEU 19 -8.565 -2.673 -2.205 163 H LEU 20 HN LEU 20 -4.827 0.444 0.175 164 HA LEU 20 HA LEU 20 -7.186 0.566 1.793 165 HB2 LEU 20 HB2 LEU 20 -4.256 0.879 2.074 166 HB3 LEU 20 HB1 LEU 20 -5.199 1.690 3.318 167 HG LEU 20 HG LEU 20 -5.707 -1.187 2.540 168 HD11 LEU 20 HD11 LEU 20 -3.986 -0.206 4.836 169 HD12 LEU 20 HD12 LEU 20 -3.338 -0.841 3.323 170 HD13 LEU 20 HD13 LEU 20 -4.295 -1.882 4.378 171 HD21 LEU 20 HD21 LEU 20 -7.509 -0.084 3.772 172 HD22 LEU 20 HD22 LEU 20 -6.363 0.503 4.979 173 HD23 LEU 20 HD23 LEU 20 -6.695 -1.224 4.843 174 H LEU 21 HN LEU 21 -5.099 3.145 0.482 175 HA LEU 21 HA LEU 21 -6.195 5.380 1.858 176 HB2 LEU 21 HB2 LEU 21 -4.112 5.115 0.341 177 HB3 LEU 21 HB1 LEU 21 -5.214 5.377 -1.002 178 HG LEU 21 HG LEU 21 -3.991 7.433 -0.174 179 HD11 LEU 21 HD11 LEU 21 -6.327 7.303 -1.361 180 HD12 LEU 21 HD12 LEU 21 -5.775 8.833 -0.680 181 HD13 LEU 21 HD13 LEU 21 -6.939 7.846 0.201 182 HD21 LEU 21 HD21 LEU 21 -4.286 6.767 2.283 183 HD22 LEU 21 HD22 LEU 21 -5.950 7.330 2.131 184 HD23 LEU 21 HD23 LEU 21 -4.614 8.455 1.892 185 H ALA 22 HN ALA 22 -7.029 4.057 -1.329 186 HA ALA 22 HA ALA 22 -9.652 5.516 -1.230 187 HB1 ALA 22 HB1 ALA 22 -8.426 4.291 -3.695 188 HB2 ALA 22 HB2 ALA 22 -7.781 5.809 -3.072 189 HB3 ALA 22 HB3 ALA 22 -9.472 5.705 -3.564 190 H LEU 23 HN LEU 23 -9.504 3.222 0.295 191 HA LEU 23 HA LEU 23 -10.136 0.792 -1.082 192 HB2 LEU 23 HB2 LEU 23 -10.187 -0.110 1.044 193 HB3 LEU 23 HB1 LEU 23 -9.250 1.343 1.338 194 HG LEU 23 HG LEU 23 -12.255 1.273 1.715 195 HD11 LEU 23 HD11 LEU 23 -11.120 -0.477 3.113 196 HD12 LEU 23 HD12 LEU 23 -11.902 0.792 4.057 197 HD13 LEU 23 HD13 LEU 23 -10.151 0.805 3.844 198 HD21 LEU 23 HD21 LEU 23 -9.990 3.112 2.483 199 HD22 LEU 23 HD22 LEU 23 -11.476 3.097 3.429 200 HD23 LEU 23 HD23 LEU 23 -11.527 3.512 1.717 201 HA PRO 24 HA PRO 24 -14.432 1.520 -1.829 202 HB2 PRO 24 HB2 PRO 24 -15.015 -0.963 -2.797 203 HB3 PRO 24 HB1 PRO 24 -14.088 0.242 -3.709 204 HG2 PRO 24 HG2 PRO 24 -13.179 -2.219 -2.424 205 HG3 PRO 24 HG1 PRO 24 -12.430 -1.273 -3.717 206 HD2 PRO 24 HD2 PRO 24 -11.745 -1.314 -0.947 207 HD3 PRO 24 HD1 PRO 24 -11.011 -0.337 -2.236 208 HA PRO 25 HA PRO 25 -16.636 -0.142 1.644 209 HB2 PRO 25 HB2 PRO 25 -19.203 -0.121 0.720 210 HB3 PRO 25 HB1 PRO 25 -18.315 1.356 1.142 211 HG2 PRO 25 HG2 PRO 25 -18.883 0.196 -1.526 212 HG3 PRO 25 HG1 PRO 25 -18.809 1.891 -1.018 213 HD2 PRO 25 HD2 PRO 25 -16.816 0.597 -2.378 214 HD3 PRO 25 HD1 PRO 25 -16.572 2.029 -1.353 215 H ARG 26 HN ARG 26 -18.538 -1.899 2.044 216 HA ARG 26 HA ARG 26 -17.546 -4.439 1.019 217 HB2 ARG 26 HB2 ARG 26 -18.479 -3.935 3.329 218 HB3 ARG 26 HB1 ARG 26 -20.077 -3.860 2.593 219 HG2 ARG 26 HG2 ARG 26 -19.444 -6.214 1.616 220 HG3 ARG 26 HG1 ARG 26 -18.255 -6.231 2.919 221 HD2 ARG 26 HD2 ARG 26 -21.053 -5.447 3.641 222 HD3 ARG 26 HD1 ARG 26 -20.738 -7.160 3.306 223 HE ARG 26 HE ARG 26 -19.114 -5.605 5.289 224 HH11 ARG 26 HH21 ARG 26 -21.381 -7.050 6.487 225 HH12 ARG 26 HH22 ARG 26 -20.710 -8.600 6.866 226 HH21 ARG 26 HH11 ARG 26 -17.952 -8.198 4.771 227 HH22 ARG 26 HH12 ARG 26 -18.748 -9.256 5.884 228 H ALA 27 HN ALA 27 -20.896 -3.104 0.902 229 HA ALA 27 HA ALA 27 -21.131 -3.606 -1.979 230 HB1 ALA 27 HB1 ALA 27 -22.722 -5.430 -1.781 231 HB2 ALA 27 HB2 ALA 27 -22.700 -5.312 -0.022 232 HB3 ALA 27 HB3 ALA 27 -21.265 -5.864 -0.886 233 H TYR 28 HN TYR 28 -21.579 -1.228 -0.453 234 HA TYR 28 HA TYR 28 -24.395 -0.702 -1.138 235 HB2 TYR 28 HB2 TYR 28 -23.862 -1.678 1.363 236 HB3 TYR 28 HB1 TYR 28 -23.779 0.059 1.650 237 HD1 TYR 28 HD1 TYR 28 -25.934 -2.723 0.538 238 HD2 TYR 28 HD2 TYR 28 -25.733 1.482 1.392 239 HE1 TYR 28 HE1 TYR 28 -28.409 -2.596 0.494 240 HE2 TYR 28 HE2 TYR 28 -28.207 1.608 1.348 241 HH TYR 28 HH TYR 28 -30.168 -0.578 1.782 242 H ALA 29 HN ALA 29 -21.919 0.832 0.996 243 HA ALA 29 HA ALA 29 -21.468 3.026 -0.900 244 HB1 ALA 29 HB1 ALA 29 -23.105 3.395 1.623 245 HB2 ALA 29 HB2 ALA 29 -23.639 3.661 -0.036 246 HB3 ALA 29 HB3 ALA 29 -22.436 4.729 0.685 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 24.407 -4.350 -7.612 2 H2 ARG 1 HT2 ARG 1 23.964 -3.230 -6.412 3 H3 ARG 1 HT3 ARG 1 23.569 -2.942 -8.038 4 HA ARG 1 HA ARG 1 22.074 -4.863 -8.043 5 HB2 ARG 1 HB2 ARG 1 23.701 -5.574 -5.910 6 HB3 ARG 1 HB1 ARG 1 22.186 -5.148 -5.118 7 HG2 ARG 1 HG2 ARG 1 21.956 -7.447 -5.621 8 HG3 ARG 1 HG1 ARG 1 21.044 -6.633 -6.892 9 HD2 ARG 1 HD2 ARG 1 22.591 -7.163 -8.535 10 HD3 ARG 1 HD1 ARG 1 23.952 -7.181 -7.396 11 HE ARG 1 HE ARG 1 21.861 -9.329 -7.420 12 HH11 ARG 1 HH11 ARG 1 24.256 -9.948 -9.023 13 HH12 ARG 1 HH12 ARG 1 25.303 -10.726 -7.885 14 HH21 ARG 1 HH21 ARG 1 23.562 -9.567 -5.101 15 HH22 ARG 1 HH22 ARG 1 24.906 -10.509 -5.646 16 H LEU 2 HN LEU 2 19.838 -4.709 -7.043 17 HA LEU 2 HA LEU 2 19.096 -1.901 -6.599 18 HB2 LEU 2 HB2 LEU 2 17.953 -4.124 -7.773 19 HB3 LEU 2 HB1 LEU 2 17.071 -4.019 -6.251 20 HG LEU 2 HG LEU 2 17.027 -1.411 -6.963 21 HD11 LEU 2 HD11 LEU 2 16.970 -2.969 -9.567 22 HD12 LEU 2 HD12 LEU 2 18.240 -1.849 -9.074 23 HD13 LEU 2 HD13 LEU 2 16.609 -1.253 -9.383 24 HD21 LEU 2 HD21 LEU 2 14.745 -1.786 -7.636 25 HD22 LEU 2 HD22 LEU 2 15.118 -3.006 -6.421 26 HD23 LEU 2 HD23 LEU 2 15.098 -3.441 -8.130 27 H VAL 3 HN VAL 3 17.018 -2.013 -4.785 28 HA VAL 3 HA VAL 3 18.311 -1.929 -2.246 29 HB VAL 3 HB VAL 3 16.004 -1.716 -1.358 30 HG11 VAL 3 HG11 VAL 3 15.952 0.409 -2.087 31 HG12 VAL 3 HG12 VAL 3 15.670 -0.087 -3.754 32 HG13 VAL 3 HG13 VAL 3 17.315 -0.014 -3.124 33 HG21 VAL 3 HG21 VAL 3 15.354 -3.101 -3.846 34 HG22 VAL 3 HG22 VAL 3 14.416 -1.618 -3.668 35 HG23 VAL 3 HG23 VAL 3 14.357 -2.853 -2.411 36 HA PRO 4 HA PRO 4 18.296 -6.306 -1.417 37 HB2 PRO 4 HB2 PRO 4 19.501 -6.198 1.029 38 HB3 PRO 4 HB1 PRO 4 20.375 -5.992 -0.500 39 HG2 PRO 4 HG2 PRO 4 19.572 -3.976 1.493 40 HG3 PRO 4 HG1 PRO 4 20.949 -3.990 0.383 41 HD2 PRO 4 HD2 PRO 4 18.583 -2.538 0.062 42 HD3 PRO 4 HD1 PRO 4 19.818 -2.833 -1.182 43 H GLY 5 HN GLY 5 15.750 -5.617 -1.169 44 HA2 GLY 5 HA2 GLY 5 13.889 -6.529 0.021 45 HA3 GLY 5 HA1 GLY 5 14.919 -6.754 1.427 46 H ALA 6 HN ALA 6 15.909 -3.965 1.420 47 HA ALA 6 HA ALA 6 14.238 -2.684 3.217 48 HB1 ALA 6 HB1 ALA 6 15.464 -0.650 2.585 49 HB2 ALA 6 HB2 ALA 6 15.974 -1.424 1.085 50 HB3 ALA 6 HB3 ALA 6 16.544 -2.043 2.635 51 H ALA 7 HN ALA 7 14.241 -2.057 -0.288 52 HA ALA 7 HA ALA 7 11.645 -0.610 -0.015 53 HB1 ALA 7 HB1 ALA 7 14.019 -0.191 -1.463 54 HB2 ALA 7 HB2 ALA 7 12.519 0.721 -1.608 55 HB3 ALA 7 HB3 ALA 7 12.819 -0.654 -2.670 56 H TYR 8 HN TYR 8 11.910 -3.636 0.067 57 HA TYR 8 HA TYR 8 10.358 -4.337 -2.392 58 HB2 TYR 8 HB2 TYR 8 12.364 -5.692 -0.675 59 HB3 TYR 8 HB1 TYR 8 11.031 -6.707 -1.221 60 HD1 TYR 8 HD1 TYR 8 10.517 -6.851 -3.698 61 HD2 TYR 8 HD2 TYR 8 14.088 -5.019 -2.172 62 HE1 TYR 8 HE1 TYR 8 11.566 -7.034 -5.935 63 HE2 TYR 8 HE2 TYR 8 15.138 -5.204 -4.408 64 HH TYR 8 HH TYR 8 14.163 -7.162 -6.745 65 H ALA 9 HN ALA 9 10.547 -5.250 1.044 66 HA ALA 9 HA ALA 9 7.832 -6.205 1.227 67 HB1 ALA 9 HB1 ALA 9 9.557 -6.899 2.798 68 HB2 ALA 9 HB2 ALA 9 8.314 -6.028 3.698 69 HB3 ALA 9 HB3 ALA 9 9.829 -5.227 3.290 70 H LEU 10 HN LEU 10 9.378 -3.129 1.976 71 HA LEU 10 HA LEU 10 7.149 -1.721 3.092 72 HB2 LEU 10 HB2 LEU 10 9.844 -1.255 2.430 73 HB3 LEU 10 HB1 LEU 10 8.945 -0.078 1.479 74 HG LEU 10 HG LEU 10 8.274 -0.465 4.384 75 HD11 LEU 10 HD11 LEU 10 10.346 1.519 3.441 76 HD12 LEU 10 HD12 LEU 10 10.801 -0.091 4.003 77 HD13 LEU 10 HD13 LEU 10 9.972 1.021 5.091 78 HD21 LEU 10 HD21 LEU 10 8.180 1.885 2.459 79 HD22 LEU 10 HD22 LEU 10 7.665 1.938 4.145 80 HD23 LEU 10 HD23 LEU 10 6.800 0.924 2.991 81 H TYR 11 HN TYR 11 8.348 -1.952 -0.276 82 HA TYR 11 HA TYR 11 6.212 -0.311 -1.374 83 HB2 TYR 11 HB2 TYR 11 8.491 -1.956 -2.394 84 HB3 TYR 11 HB1 TYR 11 7.231 -1.484 -3.532 85 HD1 TYR 11 HD2 TYR 11 9.746 -0.200 -1.126 86 HD2 TYR 11 HD1 TYR 11 6.972 0.802 -4.250 87 HE1 TYR 11 HE2 TYR 11 10.714 2.077 -1.253 88 HE2 TYR 11 HE1 TYR 11 7.940 3.078 -4.375 89 HH TYR 11 HH TYR 11 10.704 3.956 -3.462 90 H GLY 12 HN GLY 12 6.087 -3.423 -0.156 91 HA2 GLY 12 HA2 GLY 12 4.172 -4.471 -2.146 92 HA3 GLY 12 HA1 GLY 12 4.801 -5.348 -0.747 93 H VAL 13 HN VAL 13 4.281 -2.990 1.045 94 HA VAL 13 HA VAL 13 1.358 -3.428 1.402 95 HB VAL 13 HB VAL 13 1.788 -2.878 3.751 96 HG11 VAL 13 HG11 VAL 13 3.146 -4.807 4.329 97 HG12 VAL 13 HG12 VAL 13 3.859 -4.834 2.716 98 HG13 VAL 13 HG13 VAL 13 2.148 -5.207 2.932 99 HG21 VAL 13 HG21 VAL 13 3.909 -2.250 4.600 100 HG22 VAL 13 HG22 VAL 13 3.735 -1.272 3.143 101 HG23 VAL 13 HG23 VAL 13 4.742 -2.721 3.119 102 H TRP 14 HN TRP 14 3.652 -0.956 0.610 103 HA TRP 14 HA TRP 14 2.234 1.336 1.589 104 HB2 TRP 14 HB2 TRP 14 4.625 1.252 0.903 105 HB3 TRP 14 HB1 TRP 14 4.125 1.087 -0.766 106 HD1 TRP 14 HD1 TRP 14 5.010 3.341 -1.647 107 HE1 TRP 14 HE1 TRP 14 4.376 5.800 -1.239 108 HE3 TRP 14 HE3 TRP 14 1.974 2.821 2.442 109 HZ2 TRP 14 HZ2 TRP 14 2.792 7.348 0.572 110 HZ3 TRP 14 HZ3 TRP 14 0.923 4.799 3.479 111 HH2 TRP 14 HH2 TRP 14 1.325 7.063 2.554 112 HA PRO 15 HA PRO 15 0.255 1.724 -2.746 113 HB2 PRO 15 HB2 PRO 15 0.402 -0.381 -4.483 114 HB3 PRO 15 HB1 PRO 15 1.608 0.922 -4.435 115 HG2 PRO 15 HG2 PRO 15 1.755 -1.823 -3.320 116 HG3 PRO 15 HG1 PRO 15 3.019 -0.834 -4.065 117 HD2 PRO 15 HD2 PRO 15 2.758 -1.202 -1.375 118 HD3 PRO 15 HD1 PRO 15 3.540 0.213 -2.108 119 H LEU 16 HN LEU 16 0.256 -1.522 -1.282 120 HA LEU 16 HA LEU 16 -2.461 -2.227 -1.959 121 HB2 LEU 16 HB2 LEU 16 -0.318 -3.122 -0.076 122 HB3 LEU 16 HB1 LEU 16 -1.961 -3.613 0.313 123 HG LEU 16 HG LEU 16 -0.787 -5.308 -1.056 124 HD11 LEU 16 HD11 LEU 16 -3.326 -4.697 -1.252 125 HD12 LEU 16 HD12 LEU 16 -2.606 -5.788 -2.435 126 HD13 LEU 16 HD13 LEU 16 -2.873 -4.095 -2.847 127 HD21 LEU 16 HD21 LEU 16 -0.800 -3.212 -3.251 128 HD22 LEU 16 HD22 LEU 16 -0.156 -4.849 -3.352 129 HD23 LEU 16 HD23 LEU 16 0.631 -3.656 -2.321 130 H LEU 17 HN LEU 17 -0.982 -0.685 0.874 131 HA LEU 17 HA LEU 17 -3.419 -0.318 2.370 132 HB2 LEU 17 HB2 LEU 17 -0.954 -0.147 3.131 133 HB3 LEU 17 HB1 LEU 17 -0.972 1.470 2.427 134 HG LEU 17 HG LEU 17 -3.186 1.697 3.897 135 HD11 LEU 17 HD11 LEU 17 -1.591 -0.530 5.171 136 HD12 LEU 17 HD12 LEU 17 -3.322 -0.474 4.839 137 HD13 LEU 17 HD13 LEU 17 -2.640 0.518 6.129 138 HD21 LEU 17 HD21 LEU 17 -0.365 1.849 5.017 139 HD22 LEU 17 HD22 LEU 17 -1.774 2.672 5.685 140 HD23 LEU 17 HD23 LEU 17 -1.173 3.111 4.087 141 H LEU 18 HN LEU 18 -1.713 1.595 -0.047 142 HA LEU 18 HA LEU 18 -3.367 3.959 0.036 143 HB2 LEU 18 HB2 LEU 18 -1.179 2.825 -1.502 144 HB3 LEU 18 HB1 LEU 18 -2.373 3.515 -2.596 145 HG LEU 18 HG LEU 18 -2.327 5.609 -1.169 146 HD11 LEU 18 HD11 LEU 18 0.291 4.544 -0.115 147 HD12 LEU 18 HD12 LEU 18 -1.210 4.282 0.772 148 HD13 LEU 18 HD13 LEU 18 -0.648 5.922 0.456 149 HD21 LEU 18 HD21 LEU 18 -0.259 6.432 -2.186 150 HD22 LEU 18 HD22 LEU 18 -1.089 5.371 -3.324 151 HD23 LEU 18 HD23 LEU 18 0.310 4.780 -2.426 152 H LEU 19 HN LEU 19 -3.468 0.902 -1.792 153 HA LEU 19 HA LEU 19 -5.766 1.494 -3.422 154 HB2 LEU 19 HB2 LEU 19 -3.907 -0.619 -2.972 155 HB3 LEU 19 HB1 LEU 19 -5.509 -1.310 -2.758 156 HG LEU 19 HG LEU 19 -5.711 0.353 -5.026 157 HD11 LEU 19 HD11 LEU 19 -3.311 0.455 -5.253 158 HD12 LEU 19 HD12 LEU 19 -3.913 -0.668 -6.472 159 HD13 LEU 19 HD13 LEU 19 -3.162 -1.283 -5.000 160 HD21 LEU 19 HD21 LEU 19 -5.934 -1.859 -6.207 161 HD22 LEU 19 HD22 LEU 19 -6.917 -1.740 -4.749 162 HD23 LEU 19 HD23 LEU 19 -5.408 -2.654 -4.723 163 H LEU 20 HN LEU 20 -5.330 0.001 -0.250 164 HA LEU 20 HA LEU 20 -8.103 -0.672 0.233 165 HB2 LEU 20 HB2 LEU 20 -5.554 -0.911 1.499 166 HB3 LEU 20 HB1 LEU 20 -6.611 -0.099 2.644 167 HG LEU 20 HG LEU 20 -6.708 -2.539 2.929 168 HD11 LEU 20 HD11 LEU 20 -8.730 -1.446 3.528 169 HD12 LEU 20 HD12 LEU 20 -9.219 -2.819 2.535 170 HD13 LEU 20 HD13 LEU 20 -9.190 -1.198 1.844 171 HD21 LEU 20 HD21 LEU 20 -7.229 -4.037 1.220 172 HD22 LEU 20 HD22 LEU 20 -6.284 -2.835 0.342 173 HD23 LEU 20 HD23 LEU 20 -8.044 -2.810 0.252 174 H LEU 21 HN LEU 21 -6.058 2.139 1.054 175 HA LEU 21 HA LEU 21 -7.965 3.628 2.570 176 HB2 LEU 21 HB2 LEU 21 -5.392 3.897 2.143 177 HB3 LEU 21 HB1 LEU 21 -5.891 4.848 0.752 178 HG LEU 21 HG LEU 21 -5.405 6.190 2.824 179 HD11 LEU 21 HD11 LEU 21 -6.992 7.760 2.295 180 HD12 LEU 21 HD12 LEU 21 -8.308 6.585 2.267 181 HD13 LEU 21 HD13 LEU 21 -7.190 6.690 0.907 182 HD21 LEU 21 HD21 LEU 21 -8.015 5.044 3.854 183 HD22 LEU 21 HD22 LEU 21 -6.909 6.130 4.694 184 HD23 LEU 21 HD23 LEU 21 -6.436 4.460 4.381 185 H ALA 22 HN ALA 22 -7.331 3.427 -0.891 186 HA ALA 22 HA ALA 22 -9.509 5.353 -1.515 187 HB1 ALA 22 HB1 ALA 22 -8.569 5.101 -3.819 188 HB2 ALA 22 HB2 ALA 22 -7.431 3.907 -3.193 189 HB3 ALA 22 HB3 ALA 22 -7.347 5.580 -2.640 190 H LEU 23 HN LEU 23 -10.269 2.796 -0.337 191 HA LEU 23 HA LEU 23 -11.782 1.571 -2.619 192 HB2 LEU 23 HB2 LEU 23 -9.702 0.506 -1.161 193 HB3 LEU 23 HB1 LEU 23 -11.126 -0.170 -0.392 194 HG LEU 23 HG LEU 23 -10.346 -1.655 -2.188 195 HD11 LEU 23 HD11 LEU 23 -12.836 -1.273 -1.726 196 HD12 LEU 23 HD12 LEU 23 -12.427 -1.983 -3.287 197 HD13 LEU 23 HD13 LEU 23 -12.843 -0.273 -3.179 198 HD21 LEU 23 HD21 LEU 23 -11.058 0.337 -4.296 199 HD22 LEU 23 HD22 LEU 23 -9.864 -0.960 -4.333 200 HD23 LEU 23 HD23 LEU 23 -9.507 0.543 -3.482 201 HA PRO 24 HA PRO 24 -14.555 3.099 0.781 202 HB2 PRO 24 HB2 PRO 24 -16.286 4.366 -0.925 203 HB3 PRO 24 HB1 PRO 24 -14.842 5.109 -0.210 204 HG2 PRO 24 HG2 PRO 24 -15.225 3.995 -2.936 205 HG3 PRO 24 HG1 PRO 24 -14.319 5.420 -2.410 206 HD2 PRO 24 HD2 PRO 24 -13.117 3.034 -3.011 207 HD3 PRO 24 HD1 PRO 24 -12.439 4.195 -1.860 208 HA PRO 25 HA PRO 25 -18.068 0.524 -1.292 209 HB2 PRO 25 HB2 PRO 25 -17.364 -1.166 -3.319 210 HB3 PRO 25 HB1 PRO 25 -17.955 0.484 -3.606 211 HG2 PRO 25 HG2 PRO 25 -15.159 -0.540 -3.595 212 HG3 PRO 25 HG1 PRO 25 -15.936 0.615 -4.694 213 HD2 PRO 25 HD2 PRO 25 -14.314 1.402 -2.695 214 HD3 PRO 25 HD1 PRO 25 -15.693 2.371 -3.254 215 H ARG 26 HN ARG 26 -18.409 -2.001 -1.206 216 HA ARG 26 HA ARG 26 -16.766 -3.096 0.923 217 HB2 ARG 26 HB2 ARG 26 -19.277 -3.603 -0.348 218 HB3 ARG 26 HB1 ARG 26 -18.350 -5.101 -0.402 219 HG2 ARG 26 HG2 ARG 26 -17.835 -4.652 2.090 220 HG3 ARG 26 HG1 ARG 26 -19.156 -3.485 2.015 221 HD2 ARG 26 HD2 ARG 26 -20.203 -5.498 2.726 222 HD3 ARG 26 HD1 ARG 26 -20.546 -5.436 0.987 223 HE ARG 26 HE ARG 26 -18.037 -6.812 1.676 224 HH11 ARG 26 HH11 ARG 26 -19.699 -7.353 -0.788 225 HH12 ARG 26 HH12 ARG 26 -20.413 -8.882 -0.404 226 HH21 ARG 26 HH21 ARG 26 -19.705 -8.647 2.999 227 HH22 ARG 26 HH22 ARG 26 -20.419 -9.619 1.758 228 H ALA 27 HN ALA 27 -17.414 -4.564 -2.288 229 HA ALA 27 HA ALA 27 -14.574 -4.934 -2.898 230 HB1 ALA 27 HB1 ALA 27 -16.247 -7.376 -2.254 231 HB2 ALA 27 HB2 ALA 27 -15.158 -6.619 -1.090 232 HB3 ALA 27 HB3 ALA 27 -14.515 -7.317 -2.577 233 H TYR 28 HN TYR 28 -16.987 -3.869 -4.284 234 HA TYR 28 HA TYR 28 -16.687 -5.329 -6.813 235 HB2 TYR 28 HB2 TYR 28 -19.020 -5.975 -7.010 236 HB3 TYR 28 HB1 TYR 28 -18.374 -6.629 -5.512 237 HD1 TYR 28 HD1 TYR 28 -18.919 -5.491 -3.322 238 HD2 TYR 28 HD2 TYR 28 -20.805 -4.394 -7.023 239 HE1 TYR 28 HE1 TYR 28 -20.711 -4.328 -2.065 240 HE2 TYR 28 HE2 TYR 28 -22.596 -3.232 -5.767 241 HH TYR 28 HH TYR 28 -23.299 -3.716 -2.696 242 H ALA 29 HN ALA 29 -18.501 -2.749 -5.091 243 HA ALA 29 HA ALA 29 -19.116 -0.603 -5.733 244 HB1 ALA 29 HB1 ALA 29 -17.523 0.548 -7.065 245 HB2 ALA 29 HB2 ALA 29 -17.101 -0.908 -7.965 246 HB3 ALA 29 HB3 ALA 29 -16.603 -0.737 -6.283 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 18.006 4.158 12.691 2 H2 ARG 1 HT2 ARG 1 16.600 3.260 13.022 3 H3 ARG 1 HT3 ARG 1 17.248 3.285 11.453 4 HA ARG 1 HA ARG 1 19.232 2.114 12.216 5 HB2 ARG 1 HB2 ARG 1 18.171 3.080 14.697 6 HB3 ARG 1 HB1 ARG 1 18.275 1.325 14.798 7 HG2 ARG 1 HG2 ARG 1 20.620 2.667 13.578 8 HG3 ARG 1 HG1 ARG 1 20.372 2.981 15.294 9 HD2 ARG 1 HD2 ARG 1 20.714 0.763 15.898 10 HD3 ARG 1 HD1 ARG 1 20.178 0.143 14.324 11 HE ARG 1 HE ARG 1 22.315 0.878 13.361 12 HH11 ARG 1 HH21 ARG 1 23.306 -0.944 15.425 13 HH12 ARG 1 HH22 ARG 1 24.430 0.023 16.318 14 HH21 ARG 1 HH11 ARG 1 23.192 3.043 15.092 15 HH22 ARG 1 HH12 ARG 1 24.365 2.304 16.128 16 H LEU 2 HN LEU 2 19.219 -0.168 12.052 17 HA LEU 2 HA LEU 2 18.397 -2.305 11.602 18 HB2 LEU 2 HB2 LEU 2 16.078 -1.305 13.286 19 HB3 LEU 2 HB1 LEU 2 16.381 -2.987 12.867 20 HG LEU 2 HG LEU 2 18.811 -1.946 13.927 21 HD11 LEU 2 HD11 LEU 2 16.733 -1.662 16.045 22 HD12 LEU 2 HD12 LEU 2 16.909 -0.323 14.912 23 HD13 LEU 2 HD13 LEU 2 18.288 -0.849 15.878 24 HD21 LEU 2 HD21 LEU 2 16.728 -3.815 15.107 25 HD22 LEU 2 HD22 LEU 2 18.398 -3.674 15.657 26 HD23 LEU 2 HD23 LEU 2 18.051 -4.288 14.041 27 H VAL 3 HN VAL 3 16.399 -3.470 10.569 28 HA VAL 3 HA VAL 3 14.945 -1.625 8.718 29 HB VAL 3 HB VAL 3 15.406 -3.414 6.941 30 HG11 VAL 3 HG11 VAL 3 17.496 -2.412 6.318 31 HG12 VAL 3 HG12 VAL 3 17.845 -1.964 7.987 32 HG13 VAL 3 HG13 VAL 3 16.535 -1.168 7.116 33 HG21 VAL 3 HG21 VAL 3 17.056 -5.031 7.262 34 HG22 VAL 3 HG22 VAL 3 16.317 -5.001 8.863 35 HG23 VAL 3 HG23 VAL 3 17.827 -4.138 8.573 36 HA PRO 4 HA PRO 4 11.575 -4.183 10.058 37 HB2 PRO 4 HB2 PRO 4 9.665 -3.245 8.346 38 HB3 PRO 4 HB1 PRO 4 10.215 -2.349 9.776 39 HG2 PRO 4 HG2 PRO 4 10.922 -1.963 6.923 40 HG3 PRO 4 HG1 PRO 4 10.707 -0.768 8.209 41 HD2 PRO 4 HD2 PRO 4 13.143 -1.623 7.292 42 HD3 PRO 4 HD1 PRO 4 12.862 -0.936 8.907 43 H GLY 5 HN GLY 5 11.912 -3.796 6.540 44 HA2 GLY 5 HA2 GLY 5 11.904 -6.742 6.191 45 HA3 GLY 5 HA1 GLY 5 10.666 -5.820 5.345 46 H ALA 6 HN ALA 6 14.002 -4.871 5.943 47 HA ALA 6 HA ALA 6 15.685 -4.103 4.490 48 HB1 ALA 6 HB1 ALA 6 16.237 -5.789 2.792 49 HB2 ALA 6 HB2 ALA 6 14.626 -6.488 2.943 50 HB3 ALA 6 HB3 ALA 6 15.754 -6.573 4.296 51 H ALA 7 HN ALA 7 13.255 -2.663 4.140 52 HA ALA 7 HA ALA 7 12.128 -1.237 2.653 53 HB1 ALA 7 HB1 ALA 7 14.914 -1.238 2.182 54 HB2 ALA 7 HB2 ALA 7 13.763 0.029 1.761 55 HB3 ALA 7 HB3 ALA 7 14.158 -1.226 0.588 56 H TYR 8 HN TYR 8 11.737 -4.194 2.258 57 HA TYR 8 HA TYR 8 11.193 -4.296 -0.677 58 HB2 TYR 8 HB2 TYR 8 12.367 -6.078 1.196 59 HB3 TYR 8 HB1 TYR 8 10.825 -6.791 0.725 60 HD1 TYR 8 HD1 TYR 8 14.118 -5.630 -0.471 61 HD2 TYR 8 HD2 TYR 8 10.402 -7.486 -1.568 62 HE1 TYR 8 HE1 TYR 8 15.104 -6.323 -2.639 63 HE2 TYR 8 HE2 TYR 8 11.389 -8.179 -3.734 64 HH TYR 8 HH TYR 8 14.251 -8.550 -4.415 65 H ALA 9 HN ALA 9 9.756 -5.279 2.421 66 HA ALA 9 HA ALA 9 7.095 -5.698 1.417 67 HB1 ALA 9 HB1 ALA 9 6.511 -5.839 3.764 68 HB2 ALA 9 HB2 ALA 9 7.951 -4.930 4.220 69 HB3 ALA 9 HB3 ALA 9 8.108 -6.563 3.570 70 H LEU 10 HN LEU 10 8.729 -2.910 2.818 71 HA LEU 10 HA LEU 10 6.495 -1.124 3.067 72 HB2 LEU 10 HB2 LEU 10 9.164 -1.120 3.686 73 HB3 LEU 10 HB1 LEU 10 9.154 -0.025 2.311 74 HG LEU 10 HG LEU 10 7.314 0.252 4.706 75 HD11 LEU 10 HD11 LEU 10 9.835 1.795 4.017 76 HD12 LEU 10 HD12 LEU 10 9.712 0.581 5.291 77 HD13 LEU 10 HD13 LEU 10 8.785 2.076 5.407 78 HD21 LEU 10 HD21 LEU 10 6.308 1.366 2.873 79 HD22 LEU 10 HD22 LEU 10 7.862 1.884 2.221 80 HD23 LEU 10 HD23 LEU 10 7.220 2.643 3.678 81 H TYR 11 HN TYR 11 8.901 -1.546 0.451 82 HA TYR 11 HA TYR 11 7.712 0.372 -1.346 83 HB2 TYR 11 HB2 TYR 11 9.842 -1.688 -1.371 84 HB3 TYR 11 HB1 TYR 11 9.148 -1.305 -2.946 85 HD1 TYR 11 HD1 TYR 11 11.025 0.027 -0.065 86 HD2 TYR 11 HD2 TYR 11 9.359 0.919 -3.923 87 HE1 TYR 11 HE1 TYR 11 12.340 2.128 -0.147 88 HE2 TYR 11 HE2 TYR 11 10.673 3.018 -4.004 89 HH TYR 11 HH TYR 11 11.733 4.609 -1.916 90 H GLY 12 HN GLY 12 7.262 -3.082 -0.848 91 HA2 GLY 12 HA2 GLY 12 5.603 -3.486 -3.202 92 HA3 GLY 12 HA1 GLY 12 5.832 -4.637 -1.888 93 H VAL 13 HN VAL 13 4.983 -2.603 0.168 94 HA VAL 13 HA VAL 13 2.101 -3.094 -0.023 95 HB VAL 13 HB VAL 13 3.708 -3.294 1.994 96 HG11 VAL 13 HG11 VAL 13 4.514 -1.451 3.015 97 HG12 VAL 13 HG12 VAL 13 2.984 -0.589 2.858 98 HG13 VAL 13 HG13 VAL 13 4.128 -0.602 1.519 99 HG21 VAL 13 HG21 VAL 13 1.908 -2.864 3.545 100 HG22 VAL 13 HG22 VAL 13 1.214 -3.508 2.057 101 HG23 VAL 13 HG23 VAL 13 1.120 -1.780 2.399 102 H TRP 14 HN TRP 14 3.971 -0.637 -1.297 103 HA TRP 14 HA TRP 14 2.636 1.769 -0.625 104 HB2 TRP 14 HB2 TRP 14 4.768 1.568 -1.860 105 HB3 TRP 14 HB1 TRP 14 3.916 0.912 -3.237 106 HD1 TRP 14 HD1 TRP 14 4.493 2.850 -4.861 107 HE1 TRP 14 HE1 TRP 14 3.730 5.301 -5.047 108 HE3 TRP 14 HE3 TRP 14 2.261 3.445 -0.295 109 HZ2 TRP 14 HZ2 TRP 14 2.358 7.256 -3.480 110 HZ3 TRP 14 HZ3 TRP 14 1.238 5.606 0.322 111 HH2 TRP 14 HH2 TRP 14 1.282 7.514 -1.258 112 HA PRO 15 HA PRO 15 -0.356 1.080 -4.331 113 HB2 PRO 15 HB2 PRO 15 -0.516 -1.422 -5.427 114 HB3 PRO 15 HB1 PRO 15 0.586 -0.166 -6.026 115 HG2 PRO 15 HG2 PRO 15 1.158 -2.477 -4.243 116 HG3 PRO 15 HG1 PRO 15 2.123 -1.808 -5.569 117 HD2 PRO 15 HD2 PRO 15 2.672 -1.317 -2.972 118 HD3 PRO 15 HD1 PRO 15 3.026 -0.147 -4.259 119 H LEU 16 HN LEU 16 0.166 -1.474 -1.941 120 HA LEU 16 HA LEU 16 -2.528 -2.480 -1.801 121 HB2 LEU 16 HB2 LEU 16 -0.027 -2.924 -0.558 122 HB3 LEU 16 HB1 LEU 16 -1.120 -2.471 0.746 123 HG LEU 16 HG LEU 16 -2.593 -4.245 -0.880 124 HD11 LEU 16 HD11 LEU 16 -1.035 -6.267 -0.715 125 HD12 LEU 16 HD12 LEU 16 0.278 -5.111 -0.488 126 HD13 LEU 16 HD13 LEU 16 -0.660 -5.099 -1.981 127 HD21 LEU 16 HD21 LEU 16 -2.328 -5.748 1.130 128 HD22 LEU 16 HD22 LEU 16 -2.815 -4.101 1.533 129 HD23 LEU 16 HD23 LEU 16 -1.141 -4.608 1.762 130 H LEU 17 HN LEU 17 -0.837 0.072 -0.009 131 HA LEU 17 HA LEU 17 -3.090 0.870 1.616 132 HB2 LEU 17 HB2 LEU 17 -0.381 1.862 0.910 133 HB3 LEU 17 HB1 LEU 17 -1.525 3.114 1.384 134 HG LEU 17 HG LEU 17 -1.937 1.070 3.252 135 HD11 LEU 17 HD11 LEU 17 1.027 1.496 2.766 136 HD12 LEU 17 HD12 LEU 17 0.147 -0.010 2.507 137 HD13 LEU 17 HD13 LEU 17 0.327 0.638 4.138 138 HD21 LEU 17 HD21 LEU 17 -1.818 3.637 3.463 139 HD22 LEU 17 HD22 LEU 17 -0.078 3.424 3.658 140 HD23 LEU 17 HD23 LEU 17 -1.191 2.699 4.817 141 H LEU 18 HN LEU 18 -1.910 1.765 -1.569 142 HA LEU 18 HA LEU 18 -3.704 3.972 -2.081 143 HB2 LEU 18 HB2 LEU 18 -1.756 2.266 -3.495 144 HB3 LEU 18 HB1 LEU 18 -3.092 2.764 -4.526 145 HG LEU 18 HG LEU 18 -2.685 5.140 -3.670 146 HD11 LEU 18 HD11 LEU 18 -0.736 5.657 -2.503 147 HD12 LEU 18 HD12 LEU 18 0.085 4.183 -3.013 148 HD13 LEU 18 HD13 LEU 18 -1.168 4.111 -1.775 149 HD21 LEU 18 HD21 LEU 18 -1.986 4.334 -5.919 150 HD22 LEU 18 HD22 LEU 18 -0.452 3.795 -5.232 151 HD23 LEU 18 HD23 LEU 18 -0.850 5.512 -5.262 152 H LEU 19 HN LEU 19 -3.814 0.453 -2.664 153 HA LEU 19 HA LEU 19 -6.379 0.358 -3.977 154 HB2 LEU 19 HB2 LEU 19 -4.286 -1.384 -3.248 155 HB3 LEU 19 HB1 LEU 19 -5.689 -1.986 -2.379 156 HG LEU 19 HG LEU 19 -6.750 -1.461 -4.868 157 HD11 LEU 19 HD11 LEU 19 -5.055 -2.699 -6.374 158 HD12 LEU 19 HD12 LEU 19 -3.859 -2.296 -5.142 159 HD13 LEU 19 HD13 LEU 19 -4.714 -1.010 -5.994 160 HD21 LEU 19 HD21 LEU 19 -6.481 -3.980 -5.188 161 HD22 LEU 19 HD22 LEU 19 -7.226 -3.485 -3.668 162 HD23 LEU 19 HD23 LEU 19 -5.532 -3.980 -3.701 163 H LEU 20 HN LEU 20 -5.297 0.101 -0.632 164 HA LEU 20 HA LEU 20 -7.833 -0.486 0.601 165 HB2 LEU 20 HB2 LEU 20 -5.086 0.199 1.334 166 HB3 LEU 20 HB1 LEU 20 -6.237 0.960 2.418 167 HG LEU 20 HG LEU 20 -5.593 -1.225 3.286 168 HD11 LEU 20 HD11 LEU 20 -8.400 -1.423 2.169 169 HD12 LEU 20 HD12 LEU 20 -7.962 -0.411 3.544 170 HD13 LEU 20 HD13 LEU 20 -7.780 -2.160 3.646 171 HD21 LEU 20 HD21 LEU 20 -4.947 -2.617 1.563 172 HD22 LEU 20 HD22 LEU 20 -6.237 -2.073 0.491 173 HD23 LEU 20 HD23 LEU 20 -6.591 -3.210 1.791 174 H LEU 21 HN LEU 21 -6.079 2.596 0.052 175 HA LEU 21 HA LEU 21 -8.063 4.314 1.219 176 HB2 LEU 21 HB2 LEU 21 -5.535 4.629 0.385 177 HB3 LEU 21 HB1 LEU 21 -6.357 5.233 -1.052 178 HG LEU 21 HG LEU 21 -7.773 6.615 0.691 179 HD11 LEU 21 HD11 LEU 21 -6.663 7.139 2.729 180 HD12 LEU 21 HD12 LEU 21 -5.170 6.357 2.208 181 HD13 LEU 21 HD13 LEU 21 -6.584 5.382 2.605 182 HD21 LEU 21 HD21 LEU 21 -4.907 7.228 -0.094 183 HD22 LEU 21 HD22 LEU 21 -6.020 8.423 0.572 184 HD23 LEU 21 HD23 LEU 21 -6.366 7.665 -0.982 185 H ALA 22 HN ALA 22 -7.757 2.842 -1.937 186 HA ALA 22 HA ALA 22 -9.988 4.446 -3.068 187 HB1 ALA 22 HB1 ALA 22 -9.298 3.370 -5.158 188 HB2 ALA 22 HB2 ALA 22 -8.230 2.282 -4.270 189 HB3 ALA 22 HB3 ALA 22 -7.880 4.009 -4.328 190 H LEU 23 HN LEU 23 -10.471 2.446 -0.862 191 HA LEU 23 HA LEU 23 -12.467 0.738 -2.295 192 HB2 LEU 23 HB2 LEU 23 -10.147 -0.229 -1.562 193 HB3 LEU 23 HB1 LEU 23 -10.907 -0.270 0.024 194 HG LEU 23 HG LEU 23 -12.800 -1.292 -1.841 195 HD11 LEU 23 HD11 LEU 23 -11.226 -1.915 -3.448 196 HD12 LEU 23 HD12 LEU 23 -11.322 -3.369 -2.454 197 HD13 LEU 23 HD13 LEU 23 -9.977 -2.245 -2.246 198 HD21 LEU 23 HD21 LEU 23 -12.592 -1.861 0.559 199 HD22 LEU 23 HD22 LEU 23 -11.075 -2.697 0.224 200 HD23 LEU 23 HD23 LEU 23 -12.587 -3.310 -0.446 201 HA PRO 24 HA PRO 24 -14.067 3.137 1.395 202 HB2 PRO 24 HB2 PRO 24 -15.986 4.504 0.001 203 HB3 PRO 24 HB1 PRO 24 -14.325 5.066 0.255 204 HG2 PRO 24 HG2 PRO 24 -15.535 3.821 -2.146 205 HG3 PRO 24 HG1 PRO 24 -14.316 5.095 -2.021 206 HD2 PRO 24 HD2 PRO 24 -13.712 2.469 -2.586 207 HD3 PRO 24 HD1 PRO 24 -12.578 3.601 -1.842 208 HA PRO 25 HA PRO 25 -18.314 1.024 0.571 209 HB2 PRO 25 HB2 PRO 25 -18.436 -0.902 -1.355 210 HB3 PRO 25 HB1 PRO 25 -18.841 0.798 -1.669 211 HG2 PRO 25 HG2 PRO 25 -16.327 -0.679 -2.266 212 HG3 PRO 25 HG1 PRO 25 -17.195 0.518 -3.244 213 HD2 PRO 25 HD2 PRO 25 -14.992 1.135 -1.816 214 HD3 PRO 25 HD1 PRO 25 -16.305 2.292 -2.120 215 H ARG 26 HN ARG 26 -18.837 -0.830 1.780 216 HA ARG 26 HA ARG 26 -16.607 -2.779 2.279 217 HB2 ARG 26 HB2 ARG 26 -17.340 -2.822 4.574 218 HB3 ARG 26 HB1 ARG 26 -17.155 -1.142 4.083 219 HG2 ARG 26 HG2 ARG 26 -19.799 -1.674 3.438 220 HG3 ARG 26 HG1 ARG 26 -19.567 -2.591 4.925 221 HD2 ARG 26 HD2 ARG 26 -18.751 -0.597 6.083 222 HD3 ARG 26 HD1 ARG 26 -18.872 0.348 4.586 223 HE ARG 26 HE ARG 26 -21.195 -0.751 6.101 224 HH11 ARG 26 HH11 ARG 26 -20.375 2.194 5.329 225 HH12 ARG 26 HH12 ARG 26 -21.609 2.541 4.167 226 HH21 ARG 26 HH21 ARG 26 -22.585 -0.788 3.829 227 HH22 ARG 26 HH22 ARG 26 -22.874 0.840 3.314 228 H ALA 27 HN ALA 27 -19.720 -2.642 0.927 229 HA ALA 27 HA ALA 27 -20.391 -5.421 1.799 230 HB1 ALA 27 HB1 ALA 27 -22.052 -3.291 0.418 231 HB2 ALA 27 HB2 ALA 27 -22.026 -3.582 2.158 232 HB3 ALA 27 HB3 ALA 27 -22.650 -4.819 1.067 233 H TYR 28 HN TYR 28 -18.293 -5.315 -0.017 234 HA TYR 28 HA TYR 28 -19.547 -6.413 -2.507 235 HB2 TYR 28 HB2 TYR 28 -17.495 -4.231 -2.180 236 HB3 TYR 28 HB1 TYR 28 -17.541 -5.198 -3.652 237 HD1 TYR 28 HD2 TYR 28 -19.554 -5.190 -5.109 238 HD2 TYR 28 HD1 TYR 28 -19.237 -2.638 -1.668 239 HE1 TYR 28 HE2 TYR 28 -21.442 -3.821 -5.949 240 HE2 TYR 28 HE1 TYR 28 -21.124 -1.270 -2.509 241 HH TYR 28 HH TYR 28 -22.089 -0.928 -5.194 242 H ALA 29 HN ALA 29 -18.089 -7.574 -0.031 243 HA ALA 29 HA ALA 29 -16.276 -9.360 -1.551 244 HB1 ALA 29 HB1 ALA 29 -15.495 -7.358 0.542 245 HB2 ALA 29 HB2 ALA 29 -14.651 -7.811 -0.939 246 HB3 ALA 29 HB3 ALA 29 -14.616 -8.884 0.460 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 23.146 -0.527 -0.711 2 H2 ARG 1 HT2 ARG 1 24.432 -1.150 0.204 3 H3 ARG 1 HT3 ARG 1 23.276 -0.138 0.932 4 HA ARG 1 HA ARG 1 22.693 -2.841 -0.193 5 HB2 ARG 1 HB2 ARG 1 23.359 -1.782 2.556 6 HB3 ARG 1 HB1 ARG 1 22.416 -3.258 2.359 7 HG2 ARG 1 HG2 ARG 1 24.729 -3.309 0.614 8 HG3 ARG 1 HG1 ARG 1 25.223 -3.019 2.283 9 HD2 ARG 1 HD2 ARG 1 23.644 -4.984 2.895 10 HD3 ARG 1 HD1 ARG 1 23.702 -5.380 1.165 11 HE ARG 1 HE ARG 1 25.944 -5.601 3.042 12 HH11 ARG 1 HH11 ARG 1 25.494 -7.633 0.952 13 HH12 ARG 1 HH12 ARG 1 26.682 -7.238 -0.243 14 HH21 ARG 1 HH21 ARG 1 27.235 -4.031 0.999 15 HH22 ARG 1 HH22 ARG 1 27.677 -5.179 -0.217 16 H LEU 2 HN LEU 2 20.497 -3.402 -0.056 17 HA LEU 2 HA LEU 2 18.612 -1.182 0.621 18 HB2 LEU 2 HB2 LEU 2 17.101 -2.305 -0.917 19 HB3 LEU 2 HB1 LEU 2 18.671 -2.137 -1.690 20 HG LEU 2 HG LEU 2 18.666 -4.624 -0.272 21 HD11 LEU 2 HD11 LEU 2 16.162 -4.373 -0.422 22 HD12 LEU 2 HD12 LEU 2 16.798 -5.785 -1.265 23 HD13 LEU 2 HD13 LEU 2 16.326 -4.353 -2.179 24 HD21 LEU 2 HD21 LEU 2 18.443 -4.054 -3.247 25 HD22 LEU 2 HD22 LEU 2 19.068 -5.528 -2.508 26 HD23 LEU 2 HD23 LEU 2 19.951 -4.011 -2.331 27 H VAL 3 HN VAL 3 19.868 -3.094 2.598 28 HA VAL 3 HA VAL 3 19.338 -4.360 4.445 29 HB VAL 3 HB VAL 3 17.594 -3.500 5.712 30 HG11 VAL 3 HG11 VAL 3 19.097 -1.710 4.681 31 HG12 VAL 3 HG12 VAL 3 17.584 -1.175 5.413 32 HG13 VAL 3 HG13 VAL 3 17.717 -1.306 3.659 33 HG21 VAL 3 HG21 VAL 3 15.427 -3.108 5.060 34 HG22 VAL 3 HG22 VAL 3 15.875 -4.211 3.761 35 HG23 VAL 3 HG23 VAL 3 15.901 -2.472 3.489 36 HA PRO 4 HA PRO 4 17.292 -8.118 3.481 37 HB2 PRO 4 HB2 PRO 4 15.793 -8.832 5.656 38 HB3 PRO 4 HB1 PRO 4 17.566 -8.852 5.644 39 HG2 PRO 4 HG2 PRO 4 15.711 -6.889 6.845 40 HG3 PRO 4 HG1 PRO 4 17.300 -7.438 7.399 41 HD2 PRO 4 HD2 PRO 4 16.800 -5.050 6.122 42 HD3 PRO 4 HD1 PRO 4 18.388 -5.839 6.229 43 H GLY 5 HN GLY 5 14.755 -9.226 4.088 44 HA2 GLY 5 HA2 GLY 5 13.057 -8.217 2.095 45 HA3 GLY 5 HA1 GLY 5 12.540 -9.269 3.401 46 H ALA 6 HN ALA 6 13.462 -6.945 5.313 47 HA ALA 6 HA ALA 6 10.968 -5.834 5.936 48 HB1 ALA 6 HB1 ALA 6 12.861 -5.735 7.428 49 HB2 ALA 6 HB2 ALA 6 12.373 -4.077 7.081 50 HB3 ALA 6 HB3 ALA 6 13.780 -4.769 6.272 51 H ALA 7 HN ALA 7 13.421 -4.561 3.724 52 HA ALA 7 HA ALA 7 12.053 -2.087 3.099 53 HB1 ALA 7 HB1 ALA 7 14.369 -3.663 2.079 54 HB2 ALA 7 HB2 ALA 7 14.288 -1.966 2.550 55 HB3 ALA 7 HB3 ALA 7 13.670 -2.473 0.981 56 H TYR 8 HN TYR 8 12.150 -5.283 1.576 57 HA TYR 8 HA TYR 8 10.657 -4.722 -0.779 58 HB2 TYR 8 HB2 TYR 8 11.075 -7.162 0.943 59 HB3 TYR 8 HB1 TYR 8 10.038 -7.237 -0.479 60 HD1 TYR 8 HD1 TYR 8 10.969 -6.779 -2.744 61 HD2 TYR 8 HD2 TYR 8 13.472 -6.983 0.742 62 HE1 TYR 8 HE1 TYR 8 12.968 -7.012 -4.192 63 HE2 TYR 8 HE2 TYR 8 15.468 -7.216 -0.705 64 HH TYR 8 HH TYR 8 15.860 -6.393 -3.450 65 H ALA 9 HN ALA 9 9.596 -5.386 2.509 66 HA ALA 9 HA ALA 9 6.756 -5.570 1.873 67 HB1 ALA 9 HB1 ALA 9 7.723 -6.688 3.821 68 HB2 ALA 9 HB2 ALA 9 6.567 -5.474 4.371 69 HB3 ALA 9 HB3 ALA 9 8.298 -5.142 4.449 70 H LEU 10 HN LEU 10 8.871 -3.100 3.282 71 HA LEU 10 HA LEU 10 6.890 -1.044 3.650 72 HB2 LEU 10 HB2 LEU 10 9.618 -1.456 4.145 73 HB3 LEU 10 HB1 LEU 10 9.583 -0.089 3.038 74 HG LEU 10 HG LEU 10 7.876 -0.256 5.537 75 HD11 LEU 10 HD11 LEU 10 10.241 -0.232 6.171 76 HD12 LEU 10 HD12 LEU 10 9.515 1.339 6.509 77 HD13 LEU 10 HD13 LEU 10 10.538 1.130 5.088 78 HD21 LEU 10 HD21 LEU 10 8.656 2.084 3.762 79 HD22 LEU 10 HD22 LEU 10 7.580 2.150 5.159 80 HD23 LEU 10 HD23 LEU 10 7.095 1.264 3.714 81 H TYR 11 HN TYR 11 9.179 -1.715 0.989 82 HA TYR 11 HA TYR 11 8.104 0.465 -0.676 83 HB2 TYR 11 HB2 TYR 11 10.265 -1.623 -0.891 84 HB3 TYR 11 HB1 TYR 11 9.807 -0.670 -2.297 85 HD1 TYR 11 HD2 TYR 11 10.088 1.795 -2.303 86 HD2 TYR 11 HD1 TYR 11 11.429 -0.622 0.986 87 HE1 TYR 11 HE2 TYR 11 11.461 3.686 -1.470 88 HE2 TYR 11 HE1 TYR 11 12.798 1.266 1.818 89 HH TYR 11 HH TYR 11 13.740 3.749 0.111 90 H GLY 12 HN GLY 12 6.674 -2.348 0.076 91 HA2 GLY 12 HA2 GLY 12 5.756 -2.911 -2.707 92 HA3 GLY 12 HA1 GLY 12 5.830 -4.133 -1.443 93 H VAL 13 HN VAL 13 4.744 -1.541 0.252 94 HA VAL 13 HA VAL 13 1.906 -2.337 -0.159 95 HB VAL 13 HB VAL 13 1.585 -1.335 2.089 96 HG11 VAL 13 HG11 VAL 13 3.549 -3.518 1.555 97 HG12 VAL 13 HG12 VAL 13 1.969 -3.589 2.331 98 HG13 VAL 13 HG13 VAL 13 3.358 -2.967 3.220 99 HG21 VAL 13 HG21 VAL 13 3.686 0.231 1.674 100 HG22 VAL 13 HG22 VAL 13 4.567 -1.114 2.398 101 HG23 VAL 13 HG23 VAL 13 3.287 -0.310 3.304 102 H TRP 14 HN TRP 14 3.840 0.109 -1.294 103 HA TRP 14 HA TRP 14 2.375 2.502 -0.814 104 HB2 TRP 14 HB2 TRP 14 4.656 2.345 -1.771 105 HB3 TRP 14 HB1 TRP 14 3.996 1.647 -3.232 106 HD1 TRP 14 HD1 TRP 14 4.723 3.586 -4.796 107 HE1 TRP 14 HE1 TRP 14 3.908 6.005 -5.116 108 HE3 TRP 14 HE3 TRP 14 1.901 4.156 -0.563 109 HZ2 TRP 14 HZ2 TRP 14 2.282 7.930 -3.771 110 HZ3 TRP 14 HZ3 TRP 14 0.736 6.286 -0.117 111 HH2 TRP 14 HH2 TRP 14 0.921 8.176 -1.710 112 HA PRO 15 HA PRO 15 -0.102 1.600 -4.833 113 HB2 PRO 15 HB2 PRO 15 -0.036 -0.933 -5.869 114 HB3 PRO 15 HB1 PRO 15 1.088 0.349 -6.363 115 HG2 PRO 15 HG2 PRO 15 1.516 -1.911 -4.481 116 HG3 PRO 15 HG1 PRO 15 2.619 -1.206 -5.674 117 HD2 PRO 15 HD2 PRO 15 2.768 -0.687 -3.018 118 HD3 PRO 15 HD1 PRO 15 3.300 0.463 -4.261 119 H LEU 16 HN LEU 16 0.221 -0.877 -2.331 120 HA LEU 16 HA LEU 16 -2.436 -1.973 -2.478 121 HB2 LEU 16 HB2 LEU 16 -0.113 -2.432 -1.041 122 HB3 LEU 16 HB1 LEU 16 -1.180 -1.766 0.186 123 HG LEU 16 HG LEU 16 -1.406 -4.187 0.158 124 HD11 LEU 16 HD11 LEU 16 -3.856 -3.074 -1.220 125 HD12 LEU 16 HD12 LEU 16 -3.453 -2.693 0.454 126 HD13 LEU 16 HD13 LEU 16 -3.775 -4.360 -0.017 127 HD21 LEU 16 HD21 LEU 16 -0.692 -4.358 -2.300 128 HD22 LEU 16 HD22 LEU 16 -2.370 -3.994 -2.704 129 HD23 LEU 16 HD23 LEU 16 -1.980 -5.446 -1.784 130 H LEU 17 HN LEU 17 -1.020 0.656 -0.575 131 HA LEU 17 HA LEU 17 -3.441 1.435 0.787 132 HB2 LEU 17 HB2 LEU 17 -0.905 2.034 1.173 133 HB3 LEU 17 HB1 LEU 17 -1.227 3.337 0.027 134 HG LEU 17 HG LEU 17 -3.342 3.723 1.601 135 HD11 LEU 17 HD11 LEU 17 -2.602 3.342 3.992 136 HD12 LEU 17 HD12 LEU 17 -1.296 2.340 3.359 137 HD13 LEU 17 HD13 LEU 17 -2.975 1.868 3.099 138 HD21 LEU 17 HD21 LEU 17 -0.644 4.613 2.628 139 HD22 LEU 17 HD22 LEU 17 -2.155 5.519 2.575 140 HD23 LEU 17 HD23 LEU 17 -1.265 5.203 1.087 141 H LEU 18 HN LEU 18 -1.962 2.327 -2.280 142 HA LEU 18 HA LEU 18 -3.767 4.449 -3.027 143 HB2 LEU 18 HB2 LEU 18 -1.625 2.798 -4.187 144 HB3 LEU 18 HB1 LEU 18 -2.869 3.197 -5.366 145 HG LEU 18 HG LEU 18 -2.669 5.612 -4.592 146 HD11 LEU 18 HD11 LEU 18 -0.002 4.755 -3.473 147 HD12 LEU 18 HD12 LEU 18 -1.432 4.838 -2.444 148 HD13 LEU 18 HD13 LEU 18 -0.847 6.288 -3.258 149 HD21 LEU 18 HD21 LEU 18 -1.663 4.951 -6.690 150 HD22 LEU 18 HD22 LEU 18 -0.300 4.202 -5.857 151 HD23 LEU 18 HD23 LEU 18 -0.492 5.955 -5.834 152 H LEU 19 HN LEU 19 -3.728 0.918 -3.520 153 HA LEU 19 HA LEU 19 -6.155 0.732 -5.074 154 HB2 LEU 19 HB2 LEU 19 -4.092 -0.939 -4.177 155 HB3 LEU 19 HB1 LEU 19 -5.516 -1.550 -3.345 156 HG LEU 19 HG LEU 19 -6.650 -1.395 -5.701 157 HD11 LEU 19 HD11 LEU 19 -4.808 -1.963 -7.449 158 HD12 LEU 19 HD12 LEU 19 -3.702 -1.194 -6.310 159 HD13 LEU 19 HD13 LEU 19 -5.038 -0.273 -7.003 160 HD21 LEU 19 HD21 LEU 19 -5.833 -3.458 -4.304 161 HD22 LEU 19 HD22 LEU 19 -4.520 -3.515 -5.480 162 HD23 LEU 19 HD23 LEU 19 -6.193 -3.676 -6.015 163 H LEU 20 HN LEU 20 -5.359 0.494 -1.646 164 HA LEU 20 HA LEU 20 -7.946 -0.107 -0.574 165 HB2 LEU 20 HB2 LEU 20 -5.307 0.886 0.331 166 HB3 LEU 20 HB1 LEU 20 -6.648 1.368 1.362 167 HG LEU 20 HG LEU 20 -6.256 -1.491 0.462 168 HD11 LEU 20 HD11 LEU 20 -5.338 -0.263 3.077 169 HD12 LEU 20 HD12 LEU 20 -4.260 -0.635 1.732 170 HD13 LEU 20 HD13 LEU 20 -5.123 -1.934 2.555 171 HD21 LEU 20 HD21 LEU 20 -8.492 -0.626 1.375 172 HD22 LEU 20 HD22 LEU 20 -7.658 -0.385 2.910 173 HD23 LEU 20 HD23 LEU 20 -7.794 -2.004 2.226 174 H LEU 21 HN LEU 21 -6.297 2.986 -1.258 175 HA LEU 21 HA LEU 21 -8.268 4.776 -0.233 176 HB2 LEU 21 HB2 LEU 21 -5.820 5.104 -1.106 177 HB3 LEU 21 HB1 LEU 21 -6.578 5.293 -2.681 178 HG LEU 21 HG LEU 21 -6.128 7.448 -1.451 179 HD11 LEU 21 HD11 LEU 21 -8.122 6.863 -3.136 180 HD12 LEU 21 HD12 LEU 21 -7.961 8.454 -2.391 181 HD13 LEU 21 HD13 LEU 21 -9.089 7.278 -1.721 182 HD21 LEU 21 HD21 LEU 21 -7.502 8.062 0.436 183 HD22 LEU 21 HD22 LEU 21 -6.749 6.513 0.818 184 HD23 LEU 21 HD23 LEU 21 -8.437 6.573 0.310 185 H ALA 22 HN ALA 22 -7.899 3.182 -3.354 186 HA ALA 22 HA ALA 22 -10.397 4.385 -4.420 187 HB1 ALA 22 HB1 ALA 22 -8.395 2.451 -5.635 188 HB2 ALA 22 HB2 ALA 22 -8.270 4.208 -5.739 189 HB3 ALA 22 HB3 ALA 22 -9.622 3.373 -6.506 190 H LEU 23 HN LEU 23 -10.423 2.401 -2.131 191 HA LEU 23 HA LEU 23 -12.220 0.366 -3.361 192 HB2 LEU 23 HB2 LEU 23 -9.899 -0.513 -2.981 193 HB3 LEU 23 HB1 LEU 23 -10.089 -0.138 -1.271 194 HG LEU 23 HG LEU 23 -12.262 -1.595 -1.460 195 HD11 LEU 23 HD11 LEU 23 -11.985 -1.747 -3.992 196 HD12 LEU 23 HD12 LEU 23 -12.234 -3.280 -3.158 197 HD13 LEU 23 HD13 LEU 23 -10.617 -2.818 -3.688 198 HD21 LEU 23 HD21 LEU 23 -10.319 -2.200 -0.101 199 HD22 LEU 23 HD22 LEU 23 -9.463 -2.771 -1.533 200 HD23 LEU 23 HD23 LEU 23 -10.898 -3.624 -0.964 201 HA PRO 24 HA PRO 24 -14.579 1.731 0.180 202 HB2 PRO 24 HB2 PRO 24 -16.838 0.312 -0.404 203 HB3 PRO 24 HB1 PRO 24 -16.360 1.781 -1.274 204 HG2 PRO 24 HG2 PRO 24 -16.321 -0.997 -2.164 205 HG3 PRO 24 HG1 PRO 24 -16.291 0.494 -3.112 206 HD2 PRO 24 HD2 PRO 24 -14.100 -1.229 -2.449 207 HD3 PRO 24 HD1 PRO 24 -14.068 0.255 -3.423 208 HA PRO 25 HA PRO 25 -13.612 -1.905 2.714 209 HB2 PRO 25 HB2 PRO 25 -13.679 -0.620 5.118 210 HB3 PRO 25 HB1 PRO 25 -12.288 -0.544 4.018 211 HG2 PRO 25 HG2 PRO 25 -14.408 1.463 4.518 212 HG3 PRO 25 HG1 PRO 25 -12.690 1.693 4.158 213 HD2 PRO 25 HD2 PRO 25 -14.719 2.011 2.333 214 HD3 PRO 25 HD1 PRO 25 -13.025 1.668 1.919 215 H ARG 26 HN ARG 26 -14.749 -2.887 4.696 216 HA ARG 26 HA ARG 26 -17.663 -2.188 4.794 217 HB2 ARG 26 HB2 ARG 26 -16.961 -4.151 3.269 218 HB3 ARG 26 HB1 ARG 26 -16.596 -5.017 4.760 219 HG2 ARG 26 HG2 ARG 26 -18.826 -5.625 4.302 220 HG3 ARG 26 HG1 ARG 26 -18.985 -4.343 5.503 221 HD2 ARG 26 HD2 ARG 26 -18.963 -2.883 3.172 222 HD3 ARG 26 HD1 ARG 26 -19.811 -4.359 2.665 223 HE ARG 26 HE ARG 26 -21.353 -4.013 4.613 224 HH11 ARG 26 HH11 ARG 26 -19.899 -2.011 6.192 225 HH12 ARG 26 HH12 ARG 26 -20.638 -0.516 5.727 226 HH21 ARG 26 HH21 ARG 26 -22.079 -1.840 2.841 227 HH22 ARG 26 HH22 ARG 26 -21.889 -0.419 3.808 228 H ALA 27 HN ALA 27 -15.187 -4.295 6.355 229 HA ALA 27 HA ALA 27 -16.064 -3.275 9.016 230 HB1 ALA 27 HB1 ALA 27 -16.098 -6.126 8.006 231 HB2 ALA 27 HB2 ALA 27 -17.413 -5.216 8.750 232 HB3 ALA 27 HB3 ALA 27 -16.050 -5.754 9.730 233 H TYR 28 HN TYR 28 -13.728 -2.491 7.845 234 HA TYR 28 HA TYR 28 -11.490 -2.185 8.353 235 HB2 TYR 28 HB2 TYR 28 -11.248 -2.486 10.557 236 HB3 TYR 28 HB1 TYR 28 -12.565 -3.639 10.589 237 HD1 TYR 28 HD1 TYR 28 -8.898 -3.300 9.960 238 HD2 TYR 28 HD2 TYR 28 -12.137 -5.954 10.927 239 HE1 TYR 28 HE1 TYR 28 -7.276 -5.113 10.434 240 HE2 TYR 28 HE2 TYR 28 -10.514 -7.763 11.398 241 HH TYR 28 HH TYR 28 -7.734 -8.047 10.395 242 H ALA 29 HN ALA 29 -12.456 -5.599 7.931 243 HA ALA 29 HA ALA 29 -10.045 -5.950 6.185 244 HB1 ALA 29 HB1 ALA 29 -9.693 -7.101 8.276 245 HB2 ALA 29 HB2 ALA 29 -10.078 -8.321 7.063 246 HB3 ALA 29 HB3 ALA 29 -11.309 -7.807 8.217 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 22.995 2.601 -3.920 2 H2 ARG 1 HT2 ARG 1 22.372 4.172 -4.081 3 H3 ARG 1 HT3 ARG 1 21.449 2.833 -4.577 4 HA ARG 1 HA ARG 1 22.224 3.489 -1.771 5 HB2 ARG 1 HB2 ARG 1 20.460 4.850 -3.096 6 HB3 ARG 1 HB1 ARG 1 19.474 3.389 -3.019 7 HG2 ARG 1 HG2 ARG 1 20.223 3.574 -0.420 8 HG3 ARG 1 HG1 ARG 1 20.224 5.282 -0.854 9 HD2 ARG 1 HD2 ARG 1 17.872 3.679 -1.763 10 HD3 ARG 1 HD1 ARG 1 17.982 4.043 -0.031 11 HE ARG 1 HE ARG 1 18.458 6.325 -1.852 12 HH11 ARG 1 HH21 ARG 1 17.688 6.687 1.005 13 HH12 ARG 1 HH22 ARG 1 16.005 7.070 0.896 14 HH21 ARG 1 HH11 ARG 1 15.691 5.896 -2.372 15 HH22 ARG 1 HH12 ARG 1 14.862 6.617 -1.035 16 H LEU 2 HN LEU 2 21.784 1.845 -0.274 17 HA LEU 2 HA LEU 2 20.738 -0.754 -1.365 18 HB2 LEU 2 HB2 LEU 2 23.227 -0.026 -0.148 19 HB3 LEU 2 HB1 LEU 2 22.374 -1.098 0.961 20 HG LEU 2 HG LEU 2 21.950 -2.608 -1.074 21 HD11 LEU 2 HD11 LEU 2 23.615 -2.351 -2.903 22 HD12 LEU 2 HD12 LEU 2 24.153 -0.836 -2.179 23 HD13 LEU 2 HD13 LEU 2 22.514 -0.976 -2.815 24 HD21 LEU 2 HD21 LEU 2 23.631 -3.036 0.745 25 HD22 LEU 2 HD22 LEU 2 24.837 -2.196 -0.229 26 HD23 LEU 2 HD23 LEU 2 24.114 -3.691 -0.819 27 H VAL 3 HN VAL 3 18.947 -1.537 -0.310 28 HA VAL 3 HA VAL 3 18.334 -0.499 2.431 29 HB VAL 3 HB VAL 3 15.897 -0.608 1.658 30 HG11 VAL 3 HG11 VAL 3 16.016 1.603 0.596 31 HG12 VAL 3 HG12 VAL 3 17.738 1.376 0.292 32 HG13 VAL 3 HG13 VAL 3 17.145 1.500 1.948 33 HG21 VAL 3 HG21 VAL 3 16.424 -1.967 -0.423 34 HG22 VAL 3 HG22 VAL 3 17.163 -0.517 -1.103 35 HG23 VAL 3 HG23 VAL 3 15.443 -0.531 -0.717 36 HA PRO 4 HA PRO 4 17.869 -4.833 3.294 37 HB2 PRO 4 HB2 PRO 4 16.932 -4.596 5.849 38 HB3 PRO 4 HB1 PRO 4 18.625 -4.305 5.408 39 HG2 PRO 4 HG2 PRO 4 16.496 -2.381 6.066 40 HG3 PRO 4 HG1 PRO 4 18.247 -2.258 6.286 41 HD2 PRO 4 HD2 PRO 4 16.741 -1.052 4.264 42 HD3 PRO 4 HD1 PRO 4 18.509 -1.210 4.314 43 H GLY 5 HN GLY 5 15.876 -5.991 4.845 44 HA2 GLY 5 HA2 GLY 5 13.659 -6.315 3.164 45 HA3 GLY 5 HA1 GLY 5 13.649 -6.690 4.882 46 H ALA 6 HN ALA 6 14.219 -3.747 5.488 47 HA ALA 6 HA ALA 6 11.644 -2.811 6.085 48 HB1 ALA 6 HB1 ALA 6 14.199 -1.308 5.470 49 HB2 ALA 6 HB2 ALA 6 13.706 -1.930 7.046 50 HB3 ALA 6 HB3 ALA 6 12.806 -0.612 6.296 51 H ALA 7 HN ALA 7 13.422 -2.536 3.066 52 HA ALA 7 HA ALA 7 11.297 -0.786 1.901 53 HB1 ALA 7 HB1 ALA 7 14.019 -1.543 0.806 54 HB2 ALA 7 HB2 ALA 7 13.741 -0.153 1.857 55 HB3 ALA 7 HB3 ALA 7 12.984 -0.220 0.266 56 H TYR 8 HN TYR 8 11.240 -3.891 2.310 57 HA TYR 8 HA TYR 8 10.813 -4.650 -0.556 58 HB2 TYR 8 HB2 TYR 8 11.723 -6.104 1.914 59 HB3 TYR 8 HB1 TYR 8 10.912 -7.014 0.640 60 HD1 TYR 8 HD1 TYR 8 13.838 -4.898 1.436 61 HD2 TYR 8 HD2 TYR 8 11.973 -7.419 -1.492 62 HE1 TYR 8 HE1 TYR 8 15.945 -4.931 0.132 63 HE2 TYR 8 HE2 TYR 8 14.079 -7.455 -2.800 64 HH TYR 8 HH TYR 8 16.344 -5.421 -2.692 65 H ALA 9 HN ALA 9 9.579 -5.537 2.660 66 HA ALA 9 HA ALA 9 6.971 -6.341 1.779 67 HB1 ALA 9 HB1 ALA 9 6.441 -6.251 4.179 68 HB2 ALA 9 HB2 ALA 9 7.875 -5.266 4.470 69 HB3 ALA 9 HB3 ALA 9 8.047 -6.943 3.949 70 H LEU 10 HN LEU 10 8.247 -3.296 2.998 71 HA LEU 10 HA LEU 10 5.864 -1.728 3.145 72 HB2 LEU 10 HB2 LEU 10 8.628 -1.431 3.510 73 HB3 LEU 10 HB1 LEU 10 8.242 -0.297 2.222 74 HG LEU 10 HG LEU 10 6.596 -0.420 4.749 75 HD11 LEU 10 HD11 LEU 10 8.108 1.728 5.209 76 HD12 LEU 10 HD12 LEU 10 9.276 0.816 4.255 77 HD13 LEU 10 HD13 LEU 10 8.616 0.124 5.736 78 HD21 LEU 10 HD21 LEU 10 7.162 1.887 2.863 79 HD22 LEU 10 HD22 LEU 10 5.881 1.768 4.069 80 HD23 LEU 10 HD23 LEU 10 5.819 0.771 2.616 81 H TYR 11 HN TYR 11 8.209 -2.167 0.486 82 HA TYR 11 HA TYR 11 6.990 -0.440 -1.431 83 HB2 TYR 11 HB2 TYR 11 8.880 -2.771 -1.477 84 HB3 TYR 11 HB1 TYR 11 8.278 -2.129 -3.000 85 HD1 TYR 11 HD2 TYR 11 9.148 -0.310 0.180 86 HD2 TYR 11 HD1 TYR 11 10.094 -0.994 -3.958 87 HE1 TYR 11 HE2 TYR 11 10.836 1.497 0.268 88 HE2 TYR 11 HE1 TYR 11 11.783 0.815 -3.864 89 HH TYR 11 HH TYR 11 11.986 3.061 -2.156 90 H GLY 12 HN GLY 12 6.351 -3.799 -0.591 91 HA2 GLY 12 HA2 GLY 12 4.627 -4.376 -2.848 92 HA3 GLY 12 HA1 GLY 12 4.733 -5.325 -1.364 93 H VAL 13 HN VAL 13 4.093 -3.243 0.486 94 HA VAL 13 HA VAL 13 1.182 -3.210 0.218 95 HB VAL 13 HB VAL 13 3.104 -2.093 2.283 96 HG11 VAL 13 HG11 VAL 13 1.099 -0.874 2.611 97 HG12 VAL 13 HG12 VAL 13 0.971 -2.222 3.740 98 HG13 VAL 13 HG13 VAL 13 0.088 -2.264 2.214 99 HG21 VAL 13 HG21 VAL 13 2.167 -4.089 3.595 100 HG22 VAL 13 HG22 VAL 13 3.256 -4.482 2.266 101 HG23 VAL 13 HG23 VAL 13 1.514 -4.662 2.060 102 H TRP 14 HN TRP 14 3.713 -1.037 -0.686 103 HA TRP 14 HA TRP 14 2.490 1.490 -0.329 104 HB2 TRP 14 HB2 TRP 14 4.858 1.015 -1.017 105 HB3 TRP 14 HB1 TRP 14 4.274 0.620 -2.623 106 HD1 TRP 14 HD1 TRP 14 4.775 2.582 -4.153 107 HE1 TRP 14 HE1 TRP 14 4.499 5.141 -4.023 108 HE3 TRP 14 HE3 TRP 14 3.118 3.048 0.653 109 HZ2 TRP 14 HZ2 TRP 14 3.683 7.126 -2.127 110 HZ3 TRP 14 HZ3 TRP 14 2.600 5.278 1.595 111 HH2 TRP 14 HH2 TRP 14 2.879 7.316 0.214 112 HA PRO 15 HA PRO 15 0.444 1.159 -4.637 113 HB2 PRO 15 HB2 PRO 15 0.402 -1.253 -5.924 114 HB3 PRO 15 HB1 PRO 15 1.698 -0.058 -6.146 115 HG2 PRO 15 HG2 PRO 15 1.669 -2.522 -4.486 116 HG3 PRO 15 HG1 PRO 15 2.979 -1.822 -5.453 117 HD2 PRO 15 HD2 PRO 15 2.821 -1.584 -2.750 118 HD3 PRO 15 HD1 PRO 15 3.625 -0.393 -3.792 119 H LEU 16 HN LEU 16 0.235 -1.763 -2.589 120 HA LEU 16 HA LEU 16 -2.551 -2.321 -3.127 121 HB2 LEU 16 HB2 LEU 16 -0.449 -3.136 -1.175 122 HB3 LEU 16 HB1 LEU 16 -2.115 -3.376 -0.664 123 HG LEU 16 HG LEU 16 -1.246 -5.391 -1.756 124 HD11 LEU 16 HD11 LEU 16 -3.673 -4.424 -2.121 125 HD12 LEU 16 HD12 LEU 16 -3.132 -5.836 -3.027 126 HD13 LEU 16 HD13 LEU 16 -3.126 -4.247 -3.789 127 HD21 LEU 16 HD21 LEU 16 0.406 -4.239 -3.223 128 HD22 LEU 16 HD22 LEU 16 -0.923 -3.645 -4.219 129 HD23 LEU 16 HD23 LEU 16 -0.603 -5.376 -4.117 130 H LEU 17 HN LEU 17 -0.908 -0.593 -0.495 131 HA LEU 17 HA LEU 17 -3.306 0.243 0.869 132 HB2 LEU 17 HB2 LEU 17 -0.970 0.180 1.811 133 HB3 LEU 17 HB1 LEU 17 -0.570 1.560 0.790 134 HG LEU 17 HG LEU 17 -3.011 2.025 2.330 135 HD11 LEU 17 HD11 LEU 17 -0.445 1.716 3.913 136 HD12 LEU 17 HD12 LEU 17 -1.728 0.506 3.904 137 HD13 LEU 17 HD13 LEU 17 -2.045 2.123 4.532 138 HD21 LEU 17 HD21 LEU 17 -0.316 3.428 2.204 139 HD22 LEU 17 HD22 LEU 17 -1.793 4.104 2.891 140 HD23 LEU 17 HD23 LEU 17 -1.700 3.768 1.163 141 H LEU 18 HN LEU 18 -1.360 1.624 -1.727 142 HA LEU 18 HA LEU 18 -2.656 4.191 -1.892 143 HB2 LEU 18 HB2 LEU 18 -0.737 2.574 -3.382 144 HB3 LEU 18 HB1 LEU 18 -1.827 3.405 -4.479 145 HG LEU 18 HG LEU 18 -1.286 5.556 -3.490 146 HD11 LEU 18 HD11 LEU 18 0.652 5.536 -1.750 147 HD12 LEU 18 HD12 LEU 18 0.175 3.863 -1.466 148 HD13 LEU 18 HD13 LEU 18 -0.977 5.167 -1.186 149 HD21 LEU 18 HD21 LEU 18 1.222 3.915 -3.966 150 HD22 LEU 18 HD22 LEU 18 1.116 5.673 -4.044 151 HD23 LEU 18 HD23 LEU 18 0.249 4.687 -5.219 152 H LEU 19 HN LEU 19 -3.364 0.983 -3.285 153 HA LEU 19 HA LEU 19 -5.619 1.875 -4.904 154 HB2 LEU 19 HB2 LEU 19 -4.029 -0.283 -4.914 155 HB3 LEU 19 HB1 LEU 19 -5.312 -0.932 -3.902 156 HG LEU 19 HG LEU 19 -6.035 0.473 -6.460 157 HD11 LEU 19 HD11 LEU 19 -4.297 -1.167 -7.087 158 HD12 LEU 19 HD12 LEU 19 -5.884 -1.671 -7.664 159 HD13 LEU 19 HD13 LEU 19 -5.185 -2.432 -6.236 160 HD21 LEU 19 HD21 LEU 19 -7.214 -1.742 -4.756 161 HD22 LEU 19 HD22 LEU 19 -7.863 -1.295 -6.332 162 HD23 LEU 19 HD23 LEU 19 -7.866 -0.124 -5.015 163 H LEU 20 HN LEU 20 -5.183 0.283 -1.786 164 HA LEU 20 HA LEU 20 -7.931 -0.042 -1.048 165 HB2 LEU 20 HB2 LEU 20 -5.274 -0.249 0.139 166 HB3 LEU 20 HB1 LEU 20 -6.438 0.374 1.298 167 HG LEU 20 HG LEU 20 -6.359 -2.064 1.422 168 HD11 LEU 20 HD11 LEU 20 -8.658 -2.448 1.447 169 HD12 LEU 20 HD12 LEU 20 -8.935 -1.508 -0.017 170 HD13 LEU 20 HD13 LEU 20 -8.590 -0.688 1.506 171 HD21 LEU 20 HD21 LEU 20 -6.786 -3.494 -0.433 172 HD22 LEU 20 HD22 LEU 20 -5.646 -2.291 -1.036 173 HD23 LEU 20 HD23 LEU 20 -7.359 -2.159 -1.431 174 H LEU 21 HN LEU 21 -5.693 2.707 -0.631 175 HA LEU 21 HA LEU 21 -7.255 4.311 1.116 176 HB2 LEU 21 HB2 LEU 21 -4.843 4.592 0.325 177 HB3 LEU 21 HB1 LEU 21 -5.506 5.304 -1.144 178 HG LEU 21 HG LEU 21 -6.737 6.962 0.311 179 HD11 LEU 21 HD11 LEU 21 -5.111 5.539 2.421 180 HD12 LEU 21 HD12 LEU 21 -6.829 5.934 2.440 181 HD13 LEU 21 HD13 LEU 21 -5.631 7.211 2.638 182 HD21 LEU 21 HD21 LEU 21 -4.707 8.312 0.793 183 HD22 LEU 21 HD22 LEU 21 -4.628 7.563 -0.801 184 HD23 LEU 21 HD23 LEU 21 -3.710 6.881 0.541 185 H ALA 22 HN ALA 22 -7.423 3.924 -2.390 186 HA ALA 22 HA ALA 22 -9.623 5.922 -2.582 187 HB1 ALA 22 HB1 ALA 22 -9.142 5.913 -4.895 188 HB2 ALA 22 HB2 ALA 22 -8.412 4.310 -4.826 189 HB3 ALA 22 HB3 ALA 22 -7.562 5.695 -4.143 190 H LEU 23 HN LEU 23 -9.758 2.981 -1.430 191 HA LEU 23 HA LEU 23 -12.134 2.136 -3.030 192 HB2 LEU 23 HB2 LEU 23 -9.888 0.832 -3.195 193 HB3 LEU 23 HB1 LEU 23 -10.287 0.254 -1.580 194 HG LEU 23 HG LEU 23 -12.469 0.092 -3.589 195 HD11 LEU 23 HD11 LEU 23 -10.554 -0.595 -4.954 196 HD12 LEU 23 HD12 LEU 23 -11.541 -2.000 -4.548 197 HD13 LEU 23 HD13 LEU 23 -10.029 -1.707 -3.689 198 HD21 LEU 23 HD21 LEU 23 -11.484 -2.173 -1.893 199 HD22 LEU 23 HD22 LEU 23 -13.139 -1.705 -2.285 200 HD23 LEU 23 HD23 LEU 23 -12.228 -0.795 -1.080 201 HA PRO 24 HA PRO 24 -13.960 2.344 1.022 202 HB2 PRO 24 HB2 PRO 24 -16.482 1.615 0.264 203 HB3 PRO 24 HB1 PRO 24 -15.794 3.218 -0.051 204 HG2 PRO 24 HG2 PRO 24 -16.300 1.009 -1.905 205 HG3 PRO 24 HG1 PRO 24 -16.137 2.741 -2.223 206 HD2 PRO 24 HD2 PRO 24 -14.193 0.713 -2.640 207 HD3 PRO 24 HD1 PRO 24 -13.983 2.462 -2.853 208 HA PRO 25 HA PRO 25 -13.670 -1.931 2.265 209 HB2 PRO 25 HB2 PRO 25 -14.510 -1.659 4.847 210 HB3 PRO 25 HB1 PRO 25 -12.901 -1.152 4.294 211 HG2 PRO 25 HG2 PRO 25 -15.316 0.489 4.823 212 HG3 PRO 25 HG1 PRO 25 -13.611 0.853 5.130 213 HD2 PRO 25 HD2 PRO 25 -15.027 1.856 3.023 214 HD3 PRO 25 HD1 PRO 25 -13.262 1.637 3.022 215 H ARG 26 HN ARG 26 -15.189 -3.572 3.467 216 HA ARG 26 HA ARG 26 -17.987 -3.155 2.477 217 HB2 ARG 26 HB2 ARG 26 -16.077 -5.430 2.601 218 HB3 ARG 26 HB1 ARG 26 -17.775 -5.821 2.863 219 HG2 ARG 26 HG2 ARG 26 -16.895 -4.111 0.532 220 HG3 ARG 26 HG1 ARG 26 -16.920 -5.872 0.430 221 HD2 ARG 26 HD2 ARG 26 -19.358 -5.748 1.226 222 HD3 ARG 26 HD1 ARG 26 -19.265 -4.009 0.889 223 HE ARG 26 HE ARG 26 -19.144 -6.160 -1.132 224 HH11 ARG 26 HH21 ARG 26 -20.705 -3.449 -1.071 225 HH12 ARG 26 HH22 ARG 26 -19.900 -2.608 -2.350 226 HH21 ARG 26 HH11 ARG 26 -17.225 -4.839 -2.480 227 HH22 ARG 26 HH12 ARG 26 -17.918 -3.410 -3.166 228 H ALA 27 HN ALA 27 -16.230 -3.238 5.400 229 HA ALA 27 HA ALA 27 -18.696 -4.001 6.928 230 HB1 ALA 27 HB1 ALA 27 -16.985 -5.739 7.065 231 HB2 ALA 27 HB2 ALA 27 -17.070 -4.904 8.617 232 HB3 ALA 27 HB3 ALA 27 -15.760 -4.544 7.493 233 H TYR 28 HN TYR 28 -18.635 -1.437 6.333 234 HA TYR 28 HA TYR 28 -17.347 -0.015 8.639 235 HB2 TYR 28 HB2 TYR 28 -17.197 1.921 7.164 236 HB3 TYR 28 HB1 TYR 28 -16.452 0.525 6.397 237 HD1 TYR 28 HD2 TYR 28 -19.441 2.723 6.424 238 HD2 TYR 28 HD1 TYR 28 -17.371 -0.438 4.383 239 HE1 TYR 28 HE2 TYR 28 -20.940 3.002 4.470 240 HE2 TYR 28 HE1 TYR 28 -18.871 -0.159 2.431 241 HH TYR 28 HH TYR 28 -20.576 2.390 1.768 242 H ALA 29 HN ALA 29 -20.410 -0.888 7.334 243 HA ALA 29 HA ALA 29 -21.758 1.419 8.673 244 HB1 ALA 29 HB1 ALA 29 -22.129 0.725 6.213 245 HB2 ALA 29 HB2 ALA 29 -23.568 0.978 7.201 246 HB3 ALA 29 HB3 ALA 29 -23.005 -0.659 6.867 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 23.407 0.948 -0.268 2 H2 ARG 1 HT2 ARG 1 22.855 2.039 -1.441 3 H3 ARG 1 HT3 ARG 1 21.823 0.823 -0.856 4 HA ARG 1 HA ARG 1 22.956 2.910 0.936 5 HB2 ARG 1 HB2 ARG 1 20.905 3.049 -1.178 6 HB3 ARG 1 HB1 ARG 1 20.359 3.649 0.386 7 HG2 ARG 1 HG2 ARG 1 22.798 4.820 0.288 8 HG3 ARG 1 HG1 ARG 1 22.438 4.740 -1.436 9 HD2 ARG 1 HD2 ARG 1 21.539 6.836 -0.702 10 HD3 ARG 1 HD1 ARG 1 20.138 5.755 -0.827 11 HE ARG 1 HE ARG 1 21.301 5.555 1.806 12 HH11 ARG 1 HH11 ARG 1 21.111 8.546 1.359 13 HH12 ARG 1 HH12 ARG 1 19.521 8.887 1.951 14 HH21 ARG 1 HH21 ARG 1 18.506 5.552 1.882 15 HH22 ARG 1 HH22 ARG 1 18.030 7.174 2.251 16 H LEU 2 HN LEU 2 22.589 0.116 1.499 17 HA LEU 2 HA LEU 2 21.646 -1.317 3.080 18 HB2 LEU 2 HB2 LEU 2 21.007 1.445 4.067 19 HB3 LEU 2 HB1 LEU 2 20.334 0.056 4.914 20 HG LEU 2 HG LEU 2 22.894 -0.780 4.656 21 HD11 LEU 2 HD11 LEU 2 24.405 1.100 5.089 22 HD12 LEU 2 HD12 LEU 2 23.057 2.232 4.984 23 HD13 LEU 2 HD13 LEU 2 23.573 1.341 3.552 24 HD21 LEU 2 HD21 LEU 2 21.686 -0.736 6.757 25 HD22 LEU 2 HD22 LEU 2 21.719 1.027 6.791 26 HD23 LEU 2 HD23 LEU 2 23.214 0.112 6.991 27 H VAL 3 HN VAL 3 20.145 -2.572 1.968 28 HA VAL 3 HA VAL 3 17.452 -1.438 1.423 29 HB VAL 3 HB VAL 3 17.161 -3.557 0.115 30 HG11 VAL 3 HG11 VAL 3 19.712 -2.191 -0.717 31 HG12 VAL 3 HG12 VAL 3 18.168 -1.339 -0.743 32 HG13 VAL 3 HG13 VAL 3 18.394 -2.785 -1.727 33 HG21 VAL 3 HG21 VAL 3 19.344 -4.475 1.607 34 HG22 VAL 3 HG22 VAL 3 20.019 -4.177 0.006 35 HG23 VAL 3 HG23 VAL 3 18.645 -5.264 0.194 36 HA PRO 4 HA PRO 4 16.133 -3.611 5.131 37 HB2 PRO 4 HB2 PRO 4 13.666 -2.449 5.280 38 HB3 PRO 4 HB1 PRO 4 15.149 -1.632 5.811 39 HG2 PRO 4 HG2 PRO 4 13.554 -1.231 3.360 40 HG3 PRO 4 HG1 PRO 4 14.516 -0.074 4.290 41 HD2 PRO 4 HD2 PRO 4 15.287 -1.268 1.906 42 HD3 PRO 4 HD1 PRO 4 16.370 -0.464 3.061 43 H GLY 5 HN GLY 5 16.004 -5.696 4.056 44 HA2 GLY 5 HA2 GLY 5 14.809 -7.598 3.329 45 HA3 GLY 5 HA1 GLY 5 13.338 -6.691 3.627 46 H ALA 6 HN ALA 6 15.890 -5.625 1.451 47 HA ALA 6 HA ALA 6 15.812 -5.040 -0.831 48 HB1 ALA 6 HB1 ALA 6 16.042 -7.405 -1.100 49 HB2 ALA 6 HB2 ALA 6 14.755 -6.928 -2.206 50 HB3 ALA 6 HB3 ALA 6 14.357 -7.691 -0.668 51 H ALA 7 HN ALA 7 13.870 -3.710 0.754 52 HA ALA 7 HA ALA 7 11.973 -2.362 0.545 53 HB1 ALA 7 HB1 ALA 7 11.841 -3.162 -2.349 54 HB2 ALA 7 HB2 ALA 7 13.189 -2.192 -1.756 55 HB3 ALA 7 HB3 ALA 7 11.539 -1.587 -1.614 56 H TYR 8 HN TYR 8 11.676 -5.474 0.891 57 HA TYR 8 HA TYR 8 9.185 -6.194 -0.374 58 HB2 TYR 8 HB2 TYR 8 11.037 -7.289 1.641 59 HB3 TYR 8 HB1 TYR 8 9.363 -7.763 1.891 60 HD1 TYR 8 HD1 TYR 8 8.105 -8.276 -0.502 61 HD2 TYR 8 HD2 TYR 8 12.291 -8.763 0.336 62 HE1 TYR 8 HE1 TYR 8 8.288 -9.915 -2.353 63 HE2 TYR 8 HE2 TYR 8 12.470 -10.398 -1.512 64 HH TYR 8 HH TYR 8 10.956 -10.741 -3.808 65 H ALA 9 HN ALA 9 9.977 -4.671 2.702 66 HA ALA 9 HA ALA 9 7.170 -4.640 3.609 67 HB1 ALA 9 HB1 ALA 9 9.189 -4.890 5.100 68 HB2 ALA 9 HB2 ALA 9 8.112 -3.579 5.579 69 HB3 ALA 9 HB3 ALA 9 9.609 -3.220 4.719 70 H LEU 10 HN LEU 10 8.578 -2.984 1.192 71 HA LEU 10 HA LEU 10 7.262 -0.360 1.793 72 HB2 LEU 10 HB2 LEU 10 9.876 -0.842 1.345 73 HB3 LEU 10 HB1 LEU 10 9.345 -0.719 -0.325 74 HG LEU 10 HG LEU 10 8.781 1.378 1.792 75 HD11 LEU 10 HD11 LEU 10 11.243 0.961 1.038 76 HD12 LEU 10 HD12 LEU 10 10.617 2.610 0.995 77 HD13 LEU 10 HD13 LEU 10 10.724 1.669 -0.493 78 HD21 LEU 10 HD21 LEU 10 7.149 1.604 0.090 79 HD22 LEU 10 HD22 LEU 10 8.287 1.156 -1.182 80 HD23 LEU 10 HD23 LEU 10 8.414 2.732 -0.401 81 H TYR 11 HN TYR 11 8.174 -2.587 -0.849 82 HA TYR 11 HA TYR 11 6.532 -1.570 -2.912 83 HB2 TYR 11 HB2 TYR 11 7.979 -4.062 -2.259 84 HB3 TYR 11 HB1 TYR 11 6.703 -4.237 -3.460 85 HD1 TYR 11 HD1 TYR 11 9.875 -2.527 -2.651 86 HD2 TYR 11 HD2 TYR 11 6.857 -3.171 -5.636 87 HE1 TYR 11 HE1 TYR 11 11.351 -1.502 -4.359 88 HE2 TYR 11 HE2 TYR 11 8.332 -2.146 -7.345 89 HH TYR 11 HH TYR 11 10.545 -0.253 -6.968 90 H GLY 12 HN GLY 12 5.608 -3.496 -0.157 91 HA2 GLY 12 HA2 GLY 12 2.948 -4.101 -1.341 92 HA3 GLY 12 HA1 GLY 12 3.598 -4.815 0.136 93 H VAL 13 HN VAL 13 4.462 -2.345 1.371 94 HA VAL 13 HA VAL 13 1.985 -1.518 2.593 95 HB VAL 13 HB VAL 13 4.435 -1.679 3.492 96 HG11 VAL 13 HG11 VAL 13 5.290 0.012 1.796 97 HG12 VAL 13 HG12 VAL 13 5.722 0.335 3.473 98 HG13 VAL 13 HG13 VAL 13 4.417 1.244 2.708 99 HG21 VAL 13 HG21 VAL 13 2.832 0.753 4.297 100 HG22 VAL 13 HG22 VAL 13 3.856 -0.261 5.315 101 HG23 VAL 13 HG23 VAL 13 2.330 -0.891 4.695 102 H TRP 14 HN TRP 14 4.002 -0.090 0.084 103 HA TRP 14 HA TRP 14 2.882 2.534 0.036 104 HB2 TRP 14 HB2 TRP 14 4.964 1.823 -1.086 105 HB3 TRP 14 HB1 TRP 14 4.042 0.846 -2.203 106 HD1 TRP 14 HD1 TRP 14 4.731 2.171 -4.327 107 HE1 TRP 14 HE1 TRP 14 4.121 4.498 -5.241 108 HE3 TRP 14 HE3 TRP 14 2.597 4.244 -0.163 109 HZ2 TRP 14 HZ2 TRP 14 2.894 6.916 -4.339 110 HZ3 TRP 14 HZ3 TRP 14 1.719 6.549 -0.226 111 HH2 TRP 14 HH2 TRP 14 1.865 7.893 -2.303 112 HA PRO 15 HA PRO 15 -0.234 0.986 -3.293 113 HB2 PRO 15 HB2 PRO 15 -0.582 -1.714 -3.584 114 HB3 PRO 15 HB1 PRO 15 0.580 -0.772 -4.543 115 HG2 PRO 15 HG2 PRO 15 1.053 -2.466 -2.142 116 HG3 PRO 15 HG1 PRO 15 2.018 -2.306 -3.620 117 HD2 PRO 15 HD2 PRO 15 2.695 -1.083 -1.320 118 HD3 PRO 15 HD1 PRO 15 3.051 -0.374 -2.908 119 H LEU 16 HN LEU 16 0.175 -0.749 -0.239 120 HA LEU 16 HA LEU 16 -2.590 -1.459 0.187 121 HB2 LEU 16 HB2 LEU 16 -0.044 -1.456 1.621 122 HB3 LEU 16 HB1 LEU 16 -1.367 -0.984 2.679 123 HG LEU 16 HG LEU 16 -0.919 -3.455 2.633 124 HD11 LEU 16 HD11 LEU 16 -3.319 -4.088 2.345 125 HD12 LEU 16 HD12 LEU 16 -3.622 -2.492 1.656 126 HD13 LEU 16 HD13 LEU 16 -3.096 -2.644 3.333 127 HD21 LEU 16 HD21 LEU 16 -0.767 -3.097 -0.117 128 HD22 LEU 16 HD22 LEU 16 -2.348 -3.847 0.096 129 HD23 LEU 16 HD23 LEU 16 -0.902 -4.651 0.705 130 H LEU 17 HN LEU 17 -0.643 1.368 1.056 131 HA LEU 17 HA LEU 17 -2.728 2.827 2.427 132 HB2 LEU 17 HB2 LEU 17 -0.097 3.487 1.094 133 HB3 LEU 17 HB1 LEU 17 -1.129 4.789 1.682 134 HG LEU 17 HG LEU 17 -0.378 2.465 3.457 135 HD11 LEU 17 HD11 LEU 17 1.397 4.026 4.378 136 HD12 LEU 17 HD12 LEU 17 1.158 5.027 2.945 137 HD13 LEU 17 HD13 LEU 17 1.744 3.373 2.776 138 HD21 LEU 17 HD21 LEU 17 -2.243 3.934 4.156 139 HD22 LEU 17 HD22 LEU 17 -1.195 5.343 3.992 140 HD23 LEU 17 HD23 LEU 17 -0.855 4.130 5.226 141 H LEU 18 HN LEU 18 -1.634 2.610 -0.909 142 HA LEU 18 HA LEU 18 -3.356 4.628 -2.056 143 HB2 LEU 18 HB2 LEU 18 -1.556 2.434 -2.895 144 HB3 LEU 18 HB1 LEU 18 -2.884 2.708 -4.016 145 HG LEU 18 HG LEU 18 -2.275 5.186 -3.930 146 HD11 LEU 18 HD11 LEU 18 -0.833 4.738 -1.802 147 HD12 LEU 18 HD12 LEU 18 -0.222 5.866 -3.011 148 HD13 LEU 18 HD13 LEU 18 0.404 4.219 -2.946 149 HD21 LEU 18 HD21 LEU 18 -1.689 3.913 -5.884 150 HD22 LEU 18 HD22 LEU 18 -0.364 3.113 -5.039 151 HD23 LEU 18 HD23 LEU 18 -0.251 4.828 -5.432 152 H LEU 19 HN LEU 19 -3.627 1.122 -1.497 153 HA LEU 19 HA LEU 19 -6.235 0.730 -2.653 154 HB2 LEU 19 HB2 LEU 19 -4.186 -0.739 -1.225 155 HB3 LEU 19 HB1 LEU 19 -5.762 -1.134 -0.562 156 HG LEU 19 HG LEU 19 -5.150 -2.656 -2.405 157 HD11 LEU 19 HD11 LEU 19 -7.548 -1.955 -1.985 158 HD12 LEU 19 HD12 LEU 19 -7.216 -2.538 -3.615 159 HD13 LEU 19 HD13 LEU 19 -7.369 -0.807 -3.313 160 HD21 LEU 19 HD21 LEU 19 -3.858 -0.681 -3.577 161 HD22 LEU 19 HD22 LEU 19 -5.413 -0.378 -4.351 162 HD23 LEU 19 HD23 LEU 19 -4.614 -1.935 -4.560 163 H LEU 20 HN LEU 20 -5.071 1.749 0.485 164 HA LEU 20 HA LEU 20 -7.628 1.567 1.884 165 HB2 LEU 20 HB2 LEU 20 -4.829 2.216 2.403 166 HB3 LEU 20 HB1 LEU 20 -5.884 3.377 3.189 167 HG LEU 20 HG LEU 20 -5.434 1.526 4.704 168 HD11 LEU 20 HD11 LEU 20 -7.773 2.573 4.528 169 HD12 LEU 20 HD12 LEU 20 -7.651 1.020 5.354 170 HD13 LEU 20 HD13 LEU 20 -8.245 1.090 3.696 171 HD21 LEU 20 HD21 LEU 20 -6.194 -0.101 2.303 172 HD22 LEU 20 HD22 LEU 20 -6.565 -0.746 3.901 173 HD23 LEU 20 HD23 LEU 20 -4.899 -0.361 3.471 174 H LEU 21 HN LEU 21 -5.710 4.149 0.314 175 HA LEU 21 HA LEU 21 -7.425 6.361 0.937 176 HB2 LEU 21 HB2 LEU 21 -5.031 6.344 0.035 177 HB3 LEU 21 HB1 LEU 21 -5.724 5.973 -1.542 178 HG LEU 21 HG LEU 21 -7.023 8.247 -0.190 179 HD11 LEU 21 HD11 LEU 21 -4.659 8.556 0.545 180 HD12 LEU 21 HD12 LEU 21 -5.198 9.822 -0.558 181 HD13 LEU 21 HD13 LEU 21 -4.158 8.525 -1.146 182 HD21 LEU 21 HD21 LEU 21 -5.705 7.960 -2.912 183 HD22 LEU 21 HD22 LEU 21 -6.861 9.201 -2.429 184 HD23 LEU 21 HD23 LEU 21 -7.378 7.520 -2.567 185 H ALA 22 HN ALA 22 -7.247 4.198 -1.856 186 HA ALA 22 HA ALA 22 -9.925 5.161 -2.804 187 HB1 ALA 22 HB1 ALA 22 -9.115 4.133 -4.968 188 HB2 ALA 22 HB2 ALA 22 -7.585 3.778 -4.165 189 HB3 ALA 22 HB3 ALA 22 -8.095 5.452 -4.390 190 H LEU 23 HN LEU 23 -9.987 3.471 -0.623 191 HA LEU 23 HA LEU 23 -10.021 0.674 -1.257 192 HB2 LEU 23 HB2 LEU 23 -10.515 0.427 0.988 193 HB3 LEU 23 HB1 LEU 23 -9.811 2.032 0.990 194 HG LEU 23 HG LEU 23 -12.798 1.609 0.737 195 HD11 LEU 23 HD11 LEU 23 -12.185 0.517 2.796 196 HD12 LEU 23 HD12 LEU 23 -12.850 2.098 3.209 197 HD13 LEU 23 HD13 LEU 23 -11.106 1.841 3.236 198 HD21 LEU 23 HD21 LEU 23 -12.572 3.939 1.961 199 HD22 LEU 23 HD22 LEU 23 -12.322 3.843 0.219 200 HD23 LEU 23 HD23 LEU 23 -10.936 3.904 1.307 201 HA PRO 24 HA PRO 24 -14.056 0.422 -3.060 202 HB2 PRO 24 HB2 PRO 24 -14.134 -2.300 -3.254 203 HB3 PRO 24 HB1 PRO 24 -13.124 -1.280 -4.293 204 HG2 PRO 24 HG2 PRO 24 -12.343 -3.070 -2.129 205 HG3 PRO 24 HG1 PRO 24 -11.376 -2.401 -3.449 206 HD2 PRO 24 HD2 PRO 24 -11.486 -1.542 -0.720 207 HD3 PRO 24 HD1 PRO 24 -10.488 -0.890 -2.038 208 HA PRO 25 HA PRO 25 -17.088 -0.581 0.011 209 HB2 PRO 25 HB2 PRO 25 -18.956 -2.116 -1.269 210 HB3 PRO 25 HB1 PRO 25 -18.765 -0.373 -1.557 211 HG2 PRO 25 HG2 PRO 25 -17.759 -2.669 -3.162 212 HG3 PRO 25 HG1 PRO 25 -18.482 -1.144 -3.704 213 HD2 PRO 25 HD2 PRO 25 -15.824 -1.579 -3.759 214 HD3 PRO 25 HD1 PRO 25 -16.524 0.030 -3.474 215 H ARG 26 HN ARG 26 -18.284 -2.489 1.127 216 HA ARG 26 HA ARG 26 -16.347 -4.635 1.659 217 HB2 ARG 26 HB2 ARG 26 -18.954 -3.662 2.785 218 HB3 ARG 26 HB1 ARG 26 -18.359 -5.257 3.246 219 HG2 ARG 26 HG2 ARG 26 -16.516 -4.410 4.358 220 HG3 ARG 26 HG1 ARG 26 -16.440 -2.963 3.355 221 HD2 ARG 26 HD2 ARG 26 -18.940 -3.082 4.867 222 HD3 ARG 26 HD1 ARG 26 -17.518 -3.096 5.928 223 HE ARG 26 HE ARG 26 -16.846 -0.969 5.029 224 HH11 ARG 26 HH11 ARG 26 -19.873 -0.588 5.279 225 HH12 ARG 26 HH12 ARG 26 -20.246 0.147 3.758 226 HH21 ARG 26 HH21 ARG 26 -17.207 -0.758 2.301 227 HH22 ARG 26 HH22 ARG 26 -18.719 0.049 2.050 228 H ALA 27 HN ALA 27 -19.146 -4.268 -0.381 229 HA ALA 27 HA ALA 27 -19.006 -7.140 -1.122 230 HB1 ALA 27 HB1 ALA 27 -21.443 -7.344 -0.868 231 HB2 ALA 27 HB2 ALA 27 -21.549 -5.659 -0.358 232 HB3 ALA 27 HB3 ALA 27 -20.729 -6.840 0.664 233 H TYR 28 HN TYR 28 -17.909 -5.837 -2.915 234 HA TYR 28 HA TYR 28 -19.445 -4.074 -4.607 235 HB2 TYR 28 HB2 TYR 28 -17.503 -4.092 -5.999 236 HB3 TYR 28 HB1 TYR 28 -16.923 -4.221 -4.346 237 HD1 TYR 28 HD1 TYR 28 -16.121 -6.457 -3.479 238 HD2 TYR 28 HD2 TYR 28 -17.174 -5.830 -7.594 239 HE1 TYR 28 HE1 TYR 28 -14.930 -8.536 -4.101 240 HE2 TYR 28 HE2 TYR 28 -15.983 -7.908 -8.215 241 HH TYR 28 HH TYR 28 -13.822 -9.280 -6.797 242 H ALA 29 HN ALA 29 -18.766 -7.582 -4.807 243 HA ALA 29 HA ALA 29 -19.690 -9.277 -6.131 244 HB1 ALA 29 HB1 ALA 29 -22.061 -7.398 -6.080 245 HB2 ALA 29 HB2 ALA 29 -21.570 -8.407 -4.719 246 HB3 ALA 29 HB3 ALA 29 -22.100 -9.155 -6.226 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 14.784 2.772 -2.703 2 H2 ARG 1 HT2 ARG 1 15.636 3.031 -1.255 3 H3 ARG 1 HT3 ARG 1 14.993 1.499 -1.606 4 HA ARG 1 HA ARG 1 16.527 1.209 -3.444 5 HB2 ARG 1 HB2 ARG 1 16.397 3.767 -3.829 6 HB3 ARG 1 HB1 ARG 1 17.699 3.877 -2.643 7 HG2 ARG 1 HG2 ARG 1 19.028 2.265 -4.028 8 HG3 ARG 1 HG1 ARG 1 17.757 2.327 -5.249 9 HD2 ARG 1 HD2 ARG 1 18.789 4.139 -6.127 10 HD3 ARG 1 HD1 ARG 1 18.369 5.028 -4.652 11 HE ARG 1 HE ARG 1 20.810 3.314 -4.628 12 HH11 ARG 1 HH11 ARG 1 20.146 5.206 -2.387 13 HH12 ARG 1 HH12 ARG 1 21.151 6.568 -2.752 14 HH21 ARG 1 HH21 ARG 1 21.734 5.581 -6.042 15 HH22 ARG 1 HH22 ARG 1 22.056 6.782 -4.839 16 H LEU 2 HN LEU 2 18.326 -0.001 -2.890 17 HA LEU 2 HA LEU 2 19.877 -1.104 -1.517 18 HB2 LEU 2 HB2 LEU 2 20.238 1.831 -0.871 19 HB3 LEU 2 HB1 LEU 2 21.319 0.592 -0.237 20 HG LEU 2 HG LEU 2 20.730 0.783 -3.192 21 HD11 LEU 2 HD11 LEU 2 22.985 2.159 -1.702 22 HD12 LEU 2 HD12 LEU 2 21.585 2.983 -2.388 23 HD13 LEU 2 HD13 LEU 2 22.730 2.160 -3.447 24 HD21 LEU 2 HD21 LEU 2 21.798 -1.275 -2.357 25 HD22 LEU 2 HD22 LEU 2 23.046 -0.317 -1.560 26 HD23 LEU 2 HD23 LEU 2 22.942 -0.342 -3.320 27 H VAL 3 HN VAL 3 17.685 -1.833 -0.409 28 HA VAL 3 HA VAL 3 18.029 -1.437 2.519 29 HB VAL 3 HB VAL 3 15.415 -1.277 2.553 30 HG11 VAL 3 HG11 VAL 3 17.035 1.091 1.587 31 HG12 VAL 3 HG12 VAL 3 17.028 0.498 3.248 32 HG13 VAL 3 HG13 VAL 3 15.549 1.140 2.535 33 HG21 VAL 3 HG21 VAL 3 15.955 -0.060 -0.174 34 HG22 VAL 3 HG22 VAL 3 14.399 -0.256 0.624 35 HG23 VAL 3 HG23 VAL 3 15.268 -1.671 0.037 36 HA PRO 4 HA PRO 4 16.984 -5.740 2.502 37 HB2 PRO 4 HB2 PRO 4 16.429 -6.074 5.153 38 HB3 PRO 4 HB1 PRO 4 18.067 -5.800 4.534 39 HG2 PRO 4 HG2 PRO 4 16.304 -3.990 6.011 40 HG3 PRO 4 HG1 PRO 4 18.065 -3.983 5.855 41 HD2 PRO 4 HD2 PRO 4 16.200 -2.332 4.496 42 HD3 PRO 4 HD1 PRO 4 17.960 -2.406 4.264 43 H GLY 5 HN GLY 5 15.118 -7.115 4.009 44 HA2 GLY 5 HA2 GLY 5 12.671 -6.847 2.668 45 HA3 GLY 5 HA1 GLY 5 12.855 -7.656 4.221 46 H ALA 6 HN ALA 6 13.758 -5.174 5.588 47 HA ALA 6 HA ALA 6 11.410 -4.188 6.724 48 HB1 ALA 6 HB1 ALA 6 12.879 -2.214 7.316 49 HB2 ALA 6 HB2 ALA 6 14.099 -2.892 6.237 50 HB3 ALA 6 HB3 ALA 6 13.591 -3.790 7.668 51 H ALA 7 HN ALA 7 13.070 -2.994 3.845 52 HA ALA 7 HA ALA 7 10.936 -0.960 3.392 53 HB1 ALA 7 HB1 ALA 7 13.426 -0.411 3.429 54 HB2 ALA 7 HB2 ALA 7 12.553 0.117 1.989 55 HB3 ALA 7 HB3 ALA 7 13.548 -1.337 1.933 56 H TYR 8 HN TYR 8 12.454 -3.803 1.933 57 HA TYR 8 HA TYR 8 11.287 -3.738 -0.655 58 HB2 TYR 8 HB2 TYR 8 12.543 -5.689 1.145 59 HB3 TYR 8 HB1 TYR 8 11.382 -6.417 0.039 60 HD1 TYR 8 HD1 TYR 8 11.638 -6.076 -2.440 61 HD2 TYR 8 HD2 TYR 8 14.640 -4.847 0.375 62 HE1 TYR 8 HE1 TYR 8 13.301 -5.928 -4.275 63 HE2 TYR 8 HE2 TYR 8 16.300 -4.700 -1.459 64 HH TYR 8 HH TYR 8 15.796 -4.334 -4.370 65 H ALA 9 HN ALA 9 10.058 -5.233 2.318 66 HA ALA 9 HA ALA 9 7.579 -6.221 1.282 67 HB1 ALA 9 HB1 ALA 9 8.417 -5.272 4.042 68 HB2 ALA 9 HB2 ALA 9 8.492 -6.926 3.432 69 HB3 ALA 9 HB3 ALA 9 6.928 -6.160 3.720 70 H LEU 10 HN LEU 10 8.523 -3.135 2.664 71 HA LEU 10 HA LEU 10 5.990 -1.815 2.782 72 HB2 LEU 10 HB2 LEU 10 8.721 -1.280 3.273 73 HB3 LEU 10 HB1 LEU 10 8.210 -0.066 2.107 74 HG LEU 10 HG LEU 10 6.464 -0.649 4.481 75 HD11 LEU 10 HD11 LEU 10 8.841 1.239 4.477 76 HD12 LEU 10 HD12 LEU 10 8.755 -0.282 5.368 77 HD13 LEU 10 HD13 LEU 10 7.668 1.044 5.780 78 HD21 LEU 10 HD21 LEU 10 7.079 1.885 2.919 79 HD22 LEU 10 HD22 LEU 10 5.814 1.684 4.132 80 HD23 LEU 10 HD23 LEU 10 5.710 0.819 2.598 81 H TYR 11 HN TYR 11 8.436 -2.039 0.183 82 HA TYR 11 HA TYR 11 7.224 -0.275 -1.707 83 HB2 TYR 11 HB2 TYR 11 8.913 -2.762 -2.092 84 HB3 TYR 11 HB1 TYR 11 8.588 -1.585 -3.352 85 HD1 TYR 11 HD1 TYR 11 8.749 0.907 -1.455 86 HD2 TYR 11 HD2 TYR 11 11.290 -2.506 -2.065 87 HE1 TYR 11 HE1 TYR 11 10.703 2.218 -0.685 88 HE2 TYR 11 HE2 TYR 11 13.240 -1.192 -1.293 89 HH TYR 11 HH TYR 11 12.983 1.683 0.361 90 H GLY 12 HN GLY 12 6.692 -3.692 -1.029 91 HA2 GLY 12 HA2 GLY 12 4.909 -4.188 -3.256 92 HA3 GLY 12 HA1 GLY 12 5.110 -5.229 -1.846 93 H VAL 13 HN VAL 13 4.459 -3.147 0.111 94 HA VAL 13 HA VAL 13 1.531 -3.313 -0.036 95 HB VAL 13 HB VAL 13 3.451 -2.150 2.008 96 HG11 VAL 13 HG11 VAL 13 1.327 -1.126 2.412 97 HG12 VAL 13 HG12 VAL 13 1.435 -2.468 3.550 98 HG13 VAL 13 HG13 VAL 13 0.462 -2.629 2.088 99 HG21 VAL 13 HG21 VAL 13 3.553 -4.653 1.542 100 HG22 VAL 13 HG22 VAL 13 1.887 -4.746 2.110 101 HG23 VAL 13 HG23 VAL 13 3.162 -4.217 3.205 102 H TRP 14 HN TRP 14 3.878 -0.993 -0.999 103 HA TRP 14 HA TRP 14 2.636 1.483 -0.479 104 HB2 TRP 14 HB2 TRP 14 4.919 1.109 -1.391 105 HB3 TRP 14 HB1 TRP 14 4.219 0.633 -2.921 106 HD1 TRP 14 HD1 TRP 14 5.225 2.608 -4.278 107 HE1 TRP 14 HE1 TRP 14 4.707 5.127 -4.386 108 HE3 TRP 14 HE3 TRP 14 2.354 3.121 -0.071 109 HZ2 TRP 14 HZ2 TRP 14 3.272 7.099 -2.897 110 HZ3 TRP 14 HZ3 TRP 14 1.429 5.322 0.550 111 HH2 TRP 14 HH2 TRP 14 1.883 7.315 -0.852 112 HA PRO 15 HA PRO 15 0.217 1.168 -4.624 113 HB2 PRO 15 HB2 PRO 15 0.020 -1.284 -5.828 114 HB3 PRO 15 HB1 PRO 15 1.300 -0.111 -6.210 115 HG2 PRO 15 HG2 PRO 15 1.403 -2.504 -4.440 116 HG3 PRO 15 HG1 PRO 15 2.605 -1.899 -5.593 117 HD2 PRO 15 HD2 PRO 15 2.824 -1.505 -2.937 118 HD3 PRO 15 HD1 PRO 15 3.434 -0.330 -4.122 119 H LEU 16 HN LEU 16 0.169 -1.543 -2.339 120 HA LEU 16 HA LEU 16 -2.608 -2.248 -2.594 121 HB2 LEU 16 HB2 LEU 16 -0.391 -2.608 -0.618 122 HB3 LEU 16 HB1 LEU 16 -2.032 -2.887 -0.038 123 HG LEU 16 HG LEU 16 -1.171 -4.139 -2.628 124 HD11 LEU 16 HD11 LEU 16 0.629 -4.713 -1.066 125 HD12 LEU 16 HD12 LEU 16 -0.385 -6.124 -1.362 126 HD13 LEU 16 HD13 LEU 16 -0.554 -5.217 0.141 127 HD21 LEU 16 HD21 LEU 16 -2.907 -5.661 -2.160 128 HD22 LEU 16 HD22 LEU 16 -3.548 -4.137 -1.549 129 HD23 LEU 16 HD23 LEU 16 -2.867 -5.319 -0.430 130 H LEU 17 HN LEU 17 -0.890 0.030 -0.497 131 HA LEU 17 HA LEU 17 -3.192 1.006 0.935 132 HB2 LEU 17 HB2 LEU 17 -0.463 1.315 1.079 133 HB3 LEU 17 HB1 LEU 17 -0.934 2.862 0.386 134 HG LEU 17 HG LEU 17 -0.857 3.018 2.823 135 HD11 LEU 17 HD11 LEU 17 -2.663 4.210 1.465 136 HD12 LEU 17 HD12 LEU 17 -2.979 4.028 3.190 137 HD13 LEU 17 HD13 LEU 17 -3.771 2.961 2.031 138 HD21 LEU 17 HD21 LEU 17 -1.323 0.591 3.248 139 HD22 LEU 17 HD22 LEU 17 -3.014 0.884 2.844 140 HD23 LEU 17 HD23 LEU 17 -2.293 1.670 4.248 141 H LEU 18 HN LEU 18 -1.567 1.963 -2.034 142 HA LEU 18 HA LEU 18 -3.090 4.313 -2.672 143 HB2 LEU 18 HB2 LEU 18 -1.195 2.437 -3.931 144 HB3 LEU 18 HB1 LEU 18 -2.335 3.127 -5.078 145 HG LEU 18 HG LEU 18 -1.751 5.406 -4.206 146 HD11 LEU 18 HD11 LEU 18 0.493 3.943 -2.786 147 HD12 LEU 18 HD12 LEU 18 -0.935 4.585 -1.974 148 HD13 LEU 18 HD13 LEU 18 0.189 5.679 -2.778 149 HD21 LEU 18 HD21 LEU 18 0.560 5.428 -5.225 150 HD22 LEU 18 HD22 LEU 18 -0.659 4.641 -6.227 151 HD23 LEU 18 HD23 LEU 18 0.482 3.668 -5.297 152 H LEU 19 HN LEU 19 -3.555 0.839 -3.346 153 HA LEU 19 HA LEU 19 -5.946 1.137 -4.959 154 HB2 LEU 19 HB2 LEU 19 -4.145 -0.858 -4.341 155 HB3 LEU 19 HB1 LEU 19 -5.550 -1.351 -3.410 156 HG LEU 19 HG LEU 19 -5.657 -2.386 -5.602 157 HD11 LEU 19 HD11 LEU 19 -7.853 -1.741 -6.256 158 HD12 LEU 19 HD12 LEU 19 -7.626 -0.094 -5.671 159 HD13 LEU 19 HD13 LEU 19 -7.765 -1.425 -4.524 160 HD21 LEU 19 HD21 LEU 19 -4.414 -1.142 -7.107 161 HD22 LEU 19 HD22 LEU 19 -5.043 0.398 -6.523 162 HD23 LEU 19 HD23 LEU 19 -6.036 -0.623 -7.562 163 H LEU 20 HN LEU 20 -5.286 0.451 -1.556 164 HA LEU 20 HA LEU 20 -7.975 0.072 -0.639 165 HB2 LEU 20 HB2 LEU 20 -5.349 0.191 0.418 166 HB3 LEU 20 HB1 LEU 20 -6.281 1.381 1.315 167 HG LEU 20 HG LEU 20 -6.424 -0.779 2.437 168 HD11 LEU 20 HD11 LEU 20 -8.809 -0.944 2.639 169 HD12 LEU 20 HD12 LEU 20 -9.055 -0.285 1.022 170 HD13 LEU 20 HD13 LEU 20 -8.444 0.750 2.311 171 HD21 LEU 20 HD21 LEU 20 -7.865 -1.945 0.068 172 HD22 LEU 20 HD22 LEU 20 -7.055 -2.777 1.395 173 HD23 LEU 20 HD23 LEU 20 -6.103 -2.000 0.130 174 H LEU 21 HN LEU 21 -5.997 3.010 -1.026 175 HA LEU 21 HA LEU 21 -7.636 4.924 0.253 176 HB2 LEU 21 HB2 LEU 21 -5.332 5.219 -0.698 177 HB3 LEU 21 HB1 LEU 21 -6.047 5.246 -2.307 178 HG LEU 21 HG LEU 21 -7.390 7.095 -0.478 179 HD11 LEU 21 HD11 LEU 21 -5.622 8.662 -0.144 180 HD12 LEU 21 HD12 LEU 21 -4.524 7.758 -1.186 181 HD13 LEU 21 HD13 LEU 21 -4.985 7.106 0.388 182 HD21 LEU 21 HD21 LEU 21 -7.669 7.125 -2.918 183 HD22 LEU 21 HD22 LEU 21 -5.940 7.409 -3.131 184 HD23 LEU 21 HD23 LEU 21 -6.951 8.644 -2.380 185 H ALA 22 HN ALA 22 -7.864 3.608 -3.024 186 HA ALA 22 HA ALA 22 -10.285 5.229 -3.612 187 HB1 ALA 22 HB1 ALA 22 -9.928 4.483 -5.865 188 HB2 ALA 22 HB2 ALA 22 -8.890 3.161 -5.328 189 HB3 ALA 22 HB3 ALA 22 -8.330 4.829 -5.201 190 H LEU 23 HN LEU 23 -10.071 2.730 -1.679 191 HA LEU 23 HA LEU 23 -12.355 1.191 -2.832 192 HB2 LEU 23 HB2 LEU 23 -9.757 0.460 -1.695 193 HB3 LEU 23 HB1 LEU 23 -11.082 -0.390 -0.923 194 HG LEU 23 HG LEU 23 -10.063 -1.573 -2.909 195 HD11 LEU 23 HD11 LEU 23 -12.953 -0.877 -3.418 196 HD12 LEU 23 HD12 LEU 23 -12.458 -1.867 -2.044 197 HD13 LEU 23 HD13 LEU 23 -12.131 -2.414 -3.688 198 HD21 LEU 23 HD21 LEU 23 -10.451 -0.786 -5.127 199 HD22 LEU 23 HD22 LEU 23 -9.816 0.601 -4.242 200 HD23 LEU 23 HD23 LEU 23 -11.545 0.479 -4.567 201 HA PRO 24 HA PRO 24 -14.351 2.442 0.937 202 HB2 PRO 24 HB2 PRO 24 -16.591 0.905 0.665 203 HB3 PRO 24 HB1 PRO 24 -16.274 2.348 -0.316 204 HG2 PRO 24 HG2 PRO 24 -16.207 -0.464 -1.084 205 HG3 PRO 24 HG1 PRO 24 -16.341 0.980 -2.093 206 HD2 PRO 24 HD2 PRO 24 -14.018 -0.622 -1.588 207 HD3 PRO 24 HD1 PRO 24 -14.150 0.810 -2.628 208 HA PRO 25 HA PRO 25 -13.438 -0.626 4.003 209 HB2 PRO 25 HB2 PRO 25 -15.179 0.056 5.987 210 HB3 PRO 25 HB1 PRO 25 -13.739 1.020 5.597 211 HG2 PRO 25 HG2 PRO 25 -16.576 1.483 4.844 212 HG3 PRO 25 HG1 PRO 25 -15.328 2.647 5.322 213 HD2 PRO 25 HD2 PRO 25 -16.076 2.241 2.744 214 HD3 PRO 25 HD1 PRO 25 -14.448 2.777 3.220 215 H ARG 26 HN ARG 26 -14.189 -2.656 4.661 216 HA ARG 26 HA ARG 26 -15.535 -4.588 4.709 217 HB2 ARG 26 HB2 ARG 26 -16.938 -2.510 5.798 218 HB3 ARG 26 HB1 ARG 26 -18.040 -3.021 4.524 219 HG2 ARG 26 HG2 ARG 26 -17.148 -5.410 5.710 220 HG3 ARG 26 HG1 ARG 26 -17.447 -4.313 7.058 221 HD2 ARG 26 HD2 ARG 26 -19.439 -4.818 4.817 222 HD3 ARG 26 HD1 ARG 26 -19.492 -5.617 6.400 223 HE ARG 26 HE ARG 26 -19.694 -2.644 6.057 224 HH11 ARG 26 HH21 ARG 26 -22.223 -4.114 6.521 225 HH12 ARG 26 HH22 ARG 26 -22.399 -4.047 8.242 226 HH21 ARG 26 HH11 ARG 26 -19.064 -3.189 8.796 227 HH22 ARG 26 HH12 ARG 26 -20.590 -3.518 9.544 228 H ALA 27 HN ALA 27 -14.636 -3.617 2.143 229 HA ALA 27 HA ALA 27 -16.907 -4.425 0.352 230 HB1 ALA 27 HB1 ALA 27 -16.077 -2.038 0.255 231 HB2 ALA 27 HB2 ALA 27 -15.957 -2.906 -1.275 232 HB3 ALA 27 HB3 ALA 27 -14.519 -2.665 -0.283 233 H TYR 28 HN TYR 28 -15.550 -6.507 1.403 234 HA TYR 28 HA TYR 28 -14.022 -7.593 -0.895 235 HB2 TYR 28 HB2 TYR 28 -12.816 -6.518 1.472 236 HB3 TYR 28 HB1 TYR 28 -12.584 -8.264 1.490 237 HD1 TYR 28 HD2 TYR 28 -11.609 -9.389 -0.586 238 HD2 TYR 28 HD1 TYR 28 -11.565 -5.134 0.012 239 HE1 TYR 28 HE2 TYR 28 -9.821 -9.167 -2.288 240 HE2 TYR 28 HE1 TYR 28 -9.777 -4.914 -1.690 241 HH TYR 28 HH TYR 28 -9.103 -6.682 -3.885 242 H ALA 29 HN ALA 29 -14.894 -8.302 2.521 243 HA ALA 29 HA ALA 29 -16.208 -10.835 1.639 244 HB1 ALA 29 HB1 ALA 29 -13.873 -11.322 2.254 245 HB2 ALA 29 HB2 ALA 29 -14.984 -12.024 3.431 246 HB3 ALA 29 HB3 ALA 29 -14.116 -10.538 3.817 Start of MODEL 11 1 H1 ARG 1 HT1 ARG 1 18.567 3.158 -10.423 2 H2 ARG 1 HT2 ARG 1 20.239 2.872 -10.517 3 H3 ARG 1 HT3 ARG 1 19.603 3.823 -9.259 4 HA ARG 1 HA ARG 1 19.140 0.905 -9.653 5 HB2 ARG 1 HB2 ARG 1 21.371 2.158 -8.756 6 HB3 ARG 1 HB1 ARG 1 20.448 2.085 -7.255 7 HG2 ARG 1 HG2 ARG 1 20.055 -0.412 -7.887 8 HG3 ARG 1 HG1 ARG 1 21.423 -0.186 -8.977 9 HD2 ARG 1 HD2 ARG 1 22.931 0.208 -7.219 10 HD3 ARG 1 HD1 ARG 1 21.640 0.656 -6.085 11 HE ARG 1 HE ARG 1 20.952 -1.725 -6.042 12 HH11 ARG 1 HH21 ARG 1 23.738 -1.722 -4.987 13 HH12 ARG 1 HH22 ARG 1 24.503 -2.958 -5.926 14 HH21 ARG 1 HH11 ARG 1 22.014 -2.989 -8.369 15 HH22 ARG 1 HH12 ARG 1 23.516 -3.682 -7.862 16 H LEU 2 HN LEU 2 17.937 -0.038 -7.814 17 HA LEU 2 HA LEU 2 15.950 1.876 -6.631 18 HB2 LEU 2 HB2 LEU 2 15.659 -0.396 -8.207 19 HB3 LEU 2 HB1 LEU 2 15.354 -1.000 -6.579 20 HG LEU 2 HG LEU 2 14.003 1.488 -6.775 21 HD11 LEU 2 HD11 LEU 2 13.394 -0.342 -9.116 22 HD12 LEU 2 HD12 LEU 2 14.201 1.221 -9.242 23 HD13 LEU 2 HD13 LEU 2 12.528 1.135 -8.693 24 HD21 LEU 2 HD21 LEU 2 13.446 -0.682 -5.518 25 HD22 LEU 2 HD22 LEU 2 12.764 -1.263 -7.036 26 HD23 LEU 2 HD23 LEU 2 12.086 0.165 -6.253 27 H VAL 3 HN VAL 3 14.992 0.719 -4.482 28 HA VAL 3 HA VAL 3 17.202 0.593 -2.586 29 HB VAL 3 HB VAL 3 15.394 0.208 -0.929 30 HG11 VAL 3 HG11 VAL 3 14.383 2.318 -2.815 31 HG12 VAL 3 HG12 VAL 3 15.955 2.502 -2.035 32 HG13 VAL 3 HG13 VAL 3 14.495 2.358 -1.057 33 HG21 VAL 3 HG21 VAL 3 13.955 -0.682 -3.282 34 HG22 VAL 3 HG22 VAL 3 13.064 0.615 -2.485 35 HG23 VAL 3 HG23 VAL 3 13.507 -0.834 -1.584 36 HA PRO 4 HA PRO 4 17.704 -3.798 -2.489 37 HB2 PRO 4 HB2 PRO 4 18.674 -4.140 0.042 38 HB3 PRO 4 HB1 PRO 4 19.619 -3.387 -1.255 39 HG2 PRO 4 HG2 PRO 4 18.291 -2.148 1.058 40 HG3 PRO 4 HG1 PRO 4 19.713 -1.621 0.150 41 HD2 PRO 4 HD2 PRO 4 17.115 -0.594 -0.071 42 HD3 PRO 4 HD1 PRO 4 18.477 -0.282 -1.167 43 H GLY 5 HN GLY 5 17.270 -5.649 -0.512 44 HA2 GLY 5 HA2 GLY 5 14.492 -6.076 -0.410 45 HA3 GLY 5 HA1 GLY 5 15.642 -6.829 0.690 46 H ALA 6 HN ALA 6 16.538 -4.260 1.824 47 HA ALA 6 HA ALA 6 15.032 -3.973 4.134 48 HB1 ALA 6 HB1 ALA 6 16.116 -1.733 4.262 49 HB2 ALA 6 HB2 ALA 6 16.563 -1.888 2.563 50 HB3 ALA 6 HB3 ALA 6 17.236 -2.998 3.757 51 H ALA 7 HN ALA 7 14.737 -1.831 1.301 52 HA ALA 7 HA ALA 7 12.073 -0.928 2.304 53 HB1 ALA 7 HB1 ALA 7 13.363 0.957 1.934 54 HB2 ALA 7 HB2 ALA 7 12.588 0.800 0.358 55 HB3 ALA 7 HB3 ALA 7 14.237 0.224 0.591 56 H TYR 8 HN TYR 8 13.106 -3.327 0.290 57 HA TYR 8 HA TYR 8 11.448 -2.856 -2.054 58 HB2 TYR 8 HB2 TYR 8 13.424 -4.707 -1.182 59 HB3 TYR 8 HB1 TYR 8 11.983 -5.649 -1.552 60 HD1 TYR 8 HD2 TYR 8 10.701 -4.511 -3.774 61 HD2 TYR 8 HD1 TYR 8 14.918 -4.608 -2.960 62 HE1 TYR 8 HE2 TYR 8 11.177 -4.282 -6.195 63 HE2 TYR 8 HE1 TYR 8 15.391 -4.380 -5.381 64 HH TYR 8 HH TYR 8 13.734 -3.261 -7.481 65 H ALA 9 HN ALA 9 11.108 -4.695 0.943 66 HA ALA 9 HA ALA 9 8.461 -5.743 0.329 67 HB1 ALA 9 HB1 ALA 9 8.588 -6.655 2.529 68 HB2 ALA 9 HB2 ALA 9 9.695 -5.392 3.067 69 HB3 ALA 9 HB3 ALA 9 10.256 -6.641 1.956 70 H LEU 10 HN LEU 10 9.725 -3.010 2.172 71 HA LEU 10 HA LEU 10 7.270 -2.037 3.289 72 HB2 LEU 10 HB2 LEU 10 10.016 -1.314 3.173 73 HB3 LEU 10 HB1 LEU 10 9.112 0.085 2.610 74 HG LEU 10 HG LEU 10 9.396 0.220 5.025 75 HD11 LEU 10 HD11 LEU 10 6.531 -0.632 4.733 76 HD12 LEU 10 HD12 LEU 10 7.118 0.755 3.816 77 HD13 LEU 10 HD13 LEU 10 7.202 0.764 5.577 78 HD21 LEU 10 HD21 LEU 10 7.878 -2.397 5.199 79 HD22 LEU 10 HD22 LEU 10 8.603 -1.493 6.528 80 HD23 LEU 10 HD23 LEU 10 9.632 -2.276 5.329 81 H TYR 11 HN TYR 11 8.888 -1.407 0.182 82 HA TYR 11 HA TYR 11 6.869 0.538 -0.683 83 HB2 TYR 11 HB2 TYR 11 9.376 -0.706 -1.756 84 HB3 TYR 11 HB1 TYR 11 8.300 0.124 -2.873 85 HD1 TYR 11 HD1 TYR 11 9.763 0.656 0.556 86 HD2 TYR 11 HD2 TYR 11 8.669 2.401 -3.215 87 HE1 TYR 11 HE1 TYR 11 10.657 2.833 1.311 88 HE2 TYR 11 HE2 TYR 11 9.566 4.581 -2.455 89 HH TYR 11 HH TYR 11 11.615 5.070 -0.266 90 H GLY 12 HN GLY 12 6.689 -2.769 -0.407 91 HA2 GLY 12 HA2 GLY 12 5.184 -3.187 -2.936 92 HA3 GLY 12 HA1 GLY 12 5.753 -4.463 -1.859 93 H VAL 13 HN VAL 13 4.834 -3.350 0.611 94 HA VAL 13 HA VAL 13 2.009 -4.102 0.465 95 HB VAL 13 HB VAL 13 2.103 -3.939 2.904 96 HG11 VAL 13 HG11 VAL 13 3.551 -5.723 3.271 97 HG12 VAL 13 HG12 VAL 13 4.768 -5.103 2.156 98 HG13 VAL 13 HG13 VAL 13 3.288 -5.831 1.530 99 HG21 VAL 13 HG21 VAL 13 4.130 -3.172 4.059 100 HG22 VAL 13 HG22 VAL 13 3.488 -1.876 3.052 101 HG23 VAL 13 HG23 VAL 13 4.895 -2.795 2.515 102 H TRP 14 HN TRP 14 3.802 -1.117 0.653 103 HA TRP 14 HA TRP 14 1.853 0.660 1.688 104 HB2 TRP 14 HB2 TRP 14 4.248 1.159 1.303 105 HB3 TRP 14 HB1 TRP 14 3.969 1.147 -0.423 106 HD1 TRP 14 HD1 TRP 14 4.450 3.631 -0.904 107 HE1 TRP 14 HE1 TRP 14 3.275 5.837 -0.289 108 HE3 TRP 14 HE3 TRP 14 1.187 1.953 2.666 109 HZ2 TRP 14 HZ2 TRP 14 1.229 6.775 1.473 110 HZ3 TRP 14 HZ3 TRP 14 -0.354 3.522 3.787 111 HH2 TRP 14 HH2 TRP 14 -0.341 5.929 3.200 112 HA PRO 15 HA PRO 15 0.400 1.518 -2.834 113 HB2 PRO 15 HB2 PRO 15 0.926 -0.404 -4.717 114 HB3 PRO 15 HB1 PRO 15 1.980 0.994 -4.415 115 HG2 PRO 15 HG2 PRO 15 2.246 -1.807 -3.437 116 HG3 PRO 15 HG1 PRO 15 3.489 -0.707 -4.056 117 HD2 PRO 15 HD2 PRO 15 3.161 -1.149 -1.434 118 HD3 PRO 15 HD1 PRO 15 3.680 0.433 -2.049 119 H LEU 16 HN LEU 16 0.394 -1.792 -1.539 120 HA LEU 16 HA LEU 16 -2.176 -2.537 -2.668 121 HB2 LEU 16 HB2 LEU 16 -0.107 -3.773 -1.246 122 HB3 LEU 16 HB1 LEU 16 -1.450 -3.771 -0.106 123 HG LEU 16 HG LEU 16 -2.894 -4.722 -1.970 124 HD11 LEU 16 HD11 LEU 16 -1.476 -5.965 -3.723 125 HD12 LEU 16 HD12 LEU 16 -0.167 -4.878 -3.263 126 HD13 LEU 16 HD13 LEU 16 -1.660 -4.224 -3.936 127 HD21 LEU 16 HD21 LEU 16 -2.125 -6.990 -1.588 128 HD22 LEU 16 HD22 LEU 16 -1.860 -6.071 -0.106 129 HD23 LEU 16 HD23 LEU 16 -0.507 -6.421 -1.181 130 H LEU 17 HN LEU 17 -1.081 -1.190 0.404 131 HA LEU 17 HA LEU 17 -3.701 -0.941 1.615 132 HB2 LEU 17 HB2 LEU 17 -0.996 -0.555 2.332 133 HB3 LEU 17 HB1 LEU 17 -1.735 1.039 2.475 134 HG LEU 17 HG LEU 17 -3.608 -0.113 3.795 135 HD11 LEU 17 HD11 LEU 17 -2.863 -2.238 4.919 136 HD12 LEU 17 HD12 LEU 17 -1.516 -2.308 3.783 137 HD13 LEU 17 HD13 LEU 17 -3.174 -2.418 3.193 138 HD21 LEU 17 HD21 LEU 17 -0.778 -0.081 4.898 139 HD22 LEU 17 HD22 LEU 17 -2.243 -0.121 5.878 140 HD23 LEU 17 HD23 LEU 17 -1.896 1.283 4.869 141 H LEU 18 HN LEU 18 -1.654 1.114 -0.383 142 HA LEU 18 HA LEU 18 -3.171 3.549 -0.325 143 HB2 LEU 18 HB2 LEU 18 -1.237 2.185 -2.189 144 HB3 LEU 18 HB1 LEU 18 -2.070 3.622 -2.756 145 HG LEU 18 HG LEU 18 -0.481 3.497 -0.176 146 HD11 LEU 18 HD11 LEU 18 1.125 3.233 -1.906 147 HD12 LEU 18 HD12 LEU 18 1.129 4.960 -1.548 148 HD13 LEU 18 HD13 LEU 18 0.283 4.357 -2.973 149 HD21 LEU 18 HD21 LEU 18 -2.196 5.251 -0.206 150 HD22 LEU 18 HD22 LEU 18 -1.635 5.803 -1.784 151 HD23 LEU 18 HD23 LEU 18 -0.599 5.979 -0.368 152 H LEU 19 HN LEU 19 -3.288 0.653 -2.424 153 HA LEU 19 HA LEU 19 -5.471 1.484 -4.114 154 HB2 LEU 19 HB2 LEU 19 -3.678 -0.506 -4.153 155 HB3 LEU 19 HB1 LEU 19 -4.990 -1.382 -3.379 156 HG LEU 19 HG LEU 19 -5.562 0.219 -5.856 157 HD11 LEU 19 HD11 LEU 19 -4.442 -2.601 -5.811 158 HD12 LEU 19 HD12 LEU 19 -3.582 -1.174 -6.389 159 HD13 LEU 19 HD13 LEU 19 -5.021 -1.740 -7.236 160 HD21 LEU 19 HD21 LEU 19 -6.710 -2.166 -4.408 161 HD22 LEU 19 HD22 LEU 19 -7.105 -1.874 -6.101 162 HD23 LEU 19 HD23 LEU 19 -7.514 -0.670 -4.881 163 H LEU 20 HN LEU 20 -5.250 -0.487 -1.203 164 HA LEU 20 HA LEU 20 -7.996 -1.161 -0.822 165 HB2 LEU 20 HB2 LEU 20 -5.473 -1.111 0.694 166 HB3 LEU 20 HB1 LEU 20 -6.897 -0.930 1.711 167 HG LEU 20 HG LEU 20 -6.754 -3.084 -0.398 168 HD11 LEU 20 HD11 LEU 20 -4.796 -3.411 1.021 169 HD12 LEU 20 HD12 LEU 20 -6.015 -4.621 1.423 170 HD13 LEU 20 HD13 LEU 20 -5.780 -3.222 2.473 171 HD21 LEU 20 HD21 LEU 20 -8.308 -2.695 2.181 172 HD22 LEU 20 HD22 LEU 20 -8.364 -4.164 1.208 173 HD23 LEU 20 HD23 LEU 20 -8.956 -2.642 0.542 174 H LEU 21 HN LEU 21 -6.142 1.719 0.158 175 HA LEU 21 HA LEU 21 -8.102 2.937 1.837 176 HB2 LEU 21 HB2 LEU 21 -5.577 3.428 1.383 177 HB3 LEU 21 HB1 LEU 21 -6.186 4.478 0.106 178 HG LEU 21 HG LEU 21 -7.784 5.336 2.059 179 HD11 LEU 21 HD11 LEU 21 -6.713 3.574 3.604 180 HD12 LEU 21 HD12 LEU 21 -6.840 5.218 4.230 181 HD13 LEU 21 HD13 LEU 21 -5.296 4.625 3.618 182 HD21 LEU 21 HD21 LEU 21 -5.984 7.044 2.602 183 HD22 LEU 21 HD22 LEU 21 -6.293 6.818 0.881 184 HD23 LEU 21 HD23 LEU 21 -4.876 6.079 1.628 185 H ALA 22 HN ALA 22 -7.874 2.770 -1.649 186 HA ALA 22 HA ALA 22 -10.072 4.781 -1.942 187 HB1 ALA 22 HB1 ALA 22 -9.244 5.106 -4.143 188 HB2 ALA 22 HB2 ALA 22 -8.355 3.583 -4.117 189 HB3 ALA 22 HB3 ALA 22 -7.804 4.943 -3.138 190 H LEU 23 HN LEU 23 -10.205 1.685 -1.270 191 HA LEU 23 HA LEU 23 -12.247 1.047 -3.379 192 HB2 LEU 23 HB2 LEU 23 -9.796 -0.047 -3.099 193 HB3 LEU 23 HB1 LEU 23 -10.744 -1.115 -2.078 194 HG LEU 23 HG LEU 23 -10.671 -2.033 -4.340 195 HD11 LEU 23 HD11 LEU 23 -13.402 -0.787 -3.955 196 HD12 LEU 23 HD12 LEU 23 -12.821 -2.161 -3.014 197 HD13 LEU 23 HD13 LEU 23 -13.018 -2.308 -4.761 198 HD21 LEU 23 HD21 LEU 23 -11.419 -0.809 -6.275 199 HD22 LEU 23 HD22 LEU 23 -10.252 0.212 -5.436 200 HD23 LEU 23 HD23 LEU 23 -11.979 0.535 -5.282 201 HA PRO 24 HA PRO 24 -13.821 0.639 1.089 202 HB2 PRO 24 HB2 PRO 24 -15.623 2.692 0.994 203 HB3 PRO 24 HB1 PRO 24 -13.934 2.907 1.501 204 HG2 PRO 24 HG2 PRO 24 -15.201 3.502 -1.126 205 HG3 PRO 24 HG1 PRO 24 -13.980 4.419 -0.227 206 HD2 PRO 24 HD2 PRO 24 -13.355 2.806 -2.340 207 HD3 PRO 24 HD1 PRO 24 -12.244 3.123 -0.997 208 HA PRO 25 HA PRO 25 -17.200 -1.533 -0.871 209 HB2 PRO 25 HB2 PRO 25 -18.057 -2.923 1.314 210 HB3 PRO 25 HB1 PRO 25 -16.606 -3.347 0.387 211 HG2 PRO 25 HG2 PRO 25 -16.833 -2.078 3.028 212 HG3 PRO 25 HG1 PRO 25 -15.527 -3.052 2.345 213 HD2 PRO 25 HD2 PRO 25 -15.580 -0.254 2.600 214 HD3 PRO 25 HD1 PRO 25 -14.395 -1.223 1.698 215 H ARG 26 HN ARG 26 -18.353 -0.889 2.428 216 HA ARG 26 HA ARG 26 -20.698 0.565 1.262 217 HB2 ARG 26 HB2 ARG 26 -20.391 -1.615 3.111 218 HB3 ARG 26 HB1 ARG 26 -21.171 -0.270 3.939 219 HG2 ARG 26 HG2 ARG 26 -23.095 -0.898 2.957 220 HG3 ARG 26 HG1 ARG 26 -22.411 -0.342 1.431 221 HD2 ARG 26 HD2 ARG 26 -21.411 -2.998 2.137 222 HD3 ARG 26 HD1 ARG 26 -23.181 -2.966 2.006 223 HE ARG 26 HE ARG 26 -21.346 -1.998 -0.156 224 HH11 ARG 26 HH21 ARG 26 -22.676 -4.667 -0.455 225 HH12 ARG 26 HH22 ARG 26 -24.082 -4.276 -1.385 226 HH21 ARG 26 HH11 ARG 26 -23.876 -0.858 -0.724 227 HH22 ARG 26 HH12 ARG 26 -24.768 -2.097 -1.539 228 H ALA 27 HN ALA 27 -18.040 0.821 3.556 229 HA ALA 27 HA ALA 27 -19.142 3.277 4.798 230 HB1 ALA 27 HB1 ALA 27 -16.556 1.742 5.217 231 HB2 ALA 27 HB2 ALA 27 -18.045 1.489 6.128 232 HB3 ALA 27 HB3 ALA 27 -17.179 3.019 6.261 233 H TYR 28 HN TYR 28 -18.677 3.595 2.048 234 HA TYR 28 HA TYR 28 -16.043 4.839 1.623 235 HB2 TYR 28 HB2 TYR 28 -16.876 5.147 -0.669 236 HB3 TYR 28 HB1 TYR 28 -17.156 3.500 -0.126 237 HD1 TYR 28 HD1 TYR 28 -18.794 6.814 -0.647 238 HD2 TYR 28 HD2 TYR 28 -19.362 2.602 0.003 239 HE1 TYR 28 HE1 TYR 28 -21.208 7.061 -1.139 240 HE2 TYR 28 HE2 TYR 28 -21.777 2.855 -0.489 241 HH TYR 28 HH TYR 28 -23.367 5.727 -0.482 242 H ALA 29 HN ALA 29 -19.244 5.898 2.538 243 HA ALA 29 HA ALA 29 -20.074 7.971 3.179 244 HB1 ALA 29 HB1 ALA 29 -17.291 9.085 2.788 245 HB2 ALA 29 HB2 ALA 29 -17.675 8.029 4.148 246 HB3 ALA 29 HB3 ALA 29 -18.513 9.569 3.963 Start of MODEL 12 1 H1 ARG 1 HT1 ARG 1 15.282 2.955 -0.272 2 H2 ARG 1 HT2 ARG 1 16.085 3.259 -1.736 3 H3 ARG 1 HT3 ARG 1 16.466 4.165 -0.349 4 HA ARG 1 HA ARG 1 16.861 1.224 -0.549 5 HB2 ARG 1 HB2 ARG 1 19.310 1.938 -0.831 6 HB3 ARG 1 HB1 ARG 1 18.260 2.152 -2.225 7 HG2 ARG 1 HG2 ARG 1 18.030 4.539 -1.728 8 HG3 ARG 1 HG1 ARG 1 18.976 4.349 -0.250 9 HD2 ARG 1 HD2 ARG 1 20.971 3.831 -1.479 10 HD3 ARG 1 HD1 ARG 1 20.066 3.656 -2.997 11 HE ARG 1 HE ARG 1 20.520 6.246 -1.577 12 HH11 ARG 1 HH21 ARG 1 21.515 5.334 -4.387 13 HH12 ARG 1 HH22 ARG 1 20.474 6.275 -5.400 14 HH21 ARG 1 HH11 ARG 1 18.266 7.078 -2.827 15 HH22 ARG 1 HH12 ARG 1 18.620 7.269 -4.509 16 H LEU 2 HN LEU 2 16.685 0.577 1.544 17 HA LEU 2 HA LEU 2 18.411 1.815 3.603 18 HB2 LEU 2 HB2 LEU 2 16.029 2.923 3.330 19 HB3 LEU 2 HB1 LEU 2 15.476 1.496 4.203 20 HG LEU 2 HG LEU 2 17.515 2.140 5.806 21 HD11 LEU 2 HD11 LEU 2 16.672 4.775 4.561 22 HD12 LEU 2 HD12 LEU 2 18.269 4.037 4.452 23 HD13 LEU 2 HD13 LEU 2 17.667 4.610 6.007 24 HD21 LEU 2 HD21 LEU 2 14.818 3.540 5.792 25 HD22 LEU 2 HD22 LEU 2 15.885 3.403 7.190 26 HD23 LEU 2 HD23 LEU 2 15.157 1.957 6.492 27 H VAL 3 HN VAL 3 16.349 0.243 5.487 28 HA VAL 3 HA VAL 3 17.877 -2.113 5.843 29 HB VAL 3 HB VAL 3 15.866 -2.894 7.139 30 HG11 VAL 3 HG11 VAL 3 15.818 -0.584 8.516 31 HG12 VAL 3 HG12 VAL 3 17.227 -0.277 7.499 32 HG13 VAL 3 HG13 VAL 3 17.191 -1.690 8.553 33 HG21 VAL 3 HG21 VAL 3 14.023 -1.167 7.406 34 HG22 VAL 3 HG22 VAL 3 14.035 -2.001 5.855 35 HG23 VAL 3 HG23 VAL 3 14.660 -0.360 5.975 36 HA PRO 4 HA PRO 4 16.558 -4.800 2.638 37 HB2 PRO 4 HB2 PRO 4 16.800 -7.250 3.820 38 HB3 PRO 4 HB1 PRO 4 18.181 -6.260 3.310 39 HG2 PRO 4 HG2 PRO 4 17.042 -6.642 6.024 40 HG3 PRO 4 HG1 PRO 4 18.729 -6.467 5.516 41 HD2 PRO 4 HD2 PRO 4 17.256 -4.460 6.641 42 HD3 PRO 4 HD1 PRO 4 18.647 -4.196 5.567 43 H GLY 5 HN GLY 5 15.235 -7.017 4.994 44 HA2 GLY 5 HA2 GLY 5 12.752 -7.350 3.748 45 HA3 GLY 5 HA1 GLY 5 13.065 -7.745 5.430 46 H ALA 6 HN ALA 6 13.499 -5.106 6.441 47 HA ALA 6 HA ALA 6 10.800 -4.244 6.864 48 HB1 ALA 6 HB1 ALA 6 12.162 -3.713 8.621 49 HB2 ALA 6 HB2 ALA 6 12.226 -2.169 7.772 50 HB3 ALA 6 HB3 ALA 6 13.535 -3.335 7.583 51 H ALA 7 HN ALA 7 12.844 -3.538 4.196 52 HA ALA 7 HA ALA 7 11.091 -1.214 3.468 53 HB1 ALA 7 HB1 ALA 7 13.884 -1.479 2.417 54 HB2 ALA 7 HB2 ALA 7 13.669 -0.957 4.087 55 HB3 ALA 7 HB3 ALA 7 12.956 -0.023 2.774 56 H TYR 8 HN TYR 8 11.038 -4.242 2.810 57 HA TYR 8 HA TYR 8 11.139 -4.015 -0.174 58 HB2 TYR 8 HB2 TYR 8 12.097 -5.986 1.752 59 HB3 TYR 8 HB1 TYR 8 10.999 -6.722 0.588 60 HD1 TYR 8 HD2 TYR 8 11.410 -5.710 -1.944 61 HD2 TYR 8 HD1 TYR 8 14.344 -6.061 1.173 62 HE1 TYR 8 HE2 TYR 8 13.214 -5.709 -3.641 63 HE2 TYR 8 HE1 TYR 8 16.149 -6.060 -0.526 64 HH TYR 8 HH TYR 8 15.947 -6.791 -3.421 65 H ALA 9 HN ALA 9 9.461 -5.774 2.417 66 HA ALA 9 HA ALA 9 7.053 -6.278 0.903 67 HB1 ALA 9 HB1 ALA 9 7.470 -6.163 3.909 68 HB2 ALA 9 HB2 ALA 9 7.869 -7.561 2.909 69 HB3 ALA 9 HB3 ALA 9 6.193 -7.035 3.063 70 H LEU 10 HN LEU 10 8.028 -3.807 3.224 71 HA LEU 10 HA LEU 10 5.558 -2.365 3.465 72 HB2 LEU 10 HB2 LEU 10 8.212 -2.218 4.406 73 HB3 LEU 10 HB1 LEU 10 7.960 -0.707 3.545 74 HG LEU 10 HG LEU 10 7.344 -0.497 5.923 75 HD11 LEU 10 HD11 LEU 10 4.919 0.242 5.539 76 HD12 LEU 10 HD12 LEU 10 5.125 -0.318 3.880 77 HD13 LEU 10 HD13 LEU 10 6.145 0.976 4.507 78 HD21 LEU 10 HD21 LEU 10 5.591 -1.772 6.919 79 HD22 LEU 10 HD22 LEU 10 6.612 -2.948 6.091 80 HD23 LEU 10 HD23 LEU 10 5.087 -2.435 5.365 81 H TYR 11 HN TYR 11 8.262 -2.127 1.173 82 HA TYR 11 HA TYR 11 7.186 0.180 -0.246 83 HB2 TYR 11 HB2 TYR 11 9.450 -1.773 -0.599 84 HB3 TYR 11 HB1 TYR 11 9.051 -0.644 -1.892 85 HD1 TYR 11 HD1 TYR 11 9.544 -0.639 1.839 86 HD2 TYR 11 HD2 TYR 11 10.097 1.436 -1.879 87 HE1 TYR 11 HE1 TYR 11 10.754 1.158 3.030 88 HE2 TYR 11 HE2 TYR 11 11.312 3.238 -0.686 89 HH TYR 11 HH TYR 11 11.136 3.903 2.303 90 H GLY 12 HN GLY 12 6.914 -3.296 -0.521 91 HA2 GLY 12 HA2 GLY 12 5.861 -3.370 -3.214 92 HA3 GLY 12 HA1 GLY 12 5.762 -4.675 -2.032 93 H VAL 13 HN VAL 13 4.415 -2.905 -0.010 94 HA VAL 13 HA VAL 13 1.679 -3.228 -1.050 95 HB VAL 13 HB VAL 13 1.030 -2.722 1.283 96 HG11 VAL 13 HG11 VAL 13 3.249 -4.748 0.919 97 HG12 VAL 13 HG12 VAL 13 1.516 -5.022 0.744 98 HG13 VAL 13 HG13 VAL 13 2.197 -4.678 2.333 99 HG21 VAL 13 HG21 VAL 13 3.118 -1.174 1.598 100 HG22 VAL 13 HG22 VAL 13 3.951 -2.667 2.025 101 HG23 VAL 13 HG23 VAL 13 2.560 -2.135 2.966 102 H TRP 14 HN TRP 14 3.795 -0.757 -1.469 103 HA TRP 14 HA TRP 14 2.486 1.619 -0.654 104 HB2 TRP 14 HB2 TRP 14 4.770 1.483 -1.564 105 HB3 TRP 14 HB1 TRP 14 4.141 1.026 -3.128 106 HD1 TRP 14 HD1 TRP 14 5.046 3.106 -4.395 107 HE1 TRP 14 HE1 TRP 14 4.391 5.597 -4.413 108 HE3 TRP 14 HE3 TRP 14 2.089 3.290 -0.224 109 HZ2 TRP 14 HZ2 TRP 14 2.828 7.426 -2.873 110 HZ3 TRP 14 HZ3 TRP 14 1.035 5.412 0.469 111 HH2 TRP 14 HH2 TRP 14 1.398 7.482 -0.844 112 HA PRO 15 HA PRO 15 0.099 1.617 -4.844 113 HB2 PRO 15 HB2 PRO 15 -0.006 -0.720 -6.266 114 HB3 PRO 15 HB1 PRO 15 1.241 0.518 -6.522 115 HG2 PRO 15 HG2 PRO 15 1.397 -2.028 -4.992 116 HG3 PRO 15 HG1 PRO 15 2.600 -1.268 -6.048 117 HD2 PRO 15 HD2 PRO 15 2.726 -1.147 -3.352 118 HD3 PRO 15 HD1 PRO 15 3.363 0.139 -4.397 119 H LEU 16 HN LEU 16 0.116 -1.253 -2.782 120 HA LEU 16 HA LEU 16 -2.621 -2.064 -3.143 121 HB2 LEU 16 HB2 LEU 16 -0.401 -2.496 -1.198 122 HB3 LEU 16 HB1 LEU 16 -2.026 -2.823 -0.606 123 HG LEU 16 HG LEU 16 -2.360 -4.226 -2.725 124 HD11 LEU 16 HD11 LEU 16 0.653 -3.871 -2.781 125 HD12 LEU 16 HD12 LEU 16 -0.492 -3.419 -4.044 126 HD13 LEU 16 HD13 LEU 16 -0.211 -5.121 -3.676 127 HD21 LEU 16 HD21 LEU 16 -1.870 -5.087 -0.372 128 HD22 LEU 16 HD22 LEU 16 -0.181 -5.215 -0.865 129 HD23 LEU 16 HD23 LEU 16 -1.415 -6.172 -1.686 130 H LEU 17 HN LEU 17 -1.041 0.184 -0.906 131 HA LEU 17 HA LEU 17 -3.417 0.931 0.568 132 HB2 LEU 17 HB2 LEU 17 -0.711 1.374 0.788 133 HB3 LEU 17 HB1 LEU 17 -1.251 2.932 0.172 134 HG LEU 17 HG LEU 17 -1.232 2.957 2.615 135 HD11 LEU 17 HD11 LEU 17 -4.127 2.777 1.773 136 HD12 LEU 17 HD12 LEU 17 -3.084 4.112 1.279 137 HD13 LEU 17 HD13 LEU 17 -3.405 3.831 2.990 138 HD21 LEU 17 HD21 LEU 17 -3.220 0.669 2.437 139 HD22 LEU 17 HD22 LEU 17 -2.672 1.457 3.916 140 HD23 LEU 17 HD23 LEU 17 -1.538 0.515 2.949 141 H LEU 18 HN LEU 18 -1.802 2.120 -2.321 142 HA LEU 18 HA LEU 18 -3.456 4.422 -2.855 143 HB2 LEU 18 HB2 LEU 18 -1.423 2.730 -4.185 144 HB3 LEU 18 HB1 LEU 18 -2.568 3.457 -5.303 145 HG LEU 18 HG LEU 18 -2.113 5.677 -4.139 146 HD11 LEU 18 HD11 LEU 18 -1.013 4.360 -2.152 147 HD12 LEU 18 HD12 LEU 18 -0.321 5.902 -2.653 148 HD13 LEU 18 HD13 LEU 18 0.427 4.392 -3.170 149 HD21 LEU 18 HD21 LEU 18 -0.137 6.098 -5.447 150 HD22 LEU 18 HD22 LEU 18 -1.089 4.906 -6.332 151 HD23 LEU 18 HD23 LEU 18 0.323 4.396 -5.406 152 H LEU 19 HN LEU 19 -3.613 0.981 -3.733 153 HA LEU 19 HA LEU 19 -5.984 1.093 -5.379 154 HB2 LEU 19 HB2 LEU 19 -4.075 -0.819 -4.340 155 HB3 LEU 19 HB1 LEU 19 -5.699 -1.442 -4.098 156 HG LEU 19 HG LEU 19 -6.180 -0.962 -6.518 157 HD11 LEU 19 HD11 LEU 19 -3.287 -0.133 -6.390 158 HD12 LEU 19 HD12 LEU 19 -4.638 0.682 -7.176 159 HD13 LEU 19 HD13 LEU 19 -3.957 -0.778 -7.889 160 HD21 LEU 19 HD21 LEU 19 -4.647 -2.827 -7.360 161 HD22 LEU 19 HD22 LEU 19 -5.621 -3.221 -5.946 162 HD23 LEU 19 HD23 LEU 19 -3.914 -2.824 -5.757 163 H LEU 20 HN LEU 20 -5.328 0.488 -1.974 164 HA LEU 20 HA LEU 20 -7.964 -0.134 -1.041 165 HB2 LEU 20 HB2 LEU 20 -5.317 0.619 0.009 166 HB3 LEU 20 HB1 LEU 20 -6.637 1.165 1.034 167 HG LEU 20 HG LEU 20 -6.568 -1.662 -0.010 168 HD11 LEU 20 HD11 LEU 20 -4.419 -1.313 1.104 169 HD12 LEU 20 HD12 LEU 20 -5.464 -2.299 2.129 170 HD13 LEU 20 HD13 LEU 20 -5.231 -0.589 2.494 171 HD21 LEU 20 HD21 LEU 20 -7.621 -0.679 2.640 172 HD22 LEU 20 HD22 LEU 20 -8.119 -2.089 1.707 173 HD23 LEU 20 HD23 LEU 20 -8.581 -0.473 1.174 174 H LEU 21 HN LEU 21 -6.253 2.951 -1.534 175 HA LEU 21 HA LEU 21 -8.058 4.744 -0.290 176 HB2 LEU 21 HB2 LEU 21 -5.719 5.100 -1.281 177 HB3 LEU 21 HB1 LEU 21 -6.521 5.263 -2.841 178 HG LEU 21 HG LEU 21 -7.993 7.046 -1.722 179 HD11 LEU 21 HD11 LEU 21 -5.874 6.601 0.381 180 HD12 LEU 21 HD12 LEU 21 -7.622 6.714 0.588 181 HD13 LEU 21 HD13 LEU 21 -6.682 8.160 0.217 182 HD21 LEU 21 HD21 LEU 21 -6.095 7.510 -3.299 183 HD22 LEU 21 HD22 LEU 21 -5.016 7.620 -1.908 184 HD23 LEU 21 HD23 LEU 21 -6.327 8.784 -2.102 185 H ALA 22 HN ALA 22 -8.148 3.285 -3.507 186 HA ALA 22 HA ALA 22 -10.650 4.740 -4.206 187 HB1 ALA 22 HB1 ALA 22 -10.219 3.893 -6.422 188 HB2 ALA 22 HB2 ALA 22 -9.071 2.704 -5.804 189 HB3 ALA 22 HB3 ALA 22 -8.668 4.421 -5.767 190 H LEU 23 HN LEU 23 -10.298 2.371 -2.158 191 HA LEU 23 HA LEU 23 -12.438 0.589 -3.239 192 HB2 LEU 23 HB2 LEU 23 -9.799 0.159 -2.036 193 HB3 LEU 23 HB1 LEU 23 -11.055 -0.756 -1.226 194 HG LEU 23 HG LEU 23 -9.872 -1.934 -3.143 195 HD11 LEU 23 HD11 LEU 23 -12.830 -1.650 -3.647 196 HD12 LEU 23 HD12 LEU 23 -12.204 -2.460 -2.210 197 HD13 LEU 23 HD13 LEU 23 -11.819 -3.085 -3.813 198 HD21 LEU 23 HD21 LEU 23 -10.429 -1.363 -5.406 199 HD22 LEU 23 HD22 LEU 23 -9.888 0.128 -4.635 200 HD23 LEU 23 HD23 LEU 23 -11.610 -0.162 -4.882 201 HA PRO 24 HA PRO 24 -14.573 1.849 0.449 202 HB2 PRO 24 HB2 PRO 24 -16.571 -0.016 0.390 203 HB3 PRO 24 HB1 PRO 24 -16.478 1.352 -0.735 204 HG2 PRO 24 HG2 PRO 24 -16.000 -1.487 -1.220 205 HG3 PRO 24 HG1 PRO 24 -16.371 -0.190 -2.363 206 HD2 PRO 24 HD2 PRO 24 -13.830 -1.367 -1.790 207 HD3 PRO 24 HD1 PRO 24 -14.187 -0.065 -2.942 208 HA PRO 25 HA PRO 25 -12.611 -0.968 3.380 209 HB2 PRO 25 HB2 PRO 25 -12.963 0.603 5.587 210 HB3 PRO 25 HB1 PRO 25 -11.690 0.884 4.383 211 HG2 PRO 25 HG2 PRO 25 -14.295 2.264 4.729 212 HG3 PRO 25 HG1 PRO 25 -12.716 2.921 4.269 213 HD2 PRO 25 HD2 PRO 25 -14.722 2.425 2.493 214 HD3 PRO 25 HD1 PRO 25 -12.996 2.420 2.066 215 H ARG 26 HN ARG 26 -13.394 -1.510 5.854 216 HA ARG 26 HA ARG 26 -14.982 -2.492 7.267 217 HB2 ARG 26 HB2 ARG 26 -16.271 -0.332 6.072 218 HB3 ARG 26 HB1 ARG 26 -17.375 -1.678 5.797 219 HG2 ARG 26 HG2 ARG 26 -17.257 -2.236 8.218 220 HG3 ARG 26 HG1 ARG 26 -16.226 -0.829 8.474 221 HD2 ARG 26 HD2 ARG 26 -19.009 -0.662 7.266 222 HD3 ARG 26 HD1 ARG 26 -18.661 -0.389 8.984 223 HE ARG 26 HE ARG 26 -16.838 1.245 7.636 224 HH11 ARG 26 HH11 ARG 26 -18.877 1.576 5.518 225 HH12 ARG 26 HH12 ARG 26 -19.836 2.891 6.103 226 HH21 ARG 26 HH21 ARG 26 -18.665 2.620 9.375 227 HH22 ARG 26 HH22 ARG 26 -19.715 3.489 8.309 228 H ALA 27 HN ALA 27 -14.001 -3.756 4.681 229 HA ALA 27 HA ALA 27 -16.024 -5.950 4.575 230 HB1 ALA 27 HB1 ALA 27 -15.738 -5.932 2.082 231 HB2 ALA 27 HB2 ALA 27 -14.761 -4.471 2.240 232 HB3 ALA 27 HB3 ALA 27 -16.466 -4.446 2.695 233 H TYR 28 HN TYR 28 -14.051 -6.515 6.106 234 HA TYR 28 HA TYR 28 -12.186 -7.861 6.524 235 HB2 TYR 28 HB2 TYR 28 -13.062 -8.764 3.767 236 HB3 TYR 28 HB1 TYR 28 -11.750 -9.552 4.637 237 HD1 TYR 28 HD1 TYR 28 -12.169 -10.772 6.735 238 HD2 TYR 28 HD2 TYR 28 -15.370 -8.951 4.523 239 HE1 TYR 28 HE1 TYR 28 -13.819 -12.078 8.047 240 HE2 TYR 28 HE2 TYR 28 -17.018 -10.256 5.834 241 HH TYR 28 HH TYR 28 -16.593 -12.810 7.299 242 H ALA 29 HN ALA 29 -11.044 -5.718 6.443 243 HA ALA 29 HA ALA 29 -9.137 -4.469 5.920 244 HB1 ALA 29 HB1 ALA 29 -8.275 -6.648 4.044 245 HB2 ALA 29 HB2 ALA 29 -8.400 -6.999 5.767 246 HB3 ALA 29 HB3 ALA 29 -7.316 -5.729 5.203 Start of MODEL 13 1 H1 ARG 1 HT1 ARG 1 16.629 -3.804 -5.577 2 H2 ARG 1 HT2 ARG 1 16.919 -2.430 -6.530 3 H3 ARG 1 HT3 ARG 1 17.175 -2.374 -4.850 4 HA ARG 1 HA ARG 1 18.720 -4.074 -6.756 5 HB2 ARG 1 HB2 ARG 1 19.011 -1.309 -5.654 6 HB3 ARG 1 HB1 ARG 1 20.475 -2.277 -5.823 7 HG2 ARG 1 HG2 ARG 1 20.112 -2.574 -8.182 8 HG3 ARG 1 HG1 ARG 1 18.490 -1.889 -8.079 9 HD2 ARG 1 HD2 ARG 1 19.789 -0.092 -8.914 10 HD3 ARG 1 HD1 ARG 1 19.704 0.252 -7.177 11 HE ARG 1 HE ARG 1 22.002 -1.355 -8.193 12 HH11 ARG 1 HH11 ARG 1 22.012 -0.407 -5.389 13 HH12 ARG 1 HH12 ARG 1 22.956 1.041 -5.471 14 HH21 ARG 1 HH21 ARG 1 22.652 1.345 -8.930 15 HH22 ARG 1 HH22 ARG 1 23.322 2.042 -7.496 16 H LEU 2 HN LEU 2 18.733 -5.907 -5.387 17 HA LEU 2 HA LEU 2 19.310 -7.275 -3.574 18 HB2 LEU 2 HB2 LEU 2 21.482 -6.343 -4.437 19 HB3 LEU 2 HB1 LEU 2 21.396 -5.111 -3.179 20 HG LEU 2 HG LEU 2 21.137 -7.100 -1.534 21 HD11 LEU 2 HD11 LEU 2 20.731 -8.876 -3.125 22 HD12 LEU 2 HD12 LEU 2 22.303 -9.169 -2.382 23 HD13 LEU 2 HD13 LEU 2 22.209 -8.489 -4.007 24 HD21 LEU 2 HD21 LEU 2 23.633 -7.416 -1.503 25 HD22 LEU 2 HD22 LEU 2 23.142 -5.725 -1.592 26 HD23 LEU 2 HD23 LEU 2 23.715 -6.554 -3.039 27 H VAL 3 HN VAL 3 17.227 -6.599 -2.498 28 HA VAL 3 HA VAL 3 17.786 -5.103 0.038 29 HB VAL 3 HB VAL 3 15.409 -4.298 -0.137 30 HG11 VAL 3 HG11 VAL 3 17.462 -3.012 -0.918 31 HG12 VAL 3 HG12 VAL 3 15.932 -2.515 -1.639 32 HG13 VAL 3 HG13 VAL 3 17.052 -3.523 -2.555 33 HG21 VAL 3 HG21 VAL 3 14.272 -4.425 -2.308 34 HG22 VAL 3 HG22 VAL 3 14.587 -6.055 -1.714 35 HG23 VAL 3 HG23 VAL 3 15.605 -5.365 -2.979 36 HA PRO 4 HA PRO 4 16.258 -9.060 1.536 37 HB2 PRO 4 HB2 PRO 4 17.371 -8.862 4.017 38 HB3 PRO 4 HB1 PRO 4 18.294 -9.312 2.572 39 HG2 PRO 4 HG2 PRO 4 18.321 -6.815 4.095 40 HG3 PRO 4 HG1 PRO 4 19.543 -7.498 3.018 41 HD2 PRO 4 HD2 PRO 4 17.685 -5.418 2.446 42 HD3 PRO 4 HD1 PRO 4 18.866 -6.162 1.347 43 H GLY 5 HN GLY 5 14.083 -7.643 1.418 44 HA2 GLY 5 HA2 GLY 5 12.035 -7.561 2.652 45 HA3 GLY 5 HA1 GLY 5 12.953 -7.651 4.150 46 H ALA 6 HN ALA 6 14.768 -5.413 3.428 47 HA ALA 6 HA ALA 6 13.491 -3.218 4.595 48 HB1 ALA 6 HB1 ALA 6 15.665 -3.166 2.489 49 HB2 ALA 6 HB2 ALA 6 15.930 -3.539 4.192 50 HB3 ALA 6 HB3 ALA 6 15.369 -1.937 3.718 51 H ALA 7 HN ALA 7 13.847 -3.836 1.119 52 HA ALA 7 HA ALA 7 11.776 -1.737 0.574 53 HB1 ALA 7 HB1 ALA 7 14.136 -2.846 -0.945 54 HB2 ALA 7 HB2 ALA 7 13.793 -1.171 -0.519 55 HB3 ALA 7 HB3 ALA 7 12.857 -1.968 -1.784 56 H TYR 8 HN TYR 8 11.181 -4.507 1.427 57 HA TYR 8 HA TYR 8 9.916 -5.616 -1.049 58 HB2 TYR 8 HB2 TYR 8 11.585 -6.755 0.926 59 HB3 TYR 8 HB1 TYR 8 9.972 -7.386 1.254 60 HD1 TYR 8 HD2 TYR 8 8.657 -8.432 -0.670 61 HD2 TYR 8 HD1 TYR 8 12.858 -7.558 -0.904 62 HE1 TYR 8 HE2 TYR 8 8.876 -9.990 -2.584 63 HE2 TYR 8 HE1 TYR 8 13.075 -9.118 -2.819 64 HH TYR 8 HH TYR 8 10.793 -10.071 -4.678 65 H ALA 9 HN ALA 9 9.418 -5.260 2.449 66 HA ALA 9 HA ALA 9 6.526 -5.622 2.290 67 HB1 ALA 9 HB1 ALA 9 8.337 -4.538 4.476 68 HB2 ALA 9 HB2 ALA 9 7.878 -6.230 4.277 69 HB3 ALA 9 HB3 ALA 9 6.657 -5.028 4.698 70 H LEU 10 HN LEU 10 8.741 -2.906 2.713 71 HA LEU 10 HA LEU 10 6.868 -0.769 2.985 72 HB2 LEU 10 HB2 LEU 10 9.644 -1.143 2.835 73 HB3 LEU 10 HB1 LEU 10 9.275 -0.117 1.451 74 HG LEU 10 HG LEU 10 8.136 0.506 4.171 75 HD11 LEU 10 HD11 LEU 10 10.041 1.777 4.759 76 HD12 LEU 10 HD12 LEU 10 10.711 1.691 3.130 77 HD13 LEU 10 HD13 LEU 10 10.709 0.259 4.159 78 HD21 LEU 10 HD21 LEU 10 8.860 2.208 1.759 79 HD22 LEU 10 HD22 LEU 10 8.058 2.778 3.224 80 HD23 LEU 10 HD23 LEU 10 7.234 1.646 2.151 81 H TYR 11 HN TYR 11 8.481 -2.076 0.071 82 HA TYR 11 HA TYR 11 7.098 -0.369 -1.808 83 HB2 TYR 11 HB2 TYR 11 8.897 -2.752 -1.864 84 HB3 TYR 11 HB1 TYR 11 8.010 -2.365 -3.335 85 HD1 TYR 11 HD1 TYR 11 10.312 -0.922 -0.774 86 HD2 TYR 11 HD2 TYR 11 8.673 -0.559 -4.729 87 HE1 TYR 11 HE1 TYR 11 11.924 0.892 -1.276 88 HE2 TYR 11 HE2 TYR 11 10.286 1.255 -5.228 89 HH TYR 11 HH TYR 11 11.638 3.040 -3.516 90 H GLY 12 HN GLY 12 6.431 -3.564 -0.488 91 HA2 GLY 12 HA2 GLY 12 4.310 -4.204 -2.370 92 HA3 GLY 12 HA1 GLY 12 4.667 -5.075 -0.881 93 H VAL 13 HN VAL 13 4.437 -2.803 0.903 94 HA VAL 13 HA VAL 13 1.533 -2.749 1.215 95 HB VAL 13 HB VAL 13 3.895 -1.607 2.718 96 HG11 VAL 13 HG11 VAL 13 0.956 -1.183 3.165 97 HG12 VAL 13 HG12 VAL 13 2.294 -0.054 3.377 98 HG13 VAL 13 HG13 VAL 13 2.027 -1.334 4.559 99 HG21 VAL 13 HG21 VAL 13 3.195 -4.135 2.655 100 HG22 VAL 13 HG22 VAL 13 1.896 -3.615 3.728 101 HG23 VAL 13 HG23 VAL 13 3.578 -3.385 4.204 102 H TRP 14 HN TRP 14 3.869 -0.611 -0.237 103 HA TRP 14 HA TRP 14 2.576 1.893 0.079 104 HB2 TRP 14 HB2 TRP 14 4.841 0.930 -1.189 105 HB3 TRP 14 HB1 TRP 14 3.858 1.526 -2.529 106 HD1 TRP 14 HD1 TRP 14 6.067 2.697 0.215 107 HE1 TRP 14 HE1 TRP 14 5.998 5.275 0.374 108 HE3 TRP 14 HE3 TRP 14 2.082 3.660 -2.823 109 HZ2 TRP 14 HZ2 TRP 14 4.435 7.453 -0.664 110 HZ3 TRP 14 HZ3 TRP 14 1.336 5.984 -3.216 111 HH2 TRP 14 HH2 TRP 14 2.502 7.877 -2.145 112 HA PRO 15 HA PRO 15 0.101 1.209 -3.936 113 HB2 PRO 15 HB2 PRO 15 -0.049 -1.289 -5.023 114 HB3 PRO 15 HB1 PRO 15 1.207 -0.114 -5.466 115 HG2 PRO 15 HG2 PRO 15 1.371 -2.460 -3.657 116 HG3 PRO 15 HG1 PRO 15 2.574 -1.808 -4.780 117 HD2 PRO 15 HD2 PRO 15 2.634 -1.412 -2.078 118 HD3 PRO 15 HD1 PRO 15 3.378 -0.318 -3.264 119 H LEU 16 HN LEU 16 0.086 -1.115 -1.311 120 HA LEU 16 HA LEU 16 -2.673 -1.989 -1.732 121 HB2 LEU 16 HB2 LEU 16 -0.405 -2.606 0.005 122 HB3 LEU 16 HB1 LEU 16 -1.941 -2.616 0.874 123 HG LEU 16 HG LEU 16 -2.760 -3.983 -1.246 124 HD11 LEU 16 HD11 LEU 16 -1.094 -5.254 -2.337 125 HD12 LEU 16 HD12 LEU 16 0.126 -4.857 -1.128 126 HD13 LEU 16 HD13 LEU 16 -0.411 -3.629 -2.274 127 HD21 LEU 16 HD21 LEU 16 -0.966 -5.459 0.677 128 HD22 LEU 16 HD22 LEU 16 -2.545 -5.933 0.050 129 HD23 LEU 16 HD23 LEU 16 -2.424 -4.660 1.264 130 H LEU 17 HN LEU 17 -1.177 -0.031 0.884 131 HA LEU 17 HA LEU 17 -3.719 0.741 1.952 132 HB2 LEU 17 HB2 LEU 17 -2.506 1.955 3.501 133 HB3 LEU 17 HB1 LEU 17 -1.285 0.839 2.942 134 HG LEU 17 HG LEU 17 -0.332 3.040 3.163 135 HD11 LEU 17 HD11 LEU 17 0.911 2.438 1.424 136 HD12 LEU 17 HD12 LEU 17 -0.134 3.451 0.432 137 HD13 LEU 17 HD13 LEU 17 -0.462 1.728 0.583 138 HD21 LEU 17 HD21 LEU 17 -1.895 4.338 1.019 139 HD22 LEU 17 HD22 LEU 17 -1.284 4.999 2.534 140 HD23 LEU 17 HD23 LEU 17 -2.775 4.060 2.523 141 H LEU 18 HN LEU 18 -1.923 1.979 -0.733 142 HA LEU 18 HA LEU 18 -3.312 4.516 -1.004 143 HB2 LEU 18 HB2 LEU 18 -1.158 3.119 -2.182 144 HB3 LEU 18 HB1 LEU 18 -2.328 3.314 -3.480 145 HG LEU 18 HG LEU 18 -2.471 5.781 -2.772 146 HD11 LEU 18 HD11 LEU 18 -0.307 6.569 -1.673 147 HD12 LEU 18 HD12 LEU 18 -0.012 4.887 -1.241 148 HD13 LEU 18 HD13 LEU 18 -1.427 5.724 -0.607 149 HD21 LEU 18 HD21 LEU 18 0.109 4.630 -3.880 150 HD22 LEU 18 HD22 LEU 18 -0.364 6.325 -4.007 151 HD23 LEU 18 HD23 LEU 18 -1.321 5.081 -4.809 152 H LEU 19 HN LEU 19 -3.757 1.194 -2.213 153 HA LEU 19 HA LEU 19 -5.997 1.713 -3.962 154 HB2 LEU 19 HB2 LEU 19 -4.345 -0.336 -3.614 155 HB3 LEU 19 HB1 LEU 19 -5.584 -0.873 -2.489 156 HG LEU 19 HG LEU 19 -7.175 -0.227 -4.559 157 HD11 LEU 19 HD11 LEU 19 -4.532 -1.052 -5.799 158 HD12 LEU 19 HD12 LEU 19 -5.357 0.490 -6.022 159 HD13 LEU 19 HD13 LEU 19 -6.070 -0.990 -6.661 160 HD21 LEU 19 HD21 LEU 19 -5.768 -2.710 -3.720 161 HD22 LEU 19 HD22 LEU 19 -6.540 -2.758 -5.304 162 HD23 LEU 19 HD23 LEU 19 -7.497 -2.390 -3.869 163 H LEU 20 HN LEU 20 -5.693 0.567 -0.640 164 HA LEU 20 HA LEU 20 -8.429 0.200 0.047 165 HB2 LEU 20 HB2 LEU 20 -5.898 0.137 1.273 166 HB3 LEU 20 HB1 LEU 20 -6.816 1.307 2.207 167 HG LEU 20 HG LEU 20 -7.115 -0.916 3.160 168 HD11 LEU 20 HD11 LEU 20 -9.066 0.780 2.910 169 HD12 LEU 20 HD12 LEU 20 -9.450 -0.878 3.373 170 HD13 LEU 20 HD13 LEU 20 -9.691 -0.349 1.708 171 HD21 LEU 20 HD21 LEU 20 -6.766 -2.490 1.482 172 HD22 LEU 20 HD22 LEU 20 -7.749 -1.617 0.308 173 HD23 LEU 20 HD23 LEU 20 -8.524 -2.527 1.602 174 H LEU 21 HN LEU 21 -6.416 3.129 0.168 175 HA LEU 21 HA LEU 21 -8.167 4.915 1.484 176 HB2 LEU 21 HB2 LEU 21 -5.748 5.208 0.862 177 HB3 LEU 21 HB1 LEU 21 -6.268 5.513 -0.793 178 HG LEU 21 HG LEU 21 -7.688 7.122 1.238 179 HD11 LEU 21 HD11 LEU 21 -5.350 7.011 2.163 180 HD12 LEU 21 HD12 LEU 21 -5.850 8.633 1.685 181 HD13 LEU 21 HD13 LEU 21 -4.771 7.701 0.647 182 HD21 LEU 21 HD21 LEU 21 -7.118 8.905 -0.457 183 HD22 LEU 21 HD22 LEU 21 -8.003 7.537 -1.131 184 HD23 LEU 21 HD23 LEU 21 -6.263 7.672 -1.385 185 H ALA 22 HN ALA 22 -8.132 3.914 -1.903 186 HA ALA 22 HA ALA 22 -10.490 5.687 -2.453 187 HB1 ALA 22 HB1 ALA 22 -9.723 5.766 -4.676 188 HB2 ALA 22 HB2 ALA 22 -8.774 4.291 -4.496 189 HB3 ALA 22 HB3 ALA 22 -8.235 5.786 -3.729 190 H LEU 23 HN LEU 23 -10.522 2.854 -1.185 191 HA LEU 23 HA LEU 23 -12.212 1.533 -3.275 192 HB2 LEU 23 HB2 LEU 23 -10.046 0.436 -2.610 193 HB3 LEU 23 HB1 LEU 23 -10.717 0.261 -0.990 194 HG LEU 23 HG LEU 23 -12.729 -0.878 -2.208 195 HD11 LEU 23 HD11 LEU 23 -11.628 -0.183 -4.474 196 HD12 LEU 23 HD12 LEU 23 -12.339 -1.792 -4.335 197 HD13 LEU 23 HD13 LEU 23 -10.593 -1.585 -4.209 198 HD21 LEU 23 HD21 LEU 23 -10.666 -1.844 -0.796 199 HD22 LEU 23 HD22 LEU 23 -10.266 -2.570 -2.354 200 HD23 LEU 23 HD23 LEU 23 -11.822 -2.910 -1.593 201 HA PRO 24 HA PRO 24 -15.377 2.179 -0.252 202 HB2 PRO 24 HB2 PRO 24 -17.447 1.280 -1.807 203 HB3 PRO 24 HB1 PRO 24 -16.706 2.885 -1.919 204 HG2 PRO 24 HG2 PRO 24 -16.472 0.602 -3.735 205 HG3 PRO 24 HG1 PRO 24 -16.192 2.317 -4.027 206 HD2 PRO 24 HD2 PRO 24 -14.230 0.310 -3.599 207 HD3 PRO 24 HD1 PRO 24 -13.964 2.048 -3.784 208 HA PRO 25 HA PRO 25 -16.960 -2.194 0.575 209 HB2 PRO 25 HB2 PRO 25 -16.293 -4.314 -1.010 210 HB3 PRO 25 HB1 PRO 25 -17.725 -3.304 -1.298 211 HG2 PRO 25 HG2 PRO 25 -15.090 -3.275 -2.656 212 HG3 PRO 25 HG1 PRO 25 -16.712 -3.022 -3.322 213 HD2 PRO 25 HD2 PRO 25 -14.952 -1.012 -2.781 214 HD3 PRO 25 HD1 PRO 25 -16.717 -0.813 -2.819 215 H ARG 26 HN ARG 26 -15.811 -4.547 1.069 216 HA ARG 26 HA ARG 26 -14.086 -5.646 2.195 217 HB2 ARG 26 HB2 ARG 26 -12.659 -4.015 0.106 218 HB3 ARG 26 HB1 ARG 26 -11.762 -5.045 1.214 219 HG2 ARG 26 HG2 ARG 26 -12.308 -6.884 0.039 220 HG3 ARG 26 HG1 ARG 26 -14.024 -6.500 0.161 221 HD2 ARG 26 HD2 ARG 26 -13.566 -6.503 -2.182 222 HD3 ARG 26 HD1 ARG 26 -13.583 -4.785 -1.738 223 HE ARG 26 HE ARG 26 -11.056 -4.987 -1.508 224 HH11 ARG 26 HH21 ARG 26 -11.746 -4.960 -4.390 225 HH12 ARG 26 HH22 ARG 26 -10.931 -6.362 -4.996 226 HH21 ARG 26 HH11 ARG 26 -10.489 -7.775 -1.838 227 HH22 ARG 26 HH12 ARG 26 -10.212 -7.973 -3.535 228 H ALA 27 HN ALA 27 -15.066 -3.833 3.818 229 HA ALA 27 HA ALA 27 -12.787 -2.211 4.909 230 HB1 ALA 27 HB1 ALA 27 -14.629 -0.911 5.979 231 HB2 ALA 27 HB2 ALA 27 -15.801 -1.995 5.232 232 HB3 ALA 27 HB3 ALA 27 -14.789 -0.961 4.223 233 H TYR 28 HN TYR 28 -12.757 -4.966 5.441 234 HA TYR 28 HA TYR 28 -12.917 -5.020 8.361 235 HB2 TYR 28 HB2 TYR 28 -14.545 -6.898 8.441 236 HB3 TYR 28 HB1 TYR 28 -15.250 -5.426 7.790 237 HD1 TYR 28 HD1 TYR 28 -15.639 -5.209 5.324 238 HD2 TYR 28 HD2 TYR 28 -14.317 -8.885 7.109 239 HE1 TYR 28 HE1 TYR 28 -16.286 -6.438 3.271 240 HE2 TYR 28 HE2 TYR 28 -14.965 -10.114 5.055 241 HH TYR 28 HH TYR 28 -16.891 -9.425 3.033 242 H ALA 29 HN ALA 29 -12.445 -6.962 5.375 243 HA ALA 29 HA ALA 29 -10.471 -8.656 6.863 244 HB1 ALA 29 HB1 ALA 29 -12.004 -9.115 4.285 245 HB2 ALA 29 HB2 ALA 29 -12.403 -9.806 5.857 246 HB3 ALA 29 HB3 ALA 29 -10.911 -10.272 5.042 Start of MODEL 14 1 H1 ARG 1 HT1 ARG 1 22.724 4.735 -0.967 2 H2 ARG 1 HT2 ARG 1 21.122 5.200 -0.649 3 H3 ARG 1 HT3 ARG 1 22.139 6.215 -1.553 4 HA ARG 1 HA ARG 1 20.520 4.988 -2.959 5 HB2 ARG 1 HB2 ARG 1 23.497 4.901 -3.125 6 HB3 ARG 1 HB1 ARG 1 22.609 3.931 -4.300 7 HG2 ARG 1 HG2 ARG 1 21.295 5.921 -4.954 8 HG3 ARG 1 HG1 ARG 1 22.202 6.896 -3.797 9 HD2 ARG 1 HD2 ARG 1 23.674 5.309 -5.899 10 HD3 ARG 1 HD1 ARG 1 22.992 6.900 -6.289 11 HE ARG 1 HE ARG 1 24.988 6.427 -4.106 12 HH11 ARG 1 HH21 ARG 1 25.929 7.784 -6.560 13 HH12 ARG 1 HH22 ARG 1 25.753 9.460 -6.170 14 HH21 ARG 1 HH11 ARG 1 23.612 8.873 -3.484 15 HH22 ARG 1 HH12 ARG 1 24.428 10.083 -4.412 16 H LEU 2 HN LEU 2 19.643 2.999 -3.530 17 HA LEU 2 HA LEU 2 19.101 0.730 -3.435 18 HB2 LEU 2 HB2 LEU 2 21.767 0.873 -3.914 19 HB3 LEU 2 HB1 LEU 2 21.784 -0.025 -2.397 20 HG LEU 2 HG LEU 2 19.992 -0.810 -4.704 21 HD11 LEU 2 HD11 LEU 2 22.175 -0.959 -5.643 22 HD12 LEU 2 HD12 LEU 2 21.794 -2.591 -5.096 23 HD13 LEU 2 HD13 LEU 2 22.864 -1.567 -4.139 24 HD21 LEU 2 HD21 LEU 2 20.271 -3.061 -3.495 25 HD22 LEU 2 HD22 LEU 2 19.326 -1.837 -2.648 26 HD23 LEU 2 HD23 LEU 2 20.997 -2.144 -2.175 27 H VAL 3 HN VAL 3 17.630 0.697 -1.746 28 HA VAL 3 HA VAL 3 18.285 0.960 1.046 29 HB VAL 3 HB VAL 3 15.964 0.066 1.367 30 HG11 VAL 3 HG11 VAL 3 14.957 1.878 -0.324 31 HG12 VAL 3 HG12 VAL 3 16.657 2.332 -0.437 32 HG13 VAL 3 HG13 VAL 3 15.844 2.340 1.127 33 HG21 VAL 3 HG21 VAL 3 14.922 -1.135 -0.235 34 HG22 VAL 3 HG22 VAL 3 16.419 -1.110 -1.164 35 HG23 VAL 3 HG23 VAL 3 15.195 0.131 -1.431 36 HA PRO 4 HA PRO 4 19.516 -3.216 1.917 37 HB2 PRO 4 HB2 PRO 4 19.333 -3.133 4.635 38 HB3 PRO 4 HB1 PRO 4 20.581 -2.268 3.721 39 HG2 PRO 4 HG2 PRO 4 18.272 -1.214 5.151 40 HG3 PRO 4 HG1 PRO 4 19.740 -0.391 4.613 41 HD2 PRO 4 HD2 PRO 4 17.139 -0.377 3.398 42 HD3 PRO 4 HD1 PRO 4 18.600 0.505 2.902 43 H GLY 5 HN GLY 5 16.599 -2.965 1.249 44 HA2 GLY 5 HA2 GLY 5 14.968 -4.732 1.262 45 HA3 GLY 5 HA1 GLY 5 15.641 -5.315 2.782 46 H ALA 6 HN ALA 6 15.625 -2.765 4.162 47 HA ALA 6 HA ALA 6 13.184 -2.715 5.480 48 HB1 ALA 6 HB1 ALA 6 15.187 -0.535 4.894 49 HB2 ALA 6 HB2 ALA 6 15.097 -1.562 6.325 50 HB3 ALA 6 HB3 ALA 6 13.866 -0.332 6.044 51 H ALA 7 HN ALA 7 14.054 -0.549 2.791 52 HA ALA 7 HA ALA 7 11.180 0.216 2.499 53 HB1 ALA 7 HB1 ALA 7 13.841 1.424 1.853 54 HB2 ALA 7 HB2 ALA 7 12.425 2.163 2.599 55 HB3 ALA 7 HB3 ALA 7 12.462 1.891 0.858 56 H TYR 8 HN TYR 8 12.326 -2.409 1.534 57 HA TYR 8 HA TYR 8 11.942 -2.093 -1.416 58 HB2 TYR 8 HB2 TYR 8 14.030 -3.188 -0.050 59 HB3 TYR 8 HB1 TYR 8 13.010 -4.609 -0.247 60 HD1 TYR 8 HD1 TYR 8 14.139 -1.664 -2.305 61 HD2 TYR 8 HD2 TYR 8 13.354 -5.885 -2.155 62 HE1 TYR 8 HE1 TYR 8 14.889 -1.888 -4.657 63 HE2 TYR 8 HE2 TYR 8 14.104 -6.106 -4.506 64 HH TYR 8 HH TYR 8 15.900 -4.341 -6.036 65 H ALA 9 HN ALA 9 11.391 -4.488 1.145 66 HA ALA 9 HA ALA 9 9.204 -5.829 -0.173 67 HB1 ALA 9 HB1 ALA 9 10.065 -5.669 2.732 68 HB2 ALA 9 HB2 ALA 9 10.567 -6.889 1.561 69 HB3 ALA 9 HB3 ALA 9 8.891 -6.827 2.108 70 H LEU 10 HN LEU 10 9.380 -3.318 2.294 71 HA LEU 10 HA LEU 10 6.599 -2.993 2.876 72 HB2 LEU 10 HB2 LEU 10 9.057 -1.855 3.608 73 HB3 LEU 10 HB1 LEU 10 8.162 -0.520 2.889 74 HG LEU 10 HG LEU 10 6.946 -2.345 4.974 75 HD11 LEU 10 HD11 LEU 10 9.054 -1.066 5.722 76 HD12 LEU 10 HD12 LEU 10 7.590 -0.822 6.673 77 HD13 LEU 10 HD13 LEU 10 8.096 0.398 5.505 78 HD21 LEU 10 HD21 LEU 10 5.320 -0.553 5.190 79 HD22 LEU 10 HD22 LEU 10 5.459 -0.952 3.479 80 HD23 LEU 10 HD23 LEU 10 6.256 0.487 4.117 81 H TYR 11 HN TYR 11 8.708 -1.392 0.483 82 HA TYR 11 HA TYR 11 6.728 0.361 -0.633 83 HB2 TYR 11 HB2 TYR 11 9.410 -0.724 -1.426 84 HB3 TYR 11 HB1 TYR 11 8.469 0.163 -2.620 85 HD1 TYR 11 HD1 TYR 11 8.967 0.613 1.092 86 HD2 TYR 11 HD2 TYR 11 9.289 2.330 -2.836 87 HE1 TYR 11 HE1 TYR 11 9.698 2.756 2.089 88 HE2 TYR 11 HE2 TYR 11 10.021 4.475 -1.832 89 HH TYR 11 HH TYR 11 11.255 4.885 0.932 90 H GLY 12 HN GLY 12 7.497 -3.007 -1.217 91 HA2 GLY 12 HA2 GLY 12 6.149 -3.299 -3.744 92 HA3 GLY 12 HA1 GLY 12 6.546 -4.615 -2.638 93 H VAL 13 HN VAL 13 5.101 -3.752 -0.354 94 HA VAL 13 HA VAL 13 2.350 -4.380 -1.240 95 HB VAL 13 HB VAL 13 1.947 -4.753 1.168 96 HG11 VAL 13 HG11 VAL 13 3.396 -6.680 1.425 97 HG12 VAL 13 HG12 VAL 13 4.540 -6.024 0.254 98 HG13 VAL 13 HG13 VAL 13 2.935 -6.535 -0.271 99 HG21 VAL 13 HG21 VAL 13 3.754 -2.921 1.772 100 HG22 VAL 13 HG22 VAL 13 4.869 -4.287 1.723 101 HG23 VAL 13 HG23 VAL 13 3.509 -4.299 2.845 102 H TRP 14 HN TRP 14 4.051 -1.530 -0.694 103 HA TRP 14 HA TRP 14 2.326 0.137 0.792 104 HB2 TRP 14 HB2 TRP 14 4.608 0.696 -0.020 105 HB3 TRP 14 HB1 TRP 14 3.982 0.837 -1.650 106 HD1 TRP 14 HD1 TRP 14 3.894 3.312 -2.198 107 HE1 TRP 14 HE1 TRP 14 2.990 5.427 -1.038 108 HE3 TRP 14 HE3 TRP 14 2.505 1.333 2.300 109 HZ2 TRP 14 HZ2 TRP 14 1.832 6.184 1.466 110 HZ3 TRP 14 HZ3 TRP 14 1.505 2.770 4.048 111 HH2 TRP 14 HH2 TRP 14 1.167 5.189 3.641 112 HA PRO 15 HA PRO 15 0.000 1.260 -3.256 113 HB2 PRO 15 HB2 PRO 15 0.214 -0.431 -5.393 114 HB3 PRO 15 HB1 PRO 15 1.270 0.975 -5.146 115 HG2 PRO 15 HG2 PRO 15 1.796 -1.899 -4.593 116 HG3 PRO 15 HG1 PRO 15 2.876 -0.656 -5.248 117 HD2 PRO 15 HD2 PRO 15 2.964 -1.490 -2.675 118 HD3 PRO 15 HD1 PRO 15 3.433 0.148 -3.172 119 H LEU 16 HN LEU 16 0.336 -2.095 -2.217 120 HA LEU 16 HA LEU 16 -2.284 -2.987 -3.058 121 HB2 LEU 16 HB2 LEU 16 -0.070 -3.933 -1.288 122 HB3 LEU 16 HB1 LEU 16 -1.661 -4.642 -1.020 123 HG LEU 16 HG LEU 16 -1.677 -4.980 -3.614 124 HD11 LEU 16 HD11 LEU 16 0.373 -3.633 -4.014 125 HD12 LEU 16 HD12 LEU 16 0.557 -5.292 -4.578 126 HD13 LEU 16 HD13 LEU 16 1.301 -4.790 -3.061 127 HD21 LEU 16 HD21 LEU 16 -1.512 -6.754 -1.813 128 HD22 LEU 16 HD22 LEU 16 0.243 -6.637 -1.949 129 HD23 LEU 16 HD23 LEU 16 -0.715 -7.177 -3.328 130 H LEU 17 HN LEU 17 -1.029 -1.904 0.103 131 HA LEU 17 HA LEU 17 -3.670 -1.898 1.310 132 HB2 LEU 17 HB2 LEU 17 -2.558 -1.024 3.243 133 HB3 LEU 17 HB1 LEU 17 -1.411 -2.119 2.486 134 HG LEU 17 HG LEU 17 -0.873 0.340 1.279 135 HD11 LEU 17 HD11 LEU 17 -0.591 1.894 3.171 136 HD12 LEU 17 HD12 LEU 17 -1.329 0.716 4.256 137 HD13 LEU 17 HD13 LEU 17 -2.289 1.457 2.975 138 HD21 LEU 17 HD21 LEU 17 1.014 0.206 3.221 139 HD22 LEU 17 HD22 LEU 17 1.025 -0.835 1.799 140 HD23 LEU 17 HD23 LEU 17 0.366 -1.431 3.320 141 H LEU 18 HN LEU 18 -1.791 0.382 -0.528 142 HA LEU 18 HA LEU 18 -3.299 2.788 0.056 143 HB2 LEU 18 HB2 LEU 18 -1.334 1.781 -1.974 144 HB3 LEU 18 HB1 LEU 18 -2.281 3.186 -2.422 145 HG LEU 18 HG LEU 18 0.080 3.370 -1.157 146 HD11 LEU 18 HD11 LEU 18 -1.008 5.546 -0.087 147 HD12 LEU 18 HD12 LEU 18 -2.357 5.080 -1.122 148 HD13 LEU 18 HD13 LEU 18 -0.768 5.385 -1.826 149 HD21 LEU 18 HD21 LEU 18 -1.803 3.680 1.177 150 HD22 LEU 18 HD22 LEU 18 -0.047 3.542 1.180 151 HD23 LEU 18 HD23 LEU 18 -1.037 2.126 0.852 152 H LEU 19 HN LEU 19 -3.478 0.189 -2.396 153 HA LEU 19 HA LEU 19 -5.677 1.251 -3.921 154 HB2 LEU 19 HB2 LEU 19 -3.951 -0.740 -4.278 155 HB3 LEU 19 HB1 LEU 19 -5.222 -1.691 -3.526 156 HG LEU 19 HG LEU 19 -6.816 -0.597 -5.233 157 HD11 LEU 19 HD11 LEU 19 -5.880 0.362 -7.198 158 HD12 LEU 19 HD12 LEU 19 -4.252 -0.172 -6.781 159 HD13 LEU 19 HD13 LEU 19 -5.014 1.129 -5.867 160 HD21 LEU 19 HD21 LEU 19 -5.942 -2.967 -5.294 161 HD22 LEU 19 HD22 LEU 19 -4.643 -2.401 -6.345 162 HD23 LEU 19 HD23 LEU 19 -6.320 -2.298 -6.881 163 H LEU 20 HN LEU 20 -5.458 -1.010 -1.215 164 HA LEU 20 HA LEU 20 -8.244 -1.615 -0.907 165 HB2 LEU 20 HB2 LEU 20 -5.815 -2.245 0.336 166 HB3 LEU 20 HB1 LEU 20 -6.724 -1.423 1.596 167 HG LEU 20 HG LEU 20 -7.191 -3.800 1.718 168 HD11 LEU 20 HD11 LEU 20 -9.562 -3.740 1.708 169 HD12 LEU 20 HD12 LEU 20 -9.608 -2.569 0.391 170 HD13 LEU 20 HD13 LEU 20 -9.069 -2.071 1.994 171 HD21 LEU 20 HD21 LEU 20 -6.628 -4.187 -0.745 172 HD22 LEU 20 HD22 LEU 20 -8.270 -3.654 -1.108 173 HD23 LEU 20 HD23 LEU 20 -8.007 -5.092 -0.123 174 H LEU 21 HN LEU 21 -6.213 0.933 0.563 175 HA LEU 21 HA LEU 21 -8.221 2.165 2.185 176 HB2 LEU 21 HB2 LEU 21 -5.658 2.465 2.131 177 HB3 LEU 21 HB1 LEU 21 -5.941 3.587 0.802 178 HG LEU 21 HG LEU 21 -7.660 4.031 3.168 179 HD11 LEU 21 HD11 LEU 21 -5.539 3.398 4.271 180 HD12 LEU 21 HD12 LEU 21 -5.876 5.118 4.469 181 HD13 LEU 21 HD13 LEU 21 -4.678 4.585 3.290 182 HD21 LEU 21 HD21 LEU 21 -7.345 5.460 1.025 183 HD22 LEU 21 HD22 LEU 21 -5.825 5.976 1.757 184 HD23 LEU 21 HD23 LEU 21 -7.353 6.304 2.573 185 H ALA 22 HN ALA 22 -7.354 2.544 -1.200 186 HA ALA 22 HA ALA 22 -9.181 4.794 -1.669 187 HB1 ALA 22 HB1 ALA 22 -8.327 4.582 -3.963 188 HB2 ALA 22 HB2 ALA 22 -7.586 3.035 -3.552 189 HB3 ALA 22 HB3 ALA 22 -6.996 4.521 -2.807 190 H LEU 23 HN LEU 23 -9.717 1.503 -1.275 191 HA LEU 23 HA LEU 23 -12.116 1.544 -3.075 192 HB2 LEU 23 HB2 LEU 23 -9.825 0.010 -3.173 193 HB3 LEU 23 HB1 LEU 23 -10.974 -1.030 -2.356 194 HG LEU 23 HG LEU 23 -10.992 -1.354 -4.825 195 HD11 LEU 23 HD11 LEU 23 -13.038 -1.737 -3.448 196 HD12 LEU 23 HD12 LEU 23 -13.398 -1.277 -5.112 197 HD13 LEU 23 HD13 LEU 23 -13.554 -0.090 -3.817 198 HD21 LEU 23 HD21 LEU 23 -11.660 0.369 -6.325 199 HD22 LEU 23 HD22 LEU 23 -10.477 1.130 -5.262 200 HD23 LEU 23 HD23 LEU 23 -12.199 1.415 -5.012 201 HA PRO 24 HA PRO 24 -13.083 0.587 1.507 202 HB2 PRO 24 HB2 PRO 24 -14.368 2.919 2.122 203 HB3 PRO 24 HB1 PRO 24 -12.620 2.686 2.340 204 HG2 PRO 24 HG2 PRO 24 -14.075 4.080 0.152 205 HG3 PRO 24 HG1 PRO 24 -12.556 4.513 0.957 206 HD2 PRO 24 HD2 PRO 24 -12.641 3.309 -1.498 207 HD3 PRO 24 HD1 PRO 24 -11.304 3.110 -0.356 208 HA PRO 25 HA PRO 25 -17.176 -0.581 0.264 209 HB2 PRO 25 HB2 PRO 25 -18.333 -1.012 2.700 210 HB3 PRO 25 HB1 PRO 25 -17.137 -2.111 1.983 211 HG2 PRO 25 HG2 PRO 25 -16.770 -0.033 4.076 212 HG3 PRO 25 HG1 PRO 25 -16.058 -1.651 3.950 213 HD2 PRO 25 HD2 PRO 25 -14.711 0.615 3.311 214 HD3 PRO 25 HD1 PRO 25 -14.391 -0.961 2.551 215 H ARG 26 HN ARG 26 -19.593 -0.042 0.956 216 HA ARG 26 HA ARG 26 -19.941 2.760 1.881 217 HB2 ARG 26 HB2 ARG 26 -19.598 2.181 -0.786 218 HB3 ARG 26 HB1 ARG 26 -21.353 2.140 -0.636 219 HG2 ARG 26 HG2 ARG 26 -21.489 4.378 -0.373 220 HG3 ARG 26 HG1 ARG 26 -20.169 4.404 0.794 221 HD2 ARG 26 HD2 ARG 26 -19.576 3.987 -2.136 222 HD3 ARG 26 HD1 ARG 26 -19.814 5.621 -1.491 223 HE ARG 26 HE ARG 26 -18.048 4.350 0.297 224 HH11 ARG 26 HH11 ARG 26 -17.731 6.743 -1.794 225 HH12 ARG 26 HH12 ARG 26 -16.219 6.278 -2.497 226 HH21 ARG 26 HH21 ARG 26 -16.271 3.066 -1.143 227 HH22 ARG 26 HH22 ARG 26 -15.389 4.182 -2.129 228 H ALA 27 HN ALA 27 -21.751 0.040 0.347 229 HA ALA 27 HA ALA 27 -23.760 0.239 2.553 230 HB1 ALA 27 HB1 ALA 27 -24.117 0.313 -0.430 231 HB2 ALA 27 HB2 ALA 27 -24.836 1.354 0.798 232 HB3 ALA 27 HB3 ALA 27 -25.412 -0.300 0.599 233 H TYR 28 HN TYR 28 -23.424 -1.814 -0.337 234 HA TYR 28 HA TYR 28 -22.867 -4.188 1.361 235 HB2 TYR 28 HB2 TYR 28 -25.460 -3.446 0.449 236 HB3 TYR 28 HB1 TYR 28 -24.966 -4.848 -0.497 237 HD1 TYR 28 HD1 TYR 28 -24.084 -6.904 0.735 238 HD2 TYR 28 HD2 TYR 28 -26.122 -3.679 2.713 239 HE1 TYR 28 HE1 TYR 28 -24.538 -8.379 2.675 240 HE2 TYR 28 HE2 TYR 28 -26.575 -5.156 4.652 241 HH TYR 28 HH TYR 28 -25.193 -7.480 5.549 242 H ALA 29 HN ALA 29 -23.877 -3.472 -2.018 243 HA ALA 29 HA ALA 29 -22.961 -4.088 -4.081 244 HB1 ALA 29 HB1 ALA 29 -21.206 -2.602 -3.123 245 HB2 ALA 29 HB2 ALA 29 -20.533 -3.829 -4.195 246 HB3 ALA 29 HB3 ALA 29 -20.404 -4.021 -2.448 Start of MODEL 15 1 H1 ARG 1 HT1 ARG 1 26.803 -3.463 3.278 2 H2 ARG 1 HT2 ARG 1 27.269 -2.051 2.458 3 H3 ARG 1 HT3 ARG 1 26.793 -3.430 1.584 4 HA ARG 1 HA ARG 1 25.044 -1.741 3.310 5 HB2 ARG 1 HB2 ARG 1 25.986 -1.283 0.791 6 HB3 ARG 1 HB1 ARG 1 24.538 -2.218 0.427 7 HG2 ARG 1 HG2 ARG 1 23.487 -0.547 2.250 8 HG3 ARG 1 HG1 ARG 1 24.791 0.485 1.658 9 HD2 ARG 1 HD2 ARG 1 23.933 0.546 -0.528 10 HD3 ARG 1 HD1 ARG 1 22.985 -0.937 -0.301 11 HE ARG 1 HE ARG 1 21.477 0.346 1.195 12 HH11 ARG 1 HH11 ARG 1 21.195 1.689 -1.435 13 HH12 ARG 1 HH12 ARG 1 21.452 3.356 -1.046 14 HH21 ARG 1 HH21 ARG 1 22.925 2.673 2.038 15 HH22 ARG 1 HH22 ARG 1 22.441 3.918 0.939 16 H LEU 2 HN LEU 2 22.744 -2.418 3.131 17 HA LEU 2 HA LEU 2 22.059 -5.049 2.093 18 HB2 LEU 2 HB2 LEU 2 21.809 -6.221 4.151 19 HB3 LEU 2 HB1 LEU 2 23.397 -5.490 4.194 20 HG LEU 2 HG LEU 2 22.479 -5.205 6.356 21 HD11 LEU 2 HD11 LEU 2 21.787 -2.536 5.159 22 HD12 LEU 2 HD12 LEU 2 23.455 -3.103 5.239 23 HD13 LEU 2 HD13 LEU 2 22.523 -2.895 6.719 24 HD21 LEU 2 HD21 LEU 2 20.035 -3.724 5.609 25 HD22 LEU 2 HD22 LEU 2 20.287 -4.936 6.862 26 HD23 LEU 2 HD23 LEU 2 20.026 -5.439 5.194 27 H VAL 3 HN VAL 3 19.732 -5.589 2.517 28 HA VAL 3 HA VAL 3 18.092 -3.194 3.268 29 HB VAL 3 HB VAL 3 17.529 -5.034 0.928 30 HG11 VAL 3 HG11 VAL 3 16.474 -2.301 1.703 31 HG12 VAL 3 HG12 VAL 3 15.594 -3.825 1.821 32 HG13 VAL 3 HG13 VAL 3 16.035 -3.181 0.239 33 HG21 VAL 3 HG21 VAL 3 19.552 -3.925 0.293 34 HG22 VAL 3 HG22 VAL 3 19.034 -2.406 1.023 35 HG23 VAL 3 HG23 VAL 3 18.257 -2.986 -0.449 36 HA PRO 4 HA PRO 4 15.970 -6.364 5.549 37 HB2 PRO 4 HB2 PRO 4 13.921 -4.835 6.510 38 HB3 PRO 4 HB1 PRO 4 15.582 -4.737 7.121 39 HG2 PRO 4 HG2 PRO 4 14.104 -2.864 5.419 40 HG3 PRO 4 HG1 PRO 4 15.479 -2.579 6.492 41 HD2 PRO 4 HD2 PRO 4 15.521 -2.827 3.677 42 HD3 PRO 4 HD1 PRO 4 16.918 -2.702 4.762 43 H GLY 5 HN GLY 5 15.402 -7.461 3.456 44 HA2 GLY 5 HA2 GLY 5 13.605 -8.716 2.487 45 HA3 GLY 5 HA1 GLY 5 12.480 -7.506 3.081 46 H ALA 6 HN ALA 6 15.318 -6.472 1.335 47 HA ALA 6 HA ALA 6 15.523 -5.245 -0.664 48 HB1 ALA 6 HB1 ALA 6 14.317 -6.477 -2.575 49 HB2 ALA 6 HB2 ALA 6 13.725 -7.580 -1.335 50 HB3 ALA 6 HB3 ALA 6 15.458 -7.421 -1.618 51 H ALA 7 HN ALA 7 13.682 -4.041 1.093 52 HA ALA 7 HA ALA 7 12.051 -2.368 1.145 53 HB1 ALA 7 HB1 ALA 7 12.099 -0.996 -0.685 54 HB2 ALA 7 HB2 ALA 7 11.844 -2.320 -1.821 55 HB3 ALA 7 HB3 ALA 7 13.445 -2.042 -1.135 56 H TYR 8 HN TYR 8 11.191 -5.337 0.836 57 HA TYR 8 HA TYR 8 8.712 -5.217 -0.701 58 HB2 TYR 8 HB2 TYR 8 10.218 -7.172 0.933 59 HB3 TYR 8 HB1 TYR 8 8.474 -7.392 0.960 60 HD1 TYR 8 HD2 TYR 8 11.270 -6.764 -1.473 61 HD2 TYR 8 HD1 TYR 8 7.452 -8.597 -0.752 62 HE1 TYR 8 HE2 TYR 8 11.353 -7.820 -3.713 63 HE2 TYR 8 HE1 TYR 8 7.537 -9.654 -2.992 64 HH TYR 8 HH TYR 8 10.139 -10.109 -4.712 65 H ALA 9 HN ALA 9 9.604 -4.831 2.687 66 HA ALA 9 HA ALA 9 6.804 -4.567 3.568 67 HB1 ALA 9 HB1 ALA 9 8.637 -5.671 4.896 68 HB2 ALA 9 HB2 ALA 9 7.805 -4.389 5.775 69 HB3 ALA 9 HB3 ALA 9 9.394 -4.087 5.071 70 H LEU 10 HN LEU 10 8.641 -2.518 1.829 71 HA LEU 10 HA LEU 10 7.575 -0.057 3.169 72 HB2 LEU 10 HB2 LEU 10 10.190 -0.740 3.099 73 HB3 LEU 10 HB1 LEU 10 10.068 0.014 1.514 74 HG LEU 10 HG LEU 10 9.151 1.336 4.084 75 HD11 LEU 10 HD11 LEU 10 11.746 1.526 2.538 76 HD12 LEU 10 HD12 LEU 10 11.531 1.122 4.240 77 HD13 LEU 10 HD13 LEU 10 11.222 2.765 3.678 78 HD21 LEU 10 HD21 LEU 10 9.526 2.306 1.229 79 HD22 LEU 10 HD22 LEU 10 9.272 3.387 2.600 80 HD23 LEU 10 HD23 LEU 10 8.017 2.238 2.140 81 H TYR 11 HN TYR 11 9.069 -1.190 0.132 82 HA TYR 11 HA TYR 11 7.480 0.594 -1.547 83 HB2 TYR 11 HB2 TYR 11 9.767 -1.220 -1.740 84 HB3 TYR 11 HB1 TYR 11 8.714 -1.329 -3.147 85 HD1 TYR 11 HD1 TYR 11 10.609 1.040 -0.992 86 HD2 TYR 11 HD2 TYR 11 8.674 0.421 -4.777 87 HE1 TYR 11 HE1 TYR 11 11.552 3.177 -1.820 88 HE2 TYR 11 HE2 TYR 11 9.617 2.560 -5.606 89 HH TYR 11 HH TYR 11 10.633 4.912 -3.881 90 H GLY 12 HN GLY 12 7.257 -2.723 -0.447 91 HA2 GLY 12 HA2 GLY 12 5.294 -3.547 -2.444 92 HA3 GLY 12 HA1 GLY 12 5.779 -4.470 -1.021 93 H VAL 13 HN VAL 13 5.231 -2.317 0.887 94 HA VAL 13 HA VAL 13 2.343 -2.741 1.170 95 HB VAL 13 HB VAL 13 2.666 -1.648 3.345 96 HG11 VAL 13 HG11 VAL 13 3.192 -3.952 3.403 97 HG12 VAL 13 HG12 VAL 13 4.555 -3.163 4.196 98 HG13 VAL 13 HG13 VAL 13 4.707 -3.717 2.530 99 HG21 VAL 13 HG21 VAL 13 5.583 -1.281 2.622 100 HG22 VAL 13 HG22 VAL 13 4.724 -0.658 4.029 101 HG23 VAL 13 HG23 VAL 13 4.402 0.015 2.432 102 H TRP 14 HN TRP 14 4.306 -0.259 -0.181 103 HA TRP 14 HA TRP 14 2.797 2.081 0.326 104 HB2 TRP 14 HB2 TRP 14 5.068 1.931 -0.677 105 HB3 TRP 14 HB1 TRP 14 4.358 1.315 -2.152 106 HD1 TRP 14 HD1 TRP 14 5.066 3.327 -3.627 107 HE1 TRP 14 HE1 TRP 14 4.260 5.765 -3.803 108 HE3 TRP 14 HE3 TRP 14 2.349 3.697 0.699 109 HZ2 TRP 14 HZ2 TRP 14 2.681 7.627 -2.320 110 HZ3 TRP 14 HZ3 TRP 14 1.212 5.808 1.281 111 HH2 TRP 14 HH2 TRP 14 1.371 7.775 -0.217 112 HA PRO 15 HA PRO 15 0.301 1.276 -3.703 113 HB2 PRO 15 HB2 PRO 15 0.306 -1.249 -4.756 114 HB3 PRO 15 HB1 PRO 15 1.452 0.018 -5.246 115 HG2 PRO 15 HG2 PRO 15 1.845 -2.252 -3.362 116 HG3 PRO 15 HG1 PRO 15 2.951 -1.585 -4.575 117 HD2 PRO 15 HD2 PRO 15 3.171 -1.043 -1.940 118 HD3 PRO 15 HD1 PRO 15 3.663 0.111 -3.196 119 H LEU 16 HN LEU 16 0.535 -1.432 -1.384 120 HA LEU 16 HA LEU 16 -2.228 -2.234 -1.537 121 HB2 LEU 16 HB2 LEU 16 0.123 -2.672 0.223 122 HB3 LEU 16 HB1 LEU 16 -1.446 -2.903 0.992 123 HG LEU 16 HG LEU 16 -1.952 -4.254 -1.250 124 HD11 LEU 16 HD11 LEU 16 0.041 -5.461 -2.020 125 HD12 LEU 16 HD12 LEU 16 1.049 -4.546 -0.897 126 HD13 LEU 16 HD13 LEU 16 0.257 -3.724 -2.243 127 HD21 LEU 16 HD21 LEU 16 -2.052 -5.179 1.036 128 HD22 LEU 16 HD22 LEU 16 -0.296 -5.335 1.059 129 HD23 LEU 16 HD23 LEU 16 -1.254 -6.312 -0.054 130 H LEU 17 HN LEU 17 -0.506 0.084 0.511 131 HA LEU 17 HA LEU 17 -2.780 0.859 2.122 132 HB2 LEU 17 HB2 LEU 17 -0.078 2.006 1.431 133 HB3 LEU 17 HB1 LEU 17 -1.235 3.009 2.302 134 HG LEU 17 HG LEU 17 -0.513 0.222 3.230 135 HD11 LEU 17 HD11 LEU 17 0.794 2.871 3.920 136 HD12 LEU 17 HD12 LEU 17 1.567 1.462 3.197 137 HD13 LEU 17 HD13 LEU 17 1.003 1.397 4.866 138 HD21 LEU 17 HD21 LEU 17 -2.545 1.104 4.209 139 HD22 LEU 17 HD22 LEU 17 -1.779 2.662 4.518 140 HD23 LEU 17 HD23 LEU 17 -1.275 1.236 5.425 141 H LEU 18 HN LEU 18 -1.428 1.967 -0.936 142 HA LEU 18 HA LEU 18 -3.149 4.244 -1.364 143 HB2 LEU 18 HB2 LEU 18 -1.079 2.744 -2.714 144 HB3 LEU 18 HB1 LEU 18 -2.417 2.980 -3.833 145 HG LEU 18 HG LEU 18 -2.388 5.430 -3.239 146 HD11 LEU 18 HD11 LEU 18 0.064 4.515 -1.716 147 HD12 LEU 18 HD12 LEU 18 -1.305 5.446 -1.110 148 HD13 LEU 18 HD13 LEU 18 -0.160 6.188 -2.224 149 HD21 LEU 18 HD21 LEU 18 0.182 4.247 -4.347 150 HD22 LEU 18 HD22 LEU 18 -0.351 5.912 -4.570 151 HD23 LEU 18 HD23 LEU 18 -1.280 4.589 -5.274 152 H LEU 19 HN LEU 19 -3.329 0.782 -2.202 153 HA LEU 19 HA LEU 19 -5.829 0.857 -3.632 154 HB2 LEU 19 HB2 LEU 19 -3.834 -1.006 -2.899 155 HB3 LEU 19 HB1 LEU 19 -5.316 -1.610 -2.169 156 HG LEU 19 HG LEU 19 -6.295 -0.986 -4.590 157 HD11 LEU 19 HD11 LEU 19 -3.348 -1.560 -5.009 158 HD12 LEU 19 HD12 LEU 19 -4.243 -0.131 -5.530 159 HD13 LEU 19 HD13 LEU 19 -4.558 -1.693 -6.285 160 HD21 LEU 19 HD21 LEU 19 -4.799 -3.521 -4.702 161 HD22 LEU 19 HD22 LEU 19 -6.538 -3.241 -4.751 162 HD23 LEU 19 HD23 LEU 19 -5.701 -3.303 -3.202 163 H LEU 20 HN LEU 20 -4.929 0.306 -0.268 164 HA LEU 20 HA LEU 20 -7.535 -0.232 0.830 165 HB2 LEU 20 HB2 LEU 20 -4.783 0.336 1.709 166 HB3 LEU 20 HB1 LEU 20 -5.992 0.934 2.834 167 HG LEU 20 HG LEU 20 -6.110 -1.874 1.730 168 HD11 LEU 20 HD11 LEU 20 -3.952 -1.725 2.791 169 HD12 LEU 20 HD12 LEU 20 -5.037 -2.543 3.917 170 HD13 LEU 20 HD13 LEU 20 -4.626 -0.845 4.163 171 HD21 LEU 20 HD21 LEU 20 -7.359 -2.205 3.904 172 HD22 LEU 20 HD22 LEU 20 -8.154 -1.101 2.783 173 HD23 LEU 20 HD23 LEU 20 -7.257 -0.463 4.161 174 H LEU 21 HN LEU 21 -5.621 2.774 0.508 175 HA LEU 21 HA LEU 21 -7.427 4.560 1.814 176 HB2 LEU 21 HB2 LEU 21 -4.987 4.876 1.112 177 HB3 LEU 21 HB1 LEU 21 -5.597 5.192 -0.510 178 HG LEU 21 HG LEU 21 -6.929 6.716 1.657 179 HD11 LEU 21 HD11 LEU 21 -4.583 6.761 2.427 180 HD12 LEU 21 HD12 LEU 21 -5.089 8.343 1.834 181 HD13 LEU 21 HD13 LEU 21 -4.070 7.310 0.831 182 HD21 LEU 21 HD21 LEU 21 -5.658 7.666 -0.925 183 HD22 LEU 21 HD22 LEU 21 -6.956 8.434 -0.011 184 HD23 LEU 21 HD23 LEU 21 -7.260 6.929 -0.878 185 H ALA 22 HN ALA 22 -7.225 3.433 -1.519 186 HA ALA 22 HA ALA 22 -9.635 5.029 -2.273 187 HB1 ALA 22 HB1 ALA 22 -8.875 4.484 -4.569 188 HB2 ALA 22 HB2 ALA 22 -7.589 3.480 -3.899 189 HB3 ALA 22 HB3 ALA 22 -7.580 5.222 -3.627 190 H LEU 23 HN LEU 23 -9.971 2.678 -0.553 191 HA LEU 23 HA LEU 23 -11.185 0.692 -2.421 192 HB2 LEU 23 HB2 LEU 23 -9.356 0.169 -0.643 193 HB3 LEU 23 HB1 LEU 23 -10.678 0.271 0.511 194 HG LEU 23 HG LEU 23 -11.921 -1.390 -0.997 195 HD11 LEU 23 HD11 LEU 23 -10.686 -1.320 -3.023 196 HD12 LEU 23 HD12 LEU 23 -10.229 -2.857 -2.288 197 HD13 LEU 23 HD13 LEU 23 -9.142 -1.472 -2.183 198 HD21 LEU 23 HD21 LEU 23 -10.654 -3.326 -0.047 199 HD22 LEU 23 HD22 LEU 23 -10.952 -2.062 1.147 200 HD23 LEU 23 HD23 LEU 23 -9.358 -2.219 0.406 201 HA PRO 24 HA PRO 24 -15.073 2.174 -0.827 202 HB2 PRO 24 HB2 PRO 24 -16.636 0.654 -2.470 203 HB3 PRO 24 HB1 PRO 24 -15.771 2.103 -3.017 204 HG2 PRO 24 HG2 PRO 24 -15.217 -0.715 -3.569 205 HG3 PRO 24 HG1 PRO 24 -14.725 0.731 -4.460 206 HD2 PRO 24 HD2 PRO 24 -13.158 -0.831 -2.659 207 HD3 PRO 24 HD1 PRO 24 -12.677 0.653 -3.505 208 HA PRO 25 HA PRO 25 -16.240 -0.989 2.063 209 HB2 PRO 25 HB2 PRO 25 -18.769 -0.179 2.698 210 HB3 PRO 25 HB1 PRO 25 -17.314 0.672 3.252 211 HG2 PRO 25 HG2 PRO 25 -19.180 1.366 1.057 212 HG3 PRO 25 HG1 PRO 25 -18.314 2.421 2.184 213 HD2 PRO 25 HD2 PRO 25 -17.563 1.988 -0.415 214 HD3 PRO 25 HD1 PRO 25 -16.460 2.508 0.878 215 H ARG 26 HN ARG 26 -18.455 -2.387 2.498 216 HA ARG 26 HA ARG 26 -19.011 -3.759 -0.081 217 HB2 ARG 26 HB2 ARG 26 -18.192 -4.891 2.048 218 HB3 ARG 26 HB1 ARG 26 -19.768 -4.543 2.753 219 HG2 ARG 26 HG2 ARG 26 -20.898 -5.930 1.193 220 HG3 ARG 26 HG1 ARG 26 -19.494 -6.006 0.126 221 HD2 ARG 26 HD2 ARG 26 -18.265 -7.152 2.079 222 HD3 ARG 26 HD1 ARG 26 -19.871 -7.363 2.806 223 HE ARG 26 HE ARG 26 -20.534 -8.682 0.850 224 HH11 ARG 26 HH21 ARG 26 -18.787 -7.622 -1.257 225 HH12 ARG 26 HH22 ARG 26 -17.565 -8.837 -1.418 226 HH21 ARG 26 HH11 ARG 26 -18.284 -10.321 1.655 227 HH22 ARG 26 HH12 ARG 26 -17.277 -10.380 0.249 228 H ALA 27 HN ALA 27 -21.033 -3.026 2.798 229 HA ALA 27 HA ALA 27 -23.060 -1.624 1.191 230 HB1 ALA 27 HB1 ALA 27 -23.459 -4.405 2.336 231 HB2 ALA 27 HB2 ALA 27 -23.609 -3.910 0.649 232 HB3 ALA 27 HB3 ALA 27 -24.796 -3.370 1.837 233 H TYR 28 HN TYR 28 -21.774 -0.435 3.159 234 HA TYR 28 HA TYR 28 -22.090 0.841 5.065 235 HB2 TYR 28 HB2 TYR 28 -24.292 1.326 4.846 236 HB3 TYR 28 HB1 TYR 28 -24.754 -0.334 4.543 237 HD1 TYR 28 HD2 TYR 28 -24.029 2.181 7.156 238 HD2 TYR 28 HD1 TYR 28 -25.454 -1.791 6.346 239 HE1 TYR 28 HE2 TYR 28 -24.878 2.011 9.477 240 HE2 TYR 28 HE1 TYR 28 -26.304 -1.960 8.668 241 HH TYR 28 HH TYR 28 -26.998 0.306 10.538 242 H ALA 29 HN ALA 29 -22.374 -2.671 5.293 243 HA ALA 29 HA ALA 29 -21.597 -2.556 8.172 244 HB1 ALA 29 HB1 ALA 29 -22.271 -5.089 6.735 245 HB2 ALA 29 HB2 ALA 29 -23.575 -3.934 7.006 246 HB3 ALA 29 HB3 ALA 29 -22.677 -4.587 8.376 Start of MODEL 16 1 H1 ARG 1 HT1 ARG 1 12.312 1.404 -8.744 2 H2 ARG 1 HT2 ARG 1 13.016 2.949 -8.689 3 H3 ARG 1 HT3 ARG 1 12.991 1.970 -7.298 4 HA ARG 1 HA ARG 1 14.534 1.453 -9.799 5 HB2 ARG 1 HB2 ARG 1 15.024 2.734 -7.176 6 HB3 ARG 1 HB1 ARG 1 16.259 1.574 -7.666 7 HG2 ARG 1 HG2 ARG 1 16.656 2.738 -9.731 8 HG3 ARG 1 HG1 ARG 1 15.255 3.780 -9.484 9 HD2 ARG 1 HD2 ARG 1 17.253 3.823 -7.285 10 HD3 ARG 1 HD1 ARG 1 17.789 4.529 -8.821 11 HE ARG 1 HE ARG 1 15.157 5.329 -7.645 12 HH11 ARG 1 HH11 ARG 1 16.171 6.513 -10.225 13 HH12 ARG 1 HH12 ARG 1 16.866 8.003 -9.689 14 HH21 ARG 1 HH21 ARG 1 16.979 7.042 -6.340 15 HH22 ARG 1 HH22 ARG 1 17.327 8.306 -7.469 16 H LEU 2 HN LEU 2 16.047 -0.441 -9.456 17 HA LEU 2 HA LEU 2 14.603 -2.770 -8.495 18 HB2 LEU 2 HB2 LEU 2 16.504 -2.338 -10.354 19 HB3 LEU 2 HB1 LEU 2 17.539 -2.853 -9.023 20 HG LEU 2 HG LEU 2 15.706 -4.771 -8.801 21 HD11 LEU 2 HD11 LEU 2 14.347 -3.735 -10.667 22 HD12 LEU 2 HD12 LEU 2 14.765 -5.430 -10.919 23 HD13 LEU 2 HD13 LEU 2 15.655 -4.167 -11.771 24 HD21 LEU 2 HD21 LEU 2 17.135 -6.165 -10.298 25 HD22 LEU 2 HD22 LEU 2 18.090 -5.158 -9.210 26 HD23 LEU 2 HD23 LEU 2 17.899 -4.695 -10.902 27 H VAL 3 HN VAL 3 14.606 -3.570 -6.434 28 HA VAL 3 HA VAL 3 16.931 -3.000 -4.648 29 HB VAL 3 HB VAL 3 15.252 -2.517 -2.821 30 HG11 VAL 3 HG11 VAL 3 14.894 -0.547 -5.065 31 HG12 VAL 3 HG12 VAL 3 16.482 -0.796 -4.339 32 HG13 VAL 3 HG13 VAL 3 15.135 -0.241 -3.346 33 HG21 VAL 3 HG21 VAL 3 13.310 -2.206 -5.139 34 HG22 VAL 3 HG22 VAL 3 12.971 -1.936 -3.430 35 HG23 VAL 3 HG23 VAL 3 13.292 -3.567 -4.017 36 HA PRO 4 HA PRO 4 16.320 -7.238 -3.545 37 HB2 PRO 4 HB2 PRO 4 17.748 -7.306 -1.214 38 HB3 PRO 4 HB1 PRO 4 18.511 -7.188 -2.810 39 HG2 PRO 4 HG2 PRO 4 18.115 -5.110 -0.755 40 HG3 PRO 4 HG1 PRO 4 19.398 -5.287 -1.960 41 HD2 PRO 4 HD2 PRO 4 17.237 -3.539 -2.116 42 HD3 PRO 4 HD1 PRO 4 18.307 -4.006 -3.456 43 H GLY 5 HN GLY 5 16.014 -8.310 -0.964 44 HA2 GLY 5 HA2 GLY 5 13.288 -7.921 -0.349 45 HA3 GLY 5 HA1 GLY 5 14.458 -8.644 0.750 46 H ALA 6 HN ALA 6 16.133 -6.230 0.889 47 HA ALA 6 HA ALA 6 15.285 -4.934 3.183 48 HB1 ALA 6 HB1 ALA 6 16.847 -3.846 0.833 49 HB2 ALA 6 HB2 ALA 6 17.506 -4.743 2.201 50 HB3 ALA 6 HB3 ALA 6 16.836 -3.130 2.444 51 H ALA 7 HN ALA 7 14.745 -3.715 -0.120 52 HA ALA 7 HA ALA 7 12.675 -1.831 0.956 53 HB1 ALA 7 HB1 ALA 7 14.814 -1.693 -1.011 54 HB2 ALA 7 HB2 ALA 7 13.888 -0.385 -0.277 55 HB3 ALA 7 HB3 ALA 7 13.274 -1.198 -1.713 56 H TYR 8 HN TYR 8 12.231 -4.760 0.339 57 HA TYR 8 HA TYR 8 10.437 -4.663 -2.029 58 HB2 TYR 8 HB2 TYR 8 12.220 -6.513 -1.135 59 HB3 TYR 8 HB1 TYR 8 10.749 -7.113 -0.377 60 HD1 TYR 8 HD1 TYR 8 8.731 -7.617 -1.791 61 HD2 TYR 8 HD2 TYR 8 12.570 -6.709 -3.496 62 HE1 TYR 8 HE1 TYR 8 7.998 -8.577 -3.954 63 HE2 TYR 8 HE2 TYR 8 11.834 -7.671 -5.659 64 HH TYR 8 HH TYR 8 9.676 -9.658 -6.148 65 H ALA 9 HN ALA 9 10.361 -5.640 1.374 66 HA ALA 9 HA ALA 9 7.520 -5.975 1.603 67 HB1 ALA 9 HB1 ALA 9 8.114 -5.660 4.097 68 HB2 ALA 9 HB2 ALA 9 9.776 -5.458 3.545 69 HB3 ALA 9 HB3 ALA 9 8.924 -6.974 3.246 70 H LEU 10 HN LEU 10 9.648 -3.214 2.122 71 HA LEU 10 HA LEU 10 7.742 -1.371 3.231 72 HB2 LEU 10 HB2 LEU 10 10.428 -1.420 2.765 73 HB3 LEU 10 HB1 LEU 10 9.911 -0.354 1.464 74 HG LEU 10 HG LEU 10 8.996 0.062 4.316 75 HD11 LEU 10 HD11 LEU 10 10.821 1.593 4.655 76 HD12 LEU 10 HD12 LEU 10 11.358 1.414 2.986 77 HD13 LEU 10 HD13 LEU 10 11.522 0.068 4.114 78 HD21 LEU 10 HD21 LEU 10 9.242 1.888 1.897 79 HD22 LEU 10 HD22 LEU 10 8.665 2.381 3.489 80 HD23 LEU 10 HD23 LEU 10 7.739 1.223 2.537 81 H TYR 11 HN TYR 11 8.978 -1.694 -0.120 82 HA TYR 11 HA TYR 11 7.094 0.150 -1.285 83 HB2 TYR 11 HB2 TYR 11 9.128 -1.820 -2.178 84 HB3 TYR 11 HB1 TYR 11 7.893 -1.399 -3.360 85 HD1 TYR 11 HD1 TYR 11 7.483 1.061 -3.887 86 HD2 TYR 11 HD2 TYR 11 10.896 -0.310 -1.665 87 HE1 TYR 11 HE1 TYR 11 8.646 3.202 -4.344 88 HE2 TYR 11 HE2 TYR 11 12.057 1.828 -2.123 89 HH TYR 11 HH TYR 11 10.749 4.500 -2.892 90 H GLY 12 HN GLY 12 6.899 -3.243 -0.499 91 HA2 GLY 12 HA2 GLY 12 4.750 -3.989 -2.245 92 HA3 GLY 12 HA1 GLY 12 5.214 -4.839 -0.773 93 H VAL 13 HN VAL 13 4.794 -2.673 1.083 94 HA VAL 13 HA VAL 13 1.871 -2.824 1.284 95 HB VAL 13 HB VAL 13 2.227 -1.778 3.485 96 HG11 VAL 13 HG11 VAL 13 4.404 -3.664 3.713 97 HG12 VAL 13 HG12 VAL 13 3.164 -4.291 2.627 98 HG13 VAL 13 HG13 VAL 13 2.737 -3.812 4.269 99 HG21 VAL 13 HG21 VAL 13 5.203 -1.832 2.997 100 HG22 VAL 13 HG22 VAL 13 4.297 -0.965 4.237 101 HG23 VAL 13 HG23 VAL 13 4.262 -0.403 2.566 102 H TRP 14 HN TRP 14 4.011 -0.577 -0.143 103 HA TRP 14 HA TRP 14 2.710 1.890 0.467 104 HB2 TRP 14 HB2 TRP 14 4.951 1.279 -0.821 105 HB3 TRP 14 HB1 TRP 14 3.914 1.452 -2.235 106 HD1 TRP 14 HD1 TRP 14 5.427 3.446 0.632 107 HE1 TRP 14 HE1 TRP 14 5.024 5.960 0.196 108 HE3 TRP 14 HE3 TRP 14 2.335 3.130 -3.390 109 HZ2 TRP 14 HZ2 TRP 14 3.548 7.613 -1.654 110 HZ3 TRP 14 HZ3 TRP 14 1.452 5.164 -4.457 111 HH2 TRP 14 HH2 TRP 14 2.052 7.406 -3.608 112 HA PRO 15 HA PRO 15 -0.018 1.255 -3.424 113 HB2 PRO 15 HB2 PRO 15 -0.231 -1.268 -4.468 114 HB3 PRO 15 HB1 PRO 15 0.968 -0.085 -5.032 115 HG2 PRO 15 HG2 PRO 15 1.314 -2.382 -3.177 116 HG3 PRO 15 HG1 PRO 15 2.397 -1.777 -4.442 117 HD2 PRO 15 HD2 PRO 15 2.774 -1.273 -1.808 118 HD3 PRO 15 HD1 PRO 15 3.302 -0.163 -3.089 119 H LEU 16 HN LEU 16 0.271 -1.137 -0.856 120 HA LEU 16 HA LEU 16 -2.478 -2.043 -0.859 121 HB2 LEU 16 HB2 LEU 16 -0.044 -2.295 0.787 122 HB3 LEU 16 HB1 LEU 16 -1.534 -2.326 1.727 123 HG LEU 16 HG LEU 16 -2.381 -4.040 -0.007 124 HD11 LEU 16 HD11 LEU 16 -0.824 -5.150 -1.371 125 HD12 LEU 16 HD12 LEU 16 0.555 -4.559 -0.446 126 HD13 LEU 16 HD13 LEU 16 -0.326 -3.465 -1.513 127 HD21 LEU 16 HD21 LEU 16 -1.758 -4.623 2.312 128 HD22 LEU 16 HD22 LEU 16 -0.067 -4.758 1.828 129 HD23 LEU 16 HD23 LEU 16 -1.260 -5.891 1.194 130 H LEU 17 HN LEU 17 -0.736 0.504 0.933 131 HA LEU 17 HA LEU 17 -3.071 1.398 2.404 132 HB2 LEU 17 HB2 LEU 17 -1.646 3.156 3.171 133 HB3 LEU 17 HB1 LEU 17 -0.560 1.801 2.904 134 HG LEU 17 HG LEU 17 -0.595 3.092 0.435 135 HD11 LEU 17 HD11 LEU 17 -0.053 5.455 1.016 136 HD12 LEU 17 HD12 LEU 17 -0.587 5.139 2.667 137 HD13 LEU 17 HD13 LEU 17 -1.736 5.037 1.331 138 HD21 LEU 17 HD21 LEU 17 1.685 3.583 0.894 139 HD22 LEU 17 HD22 LEU 17 1.329 2.131 1.830 140 HD23 LEU 17 HD23 LEU 17 1.390 3.703 2.629 141 H LEU 18 HN LEU 18 -1.748 2.047 -0.746 142 HA LEU 18 HA LEU 18 -3.377 4.362 -1.425 143 HB2 LEU 18 HB2 LEU 18 -1.694 2.293 -2.853 144 HB3 LEU 18 HB1 LEU 18 -2.621 3.445 -3.782 145 HG LEU 18 HG LEU 18 -0.072 3.779 -2.460 146 HD11 LEU 18 HD11 LEU 18 -1.770 5.401 -4.342 147 HD12 LEU 18 HD12 LEU 18 -0.286 4.505 -4.679 148 HD13 LEU 18 HD13 LEU 18 -0.222 5.996 -3.741 149 HD21 LEU 18 HD21 LEU 18 -0.391 5.933 -1.386 150 HD22 LEU 18 HD22 LEU 18 -1.469 4.771 -0.620 151 HD23 LEU 18 HD23 LEU 18 -2.109 5.929 -1.786 152 H LEU 19 HN LEU 19 -3.519 0.845 -1.956 153 HA LEU 19 HA LEU 19 -5.999 0.733 -3.398 154 HB2 LEU 19 HB2 LEU 19 -4.024 -1.034 -2.306 155 HB3 LEU 19 HB1 LEU 19 -5.585 -1.576 -1.718 156 HG LEU 19 HG LEU 19 -5.080 -2.693 -3.818 157 HD11 LEU 19 HD11 LEU 19 -7.147 -2.413 -4.799 158 HD12 LEU 19 HD12 LEU 19 -7.075 -0.654 -4.706 159 HD13 LEU 19 HD13 LEU 19 -7.441 -1.599 -3.264 160 HD21 LEU 19 HD21 LEU 19 -3.550 -0.805 -4.611 161 HD22 LEU 19 HD22 LEU 19 -5.010 0.029 -5.143 162 HD23 LEU 19 HD23 LEU 19 -4.579 -1.530 -5.845 163 H LEU 20 HN LEU 20 -5.148 0.708 0.014 164 HA LEU 20 HA LEU 20 -7.792 0.237 1.108 165 HB2 LEU 20 HB2 LEU 20 -5.057 0.949 1.992 166 HB3 LEU 20 HB1 LEU 20 -6.330 1.555 3.042 167 HG LEU 20 HG LEU 20 -6.232 -1.323 2.116 168 HD11 LEU 20 HD11 LEU 20 -4.172 -0.920 3.330 169 HD12 LEU 20 HD12 LEU 20 -5.278 -1.792 4.393 170 HD13 LEU 20 HD13 LEU 20 -5.039 -0.057 4.600 171 HD21 LEU 20 HD21 LEU 20 -7.609 0.098 4.423 172 HD22 LEU 20 HD22 LEU 20 -7.674 -1.638 4.120 173 HD23 LEU 20 HD23 LEU 20 -8.397 -0.516 2.969 174 H LEU 21 HN LEU 21 -5.835 3.172 0.505 175 HA LEU 21 HA LEU 21 -7.599 5.132 1.561 176 HB2 LEU 21 HB2 LEU 21 -5.224 5.442 0.857 177 HB3 LEU 21 HB1 LEU 21 -5.732 5.295 -0.824 178 HG LEU 21 HG LEU 21 -7.307 7.277 0.658 179 HD11 LEU 21 HD11 LEU 21 -5.093 7.516 1.806 180 HD12 LEU 21 HD12 LEU 21 -5.553 8.945 0.880 181 HD13 LEU 21 HD13 LEU 21 -4.354 7.825 0.234 182 HD21 LEU 21 HD21 LEU 21 -7.032 6.816 -1.894 183 HD22 LEU 21 HD22 LEU 21 -5.535 7.738 -1.743 184 HD23 LEU 21 HD23 LEU 21 -7.079 8.493 -1.350 185 H ALA 22 HN ALA 22 -7.442 3.644 -1.639 186 HA ALA 22 HA ALA 22 -9.967 5.037 -2.445 187 HB1 ALA 22 HB1 ALA 22 -8.194 5.423 -3.983 188 HB2 ALA 22 HB2 ALA 22 -9.155 4.149 -4.735 189 HB3 ALA 22 HB3 ALA 22 -7.651 3.747 -3.905 190 H LEU 23 HN LEU 23 -10.049 2.779 -0.587 191 HA LEU 23 HA LEU 23 -10.888 0.447 -2.199 192 HB2 LEU 23 HB2 LEU 23 -9.460 0.409 -0.079 193 HB3 LEU 23 HB1 LEU 23 -10.941 0.769 0.798 194 HG LEU 23 HG LEU 23 -11.869 -1.276 -0.632 195 HD11 LEU 23 HD11 LEU 23 -9.511 -1.385 -1.739 196 HD12 LEU 23 HD12 LEU 23 -10.273 -2.892 -1.230 197 HD13 LEU 23 HD13 LEU 23 -9.017 -2.159 -0.233 198 HD21 LEU 23 HD21 LEU 23 -10.040 -1.805 1.724 199 HD22 LEU 23 HD22 LEU 23 -11.517 -2.666 1.285 200 HD23 LEU 23 HD23 LEU 23 -11.609 -1.016 1.900 201 HA PRO 24 HA PRO 24 -15.135 1.757 -1.781 202 HB2 PRO 24 HB2 PRO 24 -16.154 -0.153 -3.444 203 HB3 PRO 24 HB1 PRO 24 -15.291 1.283 -4.024 204 HG2 PRO 24 HG2 PRO 24 -14.430 -1.505 -3.975 205 HG3 PRO 24 HG1 PRO 24 -13.825 -0.152 -4.937 206 HD2 PRO 24 HD2 PRO 24 -12.677 -1.289 -2.573 207 HD3 PRO 24 HD1 PRO 24 -12.066 0.068 -3.540 208 HA PRO 25 HA PRO 25 -16.172 -1.214 1.460 209 HB2 PRO 25 HB2 PRO 25 -18.344 0.125 2.432 210 HB3 PRO 25 HB1 PRO 25 -16.671 0.586 2.811 211 HG2 PRO 25 HG2 PRO 25 -18.560 1.782 0.855 212 HG3 PRO 25 HG1 PRO 25 -17.380 2.569 1.918 213 HD2 PRO 25 HD2 PRO 25 -16.958 2.150 -0.735 214 HD3 PRO 25 HD1 PRO 25 -15.652 2.247 0.467 215 H ARG 26 HN ARG 26 -18.009 -2.652 1.885 216 HA ARG 26 HA ARG 26 -19.558 -3.314 -0.537 217 HB2 ARG 26 HB2 ARG 26 -19.065 -4.588 2.161 218 HB3 ARG 26 HB1 ARG 26 -20.214 -5.264 1.011 219 HG2 ARG 26 HG2 ARG 26 -18.536 -6.261 -0.101 220 HG3 ARG 26 HG1 ARG 26 -17.798 -4.690 -0.410 221 HD2 ARG 26 HD2 ARG 26 -16.190 -5.032 1.156 222 HD3 ARG 26 HD1 ARG 26 -17.368 -5.604 2.353 223 HE ARG 26 HE ARG 26 -16.224 -7.332 0.187 224 HH11 ARG 26 HH21 ARG 26 -15.207 -7.757 2.930 225 HH12 ARG 26 HH22 ARG 26 -16.235 -9.008 3.540 226 HH21 ARG 26 HH11 ARG 26 -18.667 -8.549 1.085 227 HH22 ARG 26 HH12 ARG 26 -18.215 -9.461 2.484 228 H ALA 27 HN ALA 27 -20.434 -0.881 0.468 229 HA ALA 27 HA ALA 27 -22.335 0.307 1.138 230 HB1 ALA 27 HB1 ALA 27 -23.192 -1.244 -0.641 231 HB2 ALA 27 HB2 ALA 27 -24.419 -0.772 0.533 232 HB3 ALA 27 HB3 ALA 27 -23.673 -2.366 0.632 233 H TYR 28 HN TYR 28 -20.999 -0.190 3.353 234 HA TYR 28 HA TYR 28 -23.080 -1.049 5.308 235 HB2 TYR 28 HB2 TYR 28 -21.548 -2.474 6.463 236 HB3 TYR 28 HB1 TYR 28 -21.431 -2.885 4.759 237 HD1 TYR 28 HD2 TYR 28 -19.440 -2.229 3.440 238 HD2 TYR 28 HD1 TYR 28 -19.721 -1.422 7.649 239 HE1 TYR 28 HE2 TYR 28 -17.001 -1.789 3.521 240 HE2 TYR 28 HE1 TYR 28 -17.285 -0.985 7.729 241 HH TYR 28 HH TYR 28 -15.489 -0.229 6.010 242 H ALA 29 HN ALA 29 -20.007 0.736 4.838 243 HA ALA 29 HA ALA 29 -19.164 2.647 5.851 244 HB1 ALA 29 HB1 ALA 29 -20.785 4.234 6.668 245 HB2 ALA 29 HB2 ALA 29 -21.963 2.958 6.972 246 HB3 ALA 29 HB3 ALA 29 -21.524 3.376 5.316 Start of MODEL 17 1 H1 ARG 1 HT1 ARG 1 12.024 -6.879 -6.550 2 H2 ARG 1 HT2 ARG 1 10.581 -6.850 -7.443 3 H3 ARG 1 HT3 ARG 1 12.041 -7.295 -8.192 4 HA ARG 1 HA ARG 1 10.511 -8.826 -6.146 5 HB2 ARG 1 HB2 ARG 1 10.999 -8.904 -9.081 6 HB3 ARG 1 HB1 ARG 1 10.995 -10.460 -8.253 7 HG2 ARG 1 HG2 ARG 1 8.779 -10.137 -7.433 8 HG3 ARG 1 HG1 ARG 1 8.790 -8.427 -7.861 9 HD2 ARG 1 HD2 ARG 1 7.678 -9.146 -9.732 10 HD3 ARG 1 HD1 ARG 1 9.299 -9.580 -10.304 11 HE ARG 1 HE ARG 1 8.771 -11.827 -8.997 12 HH11 ARG 1 HH21 ARG 1 5.890 -11.158 -8.595 13 HH12 ARG 1 HH22 ARG 1 5.141 -11.880 -9.977 14 HH21 ARG 1 HH11 ARG 1 8.127 -12.199 -11.747 15 HH22 ARG 1 HH12 ARG 1 6.418 -12.475 -11.779 16 H LEU 2 HN LEU 2 11.543 -10.945 -5.655 17 HA LEU 2 HA LEU 2 13.309 -12.280 -4.918 18 HB2 LEU 2 HB2 LEU 2 13.886 -11.430 -7.520 19 HB3 LEU 2 HB1 LEU 2 15.373 -11.124 -6.633 20 HG LEU 2 HG LEU 2 15.478 -13.364 -7.521 21 HD11 LEU 2 HD11 LEU 2 16.164 -12.881 -5.067 22 HD12 LEU 2 HD12 LEU 2 16.010 -14.563 -5.572 23 HD13 LEU 2 HD13 LEU 2 14.723 -13.803 -4.637 24 HD21 LEU 2 HD21 LEU 2 12.764 -13.703 -6.211 25 HD22 LEU 2 HD22 LEU 2 13.735 -15.058 -6.785 26 HD23 LEU 2 HD23 LEU 2 13.158 -13.843 -7.925 27 H VAL 3 HN VAL 3 12.848 -10.246 -3.217 28 HA VAL 3 HA VAL 3 15.585 -9.362 -2.409 29 HB VAL 3 HB VAL 3 14.255 -7.550 -3.514 30 HG11 VAL 3 HG11 VAL 3 12.202 -6.822 -2.759 31 HG12 VAL 3 HG12 VAL 3 12.499 -7.357 -1.105 32 HG13 VAL 3 HG13 VAL 3 12.066 -8.529 -2.344 33 HG21 VAL 3 HG21 VAL 3 15.985 -7.104 -1.762 34 HG22 VAL 3 HG22 VAL 3 14.700 -7.085 -0.554 35 HG23 VAL 3 HG23 VAL 3 14.729 -5.869 -1.831 36 HA PRO 4 HA PRO 4 14.239 -11.238 1.376 37 HB2 PRO 4 HB2 PRO 4 16.397 -10.598 2.914 38 HB3 PRO 4 HB1 PRO 4 16.429 -11.839 1.649 39 HG2 PRO 4 HG2 PRO 4 17.585 -9.142 1.653 40 HG3 PRO 4 HG1 PRO 4 18.068 -10.581 0.750 41 HD2 PRO 4 HD2 PRO 4 16.598 -8.378 -0.218 42 HD3 PRO 4 HD1 PRO 4 16.912 -9.912 -1.057 43 H GLY 5 HN GLY 5 12.633 -9.081 1.225 44 HA2 GLY 5 HA2 GLY 5 11.403 -7.856 2.874 45 HA3 GLY 5 HA1 GLY 5 12.798 -7.918 3.936 46 H ALA 6 HN ALA 6 14.697 -6.863 1.968 47 HA ALA 6 HA ALA 6 14.769 -4.156 2.487 48 HB1 ALA 6 HB1 ALA 6 15.609 -4.954 -0.238 49 HB2 ALA 6 HB2 ALA 6 16.273 -5.906 1.089 50 HB3 ALA 6 HB3 ALA 6 16.531 -4.164 1.038 51 H ALA 7 HN ALA 7 13.102 -5.622 -0.275 52 HA ALA 7 HA ALA 7 11.773 -2.981 -0.808 53 HB1 ALA 7 HB1 ALA 7 12.562 -3.230 -2.902 54 HB2 ALA 7 HB2 ALA 7 11.655 -4.732 -3.064 55 HB3 ALA 7 HB3 ALA 7 13.308 -4.762 -2.451 56 H TYR 8 HN TYR 8 10.926 -5.341 0.980 57 HA TYR 8 HA TYR 8 8.428 -6.209 -0.405 58 HB2 TYR 8 HB2 TYR 8 10.218 -7.223 1.727 59 HB3 TYR 8 HB1 TYR 8 8.505 -7.460 2.043 60 HD1 TYR 8 HD1 TYR 8 10.095 -7.438 -1.337 61 HD2 TYR 8 HD2 TYR 8 8.390 -9.820 1.806 62 HE1 TYR 8 HE1 TYR 8 10.085 -9.415 -2.835 63 HE2 TYR 8 HE2 TYR 8 8.379 -11.792 0.308 64 HH TYR 8 HH TYR 8 8.313 -12.028 -2.424 65 H ALA 9 HN ALA 9 9.571 -4.799 2.644 66 HA ALA 9 HA ALA 9 6.969 -4.095 3.666 67 HB1 ALA 9 HB1 ALA 9 9.740 -3.013 4.255 68 HB2 ALA 9 HB2 ALA 9 8.963 -4.370 5.073 69 HB3 ALA 9 HB3 ALA 9 8.317 -2.740 5.261 70 H LEU 10 HN LEU 10 8.963 -2.662 1.238 71 HA LEU 10 HA LEU 10 7.666 0.005 1.457 72 HB2 LEU 10 HB2 LEU 10 10.218 -0.777 0.897 73 HB3 LEU 10 HB1 LEU 10 9.571 -0.687 -0.732 74 HG LEU 10 HG LEU 10 10.589 1.453 -0.076 75 HD11 LEU 10 HD11 LEU 10 8.551 1.368 -1.565 76 HD12 LEU 10 HD12 LEU 10 8.785 2.899 -0.723 77 HD13 LEU 10 HD13 LEU 10 7.578 1.751 -0.145 78 HD21 LEU 10 HD21 LEU 10 8.421 1.676 2.031 79 HD22 LEU 10 HD22 LEU 10 9.788 2.759 1.766 80 HD23 LEU 10 HD23 LEU 10 10.059 1.136 2.402 81 H TYR 11 HN TYR 11 8.321 -2.392 -1.135 82 HA TYR 11 HA TYR 11 6.325 -1.372 -2.940 83 HB2 TYR 11 HB2 TYR 11 8.053 -3.792 -2.706 84 HB3 TYR 11 HB1 TYR 11 6.753 -3.822 -3.884 85 HD1 TYR 11 HD2 TYR 11 6.693 -2.188 -5.746 86 HD2 TYR 11 HD1 TYR 11 9.963 -2.310 -2.960 87 HE1 TYR 11 HE2 TYR 11 8.056 -0.800 -7.283 88 HE2 TYR 11 HE1 TYR 11 11.324 -0.921 -4.498 89 HH TYR 11 HH TYR 11 11.214 -0.552 -7.232 90 H GLY 12 HN GLY 12 6.092 -3.579 -0.253 91 HA2 GLY 12 HA2 GLY 12 3.498 -4.662 -1.147 92 HA3 GLY 12 HA1 GLY 12 4.354 -5.108 0.325 93 H VAL 13 HN VAL 13 4.558 -1.890 0.595 94 HA VAL 13 HA VAL 13 1.965 -1.698 2.058 95 HB VAL 13 HB VAL 13 4.711 -0.510 2.416 96 HG11 VAL 13 HG11 VAL 13 2.086 0.455 3.529 97 HG12 VAL 13 HG12 VAL 13 3.450 1.397 2.923 98 HG13 VAL 13 HG13 VAL 13 3.560 0.595 4.490 99 HG21 VAL 13 HG21 VAL 13 2.895 -1.949 4.367 100 HG22 VAL 13 HG22 VAL 13 4.617 -1.616 4.550 101 HG23 VAL 13 HG23 VAL 13 4.068 -2.783 3.348 102 H TRP 14 HN TRP 14 4.066 0.088 -0.178 103 HA TRP 14 HA TRP 14 2.699 2.529 -0.365 104 HB2 TRP 14 HB2 TRP 14 4.852 1.951 -1.450 105 HB3 TRP 14 HB1 TRP 14 3.997 0.963 -2.615 106 HD1 TRP 14 HD1 TRP 14 4.089 2.254 -4.802 107 HE1 TRP 14 HE1 TRP 14 3.508 4.647 -5.551 108 HE3 TRP 14 HE3 TRP 14 3.063 4.386 -0.269 109 HZ2 TRP 14 HZ2 TRP 14 2.712 7.136 -4.391 110 HZ3 TRP 14 HZ3 TRP 14 2.398 6.763 -0.126 111 HH2 TRP 14 HH2 TRP 14 2.221 8.142 -2.176 112 HA PRO 15 HA PRO 15 -0.227 0.831 -3.760 113 HB2 PRO 15 HB2 PRO 15 -0.422 -1.877 -4.098 114 HB3 PRO 15 HB1 PRO 15 0.713 -0.860 -5.010 115 HG2 PRO 15 HG2 PRO 15 1.214 -2.578 -2.633 116 HG3 PRO 15 HG1 PRO 15 2.213 -2.323 -4.074 117 HD2 PRO 15 HD2 PRO 15 2.723 -1.127 -1.704 118 HD3 PRO 15 HD1 PRO 15 3.132 -0.378 -3.261 119 H LEU 16 HN LEU 16 0.176 -1.163 -0.828 120 HA LEU 16 HA LEU 16 -2.628 -1.803 -0.498 121 HB2 LEU 16 HB2 LEU 16 -0.151 -2.388 0.749 122 HB3 LEU 16 HB1 LEU 16 -1.138 -1.619 1.989 123 HG LEU 16 HG LEU 16 -2.895 -3.378 0.699 124 HD11 LEU 16 HD11 LEU 16 -1.156 -4.588 -0.408 125 HD12 LEU 16 HD12 LEU 16 -1.604 -5.558 0.995 126 HD13 LEU 16 HD13 LEU 16 -0.138 -4.578 1.032 127 HD21 LEU 16 HD21 LEU 16 -2.713 -4.639 2.852 128 HD22 LEU 16 HD22 LEU 16 -2.867 -2.900 3.096 129 HD23 LEU 16 HD23 LEU 16 -1.293 -3.678 3.261 130 H LEU 17 HN LEU 17 -0.539 0.728 0.879 131 HA LEU 17 HA LEU 17 -2.665 2.042 2.347 132 HB2 LEU 17 HB2 LEU 17 0.045 2.216 2.329 133 HB3 LEU 17 HB1 LEU 17 -0.337 3.611 1.320 134 HG LEU 17 HG LEU 17 -1.894 3.270 3.850 135 HD11 LEU 17 HD11 LEU 17 0.893 4.457 3.828 136 HD12 LEU 17 HD12 LEU 17 0.527 2.841 4.433 137 HD13 LEU 17 HD13 LEU 17 -0.176 4.256 5.217 138 HD21 LEU 17 HD21 LEU 17 -0.665 5.673 2.454 139 HD22 LEU 17 HD22 LEU 17 -1.791 5.723 3.808 140 HD23 LEU 17 HD23 LEU 17 -2.326 5.121 2.240 141 H LEU 18 HN LEU 18 -1.334 2.316 -0.902 142 HA LEU 18 HA LEU 18 -2.769 4.641 -1.811 143 HB2 LEU 18 HB2 LEU 18 -1.461 2.214 -3.026 144 HB3 LEU 18 HB1 LEU 18 -2.448 3.226 -4.063 145 HG LEU 18 HG LEU 18 -0.114 4.210 -2.392 146 HD11 LEU 18 HD11 LEU 18 0.855 2.919 -4.109 147 HD12 LEU 18 HD12 LEU 18 0.847 4.550 -4.778 148 HD13 LEU 18 HD13 LEU 18 -0.377 3.384 -5.281 149 HD21 LEU 18 HD21 LEU 18 -1.827 5.561 -4.505 150 HD22 LEU 18 HD22 LEU 18 -0.356 6.249 -3.816 151 HD23 LEU 18 HD23 LEU 18 -1.762 5.970 -2.790 152 H LEU 19 HN LEU 19 -3.465 1.139 -1.846 153 HA LEU 19 HA LEU 19 -6.057 1.269 -3.091 154 HB2 LEU 19 HB2 LEU 19 -4.236 -0.668 -2.074 155 HB3 LEU 19 HB1 LEU 19 -5.764 -0.947 -1.255 156 HG LEU 19 HG LEU 19 -6.619 -0.547 -3.824 157 HD11 LEU 19 HD11 LEU 19 -3.970 -2.021 -3.973 158 HD12 LEU 19 HD12 LEU 19 -4.281 -0.417 -4.636 159 HD13 LEU 19 HD13 LEU 19 -5.117 -1.821 -5.297 160 HD21 LEU 19 HD21 LEU 19 -5.713 -3.139 -2.522 161 HD22 LEU 19 HD22 LEU 19 -6.773 -3.041 -3.927 162 HD23 LEU 19 HD23 LEU 19 -7.307 -2.397 -2.376 163 H LEU 20 HN LEU 20 -4.944 1.277 0.256 164 HA LEU 20 HA LEU 20 -7.489 1.226 1.587 165 HB2 LEU 20 HB2 LEU 20 -4.649 1.715 2.175 166 HB3 LEU 20 HB1 LEU 20 -5.723 2.647 3.209 167 HG LEU 20 HG LEU 20 -6.301 -0.263 2.749 168 HD11 LEU 20 HD11 LEU 20 -3.964 -0.305 3.367 169 HD12 LEU 20 HD12 LEU 20 -4.906 -0.746 4.791 170 HD13 LEU 20 HD13 LEU 20 -4.230 0.877 4.649 171 HD21 LEU 20 HD21 LEU 20 -6.644 1.601 5.124 172 HD22 LEU 20 HD22 LEU 20 -7.237 -0.055 5.018 173 HD23 LEU 20 HD23 LEU 20 -7.908 1.188 3.965 174 H LEU 21 HN LEU 21 -5.479 3.912 0.352 175 HA LEU 21 HA LEU 21 -6.889 6.120 1.444 176 HB2 LEU 21 HB2 LEU 21 -4.684 6.070 0.202 177 HB3 LEU 21 HB1 LEU 21 -5.601 5.912 -1.294 178 HG LEU 21 HG LEU 21 -6.355 8.142 0.550 179 HD11 LEU 21 HD11 LEU 21 -3.842 8.139 0.459 180 HD12 LEU 21 HD12 LEU 21 -4.576 9.573 -0.259 181 HD13 LEU 21 HD13 LEU 21 -3.952 8.289 -1.294 182 HD21 LEU 21 HD21 LEU 21 -6.358 9.221 -1.868 183 HD22 LEU 21 HD22 LEU 21 -7.657 8.129 -1.390 184 HD23 LEU 21 HD23 LEU 21 -6.336 7.538 -2.396 185 H ALA 22 HN ALA 22 -7.407 4.360 -1.582 186 HA ALA 22 HA ALA 22 -10.138 5.590 -1.819 187 HB1 ALA 22 HB1 ALA 22 -9.801 5.663 -4.154 188 HB2 ALA 22 HB2 ALA 22 -8.543 4.428 -4.104 189 HB3 ALA 22 HB3 ALA 22 -8.200 6.061 -3.530 190 H LEU 23 HN LEU 23 -9.911 3.421 -0.165 191 HA LEU 23 HA LEU 23 -10.165 0.884 -1.528 192 HB2 LEU 23 HB2 LEU 23 -10.358 0.004 0.669 193 HB3 LEU 23 HB1 LEU 23 -9.296 1.394 0.817 194 HG LEU 23 HG LEU 23 -11.704 2.590 1.247 195 HD11 LEU 23 HD11 LEU 23 -12.646 0.831 3.047 196 HD12 LEU 23 HD12 LEU 23 -11.992 -0.315 1.877 197 HD13 LEU 23 HD13 LEU 23 -13.212 0.854 1.377 198 HD21 LEU 23 HD21 LEU 23 -10.872 1.524 3.761 199 HD22 LEU 23 HD22 LEU 23 -10.512 3.111 3.082 200 HD23 LEU 23 HD23 LEU 23 -9.426 1.756 2.779 201 HA PRO 24 HA PRO 24 -14.526 1.149 -2.297 202 HB2 PRO 24 HB2 PRO 24 -14.787 -1.352 -3.360 203 HB3 PRO 24 HB1 PRO 24 -14.005 -0.010 -4.216 204 HG2 PRO 24 HG2 PRO 24 -12.818 -2.396 -3.045 205 HG3 PRO 24 HG1 PRO 24 -12.156 -1.275 -4.240 206 HD2 PRO 24 HD2 PRO 24 -11.608 -1.412 -1.422 207 HD3 PRO 24 HD1 PRO 24 -10.879 -0.337 -2.635 208 HA PRO 25 HA PRO 25 -16.649 -0.894 1.007 209 HB2 PRO 25 HB2 PRO 25 -19.023 -1.668 -0.101 210 HB3 PRO 25 HB1 PRO 25 -18.626 0.025 0.266 211 HG2 PRO 25 HG2 PRO 25 -18.523 -1.413 -2.336 212 HG3 PRO 25 HG1 PRO 25 -19.067 0.235 -1.975 213 HD2 PRO 25 HD2 PRO 25 -16.641 -0.312 -3.047 214 HD3 PRO 25 HD1 PRO 25 -16.943 1.089 -1.993 215 H ARG 26 HN ARG 26 -17.573 -3.014 1.726 216 HA ARG 26 HA ARG 26 -16.424 -5.298 0.170 217 HB2 ARG 26 HB2 ARG 26 -16.236 -6.411 2.384 218 HB3 ARG 26 HB1 ARG 26 -15.344 -4.899 2.322 219 HG2 ARG 26 HG2 ARG 26 -17.121 -3.756 3.557 220 HG3 ARG 26 HG1 ARG 26 -18.118 -5.208 3.518 221 HD2 ARG 26 HD2 ARG 26 -17.179 -5.510 5.602 222 HD3 ARG 26 HD1 ARG 26 -15.891 -6.255 4.638 223 HE ARG 26 HE ARG 26 -15.721 -3.666 5.997 224 HH11 ARG 26 HH21 ARG 26 -13.657 -5.944 5.189 225 HH12 ARG 26 HH22 ARG 26 -12.570 -5.000 4.230 226 HH21 ARG 26 HH11 ARG 26 -14.735 -2.287 3.969 227 HH22 ARG 26 HH12 ARG 26 -13.183 -2.918 3.534 228 H ALA 27 HN ALA 27 -19.237 -4.363 2.181 229 HA ALA 27 HA ALA 27 -21.101 -5.861 0.524 230 HB1 ALA 27 HB1 ALA 27 -20.027 -7.710 1.711 231 HB2 ALA 27 HB2 ALA 27 -21.676 -7.520 2.304 232 HB3 ALA 27 HB3 ALA 27 -20.322 -6.922 3.261 233 H TYR 28 HN TYR 28 -20.847 -3.136 1.703 234 HA TYR 28 HA TYR 28 -23.411 -3.077 3.246 235 HB2 TYR 28 HB2 TYR 28 -22.452 -1.376 4.696 236 HB3 TYR 28 HB1 TYR 28 -21.416 -2.794 4.693 237 HD1 TYR 28 HD1 TYR 28 -21.794 0.681 3.462 238 HD2 TYR 28 HD2 TYR 28 -19.170 -2.705 3.790 239 HE1 TYR 28 HE1 TYR 28 -19.882 2.095 2.770 240 HE2 TYR 28 HE2 TYR 28 -17.260 -1.287 3.096 241 HH TYR 28 HH TYR 28 -17.272 1.978 3.150 242 H ALA 29 HN ALA 29 -21.334 -1.396 0.883 243 HA ALA 29 HA ALA 29 -23.567 0.531 0.381 244 HB1 ALA 29 HB1 ALA 29 -21.622 1.786 -0.766 245 HB2 ALA 29 HB2 ALA 29 -20.566 0.613 0.020 246 HB3 ALA 29 HB3 ALA 29 -21.579 1.679 0.993 Start of MODEL 18 1 H1 ARG 1 HT1 ARG 1 25.707 -2.136 2.063 2 H2 ARG 1 HT2 ARG 1 26.231 -3.620 1.428 3 H3 ARG 1 HT3 ARG 1 25.445 -3.564 2.934 4 HA ARG 1 HA ARG 1 24.150 -2.721 0.390 5 HB2 ARG 1 HB2 ARG 1 23.109 -4.971 0.415 6 HB3 ARG 1 HB1 ARG 1 24.857 -5.063 0.245 7 HG2 ARG 1 HG2 ARG 1 25.004 -6.334 2.095 8 HG3 ARG 1 HG1 ARG 1 24.189 -5.099 3.051 9 HD2 ARG 1 HD2 ARG 1 22.154 -6.297 1.496 10 HD3 ARG 1 HD1 ARG 1 23.145 -7.633 2.115 11 HE ARG 1 HE ARG 1 21.686 -5.658 3.778 12 HH11 ARG 1 HH11 ARG 1 21.513 -8.684 4.039 13 HH12 ARG 1 HH12 ARG 1 22.463 -8.960 5.457 14 HH21 ARG 1 HH21 ARG 1 23.964 -5.821 5.390 15 HH22 ARG 1 HH22 ARG 1 23.860 -7.331 6.229 16 H LEU 2 HN LEU 2 22.059 -1.967 0.719 17 HA LEU 2 HA LEU 2 20.789 -2.322 3.400 18 HB2 LEU 2 HB2 LEU 2 22.287 -0.145 2.887 19 HB3 LEU 2 HB1 LEU 2 20.766 0.400 2.182 20 HG LEU 2 HG LEU 2 19.847 -0.634 4.515 21 HD11 LEU 2 HD11 LEU 2 22.116 -1.195 5.307 22 HD12 LEU 2 HD12 LEU 2 21.388 0.053 6.318 23 HD13 LEU 2 HD13 LEU 2 22.602 0.490 5.116 24 HD21 LEU 2 HD21 LEU 2 19.393 1.624 3.631 25 HD22 LEU 2 HD22 LEU 2 21.008 2.144 4.111 26 HD23 LEU 2 HD23 LEU 2 19.822 1.703 5.340 27 H VAL 3 HN VAL 3 18.659 -2.857 3.105 28 HA VAL 3 HA VAL 3 17.158 -1.731 0.793 29 HB VAL 3 HB VAL 3 16.173 -4.126 0.551 30 HG11 VAL 3 HG11 VAL 3 17.668 -2.908 -1.073 31 HG12 VAL 3 HG12 VAL 3 17.793 -4.667 -1.129 32 HG13 VAL 3 HG13 VAL 3 19.040 -3.719 -0.318 33 HG21 VAL 3 HG21 VAL 3 17.482 -4.885 2.669 34 HG22 VAL 3 HG22 VAL 3 18.883 -4.959 1.599 35 HG23 VAL 3 HG23 VAL 3 17.469 -5.963 1.273 36 HA PRO 4 HA PRO 4 14.140 -1.306 4.016 37 HB2 PRO 4 HB2 PRO 4 12.017 -0.554 2.467 38 HB3 PRO 4 HB1 PRO 4 13.370 0.527 2.848 39 HG2 PRO 4 HG2 PRO 4 12.783 -0.947 0.354 40 HG3 PRO 4 HG1 PRO 4 13.560 0.625 0.588 41 HD2 PRO 4 HD2 PRO 4 14.881 -1.732 0.026 42 HD3 PRO 4 HD1 PRO 4 15.621 -0.284 0.741 43 H GLY 5 HN GLY 5 14.216 -3.715 4.358 44 HA2 GLY 5 HA2 GLY 5 13.137 -5.792 4.611 45 HA3 GLY 5 HA1 GLY 5 11.650 -4.937 4.226 46 H ALA 6 HN ALA 6 14.483 -5.267 2.145 47 HA ALA 6 HA ALA 6 14.683 -6.057 -0.070 48 HB1 ALA 6 HB1 ALA 6 14.389 -8.132 1.407 49 HB2 ALA 6 HB2 ALA 6 13.992 -8.345 -0.298 50 HB3 ALA 6 HB3 ALA 6 12.702 -8.145 0.887 51 H ALA 7 HN ALA 7 12.856 -3.964 0.219 52 HA ALA 7 HA ALA 7 11.191 -2.834 -0.947 53 HB1 ALA 7 HB1 ALA 7 11.036 -5.227 -2.779 54 HB2 ALA 7 HB2 ALA 7 12.401 -4.112 -2.826 55 HB3 ALA 7 HB3 ALA 7 10.772 -3.527 -3.168 56 H TYR 8 HN TYR 8 10.529 -5.342 1.006 57 HA TYR 8 HA TYR 8 7.733 -5.788 0.169 58 HB2 TYR 8 HB2 TYR 8 9.639 -6.912 2.173 59 HB3 TYR 8 HB1 TYR 8 7.937 -6.991 2.591 60 HD1 TYR 8 HD1 TYR 8 6.342 -8.239 1.170 61 HD2 TYR 8 HD2 TYR 8 10.556 -8.202 0.339 62 HE1 TYR 8 HE1 TYR 8 6.059 -10.180 -0.345 63 HE2 TYR 8 HE2 TYR 8 10.273 -10.142 -1.177 64 HH TYR 8 HH TYR 8 8.064 -11.055 -2.606 65 H ALA 9 HN ALA 9 9.573 -4.148 2.696 66 HA ALA 9 HA ALA 9 7.194 -3.103 4.038 67 HB1 ALA 9 HB1 ALA 9 10.058 -2.170 4.325 68 HB2 ALA 9 HB2 ALA 9 9.483 -3.666 5.060 69 HB3 ALA 9 HB3 ALA 9 8.779 -2.122 5.540 70 H LEU 10 HN LEU 10 8.814 -2.274 1.186 71 HA LEU 10 HA LEU 10 7.897 0.575 1.322 72 HB2 LEU 10 HB2 LEU 10 10.424 -0.315 0.935 73 HB3 LEU 10 HB1 LEU 10 9.851 -0.398 -0.725 74 HG LEU 10 HG LEU 10 9.628 2.075 1.016 75 HD11 LEU 10 HD11 LEU 10 11.724 1.108 -0.903 76 HD12 LEU 10 HD12 LEU 10 11.922 1.948 0.635 77 HD13 LEU 10 HD13 LEU 10 11.389 2.836 -0.792 78 HD21 LEU 10 HD21 LEU 10 9.204 3.153 -1.226 79 HD22 LEU 10 HD22 LEU 10 7.942 2.024 -0.739 80 HD23 LEU 10 HD23 LEU 10 9.143 1.541 -1.936 81 H TYR 11 HN TYR 11 8.616 -1.907 -1.165 82 HA TYR 11 HA TYR 11 6.559 -0.945 -2.968 83 HB2 TYR 11 HB2 TYR 11 8.752 -2.852 -2.922 84 HB3 TYR 11 HB1 TYR 11 7.349 -3.519 -3.748 85 HD1 TYR 11 HD1 TYR 11 6.326 -2.260 -5.677 86 HD2 TYR 11 HD2 TYR 11 10.026 -1.059 -3.853 87 HE1 TYR 11 HE1 TYR 11 6.842 -0.845 -7.647 88 HE2 TYR 11 HE2 TYR 11 10.541 0.354 -5.822 89 HH TYR 11 HH TYR 11 9.487 0.094 -8.595 90 H GLY 12 HN GLY 12 6.592 -3.299 -0.393 91 HA2 GLY 12 HA2 GLY 12 4.077 -4.556 -1.321 92 HA3 GLY 12 HA1 GLY 12 5.019 -5.046 0.086 93 H VAL 13 HN VAL 13 4.973 -1.830 0.510 94 HA VAL 13 HA VAL 13 2.459 -1.885 2.118 95 HB VAL 13 HB VAL 13 5.134 -0.503 2.417 96 HG11 VAL 13 HG11 VAL 13 2.531 -0.046 3.863 97 HG12 VAL 13 HG12 VAL 13 3.674 1.143 3.240 98 HG13 VAL 13 HG13 VAL 13 4.072 0.211 4.683 99 HG21 VAL 13 HG21 VAL 13 3.684 -2.386 4.298 100 HG22 VAL 13 HG22 VAL 13 5.366 -1.864 4.382 101 HG23 VAL 13 HG23 VAL 13 4.841 -2.940 3.086 102 H TRP 14 HN TRP 14 4.440 0.155 -0.005 103 HA TRP 14 HA TRP 14 2.998 2.553 -0.021 104 HB2 TRP 14 HB2 TRP 14 5.160 2.148 -1.126 105 HB3 TRP 14 HB1 TRP 14 4.367 1.163 -2.336 106 HD1 TRP 14 HD1 TRP 14 4.397 2.529 -4.475 107 HE1 TRP 14 HE1 TRP 14 3.697 4.915 -5.146 108 HE3 TRP 14 HE3 TRP 14 3.250 4.448 0.123 109 HZ2 TRP 14 HZ2 TRP 14 2.775 7.320 -3.904 110 HZ3 TRP 14 HZ3 TRP 14 2.466 6.783 0.345 111 HH2 TRP 14 HH2 TRP 14 2.227 8.223 -1.657 112 HA PRO 15 HA PRO 15 0.162 1.045 -3.593 113 HB2 PRO 15 HB2 PRO 15 0.001 -1.640 -4.093 114 HB3 PRO 15 HB1 PRO 15 1.146 -0.560 -4.917 115 HG2 PRO 15 HG2 PRO 15 1.609 -2.409 -2.632 116 HG3 PRO 15 HG1 PRO 15 2.637 -2.062 -4.032 117 HD2 PRO 15 HD2 PRO 15 3.086 -1.000 -1.590 118 HD3 PRO 15 HD1 PRO 15 3.515 -0.153 -3.090 119 H LEU 16 HN LEU 16 0.515 -1.037 -0.735 120 HA LEU 16 HA LEU 16 -2.262 -1.791 -0.510 121 HB2 LEU 16 HB2 LEU 16 0.216 -1.844 1.137 122 HB3 LEU 16 HB1 LEU 16 -1.297 -1.881 2.038 123 HG LEU 16 HG LEU 16 -2.048 -3.784 0.573 124 HD11 LEU 16 HD11 LEU 16 -0.704 -3.552 -1.377 125 HD12 LEU 16 HD12 LEU 16 -0.099 -5.001 -0.576 126 HD13 LEU 16 HD13 LEU 16 0.786 -3.483 -0.438 127 HD21 LEU 16 HD21 LEU 16 0.573 -4.354 1.985 128 HD22 LEU 16 HD22 LEU 16 -0.795 -5.446 1.779 129 HD23 LEU 16 HD23 LEU 16 -0.936 -4.051 2.846 130 H LEU 17 HN LEU 17 -0.341 0.858 0.847 131 HA LEU 17 HA LEU 17 -2.467 2.104 2.358 132 HB2 LEU 17 HB2 LEU 17 0.283 2.709 1.436 133 HB3 LEU 17 HB1 LEU 17 -0.731 4.133 1.640 134 HG LEU 17 HG LEU 17 -0.655 2.043 3.800 135 HD11 LEU 17 HD11 LEU 17 1.247 3.120 4.833 136 HD12 LEU 17 HD12 LEU 17 1.293 4.355 3.574 137 HD13 LEU 17 HD13 LEU 17 1.709 2.685 3.187 138 HD21 LEU 17 HD21 LEU 17 -1.117 5.041 3.679 139 HD22 LEU 17 HD22 LEU 17 -1.043 4.122 5.182 140 HD23 LEU 17 HD23 LEU 17 -2.322 3.797 4.012 141 H LEU 18 HN LEU 18 -1.201 2.518 -0.911 142 HA LEU 18 HA LEU 18 -2.898 4.652 -1.801 143 HB2 LEU 18 HB2 LEU 18 -1.071 2.610 -2.890 144 HB3 LEU 18 HB1 LEU 18 -2.365 3.024 -4.006 145 HG LEU 18 HG LEU 18 -1.792 5.416 -3.796 146 HD11 LEU 18 HD11 LEU 18 -0.860 5.174 -1.437 147 HD12 LEU 18 HD12 LEU 18 0.102 6.169 -2.527 148 HD13 LEU 18 HD13 LEU 18 0.602 4.517 -2.172 149 HD21 LEU 18 HD21 LEU 18 -0.692 4.035 -5.536 150 HD22 LEU 18 HD22 LEU 18 0.611 3.666 -4.407 151 HD23 LEU 18 HD23 LEU 18 0.372 5.321 -4.968 152 H LEU 19 HN LEU 19 -3.249 1.101 -1.791 153 HA LEU 19 HA LEU 19 -5.813 0.963 -3.102 154 HB2 LEU 19 HB2 LEU 19 -3.844 -0.775 -2.046 155 HB3 LEU 19 HB1 LEU 19 -5.324 -1.155 -1.179 156 HG LEU 19 HG LEU 19 -5.355 -0.854 -4.175 157 HD11 LEU 19 HD11 LEU 19 -3.559 -2.510 -3.375 158 HD12 LEU 19 HD12 LEU 19 -4.778 -3.136 -4.485 159 HD13 LEU 19 HD13 LEU 19 -4.896 -3.485 -2.760 160 HD21 LEU 19 HD21 LEU 19 -7.469 -0.980 -2.783 161 HD22 LEU 19 HD22 LEU 19 -6.973 -2.602 -2.292 162 HD23 LEU 19 HD23 LEU 19 -7.317 -2.260 -3.987 163 H LEU 20 HN LEU 20 -4.762 1.199 0.248 164 HA LEU 20 HA LEU 20 -7.338 0.934 1.522 165 HB2 LEU 20 HB2 LEU 20 -4.550 1.496 2.178 166 HB3 LEU 20 HB1 LEU 20 -5.631 2.487 3.142 167 HG LEU 20 HG LEU 20 -5.121 0.344 4.255 168 HD11 LEU 20 HD11 LEU 20 -7.439 1.534 4.333 169 HD12 LEU 20 HD12 LEU 20 -7.299 -0.101 4.976 170 HD13 LEU 20 HD13 LEU 20 -7.990 0.159 3.376 171 HD21 LEU 20 HD21 LEU 20 -6.124 -0.751 1.643 172 HD22 LEU 20 HD22 LEU 20 -6.390 -1.680 3.115 173 HD23 LEU 20 HD23 LEU 20 -4.751 -1.268 2.619 174 H LEU 21 HN LEU 21 -5.490 3.736 0.302 175 HA LEU 21 HA LEU 21 -7.071 5.836 1.394 176 HB2 LEU 21 HB2 LEU 21 -4.808 5.868 0.166 177 HB3 LEU 21 HB1 LEU 21 -5.752 5.858 -1.324 178 HG LEU 21 HG LEU 21 -7.034 7.849 -0.051 179 HD11 LEU 21 HD11 LEU 21 -4.189 7.930 1.002 180 HD12 LEU 21 HD12 LEU 21 -5.649 7.713 1.967 181 HD13 LEU 21 HD13 LEU 21 -5.358 9.243 1.140 182 HD21 LEU 21 HD21 LEU 21 -5.725 9.385 -1.385 183 HD22 LEU 21 HD22 LEU 21 -5.846 7.874 -2.286 184 HD23 LEU 21 HD23 LEU 21 -4.360 8.269 -1.423 185 H ALA 22 HN ALA 22 -7.424 3.991 -1.594 186 HA ALA 22 HA ALA 22 -10.170 5.151 -1.969 187 HB1 ALA 22 HB1 ALA 22 -8.162 5.617 -3.611 188 HB2 ALA 22 HB2 ALA 22 -9.744 5.214 -4.278 189 HB3 ALA 22 HB3 ALA 22 -8.488 3.979 -4.178 190 H LEU 23 HN LEU 23 -9.700 2.906 -0.282 191 HA LEU 23 HA LEU 23 -9.986 0.403 -1.671 192 HB2 LEU 23 HB2 LEU 23 -10.011 -0.518 0.485 193 HB3 LEU 23 HB1 LEU 23 -9.114 0.973 0.705 194 HG LEU 23 HG LEU 23 -11.584 1.914 1.211 195 HD11 LEU 23 HD11 LEU 23 -12.336 -0.601 0.832 196 HD12 LEU 23 HD12 LEU 23 -13.061 0.364 2.116 197 HD13 LEU 23 HD13 LEU 23 -11.784 -0.791 2.496 198 HD21 LEU 23 HD21 LEU 23 -10.293 0.355 3.423 199 HD22 LEU 23 HD22 LEU 23 -10.904 2.009 3.430 200 HD23 LEU 23 HD23 LEU 23 -9.367 1.641 2.651 201 HA PRO 24 HA PRO 24 -14.364 0.585 -2.337 202 HB2 PRO 24 HB2 PRO 24 -14.621 -1.924 -3.384 203 HB3 PRO 24 HB1 PRO 24 -13.885 -0.572 -4.262 204 HG2 PRO 24 HG2 PRO 24 -12.627 -2.936 -3.120 205 HG3 PRO 24 HG1 PRO 24 -12.015 -1.807 -4.333 206 HD2 PRO 24 HD2 PRO 24 -11.384 -1.931 -1.533 207 HD3 PRO 24 HD1 PRO 24 -10.713 -0.842 -2.767 208 HA PRO 25 HA PRO 25 -15.595 -1.429 1.526 209 HB2 PRO 25 HB2 PRO 25 -18.044 -0.246 1.723 210 HB3 PRO 25 HB1 PRO 25 -16.533 0.565 2.183 211 HG2 PRO 25 HG2 PRO 25 -18.148 0.855 -0.295 212 HG3 PRO 25 HG1 PRO 25 -17.274 2.082 0.637 213 HD2 PRO 25 HD2 PRO 25 -16.330 1.005 -1.676 214 HD3 PRO 25 HD1 PRO 25 -15.285 1.645 -0.388 215 H ARG 26 HN ARG 26 -16.954 -3.181 1.982 216 HA ARG 26 HA ARG 26 -18.268 -4.478 -0.342 217 HB2 ARG 26 HB2 ARG 26 -17.451 -5.331 2.441 218 HB3 ARG 26 HB1 ARG 26 -18.397 -6.377 1.385 219 HG2 ARG 26 HG2 ARG 26 -16.593 -6.925 0.152 220 HG3 ARG 26 HG1 ARG 26 -16.112 -5.237 -0.020 221 HD2 ARG 26 HD2 ARG 26 -15.148 -5.328 2.302 222 HD3 ARG 26 HD1 ARG 26 -15.492 -7.069 2.323 223 HE ARG 26 HE ARG 26 -13.650 -5.752 0.362 224 HH11 ARG 26 HH11 ARG 26 -14.780 -8.359 -0.556 225 HH12 ARG 26 HH12 ARG 26 -13.610 -9.499 0.017 226 HH21 ARG 26 HH21 ARG 26 -12.157 -7.258 2.259 227 HH22 ARG 26 HH22 ARG 26 -12.110 -8.869 1.628 228 H ALA 27 HN ALA 27 -19.113 -3.323 2.934 229 HA ALA 27 HA ALA 27 -22.014 -3.609 2.221 230 HB1 ALA 27 HB1 ALA 27 -21.392 -5.186 3.941 231 HB2 ALA 27 HB2 ALA 27 -22.271 -3.879 4.734 232 HB3 ALA 27 HB3 ALA 27 -20.512 -3.946 4.835 233 H TYR 28 HN TYR 28 -21.199 -1.361 1.311 234 HA TYR 28 HA TYR 28 -21.090 0.774 3.352 235 HB2 TYR 28 HB2 TYR 28 -20.499 2.204 1.492 236 HB3 TYR 28 HB1 TYR 28 -19.593 0.707 1.348 237 HD1 TYR 28 HD2 TYR 28 -22.343 2.731 -0.032 238 HD2 TYR 28 HD1 TYR 28 -20.059 -0.883 -0.462 239 HE1 TYR 28 HE2 TYR 28 -23.275 2.411 -2.303 240 HE2 TYR 28 HE1 TYR 28 -20.991 -1.200 -2.735 241 HH TYR 28 HH TYR 28 -22.174 0.910 -4.548 242 H ALA 29 HN ALA 29 -23.344 -0.336 0.799 243 HA ALA 29 HA ALA 29 -25.613 0.866 2.192 244 HB1 ALA 29 HB1 ALA 29 -26.142 2.534 0.517 245 HB2 ALA 29 HB2 ALA 29 -24.813 1.996 -0.507 246 HB3 ALA 29 HB3 ALA 29 -24.475 2.797 1.028 Start of MODEL 19 1 H1 ARG 1 HT1 ARG 1 12.346 -3.160 -6.796 2 H2 ARG 1 HT2 ARG 1 13.761 -4.049 -7.106 3 H3 ARG 1 HT3 ARG 1 13.126 -3.971 -5.532 4 HA ARG 1 HA ARG 1 11.253 -5.302 -6.101 5 HB2 ARG 1 HB2 ARG 1 11.780 -4.057 -8.593 6 HB3 ARG 1 HB1 ARG 1 11.849 -5.793 -8.881 7 HG2 ARG 1 HG2 ARG 1 9.648 -6.112 -7.943 8 HG3 ARG 1 HG1 ARG 1 9.580 -4.435 -7.404 9 HD2 ARG 1 HD2 ARG 1 9.899 -5.169 -10.328 10 HD3 ARG 1 HD1 ARG 1 8.312 -4.936 -9.571 11 HE ARG 1 HE ARG 1 9.439 -2.651 -8.793 12 HH11 ARG 1 HH21 ARG 1 7.858 -2.377 -11.240 13 HH12 ARG 1 HH22 ARG 1 9.002 -1.802 -12.404 14 HH21 ARG 1 HH11 ARG 1 11.777 -2.758 -10.520 15 HH22 ARG 1 HH12 ARG 1 11.246 -2.021 -11.993 16 H LEU 2 HN LEU 2 14.196 -5.761 -5.435 17 HA LEU 2 HA LEU 2 14.243 -8.658 -6.054 18 HB2 LEU 2 HB2 LEU 2 15.901 -6.578 -7.328 19 HB3 LEU 2 HB1 LEU 2 16.823 -7.939 -6.696 20 HG LEU 2 HG LEU 2 14.476 -8.949 -8.018 21 HD11 LEU 2 HD11 LEU 2 14.932 -8.187 -10.303 22 HD12 LEU 2 HD12 LEU 2 16.221 -7.137 -9.714 23 HD13 LEU 2 HD13 LEU 2 14.545 -6.810 -9.272 24 HD21 LEU 2 HD21 LEU 2 16.562 -10.196 -7.649 25 HD22 LEU 2 HD22 LEU 2 17.439 -9.062 -8.677 26 HD23 LEU 2 HD23 LEU 2 16.206 -10.112 -9.374 27 H VAL 3 HN VAL 3 13.951 -7.207 -3.526 28 HA VAL 3 HA VAL 3 16.431 -8.157 -2.147 29 HB VAL 3 HB VAL 3 14.933 -5.657 -1.359 30 HG11 VAL 3 HG11 VAL 3 17.075 -5.159 -0.203 31 HG12 VAL 3 HG12 VAL 3 17.704 -6.713 -0.750 32 HG13 VAL 3 HG13 VAL 3 16.338 -6.658 0.365 33 HG21 VAL 3 HG21 VAL 3 15.732 -5.014 -3.488 34 HG22 VAL 3 HG22 VAL 3 17.184 -6.004 -3.341 35 HG23 VAL 3 HG23 VAL 3 17.034 -4.515 -2.408 36 HA PRO 4 HA PRO 4 13.260 -10.083 0.314 37 HB2 PRO 4 HB2 PRO 4 14.933 -11.473 1.962 38 HB3 PRO 4 HB1 PRO 4 14.608 -11.940 0.282 39 HG2 PRO 4 HG2 PRO 4 17.009 -10.742 1.455 40 HG3 PRO 4 HG1 PRO 4 16.825 -11.698 -0.021 41 HD2 PRO 4 HD2 PRO 4 17.092 -8.882 0.193 42 HD3 PRO 4 HD1 PRO 4 16.786 -9.827 -1.276 43 H GLY 5 HN GLY 5 12.284 -8.451 1.535 44 HA2 GLY 5 HA2 GLY 5 11.821 -7.837 3.875 45 HA3 GLY 5 HA1 GLY 5 13.562 -7.771 4.149 46 H ALA 6 HN ALA 6 14.599 -6.230 2.285 47 HA ALA 6 HA ALA 6 13.735 -3.553 2.935 48 HB1 ALA 6 HB1 ALA 6 15.714 -2.965 1.945 49 HB2 ALA 6 HB2 ALA 6 15.446 -4.013 0.554 50 HB3 ALA 6 HB3 ALA 6 16.037 -4.693 2.070 51 H ALA 7 HN ALA 7 13.472 -5.515 -0.007 52 HA ALA 7 HA ALA 7 11.737 -3.456 -1.280 53 HB1 ALA 7 HB1 ALA 7 12.116 -4.798 -3.291 54 HB2 ALA 7 HB2 ALA 7 12.855 -6.075 -2.326 55 HB3 ALA 7 HB3 ALA 7 13.656 -4.512 -2.480 56 H TYR 8 HN TYR 8 10.951 -5.430 1.018 57 HA TYR 8 HA TYR 8 8.643 -6.777 -0.322 58 HB2 TYR 8 HB2 TYR 8 10.561 -7.491 1.744 59 HB3 TYR 8 HB1 TYR 8 8.917 -7.622 2.359 60 HD1 TYR 8 HD1 TYR 8 11.138 -8.671 -0.459 61 HD2 TYR 8 HD2 TYR 8 7.517 -9.420 1.731 62 HE1 TYR 8 HE1 TYR 8 10.839 -10.809 -1.678 63 HE2 TYR 8 HE2 TYR 8 7.220 -11.556 0.511 64 HH TYR 8 HH TYR 8 8.343 -12.329 -2.140 65 H ALA 9 HN ALA 9 9.490 -5.117 2.712 66 HA ALA 9 HA ALA 9 6.795 -4.491 3.489 67 HB1 ALA 9 HB1 ALA 9 7.901 -2.992 5.096 68 HB2 ALA 9 HB2 ALA 9 9.397 -3.082 4.168 69 HB3 ALA 9 HB3 ALA 9 8.785 -4.515 4.996 70 H LEU 10 HN LEU 10 9.253 -2.702 1.703 71 HA LEU 10 HA LEU 10 7.949 -0.192 1.363 72 HB2 LEU 10 HB2 LEU 10 10.323 -1.349 0.644 73 HB3 LEU 10 HB1 LEU 10 9.506 -1.296 -0.913 74 HG LEU 10 HG LEU 10 9.403 1.164 0.780 75 HD11 LEU 10 HD11 LEU 10 11.832 0.047 0.563 76 HD12 LEU 10 HD12 LEU 10 11.593 1.791 0.454 77 HD13 LEU 10 HD13 LEU 10 11.764 0.831 -1.016 78 HD21 LEU 10 HD21 LEU 10 10.037 1.035 -2.150 79 HD22 LEU 10 HD22 LEU 10 9.068 2.214 -1.267 80 HD23 LEU 10 HD23 LEU 10 8.402 0.624 -1.631 81 H TYR 11 HN TYR 11 8.006 -3.030 -0.806 82 HA TYR 11 HA TYR 11 6.039 -1.994 -2.658 83 HB2 TYR 11 HB2 TYR 11 7.534 -4.528 -2.168 84 HB3 TYR 11 HB1 TYR 11 6.111 -4.617 -3.201 85 HD1 TYR 11 HD2 TYR 11 9.377 -2.893 -2.739 86 HD2 TYR 11 HD1 TYR 11 6.129 -3.740 -5.419 87 HE1 TYR 11 HE2 TYR 11 10.677 -1.928 -4.615 88 HE2 TYR 11 HE1 TYR 11 7.428 -2.776 -7.296 89 HH TYR 11 HH TYR 11 9.790 -0.796 -7.075 90 H GLY 12 HN GLY 12 5.719 -3.494 0.420 91 HA2 GLY 12 HA2 GLY 12 3.038 -4.586 -0.109 92 HA3 GLY 12 HA1 GLY 12 3.914 -4.680 1.414 93 H VAL 13 HN VAL 13 4.349 -1.549 0.957 94 HA VAL 13 HA VAL 13 1.722 -0.827 2.181 95 HB VAL 13 HB VAL 13 2.949 0.988 3.293 96 HG11 VAL 13 HG11 VAL 13 3.500 -1.856 3.655 97 HG12 VAL 13 HG12 VAL 13 3.144 -0.615 4.854 98 HG13 VAL 13 HG13 VAL 13 4.795 -0.837 4.281 99 HG21 VAL 13 HG21 VAL 13 5.412 -0.180 1.944 100 HG22 VAL 13 HG22 VAL 13 5.403 1.116 3.138 101 HG23 VAL 13 HG23 VAL 13 4.675 1.375 1.555 102 H TRP 14 HN TRP 14 3.937 0.054 -0.397 103 HA TRP 14 HA TRP 14 2.914 2.619 -1.048 104 HB2 TRP 14 HB2 TRP 14 4.989 1.549 -1.938 105 HB3 TRP 14 HB1 TRP 14 3.995 0.508 -2.937 106 HD1 TRP 14 HD1 TRP 14 4.369 1.392 -5.300 107 HE1 TRP 14 HE1 TRP 14 4.090 3.670 -6.467 108 HE3 TRP 14 HE3 TRP 14 3.416 4.363 -1.249 109 HZ2 TRP 14 HZ2 TRP 14 3.535 6.388 -5.782 110 HZ3 TRP 14 HZ3 TRP 14 3.016 6.784 -1.538 111 HH2 TRP 14 HH2 TRP 14 3.074 7.804 -3.795 112 HA PRO 15 HA PRO 15 -0.277 0.671 -3.996 113 HB2 PRO 15 HB2 PRO 15 -0.710 -2.024 -3.964 114 HB3 PRO 15 HB1 PRO 15 0.492 -1.250 -5.017 115 HG2 PRO 15 HG2 PRO 15 0.885 -2.732 -2.481 116 HG3 PRO 15 HG1 PRO 15 1.908 -2.665 -3.924 117 HD2 PRO 15 HD2 PRO 15 2.402 -1.285 -1.607 118 HD3 PRO 15 HD1 PRO 15 3.020 -0.818 -3.204 119 H LEU 16 HN LEU 16 0.030 -1.061 -0.874 120 HA LEU 16 HA LEU 16 -2.788 -1.392 -0.409 121 HB2 LEU 16 HB2 LEU 16 -0.249 -1.600 1.106 122 HB3 LEU 16 HB1 LEU 16 -1.685 -1.304 2.083 123 HG LEU 16 HG LEU 16 -2.796 -3.217 0.825 124 HD11 LEU 16 HD11 LEU 16 -1.102 -4.866 -0.137 125 HD12 LEU 16 HD12 LEU 16 0.060 -3.540 -0.124 126 HD13 LEU 16 HD13 LEU 16 -1.400 -3.424 -1.106 127 HD21 LEU 16 HD21 LEU 16 -1.766 -4.913 2.234 128 HD22 LEU 16 HD22 LEU 16 -1.820 -3.399 3.135 129 HD23 LEU 16 HD23 LEU 16 -0.308 -3.937 2.406 130 H LEU 17 HN LEU 17 -0.516 1.161 0.569 131 HA LEU 17 HA LEU 17 -2.416 2.757 2.036 132 HB2 LEU 17 HB2 LEU 17 0.101 2.939 2.093 133 HB3 LEU 17 HB1 LEU 17 0.045 3.619 0.469 134 HG LEU 17 HG LEU 17 -1.789 4.991 2.287 135 HD11 LEU 17 HD11 LEU 17 0.207 4.215 3.782 136 HD12 LEU 17 HD12 LEU 17 -0.278 5.910 3.833 137 HD13 LEU 17 HD13 LEU 17 1.131 5.423 2.890 138 HD21 LEU 17 HD21 LEU 17 -1.004 5.777 0.039 139 HD22 LEU 17 HD22 LEU 17 0.618 5.960 0.707 140 HD23 LEU 17 HD23 LEU 17 -0.705 6.951 1.319 141 H LEU 18 HN LEU 18 -1.385 2.683 -1.336 142 HA LEU 18 HA LEU 18 -2.959 4.882 -2.323 143 HB2 LEU 18 HB2 LEU 18 -1.280 2.711 -3.298 144 HB3 LEU 18 HB1 LEU 18 -2.691 2.888 -4.330 145 HG LEU 18 HG LEU 18 -2.191 5.364 -4.449 146 HD11 LEU 18 HD11 LEU 18 -0.828 5.816 -2.581 147 HD12 LEU 18 HD12 LEU 18 0.316 5.833 -3.922 148 HD13 LEU 18 HD13 LEU 18 0.204 4.418 -2.879 149 HD21 LEU 18 HD21 LEU 18 -0.261 5.064 -6.014 150 HD22 LEU 18 HD22 LEU 18 -1.542 3.882 -6.279 151 HD23 LEU 18 HD23 LEU 18 -0.075 3.415 -5.418 152 H LEU 19 HN LEU 19 -3.570 1.386 -1.948 153 HA LEU 19 HA LEU 19 -6.230 1.363 -3.068 154 HB2 LEU 19 HB2 LEU 19 -4.327 -0.449 -1.952 155 HB3 LEU 19 HB1 LEU 19 -5.828 -0.666 -1.064 156 HG LEU 19 HG LEU 19 -5.767 -0.578 -4.085 157 HD11 LEU 19 HD11 LEU 19 -4.264 -2.390 -3.122 158 HD12 LEU 19 HD12 LEU 19 -5.585 -2.967 -4.137 159 HD13 LEU 19 HD13 LEU 19 -5.709 -3.082 -2.382 160 HD21 LEU 19 HD21 LEU 19 -7.698 -1.936 -2.178 161 HD22 LEU 19 HD22 LEU 19 -7.929 -1.616 -3.897 162 HD23 LEU 19 HD23 LEU 19 -7.923 -0.281 -2.743 163 H LEU 20 HN LEU 20 -4.909 1.828 0.163 164 HA LEU 20 HA LEU 20 -7.390 1.810 1.636 165 HB2 LEU 20 HB2 LEU 20 -4.552 2.256 2.052 166 HB3 LEU 20 HB1 LEU 20 -5.476 3.463 2.928 167 HG LEU 20 HG LEU 20 -5.114 1.540 4.363 168 HD11 LEU 20 HD11 LEU 20 -7.291 1.272 5.135 169 HD12 LEU 20 HD12 LEU 20 -7.969 1.190 3.509 170 HD13 LEU 20 HD13 LEU 20 -7.443 2.740 4.168 171 HD21 LEU 20 HD21 LEU 20 -6.364 -0.640 3.564 172 HD22 LEU 20 HD22 LEU 20 -4.730 -0.307 2.996 173 HD23 LEU 20 HD23 LEU 20 -6.111 0.040 1.957 174 H LEU 21 HN LEU 21 -5.469 4.412 0.112 175 HA LEU 21 HA LEU 21 -6.879 6.687 1.028 176 HB2 LEU 21 HB2 LEU 21 -4.714 6.447 -0.335 177 HB3 LEU 21 HB1 LEU 21 -5.753 6.334 -1.755 178 HG LEU 21 HG LEU 21 -6.823 8.532 -0.577 179 HD11 LEU 21 HD11 LEU 21 -3.873 8.513 0.128 180 HD12 LEU 21 HD12 LEU 21 -5.222 8.558 1.263 181 HD13 LEU 21 HD13 LEU 21 -4.912 9.936 0.205 182 HD21 LEU 21 HD21 LEU 21 -5.896 8.197 -2.927 183 HD22 LEU 21 HD22 LEU 21 -4.320 8.658 -2.284 184 HD23 LEU 21 HD23 LEU 21 -5.658 9.808 -2.250 185 H ALA 22 HN ALA 22 -7.702 4.380 -1.461 186 HA ALA 22 HA ALA 22 -10.410 5.599 -1.764 187 HB1 ALA 22 HB1 ALA 22 -10.195 5.654 -4.121 188 HB2 ALA 22 HB2 ALA 22 -8.846 4.519 -4.115 189 HB3 ALA 22 HB3 ALA 22 -8.601 6.182 -3.583 190 H LEU 23 HN LEU 23 -9.991 3.513 -0.091 191 HA LEU 23 HA LEU 23 -10.044 0.924 -1.374 192 HB2 LEU 23 HB2 LEU 23 -10.053 0.085 0.828 193 HB3 LEU 23 HB1 LEU 23 -9.173 1.595 0.935 194 HG LEU 23 HG LEU 23 -11.684 2.501 1.433 195 HD11 LEU 23 HD11 LEU 23 -11.547 -0.310 2.577 196 HD12 LEU 23 HD12 LEU 23 -12.677 0.245 1.342 197 HD13 LEU 23 HD13 LEU 23 -12.769 0.896 2.978 198 HD21 LEU 23 HD21 LEU 23 -10.025 1.215 3.607 199 HD22 LEU 23 HD22 LEU 23 -10.990 2.688 3.695 200 HD23 LEU 23 HD23 LEU 23 -9.492 2.672 2.769 201 HA PRO 24 HA PRO 24 -14.438 0.800 -2.002 202 HB2 PRO 24 HB2 PRO 24 -14.447 -1.609 -3.284 203 HB3 PRO 24 HB1 PRO 24 -13.878 -0.110 -4.043 204 HG2 PRO 24 HG2 PRO 24 -12.350 -2.423 -3.165 205 HG3 PRO 24 HG1 PRO 24 -11.882 -1.109 -4.247 206 HD2 PRO 24 HD2 PRO 24 -11.224 -1.464 -1.460 207 HD3 PRO 24 HD1 PRO 24 -10.647 -0.217 -2.587 208 HA PRO 25 HA PRO 25 -15.950 -1.724 1.318 209 HB2 PRO 25 HB2 PRO 25 -18.504 -2.238 0.488 210 HB3 PRO 25 HB1 PRO 25 -17.982 -0.654 1.102 211 HG2 PRO 25 HG2 PRO 25 -18.353 -1.557 -1.707 212 HG3 PRO 25 HG1 PRO 25 -18.758 -0.004 -0.956 213 HD2 PRO 25 HD2 PRO 25 -16.559 -0.362 -2.491 214 HD3 PRO 25 HD1 PRO 25 -16.628 0.808 -1.154 215 H ARG 26 HN ARG 26 -16.298 -3.928 1.836 216 HA ARG 26 HA ARG 26 -16.389 -5.899 -0.410 217 HB2 ARG 26 HB2 ARG 26 -14.160 -5.207 1.313 218 HB3 ARG 26 HB1 ARG 26 -14.603 -6.900 1.537 219 HG2 ARG 26 HG2 ARG 26 -13.942 -7.489 -0.557 220 HG3 ARG 26 HG1 ARG 26 -14.552 -6.001 -1.278 221 HD2 ARG 26 HD2 ARG 26 -12.260 -5.532 0.503 222 HD3 ARG 26 HD1 ARG 26 -11.869 -6.578 -0.874 223 HE ARG 26 HE ARG 26 -12.680 -3.761 -1.041 224 HH11 ARG 26 HH21 ARG 26 -10.589 -5.141 -2.763 225 HH12 ARG 26 HH22 ARG 26 -11.399 -5.226 -4.291 226 HH21 ARG 26 HH11 ARG 26 -14.551 -4.587 -2.938 227 HH22 ARG 26 HH12 ARG 26 -13.666 -4.909 -4.390 228 H ALA 27 HN ALA 27 -16.025 -5.974 3.166 229 HA ALA 27 HA ALA 27 -17.186 -7.158 4.820 230 HB1 ALA 27 HB1 ALA 27 -18.840 -5.464 4.058 231 HB2 ALA 27 HB2 ALA 27 -19.607 -6.942 4.644 232 HB3 ALA 27 HB3 ALA 27 -19.481 -6.642 2.911 233 H TYR 28 HN TYR 28 -15.861 -8.864 3.011 234 HA TYR 28 HA TYR 28 -17.629 -10.969 2.045 235 HB2 TYR 28 HB2 TYR 28 -15.573 -12.033 1.370 236 HB3 TYR 28 HB1 TYR 28 -15.380 -10.307 1.095 237 HD1 TYR 28 HD1 TYR 28 -14.411 -13.166 3.217 238 HD2 TYR 28 HD2 TYR 28 -13.835 -8.979 2.447 239 HE1 TYR 28 HE1 TYR 28 -12.405 -13.173 4.668 240 HE2 TYR 28 HE2 TYR 28 -11.830 -8.987 3.900 241 HH TYR 28 HH TYR 28 -10.126 -11.384 4.661 242 H ALA 29 HN ALA 29 -15.911 -10.342 5.057 243 HA ALA 29 HA ALA 29 -16.896 -12.960 6.144 244 HB1 ALA 29 HB1 ALA 29 -14.363 -11.369 6.624 245 HB2 ALA 29 HB2 ALA 29 -14.505 -13.014 6.001 246 HB3 ALA 29 HB3 ALA 29 -14.878 -12.676 7.691 Start of MODEL 20 1 H1 ARG 1 HT1 ARG 1 14.505 2.610 -5.224 2 H2 ARG 1 HT2 ARG 1 13.129 2.434 -6.203 3 H3 ARG 1 HT3 ARG 1 14.415 3.421 -6.711 4 HA ARG 1 HA ARG 1 14.505 1.343 -7.924 5 HB2 ARG 1 HB2 ARG 1 16.530 2.639 -6.847 6 HB3 ARG 1 HB1 ARG 1 16.652 1.213 -5.817 7 HG2 ARG 1 HG2 ARG 1 16.941 -0.235 -7.720 8 HG3 ARG 1 HG1 ARG 1 16.567 1.074 -8.841 9 HD2 ARG 1 HD2 ARG 1 18.877 1.360 -6.921 10 HD3 ARG 1 HD1 ARG 1 19.083 0.479 -8.448 11 HE ARG 1 HE ARG 1 18.127 3.318 -8.304 12 HH11 ARG 1 HH11 ARG 1 17.591 1.870 -10.867 13 HH12 ARG 1 HH12 ARG 1 18.990 2.253 -11.810 14 HH21 ARG 1 HH21 ARG 1 20.863 3.306 -9.064 15 HH22 ARG 1 HH22 ARG 1 20.861 3.074 -10.778 16 H LEU 2 HN LEU 2 14.260 -0.922 -7.898 17 HA LEU 2 HA LEU 2 12.926 -2.104 -5.607 18 HB2 LEU 2 HB2 LEU 2 13.108 -2.590 -8.333 19 HB3 LEU 2 HB1 LEU 2 13.989 -3.947 -7.632 20 HG LEU 2 HG LEU 2 11.222 -3.081 -6.746 21 HD11 LEU 2 HD11 LEU 2 12.068 -5.363 -8.557 22 HD12 LEU 2 HD12 LEU 2 11.178 -3.924 -9.056 23 HD13 LEU 2 HD13 LEU 2 10.433 -5.085 -7.958 24 HD21 LEU 2 HD21 LEU 2 12.312 -4.261 -4.973 25 HD22 LEU 2 HD22 LEU 2 13.024 -5.426 -6.088 26 HD23 LEU 2 HD23 LEU 2 11.290 -5.454 -5.772 27 H VAL 3 HN VAL 3 13.955 -2.780 -3.841 28 HA VAL 3 HA VAL 3 16.600 -4.156 -4.048 29 HB VAL 3 HB VAL 3 15.803 -2.126 -1.941 30 HG11 VAL 3 HG11 VAL 3 17.447 -3.673 -1.116 31 HG12 VAL 3 HG12 VAL 3 18.270 -2.154 -1.469 32 HG13 VAL 3 HG13 VAL 3 18.410 -3.512 -2.585 33 HG21 VAL 3 HG21 VAL 3 17.288 -1.808 -4.539 34 HG22 VAL 3 HG22 VAL 3 17.723 -0.796 -3.163 35 HG23 VAL 3 HG23 VAL 3 16.086 -0.743 -3.813 36 HA PRO 4 HA PRO 4 14.319 -6.987 -1.509 37 HB2 PRO 4 HB2 PRO 4 16.374 -8.607 -0.732 38 HB3 PRO 4 HB1 PRO 4 15.675 -8.628 -2.362 39 HG2 PRO 4 HG2 PRO 4 18.224 -7.484 -1.424 40 HG3 PRO 4 HG1 PRO 4 17.789 -8.143 -3.007 41 HD2 PRO 4 HD2 PRO 4 17.968 -5.436 -2.341 42 HD3 PRO 4 HD1 PRO 4 17.200 -6.103 -3.792 43 H GLY 5 HN GLY 5 13.582 -6.688 0.543 44 HA2 GLY 5 HA2 GLY 5 13.765 -6.658 2.929 45 HA3 GLY 5 HA1 GLY 5 15.462 -6.208 2.772 46 H ALA 6 HN ALA 6 15.495 -3.990 1.285 47 HA ALA 6 HA ALA 6 14.204 -1.994 3.025 48 HB1 ALA 6 HB1 ALA 6 16.061 -1.669 0.657 49 HB2 ALA 6 HB2 ALA 6 16.592 -1.893 2.325 50 HB3 ALA 6 HB3 ALA 6 15.692 -0.446 1.874 51 H ALA 7 HN ALA 7 14.276 -2.649 -0.473 52 HA ALA 7 HA ALA 7 11.743 -1.066 -0.745 53 HB1 ALA 7 HB1 ALA 7 12.756 -1.179 -3.245 54 HB2 ALA 7 HB2 ALA 7 14.244 -1.372 -2.322 55 HB3 ALA 7 HB3 ALA 7 13.237 0.052 -2.078 56 H TYR 8 HN TYR 8 11.438 -3.669 0.104 57 HA TYR 8 HA TYR 8 10.314 -5.056 -2.301 58 HB2 TYR 8 HB2 TYR 8 12.522 -5.872 -0.899 59 HB3 TYR 8 HB1 TYR 8 11.244 -6.708 -0.020 60 HD1 TYR 8 HD2 TYR 8 12.788 -6.231 -3.367 61 HD2 TYR 8 HD1 TYR 8 10.053 -8.544 -0.993 62 HE1 TYR 8 HE2 TYR 8 12.647 -7.924 -5.174 63 HE2 TYR 8 HE1 TYR 8 9.914 -10.235 -2.799 64 HH TYR 8 HH TYR 8 11.916 -10.753 -4.986 65 H ALA 9 HN ALA 9 10.341 -5.182 1.248 66 HA ALA 9 HA ALA 9 7.590 -6.056 1.507 67 HB1 ALA 9 HB1 ALA 9 7.990 -5.620 3.892 68 HB2 ALA 9 HB2 ALA 9 9.408 -4.647 3.495 69 HB3 ALA 9 HB3 ALA 9 9.420 -6.386 3.200 70 H LEU 10 HN LEU 10 9.268 -2.971 1.634 71 HA LEU 10 HA LEU 10 7.102 -1.231 2.364 72 HB2 LEU 10 HB2 LEU 10 9.835 -1.065 1.803 73 HB3 LEU 10 HB1 LEU 10 9.102 -0.162 0.489 74 HG LEU 10 HG LEU 10 9.626 1.325 2.356 75 HD11 LEU 10 HD11 LEU 10 6.641 1.046 2.478 76 HD12 LEU 10 HD12 LEU 10 7.411 1.463 0.947 77 HD13 LEU 10 HD13 LEU 10 7.624 2.505 2.354 78 HD21 LEU 10 HD21 LEU 10 8.731 1.039 4.545 79 HD22 LEU 10 HD22 LEU 10 9.365 -0.541 4.086 80 HD23 LEU 10 HD23 LEU 10 7.630 -0.231 4.013 81 H TYR 11 HN TYR 11 8.442 -2.193 -0.805 82 HA TYR 11 HA TYR 11 6.666 -0.690 -2.463 83 HB2 TYR 11 HB2 TYR 11 8.379 -3.139 -2.825 84 HB3 TYR 11 HB1 TYR 11 7.417 -2.504 -4.151 85 HD1 TYR 11 HD1 TYR 11 8.604 0.031 -1.815 86 HD2 TYR 11 HD2 TYR 11 9.663 -2.252 -5.303 87 HE1 TYR 11 HE1 TYR 11 10.392 1.655 -2.333 88 HE2 TYR 11 HE2 TYR 11 11.449 -0.620 -5.817 89 HH TYR 11 HH TYR 11 12.870 1.133 -4.120 90 H GLY 12 HN GLY 12 6.084 -3.608 -0.688 91 HA2 GLY 12 HA2 GLY 12 3.765 -4.367 -2.367 92 HA3 GLY 12 HA1 GLY 12 4.404 -5.296 -1.011 93 H VAL 13 HN VAL 13 4.513 -3.183 0.907 94 HA VAL 13 HA VAL 13 1.731 -3.133 1.773 95 HB VAL 13 HB VAL 13 4.280 -1.924 2.879 96 HG11 VAL 13 HG11 VAL 13 1.478 -2.095 3.986 97 HG12 VAL 13 HG12 VAL 13 2.557 -0.701 3.930 98 HG13 VAL 13 HG13 VAL 13 2.877 -2.018 5.056 99 HG21 VAL 13 HG21 VAL 13 4.648 -3.912 3.947 100 HG22 VAL 13 HG22 VAL 13 3.655 -4.572 2.648 101 HG23 VAL 13 HG23 VAL 13 2.930 -4.205 4.212 102 H TRP 14 HN TRP 14 3.948 -0.808 0.325 103 HA TRP 14 HA TRP 14 2.643 1.635 0.857 104 HB2 TRP 14 HB2 TRP 14 4.847 1.398 -0.201 105 HB3 TRP 14 HB1 TRP 14 4.108 0.721 -1.636 106 HD1 TRP 14 HD1 TRP 14 4.297 2.490 -3.440 107 HE1 TRP 14 HE1 TRP 14 3.733 4.995 -3.635 108 HE3 TRP 14 HE3 TRP 14 2.970 3.483 1.396 109 HZ2 TRP 14 HZ2 TRP 14 2.841 7.140 -1.966 110 HZ3 TRP 14 HZ3 TRP 14 2.271 5.761 2.059 111 HH2 TRP 14 HH2 TRP 14 2.204 7.589 0.391 112 HA PRO 15 HA PRO 15 -0.075 1.103 -3.068 113 HB2 PRO 15 HB2 PRO 15 -0.264 -1.376 -4.210 114 HB3 PRO 15 HB1 PRO 15 0.942 -0.168 -4.701 115 HG2 PRO 15 HG2 PRO 15 1.258 -2.533 -2.928 116 HG3 PRO 15 HG1 PRO 15 2.366 -1.875 -4.144 117 HD2 PRO 15 HD2 PRO 15 2.675 -1.473 -1.483 118 HD3 PRO 15 HD1 PRO 15 3.237 -0.315 -2.703 119 H LEU 16 HN LEU 16 0.104 -1.783 -0.954 120 HA LEU 16 HA LEU 16 -2.723 -2.349 -0.954 121 HB2 LEU 16 HB2 LEU 16 -0.281 -3.183 0.472 122 HB3 LEU 16 HB1 LEU 16 -1.732 -3.255 1.470 123 HG LEU 16 HG LEU 16 -2.826 -4.473 -0.526 124 HD11 LEU 16 HD11 LEU 16 -0.699 -3.804 -1.948 125 HD12 LEU 16 HD12 LEU 16 -1.488 -5.357 -2.210 126 HD13 LEU 16 HD13 LEU 16 -0.022 -5.269 -1.237 127 HD21 LEU 16 HD21 LEU 16 -2.029 -5.499 1.665 128 HD22 LEU 16 HD22 LEU 16 -0.533 -5.919 0.831 129 HD23 LEU 16 HD23 LEU 16 -2.065 -6.604 0.290 130 H LEU 17 HN LEU 17 -0.647 -0.398 1.150 131 HA LEU 17 HA LEU 17 -2.712 0.425 2.996 132 HB2 LEU 17 HB2 LEU 17 -0.209 0.557 3.346 133 HB3 LEU 17 HB1 LEU 17 -0.165 1.865 2.166 134 HG LEU 17 HG LEU 17 -2.204 2.351 4.187 135 HD11 LEU 17 HD11 LEU 17 0.606 2.414 5.269 136 HD12 LEU 17 HD12 LEU 17 -0.380 0.961 5.434 137 HD13 LEU 17 HD13 LEU 17 -0.921 2.481 6.147 138 HD21 LEU 17 HD21 LEU 17 -0.983 4.500 4.339 139 HD22 LEU 17 HD22 LEU 17 -1.266 4.048 2.659 140 HD23 LEU 17 HD23 LEU 17 0.330 3.821 3.377 141 H LEU 18 HN LEU 18 -1.415 1.743 -0.016 142 HA LEU 18 HA LEU 18 -2.984 4.161 -0.110 143 HB2 LEU 18 HB2 LEU 18 -1.137 2.649 -1.760 144 HB3 LEU 18 HB1 LEU 18 -2.505 3.160 -2.741 145 HG LEU 18 HG LEU 18 -2.179 5.493 -1.788 146 HD11 LEU 18 HD11 LEU 18 -0.216 6.034 -0.599 147 HD12 LEU 18 HD12 LEU 18 0.581 4.526 -1.048 148 HD13 LEU 18 HD13 LEU 18 -0.726 4.514 0.135 149 HD21 LEU 18 HD21 LEU 18 -0.212 5.959 -3.259 150 HD22 LEU 18 HD22 LEU 18 -1.409 4.926 -4.039 151 HD23 LEU 18 HD23 LEU 18 0.071 4.222 -3.384 152 H LEU 19 HN LEU 19 -3.499 0.817 -1.231 153 HA LEU 19 HA LEU 19 -6.037 1.221 -2.525 154 HB2 LEU 19 HB2 LEU 19 -4.192 -0.887 -1.952 155 HB3 LEU 19 HB1 LEU 19 -5.769 -1.408 -1.385 156 HG LEU 19 HG LEU 19 -5.510 -2.097 -3.692 157 HD11 LEU 19 HD11 LEU 19 -7.265 0.288 -4.055 158 HD12 LEU 19 HD12 LEU 19 -7.689 -0.844 -2.772 159 HD13 LEU 19 HD13 LEU 19 -7.572 -1.406 -4.440 160 HD21 LEU 19 HD21 LEU 19 -5.159 0.814 -4.447 161 HD22 LEU 19 HD22 LEU 19 -4.943 -0.604 -5.470 162 HD23 LEU 19 HD23 LEU 19 -3.790 -0.266 -4.182 163 H LEU 20 HN LEU 20 -5.050 0.478 0.768 164 HA LEU 20 HA LEU 20 -7.721 0.006 1.829 165 HB2 LEU 20 HB2 LEU 20 -4.988 -0.160 2.656 166 HB3 LEU 20 HB1 LEU 20 -5.811 0.877 3.811 167 HG LEU 20 HG LEU 20 -5.922 -1.468 4.523 168 HD11 LEU 20 HD11 LEU 20 -8.719 -1.033 3.615 169 HD12 LEU 20 HD12 LEU 20 -7.986 0.271 4.549 170 HD13 LEU 20 HD13 LEU 20 -8.092 -1.351 5.232 171 HD21 LEU 20 HD21 LEU 20 -7.702 -2.172 2.222 172 HD22 LEU 20 HD22 LEU 20 -6.644 -3.207 3.182 173 HD23 LEU 20 HD23 LEU 20 -5.960 -2.157 1.942 174 H LEU 21 HN LEU 21 -5.482 2.796 1.738 175 HA LEU 21 HA LEU 21 -6.996 4.634 3.299 176 HB2 LEU 21 HB2 LEU 21 -4.619 4.848 2.477 177 HB3 LEU 21 HB1 LEU 21 -5.263 5.205 0.877 178 HG LEU 21 HG LEU 21 -6.468 6.835 3.013 179 HD11 LEU 21 HD11 LEU 21 -3.572 7.346 2.292 180 HD12 LEU 21 HD12 LEU 21 -4.066 6.556 3.789 181 HD13 LEU 21 HD13 LEU 21 -4.560 8.217 3.465 182 HD21 LEU 21 HD21 LEU 21 -6.559 7.038 0.414 183 HD22 LEU 21 HD22 LEU 21 -4.968 7.784 0.572 184 HD23 LEU 21 HD23 LEU 21 -6.366 8.513 1.361 185 H ALA 22 HN ALA 22 -7.059 3.933 -0.166 186 HA ALA 22 HA ALA 22 -9.613 5.487 -0.441 187 HB1 ALA 22 HB1 ALA 22 -7.819 4.664 -2.718 188 HB2 ALA 22 HB2 ALA 22 -7.349 6.022 -1.697 189 HB3 ALA 22 HB3 ALA 22 -8.870 6.075 -2.590 190 H LEU 23 HN LEU 23 -9.716 2.879 0.624 191 HA LEU 23 HA LEU 23 -10.055 0.835 -1.360 192 HB2 LEU 23 HB2 LEU 23 -10.581 -0.525 0.472 193 HB3 LEU 23 HB1 LEU 23 -9.568 0.718 1.183 194 HG LEU 23 HG LEU 23 -12.050 1.854 1.451 195 HD11 LEU 23 HD11 LEU 23 -13.005 -0.354 0.575 196 HD12 LEU 23 HD12 LEU 23 -13.639 0.199 2.126 197 HD13 LEU 23 HD13 LEU 23 -12.429 -1.084 2.074 198 HD21 LEU 23 HD21 LEU 23 -11.892 0.715 3.825 199 HD22 LEU 23 HD22 LEU 23 -10.655 1.868 3.324 200 HD23 LEU 23 HD23 LEU 23 -10.338 0.136 3.226 201 HA PRO 24 HA PRO 24 -14.169 1.780 -2.652 202 HB2 PRO 24 HB2 PRO 24 -14.589 -0.482 -4.121 203 HB3 PRO 24 HB1 PRO 24 -13.519 0.833 -4.640 204 HG2 PRO 24 HG2 PRO 24 -12.843 -1.840 -3.683 205 HG3 PRO 24 HG1 PRO 24 -11.882 -0.701 -4.633 206 HD2 PRO 24 HD2 PRO 24 -11.698 -1.256 -1.837 207 HD3 PRO 24 HD1 PRO 24 -10.738 -0.100 -2.785 208 HA PRO 25 HA PRO 25 -16.620 -0.348 0.429 209 HB2 PRO 25 HB2 PRO 25 -19.054 0.694 -0.241 210 HB3 PRO 25 HB1 PRO 25 -17.819 1.606 0.654 211 HG2 PRO 25 HG2 PRO 25 -18.514 1.714 -2.238 212 HG3 PRO 25 HG1 PRO 25 -18.106 3.030 -1.122 213 HD2 PRO 25 HD2 PRO 25 -16.341 2.015 -2.904 214 HD3 PRO 25 HD1 PRO 25 -15.851 2.702 -1.338 215 H ARG 26 HN ARG 26 -18.570 -1.829 0.441 216 HA ARG 26 HA ARG 26 -18.491 -3.647 -1.874 217 HB2 ARG 26 HB2 ARG 26 -19.730 -3.673 0.875 218 HB3 ARG 26 HB1 ARG 26 -20.067 -4.945 -0.297 219 HG2 ARG 26 HG2 ARG 26 -17.261 -4.136 0.512 220 HG3 ARG 26 HG1 ARG 26 -18.154 -5.439 1.292 221 HD2 ARG 26 HD2 ARG 26 -17.770 -6.874 -0.428 222 HD3 ARG 26 HD1 ARG 26 -18.173 -5.652 -1.645 223 HE ARG 26 HE ARG 26 -15.509 -6.325 -0.839 224 HH11 ARG 26 HH21 ARG 26 -16.741 -4.537 -3.156 225 HH12 ARG 26 HH22 ARG 26 -15.820 -3.093 -2.910 226 HH21 ARG 26 HH11 ARG 26 -14.653 -4.065 0.229 227 HH22 ARG 26 HH12 ARG 26 -14.627 -2.819 -0.976 228 H ALA 27 HN ALA 27 -20.445 -0.965 -1.034 229 HA ALA 27 HA ALA 27 -22.472 -0.136 -1.848 230 HB1 ALA 27 HB1 ALA 27 -21.999 -2.161 -4.053 231 HB2 ALA 27 HB2 ALA 27 -21.118 -0.638 -3.931 232 HB3 ALA 27 HB3 ALA 27 -22.865 -0.630 -4.172 233 H TYR 28 HN TYR 28 -23.234 -1.511 0.140 234 HA TYR 28 HA TYR 28 -24.719 -3.954 -0.398 235 HB2 TYR 28 HB2 TYR 28 -25.252 -3.860 1.938 236 HB3 TYR 28 HB1 TYR 28 -23.602 -3.282 1.767 237 HD1 TYR 28 HD1 TYR 28 -27.098 -2.319 2.464 238 HD2 TYR 28 HD2 TYR 28 -23.038 -0.942 2.194 239 HE1 TYR 28 HE1 TYR 28 -27.732 -0.216 3.609 240 HE2 TYR 28 HE2 TYR 28 -23.674 1.160 3.336 241 HH TYR 28 HH TYR 28 -26.080 2.492 3.546 242 H ALA 29 HN ALA 29 -25.554 -0.532 -0.473 243 HA ALA 29 HA ALA 29 -28.389 -1.292 -1.091 244 HB1 ALA 29 HB1 ALA 29 -28.319 -0.322 1.109 245 HB2 ALA 29 HB2 ALA 29 -28.939 0.922 0.024 246 HB3 ALA 29 HB3 ALA 29 -27.261 0.980 0.564 Start of MODEL 21 1 H1 ARG 1 HT1 ARG 1 13.997 -7.011 -6.663 2 H2 ARG 1 HT2 ARG 1 14.156 -7.495 -8.280 3 H3 ARG 1 HT3 ARG 1 14.347 -5.860 -7.857 4 HA ARG 1 HA ARG 1 16.124 -7.909 -6.665 5 HB2 ARG 1 HB2 ARG 1 16.001 -6.874 -9.467 6 HB3 ARG 1 HB1 ARG 1 17.594 -7.097 -8.744 7 HG2 ARG 1 HG2 ARG 1 17.339 -9.395 -8.534 8 HG3 ARG 1 HG1 ARG 1 15.579 -9.304 -8.485 9 HD2 ARG 1 HD2 ARG 1 15.389 -9.101 -10.814 10 HD3 ARG 1 HD1 ARG 1 17.053 -8.509 -10.995 11 HE ARG 1 HE ARG 1 17.869 -10.764 -10.626 12 HH11 ARG 1 HH21 ARG 1 15.923 -11.916 -8.775 13 HH12 ARG 1 HH22 ARG 1 14.968 -12.955 -9.776 14 HH21 ARG 1 HH11 ARG 1 16.004 -11.464 -12.752 15 HH22 ARG 1 HH12 ARG 1 15.015 -12.697 -12.048 16 H LEU 2 HN LEU 2 15.153 -5.539 -5.450 17 HA LEU 2 HA LEU 2 17.647 -3.903 -5.322 18 HB2 LEU 2 HB2 LEU 2 16.015 -2.868 -6.891 19 HB3 LEU 2 HB1 LEU 2 14.818 -2.833 -5.599 20 HG LEU 2 HG LEU 2 17.383 -1.629 -4.820 21 HD11 LEU 2 HD11 LEU 2 15.735 -0.102 -6.838 22 HD12 LEU 2 HD12 LEU 2 17.129 -1.067 -7.326 23 HD13 LEU 2 HD13 LEU 2 17.339 0.285 -6.214 24 HD21 LEU 2 HD21 LEU 2 15.432 -1.354 -3.432 25 HD22 LEU 2 HD22 LEU 2 14.467 -0.796 -4.798 26 HD23 LEU 2 HD23 LEU 2 15.761 0.217 -4.160 27 H VAL 3 HN VAL 3 18.221 -4.374 -3.224 28 HA VAL 3 HA VAL 3 18.139 -4.583 -0.893 29 HB VAL 3 HB VAL 3 15.978 -2.513 -1.270 30 HG11 VAL 3 HG11 VAL 3 17.991 -2.638 0.970 31 HG12 VAL 3 HG12 VAL 3 16.484 -3.548 1.062 32 HG13 VAL 3 HG13 VAL 3 16.446 -1.791 0.930 33 HG21 VAL 3 HG21 VAL 3 17.962 -0.906 -0.989 34 HG22 VAL 3 HG22 VAL 3 17.846 -1.737 -2.539 35 HG23 VAL 3 HG23 VAL 3 18.993 -2.298 -1.322 36 HA PRO 4 HA PRO 4 14.359 -7.300 -1.169 37 HB2 PRO 4 HB2 PRO 4 15.699 -9.648 -0.757 38 HB3 PRO 4 HB1 PRO 4 15.456 -8.934 -2.365 39 HG2 PRO 4 HG2 PRO 4 17.859 -8.878 -0.620 40 HG3 PRO 4 HG1 PRO 4 17.743 -9.036 -2.381 41 HD2 PRO 4 HD2 PRO 4 18.394 -6.708 -1.119 42 HD3 PRO 4 HD1 PRO 4 17.602 -6.764 -2.705 43 H GLY 5 HN GLY 5 13.224 -7.457 0.687 44 HA2 GLY 5 HA2 GLY 5 12.964 -8.406 2.946 45 HA3 GLY 5 HA1 GLY 5 14.651 -7.990 3.255 46 H ALA 6 HN ALA 6 14.892 -5.421 2.444 47 HA ALA 6 HA ALA 6 13.186 -3.964 4.384 48 HB1 ALA 6 HB1 ALA 6 15.505 -2.880 2.798 49 HB2 ALA 6 HB2 ALA 6 15.762 -3.913 4.204 50 HB3 ALA 6 HB3 ALA 6 14.929 -2.369 4.383 51 H ALA 7 HN ALA 7 14.220 -3.617 0.992 52 HA ALA 7 HA ALA 7 12.184 -1.529 0.499 53 HB1 ALA 7 HB1 ALA 7 13.331 -1.310 -1.618 54 HB2 ALA 7 HB2 ALA 7 14.124 -2.868 -1.398 55 HB3 ALA 7 HB3 ALA 7 14.554 -1.508 -0.361 56 H TYR 8 HN TYR 8 11.670 -4.685 0.841 57 HA TYR 8 HA TYR 8 10.077 -5.062 -1.657 58 HB2 TYR 8 HB2 TYR 8 11.407 -6.833 0.364 59 HB3 TYR 8 HB1 TYR 8 10.002 -7.457 -0.490 60 HD1 TYR 8 HD2 TYR 8 12.690 -5.151 -1.758 61 HD2 TYR 8 HD1 TYR 8 10.875 -9.038 -1.985 62 HE1 TYR 8 HE2 TYR 8 14.094 -5.692 -3.717 63 HE2 TYR 8 HE1 TYR 8 12.286 -9.578 -3.948 64 HH TYR 8 HH TYR 8 14.687 -8.659 -4.793 65 H ALA 9 HN ALA 9 9.876 -5.548 1.854 66 HA ALA 9 HA ALA 9 7.022 -5.908 1.969 67 HB1 ALA 9 HB1 ALA 9 7.411 -5.487 4.416 68 HB2 ALA 9 HB2 ALA 9 9.070 -5.029 4.027 69 HB3 ALA 9 HB3 ALA 9 8.519 -6.680 3.737 70 H LEU 10 HN LEU 10 9.122 -3.090 2.332 71 HA LEU 10 HA LEU 10 7.189 -1.135 3.125 72 HB2 LEU 10 HB2 LEU 10 9.887 -1.217 2.693 73 HB3 LEU 10 HB1 LEU 10 9.370 -0.332 1.263 74 HG LEU 10 HG LEU 10 8.328 0.458 3.974 75 HD11 LEU 10 HD11 LEU 10 10.670 0.525 4.378 76 HD12 LEU 10 HD12 LEU 10 10.238 2.174 3.928 77 HD13 LEU 10 HD13 LEU 10 11.013 1.114 2.751 78 HD21 LEU 10 HD21 LEU 10 8.930 2.023 1.440 79 HD22 LEU 10 HD22 LEU 10 8.107 2.635 2.873 80 HD23 LEU 10 HD23 LEU 10 7.339 1.398 1.878 81 H TYR 11 HN TYR 11 8.468 -1.909 -0.124 82 HA TYR 11 HA TYR 11 6.651 -0.232 -1.594 83 HB2 TYR 11 HB2 TYR 11 8.592 -2.432 -2.141 84 HB3 TYR 11 HB1 TYR 11 7.435 -2.047 -3.411 85 HD1 TYR 11 HD2 TYR 11 7.446 0.140 -4.518 86 HD2 TYR 11 HD1 TYR 11 10.280 -0.806 -1.431 87 HE1 TYR 11 HE2 TYR 11 8.810 2.106 -5.165 88 HE2 TYR 11 HE1 TYR 11 11.643 1.159 -2.080 89 HH TYR 11 HH TYR 11 11.874 2.531 -4.457 90 H GLY 12 HN GLY 12 6.368 -3.468 -0.309 91 HA2 GLY 12 HA2 GLY 12 4.213 -4.419 -1.944 92 HA3 GLY 12 HA1 GLY 12 4.644 -5.047 -0.354 93 H VAL 13 HN VAL 13 4.266 -2.645 1.166 94 HA VAL 13 HA VAL 13 1.326 -2.646 1.291 95 HB VAL 13 HB VAL 13 1.676 -1.377 3.380 96 HG11 VAL 13 HG11 VAL 13 1.823 -3.871 3.327 97 HG12 VAL 13 HG12 VAL 13 2.763 -3.141 4.627 98 HG13 VAL 13 HG13 VAL 13 3.575 -3.727 3.177 99 HG21 VAL 13 HG21 VAL 13 3.860 -0.289 2.373 100 HG22 VAL 13 HG22 VAL 13 4.651 -1.703 3.071 101 HG23 VAL 13 HG23 VAL 13 3.751 -0.595 4.107 102 H TRP 14 HN TRP 14 3.617 -0.715 -0.309 103 HA TRP 14 HA TRP 14 2.559 1.905 -0.021 104 HB2 TRP 14 HB2 TRP 14 4.692 0.915 -1.217 105 HB3 TRP 14 HB1 TRP 14 3.655 0.897 -2.630 106 HD1 TRP 14 HD1 TRP 14 5.851 2.673 -3.158 107 HE1 TRP 14 HE1 TRP 14 5.756 5.243 -3.116 108 HE3 TRP 14 HE3 TRP 14 1.740 3.389 -0.173 109 HZ2 TRP 14 HZ2 TRP 14 4.168 7.320 -1.985 110 HZ3 TRP 14 HZ3 TRP 14 0.975 5.672 0.358 111 HH2 TRP 14 HH2 TRP 14 2.178 7.641 -0.540 112 HA PRO 15 HA PRO 15 -0.300 1.040 -3.801 113 HB2 PRO 15 HB2 PRO 15 -0.703 -1.556 -4.565 114 HB3 PRO 15 HB1 PRO 15 0.572 -0.531 -5.256 115 HG2 PRO 15 HG2 PRO 15 0.770 -2.616 -3.141 116 HG3 PRO 15 HG1 PRO 15 1.870 -2.262 -4.486 117 HD2 PRO 15 HD2 PRO 15 2.365 -1.470 -1.958 118 HD3 PRO 15 HD1 PRO 15 2.902 -0.543 -3.375 119 H LEU 16 HN LEU 16 -0.186 -1.397 -1.202 120 HA LEU 16 HA LEU 16 -2.982 -1.985 -1.018 121 HB2 LEU 16 HB2 LEU 16 -0.623 -2.014 0.861 122 HB3 LEU 16 HB1 LEU 16 -2.231 -2.395 1.466 123 HG LEU 16 HG LEU 16 -1.083 -3.782 -0.961 124 HD11 LEU 16 HD11 LEU 16 -0.049 -3.963 1.662 125 HD12 LEU 16 HD12 LEU 16 0.275 -5.047 0.311 126 HD13 LEU 16 HD13 LEU 16 -1.038 -5.405 1.433 127 HD21 LEU 16 HD21 LEU 16 -2.754 -5.482 -0.373 128 HD22 LEU 16 HD22 LEU 16 -3.535 -3.909 -0.523 129 HD23 LEU 16 HD23 LEU 16 -3.195 -4.575 1.074 130 H LEU 17 HN LEU 17 -1.004 0.441 0.642 131 HA LEU 17 HA LEU 17 -3.099 1.698 2.149 132 HB2 LEU 17 HB2 LEU 17 -0.536 1.900 2.339 133 HB3 LEU 17 HB1 LEU 17 -0.631 3.026 0.987 134 HG LEU 17 HG LEU 17 -2.565 3.641 3.105 135 HD11 LEU 17 HD11 LEU 17 -0.693 2.707 4.476 136 HD12 LEU 17 HD12 LEU 17 -0.945 4.432 4.746 137 HD13 LEU 17 HD13 LEU 17 0.394 3.883 3.737 138 HD21 LEU 17 HD21 LEU 17 -1.897 5.860 2.629 139 HD22 LEU 17 HD22 LEU 17 -1.704 5.036 1.082 140 HD23 LEU 17 HD23 LEU 17 -0.295 5.358 2.091 141 H LEU 18 HN LEU 18 -1.783 2.278 -1.075 142 HA LEU 18 HA LEU 18 -3.378 4.568 -1.784 143 HB2 LEU 18 HB2 LEU 18 -1.524 2.661 -2.993 144 HB3 LEU 18 HB1 LEU 18 -2.836 3.040 -4.102 145 HG LEU 18 HG LEU 18 -2.403 5.482 -3.676 146 HD11 LEU 18 HD11 LEU 18 -1.134 4.840 -1.461 147 HD12 LEU 18 HD12 LEU 18 -0.581 6.216 -2.413 148 HD13 LEU 18 HD13 LEU 18 0.256 4.669 -2.533 149 HD21 LEU 18 HD21 LEU 18 -1.483 4.436 -5.672 150 HD22 LEU 18 HD22 LEU 18 -0.127 3.786 -4.750 151 HD23 LEU 18 HD23 LEU 18 -0.269 5.525 -5.002 152 H LEU 19 HN LEU 19 -3.832 1.048 -2.109 153 HA LEU 19 HA LEU 19 -6.372 1.121 -3.476 154 HB2 LEU 19 HB2 LEU 19 -4.477 -0.779 -2.420 155 HB3 LEU 19 HB1 LEU 19 -6.088 -1.237 -1.885 156 HG LEU 19 HG LEU 19 -6.746 -0.773 -4.392 157 HD11 LEU 19 HD11 LEU 19 -4.367 0.113 -4.818 158 HD12 LEU 19 HD12 LEU 19 -5.005 -1.042 -5.987 159 HD13 LEU 19 HD13 LEU 19 -3.854 -1.573 -4.760 160 HD21 LEU 19 HD21 LEU 19 -7.055 -2.974 -3.701 161 HD22 LEU 19 HD22 LEU 19 -5.380 -3.153 -3.173 162 HD23 LEU 19 HD23 LEU 19 -5.772 -3.191 -4.891 163 H LEU 20 HN LEU 20 -5.374 1.162 -0.112 164 HA LEU 20 HA LEU 20 -8.016 0.819 1.061 165 HB2 LEU 20 HB2 LEU 20 -5.238 1.112 1.859 166 HB3 LEU 20 HB1 LEU 20 -6.254 2.147 2.850 167 HG LEU 20 HG LEU 20 -6.038 -0.047 3.894 168 HD11 LEU 20 HD11 LEU 20 -8.333 1.269 3.689 169 HD12 LEU 20 HD12 LEU 20 -8.266 -0.326 4.440 170 HD13 LEU 20 HD13 LEU 20 -8.810 -0.160 2.771 171 HD21 LEU 20 HD21 LEU 20 -5.559 -1.560 2.165 172 HD22 LEU 20 HD22 LEU 20 -6.901 -1.000 1.168 173 HD23 LEU 20 HD23 LEU 20 -7.214 -1.987 2.595 174 H LEU 21 HN LEU 21 -5.975 3.617 0.168 175 HA LEU 21 HA LEU 21 -7.438 5.717 1.382 176 HB2 LEU 21 HB2 LEU 21 -5.205 5.709 0.089 177 HB3 LEU 21 HB1 LEU 21 -6.188 5.836 -1.368 178 HG LEU 21 HG LEU 21 -7.327 7.813 0.039 179 HD11 LEU 21 HD11 LEU 21 -5.962 7.520 2.032 180 HD12 LEU 21 HD12 LEU 21 -5.520 9.044 1.260 181 HD13 LEU 21 HD13 LEU 21 -4.483 7.629 1.076 182 HD21 LEU 21 HD21 LEU 21 -5.903 9.361 -1.193 183 HD22 LEU 21 HD22 LEU 21 -6.204 7.948 -2.202 184 HD23 LEU 21 HD23 LEU 21 -4.658 8.127 -1.374 185 H ALA 22 HN ALA 22 -7.872 4.173 -1.763 186 HA ALA 22 HA ALA 22 -10.617 5.372 -1.983 187 HB1 ALA 22 HB1 ALA 22 -8.658 5.997 -3.608 188 HB2 ALA 22 HB2 ALA 22 -10.222 5.581 -4.309 189 HB3 ALA 22 HB3 ALA 22 -8.923 4.390 -4.285 190 H LEU 23 HN LEU 23 -10.314 3.084 -0.465 191 HA LEU 23 HA LEU 23 -10.430 0.619 -1.917 192 HB2 LEU 23 HB2 LEU 23 -10.944 -0.344 0.222 193 HB3 LEU 23 HB1 LEU 23 -9.813 0.970 0.485 194 HG LEU 23 HG LEU 23 -12.245 2.258 0.707 195 HD11 LEU 23 HD11 LEU 23 -13.646 0.360 0.739 196 HD12 LEU 23 HD12 LEU 23 -13.394 0.710 2.449 197 HD13 LEU 23 HD13 LEU 23 -12.490 -0.590 1.672 198 HD21 LEU 23 HD21 LEU 23 -10.019 1.518 2.343 199 HD22 LEU 23 HD22 LEU 23 -11.490 1.288 3.287 200 HD23 LEU 23 HD23 LEU 23 -11.139 2.860 2.566 201 HA PRO 24 HA PRO 24 -14.598 0.907 -3.296 202 HB2 PRO 24 HB2 PRO 24 -14.584 -1.424 -4.739 203 HB3 PRO 24 HB1 PRO 24 -13.878 0.110 -5.272 204 HG2 PRO 24 HG2 PRO 24 -12.541 -2.334 -4.410 205 HG3 PRO 24 HG1 PRO 24 -11.913 -0.960 -5.319 206 HD2 PRO 24 HD2 PRO 24 -11.551 -1.538 -2.537 207 HD3 PRO 24 HD1 PRO 24 -10.897 -0.180 -3.468 208 HA PRO 25 HA PRO 25 -16.811 -2.754 -1.372 209 HB2 PRO 25 HB2 PRO 25 -15.531 -4.996 -0.498 210 HB3 PRO 25 HB1 PRO 25 -16.106 -4.798 -2.165 211 HG2 PRO 25 HG2 PRO 25 -13.367 -4.542 -1.073 212 HG3 PRO 25 HG1 PRO 25 -13.910 -5.175 -2.633 213 HD2 PRO 25 HD2 PRO 25 -12.831 -2.691 -2.271 214 HD3 PRO 25 HD1 PRO 25 -13.909 -3.136 -3.609 215 H ARG 26 HN ARG 26 -17.143 -3.632 0.931 216 HA ARG 26 HA ARG 26 -16.034 -1.771 2.872 217 HB2 ARG 26 HB2 ARG 26 -18.347 -2.627 2.908 218 HB3 ARG 26 HB1 ARG 26 -17.744 -4.259 3.180 219 HG2 ARG 26 HG2 ARG 26 -17.404 -3.887 5.386 220 HG3 ARG 26 HG1 ARG 26 -16.667 -2.314 5.094 221 HD2 ARG 26 HD2 ARG 26 -18.977 -1.367 4.728 222 HD3 ARG 26 HD1 ARG 26 -19.638 -2.933 5.247 223 HE ARG 26 HE ARG 26 -18.520 -2.613 7.426 224 HH11 ARG 26 HH11 ARG 26 -16.497 -0.566 6.456 225 HH12 ARG 26 HH12 ARG 26 -17.113 0.892 7.159 226 HH21 ARG 26 HH21 ARG 26 -20.254 -0.460 7.831 227 HH22 ARG 26 HH22 ARG 26 -19.260 0.952 7.945 228 H ALA 27 HN ALA 27 -15.071 -4.966 1.797 229 HA ALA 27 HA ALA 27 -13.336 -6.384 2.451 230 HB1 ALA 27 HB1 ALA 27 -11.407 -5.305 3.383 231 HB2 ALA 27 HB2 ALA 27 -12.385 -4.043 4.127 232 HB3 ALA 27 HB3 ALA 27 -12.193 -4.089 2.375 233 H TYR 28 HN TYR 28 -15.080 -7.538 3.610 234 HA TYR 28 HA TYR 28 -15.442 -7.132 6.494 235 HB2 TYR 28 HB2 TYR 28 -16.306 -9.285 4.541 236 HB3 TYR 28 HB1 TYR 28 -16.816 -9.226 6.225 237 HD1 TYR 28 HD1 TYR 28 -18.017 -7.083 7.044 238 HD2 TYR 28 HD2 TYR 28 -17.443 -8.047 2.897 239 HE1 TYR 28 HE1 TYR 28 -19.835 -5.513 6.426 240 HE2 TYR 28 HE2 TYR 28 -19.259 -6.477 2.280 241 HH TYR 28 HH TYR 28 -21.445 -5.541 3.716 242 H ALA 29 HN ALA 29 -13.794 -9.548 4.428 243 HA ALA 29 HA ALA 29 -12.418 -10.627 6.868 244 HB1 ALA 29 HB1 ALA 29 -12.190 -12.677 5.331 245 HB2 ALA 29 HB2 ALA 29 -13.342 -11.868 4.269 246 HB3 ALA 29 HB3 ALA 29 -13.813 -12.305 5.912 Start of MODEL 22 1 H1 ARG 1 HT1 ARG 1 23.555 2.748 -3.701 2 H2 ARG 1 HT2 ARG 1 23.632 1.156 -4.291 3 H3 ARG 1 HT3 ARG 1 23.837 1.463 -2.634 4 HA ARG 1 HA ARG 1 21.528 2.245 -2.480 5 HB2 ARG 1 HB2 ARG 1 21.700 2.925 -4.961 6 HB3 ARG 1 HB1 ARG 1 21.310 1.244 -5.323 7 HG2 ARG 1 HG2 ARG 1 19.172 2.110 -5.288 8 HG3 ARG 1 HG1 ARG 1 19.339 1.710 -3.581 9 HD2 ARG 1 HD2 ARG 1 18.616 3.922 -3.422 10 HD3 ARG 1 HD1 ARG 1 20.371 4.179 -3.467 11 HE ARG 1 HE ARG 1 20.186 4.700 -5.858 12 HH11 ARG 1 HH11 ARG 1 18.203 6.560 -4.533 13 HH12 ARG 1 HH12 ARG 1 16.805 6.357 -5.533 14 HH21 ARG 1 HH21 ARG 1 17.965 3.420 -7.004 15 HH22 ARG 1 HH22 ARG 1 16.669 4.564 -6.943 16 H LEU 2 HN LEU 2 22.203 0.370 -1.100 17 HA LEU 2 HA LEU 2 21.045 -2.217 -2.094 18 HB2 LEU 2 HB2 LEU 2 23.691 -1.630 -1.415 19 HB3 LEU 2 HB1 LEU 2 23.054 -2.440 0.016 20 HG LEU 2 HG LEU 2 22.035 -4.079 -1.847 21 HD11 LEU 2 HD11 LEU 2 22.957 -2.815 -3.739 22 HD12 LEU 2 HD12 LEU 2 23.712 -4.406 -3.643 23 HD13 LEU 2 HD13 LEU 2 24.584 -2.982 -3.077 24 HD21 LEU 2 HD21 LEU 2 23.989 -5.536 -1.452 25 HD22 LEU 2 HD22 LEU 2 23.511 -4.717 0.035 26 HD23 LEU 2 HD23 LEU 2 24.911 -4.148 -0.872 27 H VAL 3 HN VAL 3 19.424 -3.009 -0.811 28 HA VAL 3 HA VAL 3 19.241 -2.091 2.028 29 HB VAL 3 HB VAL 3 16.756 -1.881 1.644 30 HG11 VAL 3 HG11 VAL 3 16.901 0.318 0.645 31 HG12 VAL 3 HG12 VAL 3 18.441 -0.083 -0.114 32 HG13 VAL 3 HG13 VAL 3 18.334 0.061 1.640 33 HG21 VAL 3 HG21 VAL 3 17.514 -1.925 -1.296 34 HG22 VAL 3 HG22 VAL 3 15.899 -1.742 -0.616 35 HG23 VAL 3 HG23 VAL 3 16.746 -3.281 -0.469 36 HA PRO 4 HA PRO 4 18.452 -6.358 2.828 37 HB2 PRO 4 HB2 PRO 4 17.106 -6.178 5.200 38 HB3 PRO 4 HB1 PRO 4 18.845 -5.868 5.047 39 HG2 PRO 4 HG2 PRO 4 16.605 -3.951 5.301 40 HG3 PRO 4 HG1 PRO 4 18.260 -3.852 5.921 41 HD2 PRO 4 HD2 PRO 4 17.329 -2.527 3.695 42 HD3 PRO 4 HD1 PRO 4 19.037 -2.877 4.034 43 H GLY 5 HN GLY 5 16.243 -7.581 3.986 44 HA2 GLY 5 HA2 GLY 5 14.321 -7.697 1.891 45 HA3 GLY 5 HA1 GLY 5 14.105 -8.382 3.496 46 H ALA 6 HN ALA 6 14.559 -5.456 4.531 47 HA ALA 6 HA ALA 6 11.914 -4.731 5.098 48 HB1 ALA 6 HB1 ALA 6 14.431 -3.077 4.842 49 HB2 ALA 6 HB2 ALA 6 13.834 -3.879 6.296 50 HB3 ALA 6 HB3 ALA 6 12.954 -2.509 5.620 51 H ALA 7 HN ALA 7 13.749 -4.019 2.186 52 HA ALA 7 HA ALA 7 12.198 -1.834 1.176 53 HB1 ALA 7 HB1 ALA 7 14.465 -2.903 0.426 54 HB2 ALA 7 HB2 ALA 7 13.414 -2.198 -0.800 55 HB3 ALA 7 HB3 ALA 7 13.445 -3.946 -0.566 56 H TYR 8 HN TYR 8 11.810 -5.337 0.800 57 HA TYR 8 HA TYR 8 9.582 -5.275 -1.018 58 HB2 TYR 8 HB2 TYR 8 10.536 -7.294 1.037 59 HB3 TYR 8 HB1 TYR 8 9.221 -7.623 -0.086 60 HD1 TYR 8 HD2 TYR 8 9.660 -7.628 -2.559 61 HD2 TYR 8 HD1 TYR 8 12.829 -7.342 0.328 62 HE1 TYR 8 HE2 TYR 8 11.307 -8.261 -4.302 63 HE2 TYR 8 HE1 TYR 8 14.472 -7.975 -1.413 64 HH TYR 8 HH TYR 8 14.092 -7.740 -4.479 65 H ALA 9 HN ALA 9 9.836 -5.105 2.483 66 HA ALA 9 HA ALA 9 6.987 -5.316 3.033 67 HB1 ALA 9 HB1 ALA 9 8.764 -5.928 4.635 68 HB2 ALA 9 HB2 ALA 9 7.711 -4.685 5.311 69 HB3 ALA 9 HB3 ALA 9 9.298 -4.247 4.680 70 H LEU 10 HN LEU 10 8.899 -2.792 1.768 71 HA LEU 10 HA LEU 10 7.016 -0.655 2.688 72 HB2 LEU 10 HB2 LEU 10 9.732 -0.803 2.830 73 HB3 LEU 10 HB1 LEU 10 9.561 -0.058 1.249 74 HG LEU 10 HG LEU 10 9.765 1.665 2.970 75 HD11 LEU 10 HD11 LEU 10 6.889 1.562 2.027 76 HD12 LEU 10 HD12 LEU 10 8.243 2.020 0.993 77 HD13 LEU 10 HD13 LEU 10 7.840 2.998 2.404 78 HD21 LEU 10 HD21 LEU 10 7.219 0.516 4.159 79 HD22 LEU 10 HD22 LEU 10 8.138 1.893 4.763 80 HD23 LEU 10 HD23 LEU 10 8.830 0.274 4.835 81 H TYR 11 HN TYR 11 8.940 -1.608 -0.170 82 HA TYR 11 HA TYR 11 7.389 -0.127 -2.101 83 HB2 TYR 11 HB2 TYR 11 9.432 -2.342 -2.164 84 HB3 TYR 11 HB1 TYR 11 8.677 -1.785 -3.650 85 HD1 TYR 11 HD2 TYR 11 9.013 0.556 -4.436 86 HD2 TYR 11 HD1 TYR 11 11.011 -0.971 -0.952 87 HE1 TYR 11 HE2 TYR 11 10.593 2.467 -4.501 88 HE2 TYR 11 HE1 TYR 11 12.588 0.936 -1.019 89 HH TYR 11 HH TYR 11 12.261 3.552 -2.179 90 H GLY 12 HN GLY 12 7.206 -3.395 -0.820 91 HA2 GLY 12 HA2 GLY 12 5.401 -4.484 -2.775 92 HA3 GLY 12 HA1 GLY 12 5.700 -5.151 -1.173 93 H VAL 13 HN VAL 13 4.869 -2.597 0.184 94 HA VAL 13 HA VAL 13 1.937 -3.058 -0.008 95 HB VAL 13 HB VAL 13 1.885 -1.891 2.169 96 HG11 VAL 13 HG11 VAL 13 4.042 -4.013 2.113 97 HG12 VAL 13 HG12 VAL 13 2.315 -4.357 1.989 98 HG13 VAL 13 HG13 VAL 13 2.966 -3.621 3.454 99 HG21 VAL 13 HG21 VAL 13 3.863 -1.116 3.264 100 HG22 VAL 13 HG22 VAL 13 3.929 -0.438 1.638 101 HG23 VAL 13 HG23 VAL 13 4.911 -1.844 2.047 102 H TRP 14 HN TRP 14 3.881 -1.048 -1.654 103 HA TRP 14 HA TRP 14 2.834 1.571 -1.168 104 HB2 TRP 14 HB2 TRP 14 4.831 0.505 -2.684 105 HB3 TRP 14 HB1 TRP 14 3.647 0.901 -3.934 106 HD1 TRP 14 HD1 TRP 14 6.109 2.469 -1.590 107 HE1 TRP 14 HE1 TRP 14 6.028 5.038 -1.834 108 HE3 TRP 14 HE3 TRP 14 1.923 2.941 -4.456 109 HZ2 TRP 14 HZ2 TRP 14 4.374 7.028 -3.098 110 HZ3 TRP 14 HZ3 TRP 14 1.129 5.172 -5.157 111 HH2 TRP 14 HH2 TRP 14 2.342 7.211 -4.488 112 HA PRO 15 HA PRO 15 -0.337 0.689 -4.696 113 HB2 PRO 15 HB2 PRO 15 -0.919 -1.931 -5.243 114 HB3 PRO 15 HB1 PRO 15 0.330 -1.019 -6.117 115 HG2 PRO 15 HG2 PRO 15 0.636 -2.965 -3.884 116 HG3 PRO 15 HG1 PRO 15 1.614 -2.763 -5.349 117 HD2 PRO 15 HD2 PRO 15 2.398 -1.830 -2.951 118 HD3 PRO 15 HD1 PRO 15 2.824 -1.014 -4.472 119 H LEU 16 HN LEU 16 -0.017 -1.477 -1.910 120 HA LEU 16 HA LEU 16 -2.813 -1.917 -1.391 121 HB2 LEU 16 HB2 LEU 16 -0.204 -2.166 0.032 122 HB3 LEU 16 HB1 LEU 16 -1.633 -2.056 1.054 123 HG LEU 16 HG LEU 16 -2.617 -3.879 -0.538 124 HD11 LEU 16 HD11 LEU 16 0.366 -4.113 -1.039 125 HD12 LEU 16 HD12 LEU 16 -0.898 -3.851 -2.241 126 HD13 LEU 16 HD13 LEU 16 -0.794 -5.393 -1.395 127 HD21 LEU 16 HD21 LEU 16 -1.672 -4.015 1.929 128 HD22 LEU 16 HD22 LEU 16 -0.354 -4.896 1.158 129 HD23 LEU 16 HD23 LEU 16 -2.008 -5.494 1.030 130 H LEU 17 HN LEU 17 -0.500 0.544 -0.394 131 HA LEU 17 HA LEU 17 -2.155 2.089 1.377 132 HB2 LEU 17 HB2 LEU 17 0.374 2.170 0.980 133 HB3 LEU 17 HB1 LEU 17 0.037 3.010 -0.524 134 HG LEU 17 HG LEU 17 -0.750 4.006 2.237 135 HD11 LEU 17 HD11 LEU 17 1.379 5.069 0.363 136 HD12 LEU 17 HD12 LEU 17 1.735 3.930 1.661 137 HD13 LEU 17 HD13 LEU 17 1.095 5.529 2.041 138 HD21 LEU 17 HD21 LEU 17 -0.853 6.191 0.714 139 HD22 LEU 17 HD22 LEU 17 -2.242 5.111 0.819 140 HD23 LEU 17 HD23 LEU 17 -1.153 5.016 -0.567 141 H LEU 18 HN LEU 18 -1.429 2.359 -2.068 142 HA LEU 18 HA LEU 18 -3.178 4.532 -2.714 143 HB2 LEU 18 HB2 LEU 18 -1.473 2.560 -4.004 144 HB3 LEU 18 HB1 LEU 18 -2.943 2.786 -4.941 145 HG LEU 18 HG LEU 18 -2.572 5.201 -5.023 146 HD11 LEU 18 HD11 LEU 18 -0.296 6.027 -4.128 147 HD12 LEU 18 HD12 LEU 18 -0.266 4.544 -3.176 148 HD13 LEU 18 HD13 LEU 18 -1.556 5.722 -2.934 149 HD21 LEU 18 HD21 LEU 18 -0.073 3.610 -5.684 150 HD22 LEU 18 HD22 LEU 18 -0.440 5.217 -6.307 151 HD23 LEU 18 HD23 LEU 18 -1.462 3.848 -6.745 152 H LEU 19 HN LEU 19 -3.672 0.998 -2.595 153 HA LEU 19 HA LEU 19 -6.394 0.992 -3.564 154 HB2 LEU 19 HB2 LEU 19 -4.399 -0.850 -2.659 155 HB3 LEU 19 HB1 LEU 19 -5.857 -1.151 -1.722 156 HG LEU 19 HG LEU 19 -5.998 -0.832 -4.715 157 HD11 LEU 19 HD11 LEU 19 -4.306 -2.589 -4.164 158 HD12 LEU 19 HD12 LEU 19 -5.737 -3.236 -4.963 159 HD13 LEU 19 HD13 LEU 19 -5.538 -3.431 -3.222 160 HD21 LEU 19 HD21 LEU 19 -8.090 -1.897 -4.486 161 HD22 LEU 19 HD22 LEU 19 -8.015 -0.869 -3.055 162 HD23 LEU 19 HD23 LEU 19 -7.668 -2.595 -2.921 163 H LEU 20 HN LEU 20 -4.872 1.302 -0.410 164 HA LEU 20 HA LEU 20 -7.233 1.163 1.243 165 HB2 LEU 20 HB2 LEU 20 -4.378 1.604 1.453 166 HB3 LEU 20 HB1 LEU 20 -5.217 2.785 2.441 167 HG LEU 20 HG LEU 20 -4.733 0.789 3.756 168 HD11 LEU 20 HD11 LEU 20 -7.096 2.061 3.735 169 HD12 LEU 20 HD12 LEU 20 -6.770 0.693 4.799 170 HD13 LEU 20 HD13 LEU 20 -7.652 0.446 3.294 171 HD21 LEU 20 HD21 LEU 20 -6.037 -0.580 1.419 172 HD22 LEU 20 HD22 LEU 20 -6.143 -1.316 3.017 173 HD23 LEU 20 HD23 LEU 20 -4.566 -1.014 2.289 174 H LEU 21 HN LEU 21 -5.524 3.837 -0.389 175 HA LEU 21 HA LEU 21 -6.882 6.047 0.785 176 HB2 LEU 21 HB2 LEU 21 -4.815 5.931 -0.747 177 HB3 LEU 21 HB1 LEU 21 -5.957 5.858 -2.087 178 HG LEU 21 HG LEU 21 -7.009 7.966 -0.827 179 HD11 LEU 21 HD11 LEU 21 -5.509 8.015 1.053 180 HD12 LEU 21 HD12 LEU 21 -5.075 9.373 0.016 181 HD13 LEU 21 HD13 LEU 21 -4.096 7.906 0.005 182 HD21 LEU 21 HD21 LEU 21 -4.535 8.019 -2.590 183 HD22 LEU 21 HD22 LEU 21 -5.588 9.403 -2.300 184 HD23 LEU 21 HD23 LEU 21 -6.211 7.984 -3.140 185 H ALA 22 HN ALA 22 -7.648 4.128 -2.086 186 HA ALA 22 HA ALA 22 -10.414 5.300 -2.119 187 HB1 ALA 22 HB1 ALA 22 -8.635 5.619 -4.043 188 HB2 ALA 22 HB2 ALA 22 -10.304 5.234 -4.462 189 HB3 ALA 22 HB3 ALA 22 -9.080 3.965 -4.467 190 H LEU 23 HN LEU 23 -9.789 3.162 -0.378 191 HA LEU 23 HA LEU 23 -10.238 0.571 -1.517 192 HB2 LEU 23 HB2 LEU 23 -10.081 -0.162 0.701 193 HB3 LEU 23 HB1 LEU 23 -9.174 1.340 0.727 194 HG LEU 23 HG LEU 23 -11.674 2.267 1.313 195 HD11 LEU 23 HD11 LEU 23 -11.472 -0.318 2.861 196 HD12 LEU 23 HD12 LEU 23 -12.374 -0.230 1.349 197 HD13 LEU 23 HD13 LEU 23 -12.851 0.772 2.719 198 HD21 LEU 23 HD21 LEU 23 -10.855 2.005 3.768 199 HD22 LEU 23 HD22 LEU 23 -9.852 2.931 2.656 200 HD23 LEU 23 HD23 LEU 23 -9.422 1.269 3.053 201 HA PRO 24 HA PRO 24 -14.640 0.700 -1.846 202 HB2 PRO 24 HB2 PRO 24 -15.036 -1.950 -2.364 203 HB3 PRO 24 HB1 PRO 24 -14.336 -0.822 -3.541 204 HG2 PRO 24 HG2 PRO 24 -13.044 -2.950 -2.011 205 HG3 PRO 24 HG1 PRO 24 -12.529 -2.156 -3.504 206 HD2 PRO 24 HD2 PRO 24 -11.586 -1.689 -0.852 207 HD3 PRO 24 HD1 PRO 24 -11.091 -0.860 -2.344 208 HA PRO 25 HA PRO 25 -15.924 -0.420 2.286 209 HB2 PRO 25 HB2 PRO 25 -18.589 0.120 2.019 210 HB3 PRO 25 HB1 PRO 25 -17.358 1.385 2.209 211 HG2 PRO 25 HG2 PRO 25 -18.712 0.430 -0.261 212 HG3 PRO 25 HG1 PRO 25 -18.274 2.077 0.224 213 HD2 PRO 25 HD2 PRO 25 -16.838 0.632 -1.562 214 HD3 PRO 25 HD1 PRO 25 -16.117 1.866 -0.503 215 H ARG 26 HN ARG 26 -16.985 -2.183 3.291 216 HA ARG 26 HA ARG 26 -17.967 -4.333 1.440 217 HB2 ARG 26 HB2 ARG 26 -16.250 -4.215 3.876 218 HB3 ARG 26 HB1 ARG 26 -17.267 -5.640 3.685 219 HG2 ARG 26 HG2 ARG 26 -15.759 -4.746 1.278 220 HG3 ARG 26 HG1 ARG 26 -14.820 -5.466 2.586 221 HD2 ARG 26 HD2 ARG 26 -16.880 -7.240 2.469 222 HD3 ARG 26 HD1 ARG 26 -16.795 -6.740 0.769 223 HE ARG 26 HE ARG 26 -14.557 -7.595 0.647 224 HH11 ARG 26 HH21 ARG 26 -15.832 -9.767 2.345 225 HH12 ARG 26 HH22 ARG 26 -14.666 -9.948 3.611 226 HH21 ARG 26 HH11 ARG 26 -13.071 -6.927 2.910 227 HH22 ARG 26 HH12 ARG 26 -13.087 -8.322 3.936 228 H ALA 27 HN ALA 27 -19.656 -2.161 2.668 229 HA ALA 27 HA ALA 27 -21.710 -3.918 3.880 230 HB1 ALA 27 HB1 ALA 27 -20.350 -3.214 5.775 231 HB2 ALA 27 HB2 ALA 27 -21.887 -2.352 5.837 232 HB3 ALA 27 HB3 ALA 27 -20.438 -1.530 5.258 233 H TYR 28 HN TYR 28 -22.005 -2.876 1.407 234 HA TYR 28 HA TYR 28 -23.715 -0.426 1.737 235 HB2 TYR 28 HB2 TYR 28 -21.660 -1.294 -0.213 236 HB3 TYR 28 HB1 TYR 28 -23.097 -0.568 -0.926 237 HD1 TYR 28 HD1 TYR 28 -20.876 0.034 2.058 238 HD2 TYR 28 HD2 TYR 28 -23.008 1.726 -1.266 239 HE1 TYR 28 HE1 TYR 28 -20.054 2.288 2.677 240 HE2 TYR 28 HE2 TYR 28 -22.184 3.980 -0.646 241 HH TYR 28 HH TYR 28 -21.134 4.845 2.142 242 H ALA 29 HN ALA 29 -23.354 -3.355 -0.322 243 HA ALA 29 HA ALA 29 -26.348 -3.505 -0.484 244 HB1 ALA 29 HB1 ALA 29 -24.251 -4.330 -2.521 245 HB2 ALA 29 HB2 ALA 29 -25.182 -2.833 -2.584 246 HB3 ALA 29 HB3 ALA 29 -25.999 -4.386 -2.747 Start of MODEL 23 1 H1 ARG 1 HT1 ARG 1 24.602 -0.383 10.696 2 H2 ARG 1 HT2 ARG 1 25.844 0.282 9.750 3 H3 ARG 1 HT3 ARG 1 25.474 -1.374 9.635 4 HA ARG 1 HA ARG 1 23.731 0.893 8.786 5 HB2 ARG 1 HB2 ARG 1 25.805 0.228 7.445 6 HB3 ARG 1 HB1 ARG 1 25.017 -1.326 7.172 7 HG2 ARG 1 HG2 ARG 1 23.110 -0.210 6.116 8 HG3 ARG 1 HG1 ARG 1 23.825 1.368 6.443 9 HD2 ARG 1 HD2 ARG 1 25.510 -0.599 4.946 10 HD3 ARG 1 HD1 ARG 1 24.162 0.159 4.075 11 HE ARG 1 HE ARG 1 26.119 1.839 5.592 12 HH11 ARG 1 HH11 ARG 1 23.775 3.054 4.129 13 HH12 ARG 1 HH12 ARG 1 24.501 3.548 2.638 14 HH21 ARG 1 HH21 ARG 1 27.338 1.569 3.073 15 HH22 ARG 1 HH22 ARG 1 26.540 2.699 2.034 16 H LEU 2 HN LEU 2 21.643 0.262 8.067 17 HA LEU 2 HA LEU 2 20.814 -2.570 8.203 18 HB2 LEU 2 HB2 LEU 2 19.037 -2.012 9.887 19 HB3 LEU 2 HB1 LEU 2 20.672 -1.894 10.526 20 HG LEU 2 HG LEU 2 19.648 0.620 9.355 21 HD11 LEU 2 HD11 LEU 2 18.383 -0.575 11.840 22 HD12 LEU 2 HD12 LEU 2 17.560 -0.179 10.330 23 HD13 LEU 2 HD13 LEU 2 18.222 1.108 11.339 24 HD21 LEU 2 HD21 LEU 2 21.776 0.344 10.671 25 HD22 LEU 2 HD22 LEU 2 20.799 -0.046 12.086 26 HD23 LEU 2 HD23 LEU 2 20.688 1.553 11.350 27 H VAL 3 HN VAL 3 18.894 -2.953 7.018 28 HA VAL 3 HA VAL 3 17.472 -0.602 5.859 29 HB VAL 3 HB VAL 3 17.579 -1.906 3.628 30 HG11 VAL 3 HG11 VAL 3 18.777 0.217 4.106 31 HG12 VAL 3 HG12 VAL 3 19.680 -0.841 3.023 32 HG13 VAL 3 HG13 VAL 3 20.139 -0.719 4.720 33 HG21 VAL 3 HG21 VAL 3 18.562 -3.985 4.761 34 HG22 VAL 3 HG22 VAL 3 20.073 -3.083 4.891 35 HG23 VAL 3 HG23 VAL 3 19.393 -3.439 3.304 36 HA PRO 4 HA PRO 4 14.049 -3.272 6.851 37 HB2 PRO 4 HB2 PRO 4 12.064 -1.755 5.744 38 HB3 PRO 4 HB1 PRO 4 12.860 -1.336 7.274 39 HG2 PRO 4 HG2 PRO 4 13.264 -0.202 4.566 40 HG3 PRO 4 HG1 PRO 4 13.319 0.591 6.149 41 HD2 PRO 4 HD2 PRO 4 15.530 -0.130 4.690 42 HD3 PRO 4 HD1 PRO 4 15.515 0.117 6.449 43 H GLY 5 HN GLY 5 14.861 -4.941 5.304 44 HA2 GLY 5 HA2 GLY 5 14.573 -6.384 3.471 45 HA3 GLY 5 HA1 GLY 5 12.996 -5.631 3.267 46 H ALA 6 HN ALA 6 16.057 -3.924 3.136 47 HA ALA 6 HA ALA 6 17.004 -2.540 1.491 48 HB1 ALA 6 HB1 ALA 6 16.060 -4.929 -0.127 49 HB2 ALA 6 HB2 ALA 6 17.617 -4.760 0.683 50 HB3 ALA 6 HB3 ALA 6 17.227 -3.734 -0.696 51 H ALA 7 HN ALA 7 14.282 -1.872 2.162 52 HA ALA 7 HA ALA 7 12.461 -0.594 1.409 53 HB1 ALA 7 HB1 ALA 7 13.305 1.218 0.343 54 HB2 ALA 7 HB2 ALA 7 13.758 0.267 -1.071 55 HB3 ALA 7 HB3 ALA 7 14.844 0.357 0.314 56 H TYR 8 HN TYR 8 12.678 -3.436 0.466 57 HA TYR 8 HA TYR 8 11.262 -3.270 -2.159 58 HB2 TYR 8 HB2 TYR 8 13.313 -4.944 -1.035 59 HB3 TYR 8 HB1 TYR 8 11.914 -5.943 -1.423 60 HD1 TYR 8 HD2 TYR 8 10.964 -5.895 -3.757 61 HD2 TYR 8 HD1 TYR 8 14.674 -3.982 -2.739 62 HE1 TYR 8 HE2 TYR 8 11.570 -5.792 -6.158 63 HE2 TYR 8 HE1 TYR 8 15.279 -3.879 -5.142 64 HH TYR 8 HH TYR 8 13.431 -3.963 -7.506 65 H ALA 9 HN ALA 9 11.161 -5.024 0.933 66 HA ALA 9 HA ALA 9 8.517 -6.106 0.613 67 HB1 ALA 9 HB1 ALA 9 10.240 -6.939 2.201 68 HB2 ALA 9 HB2 ALA 9 8.727 -6.565 3.027 69 HB3 ALA 9 HB3 ALA 9 10.086 -5.444 3.125 70 H LEU 10 HN LEU 10 9.744 -3.146 2.068 71 HA LEU 10 HA LEU 10 7.338 -2.129 3.241 72 HB2 LEU 10 HB2 LEU 10 9.955 -1.406 3.151 73 HB3 LEU 10 HB1 LEU 10 9.299 -0.255 1.994 74 HG LEU 10 HG LEU 10 7.965 -0.653 4.668 75 HD11 LEU 10 HD11 LEU 10 9.311 1.307 5.468 76 HD12 LEU 10 HD12 LEU 10 10.319 1.149 4.031 77 HD13 LEU 10 HD13 LEU 10 10.275 -0.150 5.223 78 HD21 LEU 10 HD21 LEU 10 7.360 1.762 4.211 79 HD22 LEU 10 HD22 LEU 10 6.710 0.620 3.034 80 HD23 LEU 10 HD23 LEU 10 8.126 1.591 2.631 81 H TYR 11 HN TYR 11 8.830 -1.514 0.054 82 HA TYR 11 HA TYR 11 6.675 0.120 -0.957 83 HB2 TYR 11 HB2 TYR 11 9.169 -1.146 -1.958 84 HB3 TYR 11 HB1 TYR 11 7.968 -0.715 -3.175 85 HD1 TYR 11 HD1 TYR 11 10.209 0.582 -0.546 86 HD2 TYR 11 HD2 TYR 11 7.335 1.604 -3.572 87 HE1 TYR 11 HE1 TYR 11 10.875 2.964 -0.374 88 HE2 TYR 11 HE2 TYR 11 8.001 3.985 -3.399 89 HH TYR 11 HH TYR 11 10.729 5.047 -2.162 90 H GLY 12 HN GLY 12 6.780 -3.241 -0.457 91 HA2 GLY 12 HA2 GLY 12 5.049 -3.936 -2.735 92 HA3 GLY 12 HA1 GLY 12 5.636 -5.050 -1.497 93 H VAL 13 HN VAL 13 4.820 -3.382 0.762 94 HA VAL 13 HA VAL 13 1.923 -4.021 0.739 95 HB VAL 13 HB VAL 13 2.111 -3.885 3.170 96 HG11 VAL 13 HG11 VAL 13 2.849 -5.961 1.981 97 HG12 VAL 13 HG12 VAL 13 3.638 -5.726 3.541 98 HG13 VAL 13 HG13 VAL 13 4.507 -5.363 2.050 99 HG21 VAL 13 HG21 VAL 13 4.214 -3.332 4.279 100 HG22 VAL 13 HG22 VAL 13 3.745 -1.987 3.240 101 HG23 VAL 13 HG23 VAL 13 5.014 -3.099 2.725 102 H TRP 14 HN TRP 14 4.035 -1.252 0.804 103 HA TRP 14 HA TRP 14 2.415 0.743 1.961 104 HB2 TRP 14 HB2 TRP 14 4.780 0.984 1.281 105 HB3 TRP 14 HB1 TRP 14 4.299 0.955 -0.404 106 HD1 TRP 14 HD1 TRP 14 4.695 3.345 -1.197 107 HE1 TRP 14 HE1 TRP 14 3.892 5.676 -0.456 108 HE3 TRP 14 HE3 TRP 14 2.344 2.131 3.178 109 HZ2 TRP 14 HZ2 TRP 14 2.445 6.874 1.703 110 HZ3 TRP 14 HZ3 TRP 14 1.266 3.879 4.548 111 HH2 TRP 14 HH2 TRP 14 1.311 6.250 3.821 112 HA PRO 15 HA PRO 15 0.459 1.653 -2.334 113 HB2 PRO 15 HB2 PRO 15 0.625 -0.270 -4.272 114 HB3 PRO 15 HB1 PRO 15 1.808 1.043 -4.093 115 HG2 PRO 15 HG2 PRO 15 1.991 -1.790 -3.209 116 HG3 PRO 15 HG1 PRO 15 3.234 -0.743 -3.916 117 HD2 PRO 15 HD2 PRO 15 3.093 -1.285 -1.271 118 HD3 PRO 15 HD1 PRO 15 3.746 0.241 -1.903 119 H LEU 16 HN LEU 16 0.412 -1.664 -1.064 120 HA LEU 16 HA LEU 16 -2.250 -2.350 -1.931 121 HB2 LEU 16 HB2 LEU 16 -0.152 -3.584 -0.600 122 HB3 LEU 16 HB1 LEU 16 -1.353 -3.410 0.672 123 HG LEU 16 HG LEU 16 -1.639 -5.562 -0.445 124 HD11 LEU 16 HD11 LEU 16 -3.652 -4.218 0.316 125 HD12 LEU 16 HD12 LEU 16 -3.985 -5.432 -0.920 126 HD13 LEU 16 HD13 LEU 16 -3.867 -3.730 -1.364 127 HD21 LEU 16 HD21 LEU 16 -0.654 -4.708 -2.650 128 HD22 LEU 16 HD22 LEU 16 -2.251 -4.045 -2.995 129 HD23 LEU 16 HD23 LEU 16 -2.043 -5.784 -2.790 130 H LEU 17 HN LEU 17 -1.005 -0.915 1.057 131 HA LEU 17 HA LEU 17 -3.567 -0.561 2.345 132 HB2 LEU 17 HB2 LEU 17 -0.757 0.392 2.667 133 HB3 LEU 17 HB1 LEU 17 -2.001 1.388 3.417 134 HG LEU 17 HG LEU 17 -2.892 -0.922 4.328 135 HD11 LEU 17 HD11 LEU 17 -0.967 -2.023 2.888 136 HD12 LEU 17 HD12 LEU 17 -1.362 -2.667 4.480 137 HD13 LEU 17 HD13 LEU 17 0.030 -1.603 4.280 138 HD21 LEU 17 HD21 LEU 17 -1.559 -0.586 6.347 139 HD22 LEU 17 HD22 LEU 17 -1.978 0.987 5.670 140 HD23 LEU 17 HD23 LEU 17 -0.358 0.332 5.439 141 H LEU 18 HN LEU 18 -1.582 1.454 0.239 142 HA LEU 18 HA LEU 18 -3.190 3.839 0.267 143 HB2 LEU 18 HB2 LEU 18 -0.976 2.628 -1.266 144 HB3 LEU 18 HB1 LEU 18 -1.991 3.687 -2.237 145 HG LEU 18 HG LEU 18 -1.682 5.508 -0.615 146 HD11 LEU 18 HD11 LEU 18 -0.268 5.295 1.314 147 HD12 LEU 18 HD12 LEU 18 0.262 3.686 0.828 148 HD13 LEU 18 HD13 LEU 18 -1.395 3.940 1.373 149 HD21 LEU 18 HD21 LEU 18 0.734 5.890 -0.987 150 HD22 LEU 18 HD22 LEU 18 -0.043 5.268 -2.442 151 HD23 LEU 18 HD23 LEU 18 0.929 4.195 -1.433 152 H LEU 19 HN LEU 19 -3.263 0.865 -1.710 153 HA LEU 19 HA LEU 19 -5.433 1.715 -3.449 154 HB2 LEU 19 HB2 LEU 19 -3.564 -0.353 -3.312 155 HB3 LEU 19 HB1 LEU 19 -5.091 -1.169 -3.011 156 HG LEU 19 HG LEU 19 -5.896 0.306 -5.077 157 HD11 LEU 19 HD11 LEU 19 -3.928 0.311 -6.739 158 HD12 LEU 19 HD12 LEU 19 -2.887 0.158 -5.324 159 HD13 LEU 19 HD13 LEU 19 -3.931 1.569 -5.504 160 HD21 LEU 19 HD21 LEU 19 -4.207 -2.212 -5.258 161 HD22 LEU 19 HD22 LEU 19 -5.218 -1.602 -6.567 162 HD23 LEU 19 HD23 LEU 19 -5.956 -2.130 -5.055 163 H LEU 20 HN LEU 20 -5.143 -0.174 -0.491 164 HA LEU 20 HA LEU 20 -7.874 -1.005 -0.193 165 HB2 LEU 20 HB2 LEU 20 -5.386 -0.878 1.362 166 HB3 LEU 20 HB1 LEU 20 -6.817 -0.702 2.366 167 HG LEU 20 HG LEU 20 -6.554 -2.903 0.309 168 HD11 LEU 20 HD11 LEU 20 -5.805 -4.380 2.075 169 HD12 LEU 20 HD12 LEU 20 -5.946 -3.094 3.273 170 HD13 LEU 20 HD13 LEU 20 -4.711 -2.998 2.017 171 HD21 LEU 20 HD21 LEU 20 -8.277 -2.551 2.788 172 HD22 LEU 20 HD22 LEU 20 -8.305 -3.951 1.716 173 HD23 LEU 20 HD23 LEU 20 -8.830 -2.376 1.122 174 H LEU 21 HN LEU 21 -6.140 1.932 0.853 175 HA LEU 21 HA LEU 21 -8.202 3.093 2.448 176 HB2 LEU 21 HB2 LEU 21 -5.679 3.656 2.109 177 HB3 LEU 21 HB1 LEU 21 -6.250 4.677 0.791 178 HG LEU 21 HG LEU 21 -7.941 5.581 2.593 179 HD11 LEU 21 HD11 LEU 21 -5.669 4.749 4.405 180 HD12 LEU 21 HD12 LEU 21 -7.128 3.776 4.232 181 HD13 LEU 21 HD13 LEU 21 -7.235 5.421 4.857 182 HD21 LEU 21 HD21 LEU 21 -6.075 6.856 1.507 183 HD22 LEU 21 HD22 LEU 21 -4.989 6.271 2.768 184 HD23 LEU 21 HD23 LEU 21 -6.339 7.325 3.187 185 H ALA 22 HN ALA 22 -7.811 2.946 -1.022 186 HA ALA 22 HA ALA 22 -10.040 4.898 -1.434 187 HB1 ALA 22 HB1 ALA 22 -9.076 5.293 -3.513 188 HB2 ALA 22 HB2 ALA 22 -8.410 3.665 -3.629 189 HB3 ALA 22 HB3 ALA 22 -7.647 4.857 -2.576 190 H LEU 23 HN LEU 23 -10.226 1.899 -0.581 191 HA LEU 23 HA LEU 23 -12.057 1.020 -2.796 192 HB2 LEU 23 HB2 LEU 23 -9.676 -0.029 -1.974 193 HB3 LEU 23 HB1 LEU 23 -10.836 -0.990 -1.076 194 HG LEU 23 HG LEU 23 -10.358 -2.086 -3.207 195 HD11 LEU 23 HD11 LEU 23 -13.077 -0.792 -3.474 196 HD12 LEU 23 HD12 LEU 23 -12.730 -2.038 -2.275 197 HD13 LEU 23 HD13 LEU 23 -12.585 -2.404 -3.993 198 HD21 LEU 23 HD21 LEU 23 -11.501 -0.424 -5.150 199 HD22 LEU 23 HD22 LEU 23 -9.783 -0.753 -4.936 200 HD23 LEU 23 HD23 LEU 23 -10.509 0.661 -4.175 201 HA PRO 24 HA PRO 24 -14.215 1.221 1.431 202 HB2 PRO 24 HB2 PRO 24 -16.019 3.168 0.767 203 HB3 PRO 24 HB1 PRO 24 -14.420 3.524 1.454 204 HG2 PRO 24 HG2 PRO 24 -15.318 3.644 -1.382 205 HG3 PRO 24 HG1 PRO 24 -14.255 4.744 -0.486 206 HD2 PRO 24 HD2 PRO 24 -13.298 2.848 -2.201 207 HD3 PRO 24 HD1 PRO 24 -12.399 3.405 -0.780 208 HA PRO 25 HA PRO 25 -17.246 -1.492 -0.373 209 HB2 PRO 25 HB2 PRO 25 -18.922 -1.778 1.768 210 HB3 PRO 25 HB1 PRO 25 -17.340 -2.578 1.657 211 HG2 PRO 25 HG2 PRO 25 -18.097 -0.095 3.117 212 HG3 PRO 25 HG1 PRO 25 -17.043 -1.429 3.626 213 HD2 PRO 25 HD2 PRO 25 -16.066 0.911 2.722 214 HD3 PRO 25 HD1 PRO 25 -15.237 -0.638 2.448 215 H ARG 26 HN ARG 26 -19.505 -1.482 -1.031 216 HA ARG 26 HA ARG 26 -21.093 0.985 -0.562 217 HB2 ARG 26 HB2 ARG 26 -19.533 0.337 -2.977 218 HB3 ARG 26 HB1 ARG 26 -21.212 0.751 -3.308 219 HG2 ARG 26 HG2 ARG 26 -20.755 2.924 -3.000 220 HG3 ARG 26 HG1 ARG 26 -20.233 2.587 -1.350 221 HD2 ARG 26 HD2 ARG 26 -18.074 1.696 -2.842 222 HD3 ARG 26 HD1 ARG 26 -18.604 3.137 -3.733 223 HE ARG 26 HE ARG 26 -17.594 3.103 -0.965 224 HH11 ARG 26 HH11 ARG 26 -20.060 4.701 -0.795 225 HH12 ARG 26 HH12 ARG 26 -19.542 6.290 -1.250 226 HH21 ARG 26 HH21 ARG 26 -16.582 5.175 -2.716 227 HH22 ARG 26 HH22 ARG 26 -17.555 6.555 -2.347 228 H ALA 27 HN ALA 27 -20.950 -1.928 -2.667 229 HA ALA 27 HA ALA 27 -22.535 -3.584 -3.150 230 HB1 ALA 27 HB1 ALA 27 -24.025 -2.658 -0.695 231 HB2 ALA 27 HB2 ALA 27 -22.485 -3.506 -0.559 232 HB3 ALA 27 HB3 ALA 27 -23.860 -4.295 -1.330 233 H TYR 28 HN TYR 28 -22.963 -0.613 -3.897 234 HA TYR 28 HA TYR 28 -25.575 -0.936 -5.180 235 HB2 TYR 28 HB2 TYR 28 -25.230 0.474 -2.636 236 HB3 TYR 28 HB1 TYR 28 -25.872 1.538 -3.883 237 HD1 TYR 28 HD2 TYR 28 -27.817 0.493 -5.364 238 HD2 TYR 28 HD1 TYR 28 -26.711 -0.877 -1.444 239 HE1 TYR 28 HE2 TYR 28 -30.053 -0.545 -5.094 240 HE2 TYR 28 HE1 TYR 28 -28.946 -1.913 -1.176 241 HH TYR 28 HH TYR 28 -30.832 -2.781 -3.275 242 H ALA 29 HN ALA 29 -23.253 1.601 -4.140 243 HA ALA 29 HA ALA 29 -22.994 2.472 -6.999 244 HB1 ALA 29 HB1 ALA 29 -22.856 4.745 -6.124 245 HB2 ALA 29 HB2 ALA 29 -22.848 4.143 -4.466 246 HB3 ALA 29 HB3 ALA 29 -24.296 3.977 -5.457 Start of MODEL 24 1 H1 ARG 1 HT1 ARG 1 18.655 -2.992 -8.291 2 H2 ARG 1 HT2 ARG 1 17.499 -3.419 -7.119 3 H3 ARG 1 HT3 ARG 1 17.696 -4.372 -8.511 4 HA ARG 1 HA ARG 1 19.897 -5.055 -7.803 5 HB2 ARG 1 HB2 ARG 1 19.311 -2.852 -5.870 6 HB3 ARG 1 HB1 ARG 1 20.309 -4.187 -5.299 7 HG2 ARG 1 HG2 ARG 1 21.943 -3.834 -7.004 8 HG3 ARG 1 HG1 ARG 1 20.882 -2.737 -7.891 9 HD2 ARG 1 HD2 ARG 1 21.127 -1.006 -6.287 10 HD3 ARG 1 HD1 ARG 1 21.774 -2.119 -5.064 11 HE ARG 1 HE ARG 1 23.846 -2.270 -6.351 12 HH11 ARG 1 HH21 ARG 1 23.276 0.728 -6.066 13 HH12 ARG 1 HH22 ARG 1 23.614 1.283 -7.670 14 HH21 ARG 1 HH11 ARG 1 23.528 -1.907 -9.068 15 HH22 ARG 1 HH12 ARG 1 23.759 -0.222 -9.385 16 H LEU 2 HN LEU 2 20.170 -6.839 -6.275 17 HA LEU 2 HA LEU 2 17.663 -8.142 -5.547 18 HB2 LEU 2 HB2 LEU 2 20.477 -8.789 -5.874 19 HB3 LEU 2 HB1 LEU 2 19.853 -9.499 -4.388 20 HG LEU 2 HG LEU 2 18.326 -9.741 -6.978 21 HD11 LEU 2 HD11 LEU 2 19.426 -11.921 -7.321 22 HD12 LEU 2 HD12 LEU 2 20.473 -11.616 -5.935 23 HD13 LEU 2 HD13 LEU 2 20.604 -10.609 -7.379 24 HD21 LEU 2 HD21 LEU 2 18.453 -11.312 -4.381 25 HD22 LEU 2 HD22 LEU 2 17.537 -11.831 -5.796 26 HD23 LEU 2 HD23 LEU 2 17.104 -10.338 -4.965 27 H VAL 3 HN VAL 3 16.675 -6.870 -3.923 28 HA VAL 3 HA VAL 3 18.156 -6.107 -1.503 29 HB VAL 3 HB VAL 3 15.940 -5.192 -0.809 30 HG11 VAL 3 HG11 VAL 3 17.438 -3.816 -2.152 31 HG12 VAL 3 HG12 VAL 3 15.767 -3.521 -2.633 32 HG13 VAL 3 HG13 VAL 3 16.807 -4.533 -3.636 33 HG21 VAL 3 HG21 VAL 3 13.987 -5.775 -1.807 34 HG22 VAL 3 HG22 VAL 3 14.883 -7.097 -2.550 35 HG23 VAL 3 HG23 VAL 3 14.665 -5.581 -3.423 36 HA PRO 4 HA PRO 4 17.034 -9.799 0.696 37 HB2 PRO 4 HB2 PRO 4 17.918 -9.050 3.164 38 HB3 PRO 4 HB1 PRO 4 19.005 -9.460 1.825 39 HG2 PRO 4 HG2 PRO 4 18.431 -6.859 3.014 40 HG3 PRO 4 HG1 PRO 4 19.802 -7.375 2.027 41 HD2 PRO 4 HD2 PRO 4 17.511 -5.863 1.217 42 HD3 PRO 4 HD1 PRO 4 18.906 -6.366 0.237 43 H GLY 5 HN GLY 5 14.791 -7.832 0.378 44 HA2 GLY 5 HA2 GLY 5 12.578 -8.072 1.311 45 HA3 GLY 5 HA1 GLY 5 13.301 -8.539 2.846 46 H ALA 6 HN ALA 6 15.201 -6.293 2.929 47 HA ALA 6 HA ALA 6 13.824 -4.365 4.402 48 HB1 ALA 6 HB1 ALA 6 16.214 -4.545 4.433 49 HB2 ALA 6 HB2 ALA 6 15.830 -2.928 3.842 50 HB3 ALA 6 HB3 ALA 6 16.317 -4.189 2.708 51 H ALA 7 HN ALA 7 14.729 -4.053 0.973 52 HA ALA 7 HA ALA 7 12.920 -1.704 0.683 53 HB1 ALA 7 HB1 ALA 7 14.093 -1.860 -1.685 54 HB2 ALA 7 HB2 ALA 7 15.205 -2.929 -0.833 55 HB3 ALA 7 HB3 ALA 7 14.990 -1.266 -0.288 56 H TYR 8 HN TYR 8 12.077 -4.730 0.832 57 HA TYR 8 HA TYR 8 10.627 -4.906 -1.771 58 HB2 TYR 8 HB2 TYR 8 12.171 -6.735 -0.395 59 HB3 TYR 8 HB1 TYR 8 10.544 -7.176 0.113 60 HD1 TYR 8 HD1 TYR 8 8.755 -7.079 -1.934 61 HD2 TYR 8 HD2 TYR 8 12.977 -7.786 -2.303 62 HE1 TYR 8 HE1 TYR 8 8.378 -8.195 -4.113 63 HE2 TYR 8 HE2 TYR 8 12.598 -8.901 -4.482 64 HH TYR 8 HH TYR 8 10.092 -10.173 -5.485 65 H ALA 9 HN ALA 9 10.103 -5.594 1.682 66 HA ALA 9 HA ALA 9 7.236 -5.607 1.583 67 HB1 ALA 9 HB1 ALA 9 9.181 -5.017 3.834 68 HB2 ALA 9 HB2 ALA 9 8.527 -6.600 3.410 69 HB3 ALA 9 HB3 ALA 9 7.465 -5.352 4.063 70 H LEU 10 HN LEU 10 9.574 -3.065 2.249 71 HA LEU 10 HA LEU 10 7.846 -0.927 3.008 72 HB2 LEU 10 HB2 LEU 10 10.559 -1.391 2.549 73 HB3 LEU 10 HB1 LEU 10 10.148 -0.171 1.349 74 HG LEU 10 HG LEU 10 9.264 0.136 4.214 75 HD11 LEU 10 HD11 LEU 10 11.295 1.095 4.852 76 HD12 LEU 10 HD12 LEU 10 11.801 1.381 3.187 77 HD13 LEU 10 HD13 LEU 10 11.836 -0.253 3.852 78 HD21 LEU 10 HD21 LEU 10 9.369 2.544 3.566 79 HD22 LEU 10 HD22 LEU 10 8.271 1.627 2.535 80 HD23 LEU 10 HD23 LEU 10 9.874 2.067 1.945 81 H TYR 11 HN TYR 11 8.987 -1.983 -0.195 82 HA TYR 11 HA TYR 11 7.495 0.078 -1.641 83 HB2 TYR 11 HB2 TYR 11 9.383 -2.153 -2.217 84 HB3 TYR 11 HB1 TYR 11 8.346 -1.622 -3.540 85 HD1 TYR 11 HD2 TYR 11 10.787 -0.422 -0.992 86 HD2 TYR 11 HD1 TYR 11 8.764 0.417 -4.688 87 HE1 TYR 11 HE2 TYR 11 12.242 1.554 -1.340 88 HE2 TYR 11 HE1 TYR 11 10.219 2.392 -5.035 89 HH TYR 11 HH TYR 11 12.988 2.890 -3.713 90 H GLY 12 HN GLY 12 6.866 -3.169 -0.576 91 HA2 GLY 12 HA2 GLY 12 4.757 -3.735 -2.498 92 HA3 GLY 12 HA1 GLY 12 5.145 -4.694 -1.075 93 H VAL 13 HN VAL 13 4.876 -2.229 0.707 94 HA VAL 13 HA VAL 13 2.009 -2.509 1.156 95 HB VAL 13 HB VAL 13 2.439 -0.973 3.069 96 HG11 VAL 13 HG11 VAL 13 2.690 -3.266 3.560 97 HG12 VAL 13 HG12 VAL 13 4.161 -2.519 4.184 98 HG13 VAL 13 HG13 VAL 13 4.195 -3.389 2.650 99 HG21 VAL 13 HG21 VAL 13 5.384 -1.119 2.533 100 HG22 VAL 13 HG22 VAL 13 4.467 0.080 3.443 101 HG23 VAL 13 HG23 VAL 13 4.449 0.112 1.682 102 H TRP 14 HN TRP 14 3.974 -0.199 -0.537 103 HA TRP 14 HA TRP 14 2.448 2.159 -0.399 104 HB2 TRP 14 HB2 TRP 14 4.648 1.871 -1.525 105 HB3 TRP 14 HB1 TRP 14 3.853 1.022 -2.836 106 HD1 TRP 14 HD1 TRP 14 3.770 2.621 -4.813 107 HE1 TRP 14 HE1 TRP 14 3.062 5.073 -5.168 108 HE3 TRP 14 HE3 TRP 14 2.844 3.985 0.018 109 HZ2 TRP 14 HZ2 TRP 14 2.212 7.319 -3.608 110 HZ3 TRP 14 HZ3 TRP 14 2.088 6.277 0.557 111 HH2 TRP 14 HH2 TRP 14 1.772 7.946 -1.246 112 HA PRO 15 HA PRO 15 -0.335 0.720 -4.011 113 HB2 PRO 15 HB2 PRO 15 -0.328 -1.923 -4.719 114 HB3 PRO 15 HB1 PRO 15 0.724 -0.708 -5.475 115 HG2 PRO 15 HG2 PRO 15 1.361 -2.706 -3.368 116 HG3 PRO 15 HG1 PRO 15 2.337 -2.159 -4.741 117 HD2 PRO 15 HD2 PRO 15 2.733 -1.293 -2.203 118 HD3 PRO 15 HD1 PRO 15 3.114 -0.308 -3.628 119 H LEU 16 HN LEU 16 0.220 -1.487 -1.289 120 HA LEU 16 HA LEU 16 -2.517 -2.446 -1.108 121 HB2 LEU 16 HB2 LEU 16 0.003 -2.556 0.483 122 HB3 LEU 16 HB1 LEU 16 -1.490 -2.810 1.376 123 HG LEU 16 HG LEU 16 -0.525 -4.942 0.579 124 HD11 LEU 16 HD11 LEU 16 -2.545 -5.887 -0.125 125 HD12 LEU 16 HD12 LEU 16 -3.001 -4.464 -1.062 126 HD13 LEU 16 HD13 LEU 16 -3.074 -4.421 0.699 127 HD21 LEU 16 HD21 LEU 16 -1.094 -3.905 -2.214 128 HD22 LEU 16 HD22 LEU 16 -0.377 -5.456 -1.782 129 HD23 LEU 16 HD23 LEU 16 0.514 -3.964 -1.497 130 H LEU 17 HN LEU 17 -0.667 0.021 0.691 131 HA LEU 17 HA LEU 17 -2.975 0.934 2.184 132 HB2 LEU 17 HB2 LEU 17 -1.514 2.763 2.891 133 HB3 LEU 17 HB1 LEU 17 -0.594 1.267 2.884 134 HG LEU 17 HG LEU 17 -0.011 2.063 0.404 135 HD11 LEU 17 HD11 LEU 17 -1.278 4.381 1.629 136 HD12 LEU 17 HD12 LEU 17 -0.770 4.141 -0.042 137 HD13 LEU 17 HD13 LEU 17 0.383 4.733 1.153 138 HD21 LEU 17 HD21 LEU 17 1.969 3.315 1.476 139 HD22 LEU 17 HD22 LEU 17 1.728 1.640 1.969 140 HD23 LEU 17 HD23 LEU 17 1.205 2.953 3.023 141 H LEU 18 HN LEU 18 -1.645 1.635 -0.963 142 HA LEU 18 HA LEU 18 -3.147 4.045 -1.552 143 HB2 LEU 18 HB2 LEU 18 -1.617 1.923 -3.037 144 HB3 LEU 18 HB1 LEU 18 -2.688 2.951 -3.973 145 HG LEU 18 HG LEU 18 -0.454 3.917 -2.159 146 HD11 LEU 18 HD11 LEU 18 -0.709 3.573 -5.146 147 HD12 LEU 18 HD12 LEU 18 0.578 3.010 -4.080 148 HD13 LEU 18 HD13 LEU 18 0.427 4.727 -4.448 149 HD21 LEU 18 HD21 LEU 18 -0.972 6.094 -3.464 150 HD22 LEU 18 HD22 LEU 18 -2.072 5.639 -2.164 151 HD23 LEU 18 HD23 LEU 18 -2.518 5.337 -3.844 152 H LEU 19 HN LEU 19 -3.610 0.546 -2.075 153 HA LEU 19 HA LEU 19 -6.166 0.659 -3.384 154 HB2 LEU 19 HB2 LEU 19 -4.271 -1.256 -2.655 155 HB3 LEU 19 HB1 LEU 19 -5.656 -1.671 -1.663 156 HG LEU 19 HG LEU 19 -5.822 -2.893 -3.738 157 HD11 LEU 19 HD11 LEU 19 -7.918 -1.852 -2.791 158 HD12 LEU 19 HD12 LEU 19 -7.991 -2.196 -4.519 159 HD13 LEU 19 HD13 LEU 19 -7.724 -0.545 -3.960 160 HD21 LEU 19 HD21 LEU 19 -5.795 -1.812 -5.914 161 HD22 LEU 19 HD22 LEU 19 -4.335 -1.350 -5.038 162 HD23 LEU 19 HD23 LEU 19 -5.683 -0.219 -5.165 163 H LEU 20 HN LEU 20 -5.149 0.353 -0.027 164 HA LEU 20 HA LEU 20 -7.727 0.070 1.220 165 HB2 LEU 20 HB2 LEU 20 -4.920 0.551 1.935 166 HB3 LEU 20 HB1 LEU 20 -6.033 1.370 3.024 167 HG LEU 20 HG LEU 20 -6.519 -1.505 2.284 168 HD11 LEU 20 HD11 LEU 20 -5.208 -2.122 4.338 169 HD12 LEU 20 HD12 LEU 20 -4.598 -0.468 4.389 170 HD13 LEU 20 HD13 LEU 20 -4.210 -1.509 3.020 171 HD21 LEU 20 HD21 LEU 20 -8.261 -0.301 3.518 172 HD22 LEU 20 HD22 LEU 20 -7.084 0.210 4.727 173 HD23 LEU 20 HD23 LEU 20 -7.510 -1.495 4.576 174 H LEU 21 HN LEU 21 -5.688 2.947 0.559 175 HA LEU 21 HA LEU 21 -7.389 4.919 1.729 176 HB2 LEU 21 HB2 LEU 21 -4.944 5.010 0.822 177 HB3 LEU 21 HB1 LEU 21 -5.704 5.363 -0.730 178 HG LEU 21 HG LEU 21 -7.048 7.095 0.907 179 HD11 LEU 21 HD11 LEU 21 -5.592 8.075 2.498 180 HD12 LEU 21 HD12 LEU 21 -4.183 7.232 1.855 181 HD13 LEU 21 HD13 LEU 21 -5.412 6.338 2.752 182 HD21 LEU 21 HD21 LEU 21 -4.422 7.522 -0.557 183 HD22 LEU 21 HD22 LEU 21 -5.482 8.822 -0.014 184 HD23 LEU 21 HD23 LEU 21 -6.042 7.683 -1.236 185 H ALA 22 HN ALA 22 -7.352 3.450 -1.473 186 HA ALA 22 HA ALA 22 -9.751 5.036 -2.299 187 HB1 ALA 22 HB1 ALA 22 -9.090 4.175 -4.557 188 HB2 ALA 22 HB2 ALA 22 -7.751 3.310 -3.801 189 HB3 ALA 22 HB3 ALA 22 -7.793 5.074 -3.768 190 H LEU 23 HN LEU 23 -9.958 2.809 -0.345 191 HA LEU 23 HA LEU 23 -11.227 0.622 -1.901 192 HB2 LEU 23 HB2 LEU 23 -9.483 0.496 0.051 193 HB3 LEU 23 HB1 LEU 23 -10.886 0.713 1.079 194 HG LEU 23 HG LEU 23 -10.198 -1.680 0.679 195 HD11 LEU 23 HD11 LEU 23 -12.336 -2.329 0.994 196 HD12 LEU 23 HD12 LEU 23 -12.895 -1.570 -0.494 197 HD13 LEU 23 HD13 LEU 23 -12.689 -0.603 0.966 198 HD21 LEU 23 HD21 LEU 23 -9.796 -1.069 -1.876 199 HD22 LEU 23 HD22 LEU 23 -11.494 -1.519 -2.020 200 HD23 LEU 23 HD23 LEU 23 -10.323 -2.685 -1.408 201 HA PRO 24 HA PRO 24 -15.152 2.486 -0.836 202 HB2 PRO 24 HB2 PRO 24 -16.640 0.852 -2.434 203 HB3 PRO 24 HB1 PRO 24 -15.671 2.199 -3.054 204 HG2 PRO 24 HG2 PRO 24 -15.197 -0.682 -3.243 205 HG3 PRO 24 HG1 PRO 24 -14.586 0.634 -4.253 206 HD2 PRO 24 HD2 PRO 24 -13.209 -0.754 -2.183 207 HD3 PRO 24 HD1 PRO 24 -12.621 0.623 -3.130 208 HA PRO 25 HA PRO 25 -16.964 -0.177 2.205 209 HB2 PRO 25 HB2 PRO 25 -19.646 0.268 1.940 210 HB3 PRO 25 HB1 PRO 25 -18.530 1.464 2.629 211 HG2 PRO 25 HG2 PRO 25 -19.680 1.320 -0.109 212 HG3 PRO 25 HG1 PRO 25 -19.412 2.730 0.930 213 HD2 PRO 25 HD2 PRO 25 -17.771 2.083 -1.123 214 HD3 PRO 25 HD1 PRO 25 -17.209 2.920 0.342 215 H ARG 26 HN ARG 26 -18.826 -1.927 2.458 216 HA ARG 26 HA ARG 26 -18.405 -4.004 0.486 217 HB2 ARG 26 HB2 ARG 26 -18.957 -4.071 3.047 218 HB3 ARG 26 HB1 ARG 26 -20.635 -3.988 2.509 219 HG2 ARG 26 HG2 ARG 26 -20.532 -6.228 2.245 220 HG3 ARG 26 HG1 ARG 26 -19.514 -5.916 0.841 221 HD2 ARG 26 HD2 ARG 26 -17.900 -7.098 1.924 222 HD3 ARG 26 HD1 ARG 26 -17.748 -5.703 3.009 223 HE ARG 26 HE ARG 26 -19.523 -6.772 4.437 224 HH11 ARG 26 HH11 ARG 26 -20.520 -8.904 2.693 225 HH12 ARG 26 HH12 ARG 26 -19.639 -10.299 3.212 226 HH21 ARG 26 HH21 ARG 26 -17.194 -8.453 4.873 227 HH22 ARG 26 HH22 ARG 26 -17.738 -10.042 4.459 228 H ALA 27 HN ALA 27 -21.010 -1.641 1.018 229 HA ALA 27 HA ALA 27 -22.532 -2.806 -1.288 230 HB1 ALA 27 HB1 ALA 27 -23.352 -1.046 1.047 231 HB2 ALA 27 HB2 ALA 27 -23.727 -2.757 0.842 232 HB3 ALA 27 HB3 ALA 27 -24.439 -1.563 -0.243 233 H TYR 28 HN TYR 28 -20.397 -1.385 -2.109 234 HA TYR 28 HA TYR 28 -20.859 1.471 -2.371 235 HB2 TYR 28 HB2 TYR 28 -18.855 1.415 -3.724 236 HB3 TYR 28 HB1 TYR 28 -18.633 0.322 -2.365 237 HD1 TYR 28 HD1 TYR 28 -19.301 0.525 -6.007 238 HD2 TYR 28 HD2 TYR 28 -18.413 -2.065 -2.695 239 HE1 TYR 28 HE1 TYR 28 -18.824 -1.327 -7.582 240 HE2 TYR 28 HE2 TYR 28 -17.937 -3.915 -4.271 241 HH TYR 28 HH TYR 28 -18.733 -4.465 -6.753 242 H ALA 29 HN ALA 29 -22.002 -1.290 -4.185 243 HA ALA 29 HA ALA 29 -22.746 0.439 -6.502 244 HB1 ALA 29 HB1 ALA 29 -22.908 -1.614 -7.711 245 HB2 ALA 29 HB2 ALA 29 -22.991 -2.566 -6.229 246 HB3 ALA 29 HB3 ALA 29 -21.478 -1.787 -6.692 Start of MODEL 25 1 H1 ARG 1 HT1 ARG 1 21.016 -0.471 -5.954 2 H2 ARG 1 HT2 ARG 1 19.503 -1.245 -5.933 3 H3 ARG 1 HT3 ARG 1 20.817 -1.916 -5.094 4 HA ARG 1 HA ARG 1 20.797 -0.230 -3.454 5 HB2 ARG 1 HB2 ARG 1 19.566 1.165 -5.713 6 HB3 ARG 1 HB1 ARG 1 18.765 1.526 -4.187 7 HG2 ARG 1 HG2 ARG 1 21.087 1.944 -3.211 8 HG3 ARG 1 HG1 ARG 1 21.690 1.891 -4.867 9 HD2 ARG 1 HD2 ARG 1 21.275 4.170 -4.692 10 HD3 ARG 1 HD1 ARG 1 19.677 3.637 -5.245 11 HE ARG 1 HE ARG 1 20.079 3.587 -2.318 12 HH11 ARG 1 HH11 ARG 1 20.223 6.422 -3.496 13 HH12 ARG 1 HH12 ARG 1 18.577 6.928 -3.332 14 HH21 ARG 1 HH21 ARG 1 17.374 3.700 -2.795 15 HH22 ARG 1 HH22 ARG 1 16.948 5.371 -2.932 16 H LEU 2 HN LEU 2 19.395 -2.726 -3.738 17 HA LEU 2 HA LEU 2 17.028 -2.167 -2.034 18 HB2 LEU 2 HB2 LEU 2 15.552 -3.416 -3.447 19 HB3 LEU 2 HB1 LEU 2 16.395 -2.275 -4.485 20 HG LEU 2 HG LEU 2 17.943 -4.698 -4.343 21 HD11 LEU 2 HD11 LEU 2 15.519 -5.518 -3.768 22 HD12 LEU 2 HD12 LEU 2 16.450 -6.377 -4.993 23 HD13 LEU 2 HD13 LEU 2 15.208 -5.223 -5.479 24 HD21 LEU 2 HD21 LEU 2 17.918 -2.993 -6.170 25 HD22 LEU 2 HD22 LEU 2 16.288 -3.511 -6.597 26 HD23 LEU 2 HD23 LEU 2 17.641 -4.627 -6.773 27 H VAL 3 HN VAL 3 16.070 -4.513 -1.432 28 HA VAL 3 HA VAL 3 17.936 -6.711 -1.249 29 HB VAL 3 HB VAL 3 19.076 -5.267 0.297 30 HG11 VAL 3 HG11 VAL 3 17.379 -3.629 0.802 31 HG12 VAL 3 HG12 VAL 3 17.904 -4.350 2.322 32 HG13 VAL 3 HG13 VAL 3 16.376 -4.841 1.596 33 HG21 VAL 3 HG21 VAL 3 18.808 -6.497 2.462 34 HG22 VAL 3 HG22 VAL 3 18.968 -7.562 1.067 35 HG23 VAL 3 HG23 VAL 3 17.383 -7.290 1.792 36 HA PRO 4 HA PRO 4 14.001 -8.619 -0.565 37 HB2 PRO 4 HB2 PRO 4 14.860 -11.115 0.125 38 HB3 PRO 4 HB1 PRO 4 14.897 -10.500 -1.540 39 HG2 PRO 4 HG2 PRO 4 17.103 -10.726 0.435 40 HG3 PRO 4 HG1 PRO 4 17.118 -10.995 -1.316 41 HD2 PRO 4 HD2 PRO 4 18.061 -8.726 -0.131 42 HD3 PRO 4 HD1 PRO 4 17.430 -8.782 -1.789 43 H GLY 5 HN GLY 5 12.652 -8.662 1.190 44 HA2 GLY 5 HA2 GLY 5 11.957 -9.162 3.417 45 HA3 GLY 5 HA1 GLY 5 13.640 -9.414 3.865 46 H ALA 6 HN ALA 6 14.847 -7.078 3.122 47 HA ALA 6 HA ALA 6 13.796 -5.178 5.112 48 HB1 ALA 6 HB1 ALA 6 16.103 -5.493 5.269 49 HB2 ALA 6 HB2 ALA 6 16.007 -4.006 4.327 50 HB3 ALA 6 HB3 ALA 6 16.311 -5.544 3.519 51 H ALA 7 HN ALA 7 14.399 -5.240 1.624 52 HA ALA 7 HA ALA 7 12.954 -2.626 1.358 53 HB1 ALA 7 HB1 ALA 7 14.314 -3.161 -1.017 54 HB2 ALA 7 HB2 ALA 7 15.383 -3.793 0.233 55 HB3 ALA 7 HB3 ALA 7 14.875 -2.108 0.282 56 H TYR 8 HN TYR 8 11.660 -5.323 1.537 57 HA TYR 8 HA TYR 8 10.463 -5.502 -1.206 58 HB2 TYR 8 HB2 TYR 8 11.237 -7.467 0.893 59 HB3 TYR 8 HB1 TYR 8 9.752 -7.815 0.018 60 HD1 TYR 8 HD1 TYR 8 12.856 -6.132 -1.268 61 HD2 TYR 8 HD2 TYR 8 10.341 -9.615 -1.384 62 HE1 TYR 8 HE1 TYR 8 14.163 -7.013 -3.176 63 HE2 TYR 8 HE2 TYR 8 11.652 -10.493 -3.293 64 HH TYR 8 HH TYR 8 13.266 -9.060 -5.232 65 H ALA 9 HN ALA 9 9.697 -5.924 2.237 66 HA ALA 9 HA ALA 9 6.832 -5.583 1.910 67 HB1 ALA 9 HB1 ALA 9 7.993 -6.806 3.787 68 HB2 ALA 9 HB2 ALA 9 6.850 -5.591 4.358 69 HB3 ALA 9 HB3 ALA 9 8.579 -5.248 4.374 70 H LEU 10 HN LEU 10 9.508 -3.539 2.964 71 HA LEU 10 HA LEU 10 8.077 -1.120 3.531 72 HB2 LEU 10 HB2 LEU 10 10.743 -2.087 3.455 73 HB3 LEU 10 HB1 LEU 10 10.713 -0.674 2.408 74 HG LEU 10 HG LEU 10 9.542 -0.663 5.199 75 HD11 LEU 10 HD11 LEU 10 11.593 0.272 6.004 76 HD12 LEU 10 HD12 LEU 10 12.249 0.413 4.374 77 HD13 LEU 10 HD13 LEU 10 12.038 -1.178 5.106 78 HD21 LEU 10 HD21 LEU 10 9.785 1.794 4.914 79 HD22 LEU 10 HD22 LEU 10 8.742 1.101 3.671 80 HD23 LEU 10 HD23 LEU 10 10.407 1.534 3.283 81 H TYR 11 HN TYR 11 9.517 -2.401 0.531 82 HA TYR 11 HA TYR 11 8.652 -0.034 -1.031 83 HB2 TYR 11 HB2 TYR 11 10.304 -2.507 -1.525 84 HB3 TYR 11 HB1 TYR 11 9.823 -1.459 -2.853 85 HD1 TYR 11 HD1 TYR 11 11.640 -1.542 0.394 86 HD2 TYR 11 HD2 TYR 11 10.919 0.630 -3.240 87 HE1 TYR 11 HE1 TYR 11 13.505 -0.009 0.945 88 HE2 TYR 11 HE2 TYR 11 12.784 2.166 -2.687 89 HH TYR 11 HH TYR 11 14.049 2.550 0.240 90 H GLY 12 HN GLY 12 6.921 -2.565 0.081 91 HA2 GLY 12 HA2 GLY 12 5.384 -2.871 -2.466 92 HA3 GLY 12 HA1 GLY 12 5.581 -4.192 -1.317 93 H VAL 13 HN VAL 13 5.025 -0.869 -0.242 94 HA VAL 13 HA VAL 13 2.268 -1.681 0.599 95 HB VAL 13 HB VAL 13 2.699 -0.153 2.587 96 HG11 VAL 13 HG11 VAL 13 4.183 -1.903 3.711 97 HG12 VAL 13 HG12 VAL 13 4.233 -2.713 2.146 98 HG13 VAL 13 HG13 VAL 13 2.693 -2.490 2.972 99 HG21 VAL 13 HG21 VAL 13 4.870 0.569 3.105 100 HG22 VAL 13 HG22 VAL 13 4.802 0.835 1.363 101 HG23 VAL 13 HG23 VAL 13 5.623 -0.586 2.007 102 H TRP 14 HN TRP 14 4.081 0.699 -1.104 103 HA TRP 14 HA TRP 14 2.533 3.040 -0.709 104 HB2 TRP 14 HB2 TRP 14 4.702 2.930 -1.876 105 HB3 TRP 14 HB1 TRP 14 3.970 2.036 -3.187 106 HD1 TRP 14 HD1 TRP 14 4.404 3.830 -5.012 107 HE1 TRP 14 HE1 TRP 14 3.406 6.154 -5.492 108 HE3 TRP 14 HE3 TRP 14 1.971 4.697 -0.594 109 HZ2 TRP 14 HZ2 TRP 14 1.793 8.119 -4.187 110 HZ3 TRP 14 HZ3 TRP 14 0.718 6.793 -0.247 111 HH2 TRP 14 HH2 TRP 14 0.623 8.509 -2.034 112 HA PRO 15 HA PRO 15 -0.289 1.672 -4.354 113 HB2 PRO 15 HB2 PRO 15 -0.181 -0.935 -5.179 114 HB3 PRO 15 HB1 PRO 15 0.807 0.355 -5.897 115 HG2 PRO 15 HG2 PRO 15 1.559 -1.698 -3.883 116 HG3 PRO 15 HG1 PRO 15 2.489 -1.062 -5.251 117 HD2 PRO 15 HD2 PRO 15 2.905 -0.279 -2.695 118 HD3 PRO 15 HD1 PRO 15 3.204 0.783 -4.086 119 H LEU 16 HN LEU 16 0.425 -0.538 -1.693 120 HA LEU 16 HA LEU 16 -2.154 -1.795 -1.465 121 HB2 LEU 16 HB2 LEU 16 0.353 -1.849 -0.178 122 HB3 LEU 16 HB1 LEU 16 -0.777 -1.321 1.064 123 HG LEU 16 HG LEU 16 -2.116 -3.404 -0.244 124 HD11 LEU 16 HD11 LEU 16 0.838 -3.978 0.071 125 HD12 LEU 16 HD12 LEU 16 -0.169 -4.222 -1.356 126 HD13 LEU 16 HD13 LEU 16 -0.376 -5.258 0.056 127 HD21 LEU 16 HD21 LEU 16 -0.482 -3.388 2.316 128 HD22 LEU 16 HD22 LEU 16 -1.681 -4.612 1.898 129 HD23 LEU 16 HD23 LEU 16 -2.181 -2.941 2.159 130 H LEU 17 HN LEU 17 -0.750 1.096 0.024 131 HA LEU 17 HA LEU 17 -3.087 1.884 1.529 132 HB2 LEU 17 HB2 LEU 17 -0.474 3.034 0.685 133 HB3 LEU 17 HB1 LEU 17 -1.734 4.212 1.046 134 HG LEU 17 HG LEU 17 -2.115 2.884 3.221 135 HD11 LEU 17 HD11 LEU 17 -0.790 0.896 2.479 136 HD12 LEU 17 HD12 LEU 17 -0.225 1.563 4.010 137 HD13 LEU 17 HD13 LEU 17 0.666 1.891 2.525 138 HD21 LEU 17 HD21 LEU 17 -0.353 4.126 4.360 139 HD22 LEU 17 HD22 LEU 17 -0.980 5.116 3.041 140 HD23 LEU 17 HD23 LEU 17 0.560 4.275 2.858 141 H LEU 18 HN LEU 18 -1.951 2.487 -1.743 142 HA LEU 18 HA LEU 18 -3.937 4.443 -2.513 143 HB2 LEU 18 HB2 LEU 18 -1.823 2.769 -3.718 144 HB3 LEU 18 HB1 LEU 18 -3.186 3.031 -4.801 145 HG LEU 18 HG LEU 18 -2.996 5.511 -4.226 146 HD11 LEU 18 HD11 LEU 18 -0.175 4.861 -3.410 147 HD12 LEU 18 HD12 LEU 18 -1.457 4.873 -2.198 148 HD13 LEU 18 HD13 LEU 18 -1.104 6.331 -3.123 149 HD21 LEU 18 HD21 LEU 18 -0.953 5.789 -5.722 150 HD22 LEU 18 HD22 LEU 18 -2.228 4.764 -6.377 151 HD23 LEU 18 HD23 LEU 18 -0.783 4.034 -5.677 152 H LEU 19 HN LEU 19 -3.705 0.889 -2.658 153 HA LEU 19 HA LEU 19 -6.212 0.361 -3.968 154 HB2 LEU 19 HB2 LEU 19 -3.993 -1.049 -2.985 155 HB3 LEU 19 HB1 LEU 19 -5.334 -1.633 -2.012 156 HG LEU 19 HG LEU 19 -6.465 -1.644 -4.502 157 HD11 LEU 19 HD11 LEU 19 -4.554 -1.104 -5.780 158 HD12 LEU 19 HD12 LEU 19 -4.635 -2.863 -5.876 159 HD13 LEU 19 HD13 LEU 19 -3.492 -2.092 -4.777 160 HD21 LEU 19 HD21 LEU 19 -4.797 -3.875 -3.284 161 HD22 LEU 19 HD22 LEU 19 -6.120 -4.073 -4.434 162 HD23 LEU 19 HD23 LEU 19 -6.449 -3.476 -2.807 163 H LEU 20 HN LEU 20 -5.218 0.660 -0.598 164 HA LEU 20 HA LEU 20 -7.776 0.066 0.623 165 HB2 LEU 20 HB2 LEU 20 -5.070 0.924 1.355 166 HB3 LEU 20 HB1 LEU 20 -6.287 1.704 2.350 167 HG LEU 20 HG LEU 20 -5.535 -0.410 3.361 168 HD11 LEU 20 HD11 LEU 20 -7.947 0.396 3.537 169 HD12 LEU 20 HD12 LEU 20 -7.682 -1.318 3.858 170 HD13 LEU 20 HD13 LEU 20 -8.340 -0.804 2.305 171 HD21 LEU 20 HD21 LEU 20 -6.831 -1.949 1.127 172 HD22 LEU 20 HD22 LEU 20 -5.604 -2.475 2.279 173 HD23 LEU 20 HD23 LEU 20 -5.162 -1.408 0.948 174 H LEU 21 HN LEU 21 -6.141 3.091 -0.346 175 HA LEU 21 HA LEU 21 -8.055 4.953 0.683 176 HB2 LEU 21 HB2 LEU 21 -5.728 5.446 -0.090 177 HB3 LEU 21 HB1 LEU 21 -6.249 5.149 -1.746 178 HG LEU 21 HG LEU 21 -8.021 7.034 -0.399 179 HD11 LEU 21 HD11 LEU 21 -6.477 8.883 -0.167 180 HD12 LEU 21 HD12 LEU 21 -5.137 7.898 -0.756 181 HD13 LEU 21 HD13 LEU 21 -5.874 7.542 0.807 182 HD21 LEU 21 HD21 LEU 21 -7.684 8.282 -2.441 183 HD22 LEU 21 HD22 LEU 21 -7.763 6.576 -2.878 184 HD23 LEU 21 HD23 LEU 21 -6.203 7.395 -2.802 185 H ALA 22 HN ALA 22 -7.811 3.253 -2.399 186 HA ALA 22 HA ALA 22 -10.398 4.420 -3.326 187 HB1 ALA 22 HB1 ALA 22 -9.643 3.456 -5.504 188 HB2 ALA 22 HB2 ALA 22 -8.215 2.808 -4.695 189 HB3 ALA 22 HB3 ALA 22 -8.447 4.553 -4.810 190 H LEU 23 HN LEU 23 -10.502 2.501 -1.173 191 HA LEU 23 HA LEU 23 -11.502 0.024 -2.500 192 HB2 LEU 23 HB2 LEU 23 -9.622 0.167 -0.677 193 HB3 LEU 23 HB1 LEU 23 -10.974 0.313 0.439 194 HG LEU 23 HG LEU 23 -11.201 -1.842 -1.591 195 HD11 LEU 23 HD11 LEU 23 -8.807 -1.969 -0.956 196 HD12 LEU 23 HD12 LEU 23 -9.720 -3.353 -0.356 197 HD13 LEU 23 HD13 LEU 23 -9.275 -2.047 0.742 198 HD21 LEU 23 HD21 LEU 23 -12.911 -1.583 0.116 199 HD22 LEU 23 HD22 LEU 23 -11.695 -1.594 1.394 200 HD23 LEU 23 HD23 LEU 23 -12.009 -3.058 0.464 201 HA PRO 24 HA PRO 24 -15.534 1.360 -1.172 202 HB2 PRO 24 HB2 PRO 24 -16.900 -0.764 -2.205 203 HB3 PRO 24 HB1 PRO 24 -16.247 0.552 -3.198 204 HG2 PRO 24 HG2 PRO 24 -15.323 -2.208 -2.926 205 HG3 PRO 24 HG1 PRO 24 -15.049 -1.046 -4.228 206 HD2 PRO 24 HD2 PRO 24 -13.253 -1.787 -2.145 207 HD3 PRO 24 HD1 PRO 24 -12.997 -0.570 -3.410 208 HA PRO 25 HA PRO 25 -15.703 -0.985 2.667 209 HB2 PRO 25 HB2 PRO 25 -17.720 0.443 3.831 210 HB3 PRO 25 HB1 PRO 25 -16.042 1.018 3.749 211 HG2 PRO 25 HG2 PRO 25 -18.370 1.755 2.054 212 HG3 PRO 25 HG1 PRO 25 -17.069 2.774 2.692 213 HD2 PRO 25 HD2 PRO 25 -17.138 1.893 0.128 214 HD3 PRO 25 HD1 PRO 25 -15.628 2.230 1.003 215 H ARG 26 HN ARG 26 -17.565 -2.062 3.948 216 HA ARG 26 HA ARG 26 -19.260 -3.571 2.075 217 HB2 ARG 26 HB2 ARG 26 -17.974 -4.001 4.535 218 HB3 ARG 26 HB1 ARG 26 -19.695 -4.055 4.908 219 HG2 ARG 26 HG2 ARG 26 -19.830 -6.113 4.027 220 HG3 ARG 26 HG1 ARG 26 -19.297 -5.489 2.469 221 HD2 ARG 26 HD2 ARG 26 -17.666 -7.129 3.000 222 HD3 ARG 26 HD1 ARG 26 -16.894 -5.612 3.502 223 HE ARG 26 HE ARG 26 -18.458 -7.227 5.478 224 HH11 ARG 26 HH21 ARG 26 -15.674 -8.205 5.206 225 HH12 ARG 26 HH22 ARG 26 -14.814 -7.249 6.364 226 HH21 ARG 26 HH11 ARG 26 -17.348 -4.862 6.637 227 HH22 ARG 26 HH12 ARG 26 -15.774 -5.332 7.184 228 H ALA 27 HN ALA 27 -19.686 -0.874 4.282 229 HA ALA 27 HA ALA 27 -21.518 0.507 4.708 230 HB1 ALA 27 HB1 ALA 27 -23.212 -1.120 2.833 231 HB2 ALA 27 HB2 ALA 27 -21.886 -0.162 2.172 232 HB3 ALA 27 HB3 ALA 27 -23.180 0.625 3.076 233 H TYR 28 HN TYR 28 -21.716 -0.299 6.836 234 HA TYR 28 HA TYR 28 -22.778 -1.354 8.647 235 HB2 TYR 28 HB2 TYR 28 -24.678 -0.170 7.852 236 HB3 TYR 28 HB1 TYR 28 -24.840 -1.193 6.437 237 HD1 TYR 28 HD2 TYR 28 -24.808 -1.580 10.185 238 HD2 TYR 28 HD1 TYR 28 -26.594 -2.668 6.434 239 HE1 TYR 28 HE2 TYR 28 -26.455 -2.991 11.375 240 HE2 TYR 28 HE1 TYR 28 -28.241 -4.077 7.618 241 HH TYR 28 HH TYR 28 -28.026 -5.307 10.291 242 H ALA 29 HN ALA 29 -20.980 -2.957 7.326 243 HA ALA 29 HA ALA 29 -21.938 -5.662 7.899 244 HB1 ALA 29 HB1 ALA 29 -22.874 -5.606 5.751 245 HB2 ALA 29 HB2 ALA 29 -21.291 -6.324 5.451 246 HB3 ALA 29 HB3 ALA 29 -21.565 -4.617 5.100 Start of MODEL 26 1 H1 ARG 1 HT1 ARG 1 17.238 -0.887 -5.473 2 H2 ARG 1 HT2 ARG 1 16.222 -1.074 -6.820 3 H3 ARG 1 HT3 ARG 1 17.886 -0.818 -7.039 4 HA ARG 1 HA ARG 1 17.412 -3.145 -7.413 5 HB2 ARG 1 HB2 ARG 1 19.051 -2.062 -5.219 6 HB3 ARG 1 HB1 ARG 1 18.705 -3.782 -5.049 7 HG2 ARG 1 HG2 ARG 1 19.637 -4.274 -7.208 8 HG3 ARG 1 HG1 ARG 1 19.756 -2.561 -7.614 9 HD2 ARG 1 HD2 ARG 1 21.549 -2.199 -6.118 10 HD3 ARG 1 HD1 ARG 1 21.209 -3.685 -5.210 11 HE ARG 1 HE ARG 1 22.291 -3.666 -8.007 12 HH11 ARG 1 HH21 ARG 1 24.200 -4.256 -5.824 13 HH12 ARG 1 HH22 ARG 1 24.159 -5.983 -5.726 14 HH21 ARG 1 HH11 ARG 1 21.173 -6.265 -7.504 15 HH22 ARG 1 HH12 ARG 1 22.427 -7.131 -6.686 16 H LEU 2 HN LEU 2 16.164 -4.946 -6.889 17 HA LEU 2 HA LEU 2 14.077 -4.595 -4.824 18 HB2 LEU 2 HB2 LEU 2 13.938 -5.485 -7.306 19 HB3 LEU 2 HB1 LEU 2 14.410 -7.017 -6.572 20 HG LEU 2 HG LEU 2 12.424 -6.052 -4.865 21 HD11 LEU 2 HD11 LEU 2 11.506 -5.706 -7.731 22 HD12 LEU 2 HD12 LEU 2 11.922 -4.359 -6.672 23 HD13 LEU 2 HD13 LEU 2 10.570 -5.415 -6.266 24 HD21 LEU 2 HD21 LEU 2 11.111 -7.916 -5.759 25 HD22 LEU 2 HD22 LEU 2 12.805 -8.394 -5.648 26 HD23 LEU 2 HD23 LEU 2 12.111 -7.957 -7.211 27 H VAL 3 HN VAL 3 15.726 -4.773 -3.021 28 HA VAL 3 HA VAL 3 16.916 -7.431 -2.588 29 HB VAL 3 HB VAL 3 17.743 -6.338 -0.457 30 HG11 VAL 3 HG11 VAL 3 18.980 -6.406 -2.650 31 HG12 VAL 3 HG12 VAL 3 19.430 -5.070 -1.592 32 HG13 VAL 3 HG13 VAL 3 18.372 -4.782 -2.973 33 HG21 VAL 3 HG21 VAL 3 15.762 -4.569 -0.652 34 HG22 VAL 3 HG22 VAL 3 16.942 -3.694 -1.629 35 HG23 VAL 3 HG23 VAL 3 17.315 -4.110 0.043 36 HA PRO 4 HA PRO 4 13.583 -9.126 -0.274 37 HB2 PRO 4 HB2 PRO 4 14.966 -10.966 1.200 38 HB3 PRO 4 HB1 PRO 4 14.614 -11.167 -0.530 39 HG2 PRO 4 HG2 PRO 4 17.115 -10.222 0.785 40 HG3 PRO 4 HG1 PRO 4 16.910 -11.332 -0.582 41 HD2 PRO 4 HD2 PRO 4 17.605 -8.756 -0.928 42 HD3 PRO 4 HD1 PRO 4 16.590 -9.632 -2.098 43 H GLY 5 HN GLY 5 12.845 -7.530 1.131 44 HA2 GLY 5 HA2 GLY 5 12.589 -7.436 3.692 45 HA3 GLY 5 HA1 GLY 5 14.323 -7.100 3.692 46 H ALA 6 HN ALA 6 14.930 -5.251 2.105 47 HA ALA 6 HA ALA 6 13.463 -2.870 2.922 48 HB1 ALA 6 HB1 ALA 6 15.544 -2.847 0.775 49 HB2 ALA 6 HB2 ALA 6 16.028 -3.340 2.398 50 HB3 ALA 6 HB3 ALA 6 15.328 -1.743 2.132 51 H ALA 7 HN ALA 7 13.668 -4.808 -0.006 52 HA ALA 7 HA ALA 7 11.799 -2.931 -1.406 53 HB1 ALA 7 HB1 ALA 7 14.063 -3.611 -2.373 54 HB2 ALA 7 HB2 ALA 7 12.680 -3.900 -3.427 55 HB3 ALA 7 HB3 ALA 7 13.407 -5.238 -2.542 56 H TYR 8 HN TYR 8 10.970 -4.856 0.698 57 HA TYR 8 HA TYR 8 9.153 -6.615 -0.907 58 HB2 TYR 8 HB2 TYR 8 10.952 -7.099 1.398 59 HB3 TYR 8 HB1 TYR 8 9.340 -7.783 1.573 60 HD1 TYR 8 HD2 TYR 8 11.868 -7.421 -1.206 61 HD2 TYR 8 HD1 TYR 8 9.132 -9.984 0.893 62 HE1 TYR 8 HE2 TYR 8 12.483 -9.300 -2.698 63 HE2 TYR 8 HE1 TYR 8 9.747 -11.861 -0.601 64 HH TYR 8 HH TYR 8 11.126 -11.573 -3.446 65 H ALA 9 HN ALA 9 9.512 -5.265 2.367 66 HA ALA 9 HA ALA 9 6.697 -5.048 2.912 67 HB1 ALA 9 HB1 ALA 9 8.965 -3.400 4.069 68 HB2 ALA 9 HB2 ALA 9 8.617 -5.055 4.569 69 HB3 ALA 9 HB3 ALA 9 7.429 -3.783 4.846 70 H LEU 10 HN LEU 10 9.084 -2.809 1.602 71 HA LEU 10 HA LEU 10 7.507 -0.422 1.444 72 HB2 LEU 10 HB2 LEU 10 10.086 -1.266 0.806 73 HB3 LEU 10 HB1 LEU 10 9.392 -0.926 -0.769 74 HG LEU 10 HG LEU 10 10.473 1.079 0.108 75 HD11 LEU 10 HD11 LEU 10 8.727 2.613 -0.300 76 HD12 LEU 10 HD12 LEU 10 7.508 1.550 0.402 77 HD13 LEU 10 HD13 LEU 10 8.224 1.158 -1.162 78 HD21 LEU 10 HD21 LEU 10 10.117 0.388 2.540 79 HD22 LEU 10 HD22 LEU 10 8.476 1.021 2.384 80 HD23 LEU 10 HD23 LEU 10 9.859 2.097 2.184 81 H TYR 11 HN TYR 11 7.996 -3.110 -0.836 82 HA TYR 11 HA TYR 11 6.338 -2.056 -2.951 83 HB2 TYR 11 HB2 TYR 11 7.553 -4.713 -2.230 84 HB3 TYR 11 HB1 TYR 11 6.458 -4.586 -3.605 85 HD1 TYR 11 HD1 TYR 11 9.475 -2.879 -2.143 86 HD2 TYR 11 HD2 TYR 11 7.324 -3.994 -5.691 87 HE1 TYR 11 HE1 TYR 11 11.314 -1.987 -3.534 88 HE2 TYR 11 HE2 TYR 11 9.170 -3.099 -7.083 89 HH TYR 11 HH TYR 11 11.116 -1.137 -6.517 90 H GLY 12 HN GLY 12 5.673 -3.902 -0.062 91 HA2 GLY 12 HA2 GLY 12 2.897 -4.481 -0.929 92 HA3 GLY 12 HA1 GLY 12 3.683 -5.136 0.502 93 H VAL 13 HN VAL 13 4.456 -1.898 0.595 94 HA VAL 13 HA VAL 13 2.085 -1.321 2.310 95 HB VAL 13 HB VAL 13 4.452 -1.503 3.264 96 HG11 VAL 13 HG11 VAL 13 5.301 0.036 1.277 97 HG12 VAL 13 HG12 VAL 13 6.043 0.132 2.872 98 HG13 VAL 13 HG13 VAL 13 4.847 1.332 2.383 99 HG21 VAL 13 HG21 VAL 13 4.100 0.488 4.740 100 HG22 VAL 13 HG22 VAL 13 2.656 -0.505 4.542 101 HG23 VAL 13 HG23 VAL 13 2.812 1.013 3.655 102 H TRP 14 HN TRP 14 3.922 -0.110 -0.419 103 HA TRP 14 HA TRP 14 2.870 2.570 -0.410 104 HB2 TRP 14 HB2 TRP 14 4.922 1.824 -1.589 105 HB3 TRP 14 HB1 TRP 14 3.939 0.895 -2.699 106 HD1 TRP 14 HD1 TRP 14 4.464 2.242 -4.843 107 HE1 TRP 14 HE1 TRP 14 3.890 4.618 -5.648 108 HE3 TRP 14 HE3 TRP 14 2.778 4.294 -0.466 109 HZ2 TRP 14 HZ2 TRP 14 2.856 7.062 -4.590 110 HZ3 TRP 14 HZ3 TRP 14 2.007 6.640 -0.403 111 HH2 TRP 14 HH2 TRP 14 2.043 8.029 -2.454 112 HA PRO 15 HA PRO 15 -0.356 1.053 -3.610 113 HB2 PRO 15 HB2 PRO 15 -0.729 -1.634 -3.950 114 HB3 PRO 15 HB1 PRO 15 0.416 -0.683 -4.917 115 HG2 PRO 15 HG2 PRO 15 0.934 -2.465 -2.597 116 HG3 PRO 15 HG1 PRO 15 1.881 -2.227 -4.074 117 HD2 PRO 15 HD2 PRO 15 2.533 -1.117 -1.685 118 HD3 PRO 15 HD1 PRO 15 2.966 -0.390 -3.246 119 H LEU 16 HN LEU 16 0.114 -0.925 -0.690 120 HA LEU 16 HA LEU 16 -2.659 -1.507 -0.194 121 HB2 LEU 16 HB2 LEU 16 -0.067 -1.618 1.239 122 HB3 LEU 16 HB1 LEU 16 -1.479 -1.465 2.278 123 HG LEU 16 HG LEU 16 -0.899 -3.830 1.892 124 HD11 LEU 16 HD11 LEU 16 -3.091 -4.586 1.509 125 HD12 LEU 16 HD12 LEU 16 -3.435 -3.300 0.355 126 HD13 LEU 16 HD13 LEU 16 -3.327 -2.934 2.077 127 HD21 LEU 16 HD21 LEU 16 0.081 -3.514 -0.388 128 HD22 LEU 16 HD22 LEU 16 -1.544 -3.261 -1.021 129 HD23 LEU 16 HD23 LEU 16 -1.099 -4.822 -0.333 130 H LEU 17 HN LEU 17 -0.551 1.152 0.856 131 HA LEU 17 HA LEU 17 -2.518 2.516 2.468 132 HB2 LEU 17 HB2 LEU 17 0.140 2.790 2.058 133 HB3 LEU 17 HB1 LEU 17 -0.431 4.045 0.958 134 HG LEU 17 HG LEU 17 -1.577 3.940 3.728 135 HD11 LEU 17 HD11 LEU 17 0.782 3.788 4.205 136 HD12 LEU 17 HD12 LEU 17 0.304 5.468 4.448 137 HD13 LEU 17 HD13 LEU 17 1.163 4.999 2.980 138 HD21 LEU 17 HD21 LEU 17 -2.390 5.526 1.952 139 HD22 LEU 17 HD22 LEU 17 -0.779 6.241 1.912 140 HD23 LEU 17 HD23 LEU 17 -1.752 6.346 3.377 141 H LEU 18 HN LEU 18 -1.598 2.684 -0.929 142 HA LEU 18 HA LEU 18 -3.352 4.819 -1.751 143 HB2 LEU 18 HB2 LEU 18 -1.569 2.795 -2.889 144 HB3 LEU 18 HB1 LEU 18 -3.002 2.998 -3.888 145 HG LEU 18 HG LEU 18 -2.590 5.498 -3.804 146 HD11 LEU 18 HD11 LEU 18 -0.494 6.331 -3.028 147 HD12 LEU 18 HD12 LEU 18 0.173 4.709 -2.854 148 HD13 LEU 18 HD13 LEU 18 -1.077 5.273 -1.743 149 HD21 LEU 18 HD21 LEU 18 -1.954 4.252 -5.784 150 HD22 LEU 18 HD22 LEU 18 -0.489 3.663 -4.999 151 HD23 LEU 18 HD23 LEU 18 -0.643 5.371 -5.409 152 H LEU 19 HN LEU 19 -3.673 1.278 -1.547 153 HA LEU 19 HA LEU 19 -6.353 1.065 -2.590 154 HB2 LEU 19 HB2 LEU 19 -4.263 -0.593 -1.440 155 HB3 LEU 19 HB1 LEU 19 -5.823 -1.044 -0.777 156 HG LEU 19 HG LEU 19 -5.284 -2.332 -2.818 157 HD11 LEU 19 HD11 LEU 19 -7.398 -2.074 -3.903 158 HD12 LEU 19 HD12 LEU 19 -7.522 -0.384 -3.412 159 HD13 LEU 19 HD13 LEU 19 -7.658 -1.665 -2.208 160 HD21 LEU 19 HD21 LEU 19 -5.601 0.189 -4.434 161 HD22 LEU 19 HD22 LEU 19 -4.860 -1.342 -4.898 162 HD23 LEU 19 HD23 LEU 19 -4.017 -0.253 -3.799 163 H LEU 20 HN LEU 20 -4.988 1.672 0.576 164 HA LEU 20 HA LEU 20 -7.465 1.381 2.094 165 HB2 LEU 20 HB2 LEU 20 -4.622 1.893 2.512 166 HB3 LEU 20 HB1 LEU 20 -5.590 2.980 3.493 167 HG LEU 20 HG LEU 20 -5.072 0.904 4.708 168 HD11 LEU 20 HD11 LEU 20 -7.303 2.131 4.963 169 HD12 LEU 20 HD12 LEU 20 -7.259 0.460 5.525 170 HD13 LEU 20 HD13 LEU 20 -8.002 0.848 3.975 171 HD21 LEU 20 HD21 LEU 20 -5.641 -1.239 3.939 172 HD22 LEU 20 HD22 LEU 20 -5.093 -0.443 2.464 173 HD23 LEU 20 HD23 LEU 20 -6.818 -0.619 2.782 174 H LEU 21 HN LEU 21 -5.576 4.103 0.733 175 HA LEU 21 HA LEU 21 -7.169 6.256 1.745 176 HB2 LEU 21 HB2 LEU 21 -4.855 6.297 0.648 177 HB3 LEU 21 HB1 LEU 21 -5.686 6.139 -0.897 178 HG LEU 21 HG LEU 21 -6.794 8.256 0.830 179 HD11 LEU 21 HD11 LEU 21 -4.962 9.820 0.532 180 HD12 LEU 21 HD12 LEU 21 -4.022 8.615 -0.347 181 HD13 LEU 21 HD13 LEU 21 -4.350 8.396 1.372 182 HD21 LEU 21 HD21 LEU 21 -5.688 8.387 -1.991 183 HD22 LEU 21 HD22 LEU 21 -6.894 9.442 -1.255 184 HD23 LEU 21 HD23 LEU 21 -7.298 7.768 -1.625 185 H ALA 22 HN ALA 22 -7.268 4.477 -1.310 186 HA ALA 22 HA ALA 22 -9.999 5.575 -1.892 187 HB1 ALA 22 HB1 ALA 22 -9.419 5.026 -4.225 188 HB2 ALA 22 HB2 ALA 22 -7.919 4.267 -3.690 189 HB3 ALA 22 HB3 ALA 22 -8.138 6.008 -3.514 190 H LEU 23 HN LEU 23 -9.958 3.642 0.035 191 HA LEU 23 HA LEU 23 -10.013 0.937 -0.899 192 HB2 LEU 23 HB2 LEU 23 -10.468 0.427 1.315 193 HB3 LEU 23 HB1 LEU 23 -9.721 2.003 1.471 194 HG LEU 23 HG LEU 23 -12.722 1.761 1.232 195 HD11 LEU 23 HD11 LEU 23 -11.235 1.739 3.860 196 HD12 LEU 23 HD12 LEU 23 -11.808 0.262 3.083 197 HD13 LEU 23 HD13 LEU 23 -12.960 1.499 3.582 198 HD21 LEU 23 HD21 LEU 23 -12.312 3.807 2.879 199 HD22 LEU 23 HD22 LEU 23 -12.145 4.013 1.137 200 HD23 LEU 23 HD23 LEU 23 -10.712 3.796 2.139 201 HA PRO 24 HA PRO 24 -14.110 0.868 -2.593 202 HB2 PRO 24 HB2 PRO 24 -14.057 -1.764 -3.321 203 HB3 PRO 24 HB1 PRO 24 -13.158 -0.503 -4.184 204 HG2 PRO 24 HG2 PRO 24 -12.170 -2.628 -2.451 205 HG3 PRO 24 HG1 PRO 24 -11.312 -1.661 -3.656 206 HD2 PRO 24 HD2 PRO 24 -11.312 -1.352 -0.805 207 HD3 PRO 24 HD1 PRO 24 -10.423 -0.403 -2.018 208 HA PRO 25 HA PRO 25 -16.820 -0.978 0.411 209 HB2 PRO 25 HB2 PRO 25 -18.793 -2.168 -1.062 210 HB3 PRO 25 HB1 PRO 25 -18.620 -0.408 -0.912 211 HG2 PRO 25 HG2 PRO 25 -17.836 -2.197 -3.144 212 HG3 PRO 25 HG1 PRO 25 -18.504 -0.557 -3.187 213 HD2 PRO 25 HD2 PRO 25 -15.865 -1.147 -3.568 214 HD3 PRO 25 HD1 PRO 25 -16.462 0.419 -2.977 215 H ARG 26 HN ARG 26 -18.263 -3.333 0.564 216 HA ARG 26 HA ARG 26 -16.167 -5.357 0.889 217 HB2 ARG 26 HB2 ARG 26 -19.017 -4.944 1.635 218 HB3 ARG 26 HB1 ARG 26 -18.509 -6.621 1.456 219 HG2 ARG 26 HG2 ARG 26 -17.847 -6.374 3.623 220 HG3 ARG 26 HG1 ARG 26 -16.415 -5.663 2.884 221 HD2 ARG 26 HD2 ARG 26 -18.548 -3.685 3.155 222 HD3 ARG 26 HD1 ARG 26 -18.105 -4.394 4.720 223 HE ARG 26 HE ARG 26 -16.304 -2.848 2.960 224 HH11 ARG 26 HH11 ARG 26 -16.656 -2.480 5.964 225 HH12 ARG 26 HH12 ARG 26 -15.183 -3.159 6.566 226 HH21 ARG 26 HH21 ARG 26 -14.429 -4.812 3.590 227 HH22 ARG 26 HH22 ARG 26 -13.908 -4.490 5.207 228 H ALA 27 HN ALA 27 -19.360 -5.566 -0.776 229 HA ALA 27 HA ALA 27 -18.070 -6.839 -3.127 230 HB1 ALA 27 HB1 ALA 27 -19.503 -8.851 -2.867 231 HB2 ALA 27 HB2 ALA 27 -20.117 -8.203 -1.346 232 HB3 ALA 27 HB3 ALA 27 -18.416 -8.646 -1.493 233 H TYR 28 HN TYR 28 -19.120 -4.489 -3.523 234 HA TYR 28 HA TYR 28 -21.877 -4.938 -4.623 235 HB2 TYR 28 HB2 TYR 28 -20.903 -3.096 -2.604 236 HB3 TYR 28 HB1 TYR 28 -21.566 -2.206 -3.973 237 HD1 TYR 28 HD1 TYR 28 -22.341 -5.027 -1.631 238 HD2 TYR 28 HD2 TYR 28 -23.890 -1.981 -4.236 239 HE1 TYR 28 HE1 TYR 28 -24.641 -5.533 -0.857 240 HE2 TYR 28 HE2 TYR 28 -26.189 -2.489 -3.462 241 HH TYR 28 HH TYR 28 -27.033 -3.768 -0.920 242 H ALA 29 HN ALA 29 -19.072 -2.692 -4.774 243 HA ALA 29 HA ALA 29 -19.251 -2.740 -7.755 244 HB1 ALA 29 HB1 ALA 29 -19.149 -0.318 -5.929 245 HB2 ALA 29 HB2 ALA 29 -20.485 -0.788 -6.980 246 HB3 ALA 29 HB3 ALA 29 -18.961 -0.248 -7.681 Start of MODEL 27 1 H1 ARG 1 HT1 ARG 1 27.748 -1.991 3.806 2 H2 ARG 1 HT2 ARG 1 28.141 -3.234 2.720 3 H3 ARG 1 HT3 ARG 1 27.749 -3.601 4.333 4 HA ARG 1 HA ARG 1 25.843 -2.296 2.461 5 HB2 ARG 1 HB2 ARG 1 24.869 -4.650 2.319 6 HB3 ARG 1 HB1 ARG 1 26.380 -4.394 1.458 7 HG2 ARG 1 HG2 ARG 1 27.567 -5.771 2.859 8 HG3 ARG 1 HG1 ARG 1 26.616 -5.333 4.277 9 HD2 ARG 1 HD2 ARG 1 24.694 -6.627 2.917 10 HD3 ARG 1 HD1 ARG 1 26.108 -7.464 2.245 11 HE ARG 1 HE ARG 1 26.758 -8.101 4.520 12 HH11 ARG 1 HH11 ARG 1 25.533 -5.962 6.138 13 HH12 ARG 1 HH12 ARG 1 24.136 -6.729 6.815 14 HH21 ARG 1 HH21 ARG 1 24.167 -9.363 4.528 15 HH22 ARG 1 HH22 ARG 1 23.354 -8.676 5.892 16 H LEU 2 HN LEU 2 24.137 -1.507 3.596 17 HA LEU 2 HA LEU 2 23.303 -2.818 6.148 18 HB2 LEU 2 HB2 LEU 2 24.309 -0.019 5.696 19 HB3 LEU 2 HB1 LEU 2 23.114 -0.312 6.956 20 HG LEU 2 HG LEU 2 25.061 -2.351 7.236 21 HD11 LEU 2 HD11 LEU 2 26.353 0.387 7.115 22 HD12 LEU 2 HD12 LEU 2 26.502 -0.816 5.835 23 HD13 LEU 2 HD13 LEU 2 27.142 -1.155 7.443 24 HD21 LEU 2 HD21 LEU 2 24.453 0.189 8.778 25 HD22 LEU 2 HD22 LEU 2 25.536 -1.068 9.374 26 HD23 LEU 2 HD23 LEU 2 23.832 -1.431 9.097 27 H VAL 3 HN VAL 3 21.559 -3.473 4.511 28 HA VAL 3 HA VAL 3 19.419 -1.394 4.469 29 HB VAL 3 HB VAL 3 18.865 -2.296 2.118 30 HG11 VAL 3 HG11 VAL 3 19.792 -0.052 2.561 31 HG12 VAL 3 HG12 VAL 3 20.415 -0.728 1.057 32 HG13 VAL 3 HG13 VAL 3 21.423 -0.721 2.504 33 HG21 VAL 3 HG21 VAL 3 21.802 -3.012 2.059 34 HG22 VAL 3 HG22 VAL 3 20.561 -3.371 0.858 35 HG23 VAL 3 HG23 VAL 3 20.571 -4.229 2.398 36 HA PRO 4 HA PRO 4 17.316 -5.043 5.991 37 HB2 PRO 4 HB2 PRO 4 14.971 -3.809 6.652 38 HB3 PRO 4 HB1 PRO 4 16.434 -3.684 7.647 39 HG2 PRO 4 HG2 PRO 4 15.232 -1.710 5.815 40 HG3 PRO 4 HG1 PRO 4 16.171 -1.461 7.293 41 HD2 PRO 4 HD2 PRO 4 17.119 -1.190 4.692 42 HD3 PRO 4 HD1 PRO 4 18.116 -1.339 6.154 43 H GLY 5 HN GLY 5 17.260 -5.910 3.744 44 HA2 GLY 5 HA2 GLY 5 15.983 -6.854 1.987 45 HA3 GLY 5 HA1 GLY 5 14.561 -6.106 2.700 46 H ALA 6 HN ALA 6 17.032 -3.817 2.205 47 HA ALA 6 HA ALA 6 17.194 -1.967 0.787 48 HB1 ALA 6 HB1 ALA 6 18.060 -3.815 -0.610 49 HB2 ALA 6 HB2 ALA 6 17.247 -2.597 -1.593 50 HB3 ALA 6 HB3 ALA 6 16.432 -4.114 -1.217 51 H ALA 7 HN ALA 7 14.590 -2.300 2.073 52 HA ALA 7 HA ALA 7 12.380 -1.517 1.960 53 HB1 ALA 7 HB1 ALA 7 13.225 0.621 1.707 54 HB2 ALA 7 HB2 ALA 7 12.318 0.486 0.202 55 HB3 ALA 7 HB3 ALA 7 14.060 0.232 0.204 56 H TYR 8 HN TYR 8 12.339 -3.865 0.760 57 HA TYR 8 HA TYR 8 11.138 -3.545 -1.961 58 HB2 TYR 8 HB2 TYR 8 12.891 -5.449 -0.634 59 HB3 TYR 8 HB1 TYR 8 11.499 -6.265 -1.332 60 HD1 TYR 8 HD2 TYR 8 11.066 -6.179 -3.755 61 HD2 TYR 8 HD1 TYR 8 14.524 -4.305 -2.028 62 HE1 TYR 8 HE2 TYR 8 12.084 -5.987 -6.005 63 HE2 TYR 8 HE1 TYR 8 15.544 -4.112 -4.281 64 HH TYR 8 HH TYR 8 14.919 -5.747 -6.728 65 H ALA 9 HN ALA 9 10.668 -5.522 0.958 66 HA ALA 9 HA ALA 9 7.938 -6.245 0.411 67 HB1 ALA 9 HB1 ALA 9 9.418 -6.057 3.053 68 HB2 ALA 9 HB2 ALA 9 9.500 -7.436 1.954 69 HB3 ALA 9 HB3 ALA 9 7.976 -7.022 2.742 70 H LEU 10 HN LEU 10 9.408 -3.686 2.330 71 HA LEU 10 HA LEU 10 7.113 -2.495 3.523 72 HB2 LEU 10 HB2 LEU 10 9.787 -2.103 3.572 73 HB3 LEU 10 HB1 LEU 10 9.336 -0.774 2.514 74 HG LEU 10 HG LEU 10 7.896 -1.246 5.125 75 HD11 LEU 10 HD11 LEU 10 10.530 0.128 4.612 76 HD12 LEU 10 HD12 LEU 10 10.096 -0.981 5.914 77 HD13 LEU 10 HD13 LEU 10 9.472 0.668 5.916 78 HD21 LEU 10 HD21 LEU 10 6.773 0.284 3.646 79 HD22 LEU 10 HD22 LEU 10 8.282 1.100 3.241 80 HD23 LEU 10 HD23 LEU 10 7.591 1.273 4.854 81 H TYR 11 HN TYR 11 8.746 -1.771 0.432 82 HA TYR 11 HA TYR 11 6.875 0.264 -0.411 83 HB2 TYR 11 HB2 TYR 11 9.202 -1.219 -1.499 84 HB3 TYR 11 HB1 TYR 11 8.112 -0.507 -2.686 85 HD1 TYR 11 HD1 TYR 11 9.970 0.325 0.462 86 HD2 TYR 11 HD2 TYR 11 8.257 1.778 -3.200 87 HE1 TYR 11 HE1 TYR 11 10.940 2.564 0.895 88 HE2 TYR 11 HE2 TYR 11 9.230 4.014 -2.767 89 HH TYR 11 HH TYR 11 11.601 4.671 -0.968 90 H GLY 12 HN GLY 12 6.437 -3.094 -0.259 91 HA2 GLY 12 HA2 GLY 12 4.682 -3.229 -2.639 92 HA3 GLY 12 HA1 GLY 12 5.142 -4.589 -1.615 93 H VAL 13 HN VAL 13 4.502 -3.551 0.919 94 HA VAL 13 HA VAL 13 1.595 -3.859 0.895 95 HB VAL 13 HB VAL 13 1.825 -3.895 3.325 96 HG11 VAL 13 HG11 VAL 13 2.611 -5.840 1.791 97 HG12 VAL 13 HG12 VAL 13 3.057 -5.880 3.496 98 HG13 VAL 13 HG13 VAL 13 4.236 -5.370 2.289 99 HG21 VAL 13 HG21 VAL 13 4.717 -3.092 2.829 100 HG22 VAL 13 HG22 VAL 13 4.036 -3.550 4.389 101 HG23 VAL 13 HG23 VAL 13 3.481 -2.084 3.583 102 H TRP 14 HN TRP 14 3.787 -1.150 1.181 103 HA TRP 14 HA TRP 14 2.114 0.752 2.456 104 HB2 TRP 14 HB2 TRP 14 4.539 0.981 1.975 105 HB3 TRP 14 HB1 TRP 14 4.176 1.178 0.276 106 HD1 TRP 14 HD1 TRP 14 5.111 3.606 0.156 107 HE1 TRP 14 HE1 TRP 14 4.227 5.876 0.985 108 HE3 TRP 14 HE3 TRP 14 1.460 2.032 3.384 109 HZ2 TRP 14 HZ2 TRP 14 2.246 6.897 2.772 110 HZ3 TRP 14 HZ3 TRP 14 0.100 3.671 4.627 111 HH2 TRP 14 HH2 TRP 14 0.484 6.103 4.329 112 HA PRO 15 HA PRO 15 0.463 2.113 -1.848 113 HB2 PRO 15 HB2 PRO 15 0.829 0.435 -3.978 114 HB3 PRO 15 HB1 PRO 15 1.967 1.729 -3.551 115 HG2 PRO 15 HG2 PRO 15 2.136 -1.187 -2.990 116 HG3 PRO 15 HG1 PRO 15 3.409 -0.052 -3.472 117 HD2 PRO 15 HD2 PRO 15 3.076 -0.899 -0.926 118 HD3 PRO 15 HD1 PRO 15 3.746 0.695 -1.327 119 H LEU 16 HN LEU 16 0.433 -1.307 -0.938 120 HA LEU 16 HA LEU 16 -2.115 -1.996 -2.085 121 HB2 LEU 16 HB2 LEU 16 -0.113 -3.118 -0.259 122 HB3 LEU 16 HB1 LEU 16 -1.755 -3.563 0.197 123 HG LEU 16 HG LEU 16 -2.164 -4.322 -2.146 124 HD11 LEU 16 HD11 LEU 16 -0.680 -3.976 -3.814 125 HD12 LEU 16 HD12 LEU 16 0.671 -4.538 -2.832 126 HD13 LEU 16 HD13 LEU 16 0.139 -2.862 -2.721 127 HD21 LEU 16 HD21 LEU 16 -0.755 -6.364 -1.972 128 HD22 LEU 16 HD22 LEU 16 -1.484 -5.936 -0.424 129 HD23 LEU 16 HD23 LEU 16 0.214 -5.571 -0.730 130 H LEU 17 HN LEU 17 -1.165 -0.719 1.079 131 HA LEU 17 HA LEU 17 -3.825 -0.676 2.228 132 HB2 LEU 17 HB2 LEU 17 -1.248 -0.268 3.120 133 HB3 LEU 17 HB1 LEU 17 -1.848 1.384 3.058 134 HG LEU 17 HG LEU 17 -2.248 0.470 5.274 135 HD11 LEU 17 HD11 LEU 17 -4.923 0.418 3.875 136 HD12 LEU 17 HD12 LEU 17 -4.018 1.913 4.111 137 HD13 LEU 17 HD13 LEU 17 -4.552 0.976 5.506 138 HD21 LEU 17 HD21 LEU 17 -3.830 -1.707 3.870 139 HD22 LEU 17 HD22 LEU 17 -3.646 -1.517 5.613 140 HD23 LEU 17 HD23 LEU 17 -2.248 -1.924 4.619 141 H LEU 18 HN LEU 18 -1.868 1.602 0.388 142 HA LEU 18 HA LEU 18 -3.651 3.864 0.458 143 HB2 LEU 18 HB2 LEU 18 -1.207 2.971 -0.884 144 HB3 LEU 18 HB1 LEU 18 -2.241 3.872 -1.985 145 HG LEU 18 HG LEU 18 -2.406 5.687 -0.260 146 HD11 LEU 18 HD11 LEU 18 -0.401 3.899 1.135 147 HD12 LEU 18 HD12 LEU 18 -1.929 4.507 1.772 148 HD13 LEU 18 HD13 LEU 18 -0.578 5.611 1.516 149 HD21 LEU 18 HD21 LEU 18 0.437 4.980 -1.051 150 HD22 LEU 18 HD22 LEU 18 -0.183 6.590 -0.692 151 HD23 LEU 18 HD23 LEU 18 -0.736 5.734 -2.130 152 H LEU 19 HN LEU 19 -3.286 1.058 -1.710 153 HA LEU 19 HA LEU 19 -5.336 1.761 -3.611 154 HB2 LEU 19 HB2 LEU 19 -3.404 -0.241 -3.216 155 HB3 LEU 19 HB1 LEU 19 -4.939 -1.097 -3.149 156 HG LEU 19 HG LEU 19 -4.521 0.905 -5.336 157 HD11 LEU 19 HD11 LEU 19 -3.541 -1.950 -5.550 158 HD12 LEU 19 HD12 LEU 19 -2.466 -0.607 -5.160 159 HD13 LEU 19 HD13 LEU 19 -3.317 -0.634 -6.704 160 HD21 LEU 19 HD21 LEU 19 -6.441 -1.075 -4.602 161 HD22 LEU 19 HD22 LEU 19 -5.679 -1.616 -6.097 162 HD23 LEU 19 HD23 LEU 19 -6.452 -0.033 -6.024 163 H LEU 20 HN LEU 20 -5.249 -0.179 -0.665 164 HA LEU 20 HA LEU 20 -7.944 -1.134 -0.609 165 HB2 LEU 20 HB2 LEU 20 -5.620 -0.842 1.172 166 HB3 LEU 20 HB1 LEU 20 -7.143 -0.734 2.041 167 HG LEU 20 HG LEU 20 -6.657 -2.937 0.043 168 HD11 LEU 20 HD11 LEU 20 -5.901 -2.897 2.981 169 HD12 LEU 20 HD12 LEU 20 -4.798 -3.065 1.615 170 HD13 LEU 20 HD13 LEU 20 -5.951 -4.349 1.980 171 HD21 LEU 20 HD21 LEU 20 -8.348 -2.817 2.562 172 HD22 LEU 20 HD22 LEU 20 -8.378 -4.072 1.324 173 HD23 LEU 20 HD23 LEU 20 -8.963 -2.452 0.949 174 H LEU 21 HN LEU 21 -6.467 1.894 0.561 175 HA LEU 21 HA LEU 21 -8.780 2.996 1.849 176 HB2 LEU 21 HB2 LEU 21 -6.207 3.618 1.799 177 HB3 LEU 21 HB1 LEU 21 -6.686 4.646 0.457 178 HG LEU 21 HG LEU 21 -6.654 5.801 2.685 179 HD11 LEU 21 HD11 LEU 21 -9.511 5.814 1.839 180 HD12 LEU 21 HD12 LEU 21 -8.301 6.222 0.622 181 HD13 LEU 21 HD13 LEU 21 -8.407 7.162 2.110 182 HD21 LEU 21 HD21 LEU 21 -9.147 4.191 3.290 183 HD22 LEU 21 HD22 LEU 21 -8.278 5.289 4.362 184 HD23 LEU 21 HD23 LEU 21 -7.558 3.744 3.912 185 H ALA 22 HN ALA 22 -7.612 3.068 -1.470 186 HA ALA 22 HA ALA 22 -9.736 4.866 -2.417 187 HB1 ALA 22 HB1 ALA 22 -7.590 5.099 -3.415 188 HB2 ALA 22 HB2 ALA 22 -8.579 4.296 -4.634 189 HB3 ALA 22 HB3 ALA 22 -7.439 3.359 -3.668 190 H LEU 23 HN LEU 23 -9.773 1.620 -1.615 191 HA LEU 23 HA LEU 23 -11.869 1.014 -3.673 192 HB2 LEU 23 HB2 LEU 23 -9.346 -0.080 -3.311 193 HB3 LEU 23 HB1 LEU 23 -10.431 -1.243 -2.575 194 HG LEU 23 HG LEU 23 -10.106 -1.817 -4.930 195 HD11 LEU 23 HD11 LEU 23 -12.372 -2.137 -3.919 196 HD12 LEU 23 HD12 LEU 23 -12.414 -1.896 -5.665 197 HD13 LEU 23 HD13 LEU 23 -12.847 -0.573 -4.583 198 HD21 LEU 23 HD21 LEU 23 -9.494 0.444 -5.724 199 HD22 LEU 23 HD22 LEU 23 -11.164 0.969 -5.510 200 HD23 LEU 23 HD23 LEU 23 -10.774 -0.256 -6.715 201 HA PRO 24 HA PRO 24 -13.219 0.239 0.848 202 HB2 PRO 24 HB2 PRO 24 -14.908 2.366 1.146 203 HB3 PRO 24 HB1 PRO 24 -13.182 2.429 1.566 204 HG2 PRO 24 HG2 PRO 24 -14.570 3.458 -0.852 205 HG3 PRO 24 HG1 PRO 24 -13.225 4.158 0.066 206 HD2 PRO 24 HD2 PRO 24 -12.882 2.809 -2.298 207 HD3 PRO 24 HD1 PRO 24 -11.650 2.912 -1.033 208 HA PRO 25 HA PRO 25 -16.890 -1.602 -0.872 209 HB2 PRO 25 HB2 PRO 25 -18.110 -2.404 1.436 210 HB3 PRO 25 HB1 PRO 25 -16.692 -3.228 0.754 211 HG2 PRO 25 HG2 PRO 25 -16.846 -1.283 2.996 212 HG3 PRO 25 HG1 PRO 25 -15.837 -2.728 2.818 213 HD2 PRO 25 HD2 PRO 25 -14.914 -0.200 2.431 214 HD3 PRO 25 HD1 PRO 25 -14.236 -1.632 1.624 215 H ARG 26 HN ARG 26 -19.341 -1.395 -0.643 216 HA ARG 26 HA ARG 26 -20.100 1.371 0.246 217 HB2 ARG 26 HB2 ARG 26 -20.735 -0.314 -2.165 218 HB3 ARG 26 HB1 ARG 26 -21.890 0.910 -1.643 219 HG2 ARG 26 HG2 ARG 26 -20.569 2.134 -3.119 220 HG3 ARG 26 HG1 ARG 26 -19.784 2.481 -1.582 221 HD2 ARG 26 HD2 ARG 26 -17.852 1.609 -2.370 222 HD3 ARG 26 HD1 ARG 26 -18.656 0.051 -2.626 223 HE ARG 26 HE ARG 26 -19.263 2.035 -4.703 224 HH11 ARG 26 HH11 ARG 26 -19.257 -0.886 -5.237 225 HH12 ARG 26 HH12 ARG 26 -17.769 -1.115 -6.089 226 HH21 ARG 26 HH21 ARG 26 -16.422 1.937 -5.078 227 HH22 ARG 26 HH22 ARG 26 -16.143 0.498 -5.997 228 H ALA 27 HN ALA 27 -22.055 -1.465 -0.740 229 HA ALA 27 HA ALA 27 -23.070 -1.882 2.001 230 HB1 ALA 27 HB1 ALA 27 -24.777 -0.798 -0.262 231 HB2 ALA 27 HB2 ALA 27 -24.328 0.064 1.210 232 HB3 ALA 27 HB3 ALA 27 -25.398 -1.334 1.298 233 H TYR 28 HN TYR 28 -21.723 -3.536 -0.081 234 HA TYR 28 HA TYR 28 -23.477 -5.859 0.023 235 HB2 TYR 28 HB2 TYR 28 -23.839 -6.096 -2.365 236 HB3 TYR 28 HB1 TYR 28 -24.426 -4.522 -1.851 237 HD1 TYR 28 HD1 TYR 28 -23.148 -2.460 -2.414 238 HD2 TYR 28 HD2 TYR 28 -21.952 -6.331 -3.848 239 HE1 TYR 28 HE1 TYR 28 -21.683 -1.383 -4.096 240 HE2 TYR 28 HE2 TYR 28 -20.486 -5.253 -5.530 241 HH TYR 28 HH TYR 28 -20.578 -2.764 -6.723 242 H ALA 29 HN ALA 29 -20.499 -4.448 -1.386 243 HA ALA 29 HA ALA 29 -18.343 -5.307 -1.568 244 HB1 ALA 29 HB1 ALA 29 -17.688 -6.873 0.038 245 HB2 ALA 29 HB2 ALA 29 -19.197 -7.776 -0.074 246 HB3 ALA 29 HB3 ALA 29 -19.159 -6.224 0.763 Start of MODEL 28 1 H1 ARG 1 HT1 ARG 1 17.237 -8.146 -10.823 2 H2 ARG 1 HT2 ARG 1 17.709 -9.423 -9.803 3 H3 ARG 1 HT3 ARG 1 17.477 -7.865 -9.169 4 HA ARG 1 HA ARG 1 15.099 -7.986 -9.671 5 HB2 ARG 1 HB2 ARG 1 15.886 -9.689 -11.589 6 HB3 ARG 1 HB1 ARG 1 15.451 -10.875 -10.358 7 HG2 ARG 1 HG2 ARG 1 13.272 -9.342 -10.173 8 HG3 ARG 1 HG1 ARG 1 13.710 -8.944 -11.834 9 HD2 ARG 1 HD2 ARG 1 13.635 -11.276 -12.492 10 HD3 ARG 1 HD1 ARG 1 13.413 -11.791 -10.809 11 HE ARG 1 HE ARG 1 11.333 -10.002 -11.215 12 HH11 ARG 1 HH11 ARG 1 11.353 -10.770 -14.085 13 HH12 ARG 1 HH12 ARG 1 10.313 -12.152 -14.118 14 HH21 ARG 1 HH21 ARG 1 10.487 -12.682 -10.676 15 HH22 ARG 1 HH22 ARG 1 9.818 -13.246 -12.169 16 H LEU 2 HN LEU 2 13.632 -8.991 -8.119 17 HA LEU 2 HA LEU 2 13.021 -9.911 -6.065 18 HB2 LEU 2 HB2 LEU 2 14.825 -11.755 -7.360 19 HB3 LEU 2 HB1 LEU 2 15.058 -11.832 -5.619 20 HG LEU 2 HG LEU 2 13.334 -13.428 -6.381 21 HD11 LEU 2 HD11 LEU 2 13.222 -12.228 -4.129 22 HD12 LEU 2 HD12 LEU 2 11.716 -12.938 -4.709 23 HD13 LEU 2 HD13 LEU 2 11.983 -11.200 -4.849 24 HD21 LEU 2 HD21 LEU 2 11.384 -12.789 -7.516 25 HD22 LEU 2 HD22 LEU 2 12.607 -11.770 -8.274 26 HD23 LEU 2 HD23 LEU 2 11.539 -11.099 -7.040 27 H VAL 3 HN VAL 3 13.328 -8.406 -4.474 28 HA VAL 3 HA VAL 3 16.093 -7.881 -3.478 29 HB VAL 3 HB VAL 3 15.077 -5.899 -2.425 30 HG11 VAL 3 HG11 VAL 3 15.827 -5.779 -4.782 31 HG12 VAL 3 HG12 VAL 3 14.486 -4.682 -4.452 32 HG13 VAL 3 HG13 VAL 3 14.195 -6.197 -5.307 33 HG21 VAL 3 HG21 VAL 3 12.466 -6.794 -3.694 34 HG22 VAL 3 HG22 VAL 3 12.729 -5.344 -2.727 35 HG23 VAL 3 HG23 VAL 3 12.832 -6.934 -1.974 36 HA PRO 4 HA PRO 4 15.255 -9.994 0.298 37 HB2 PRO 4 HB2 PRO 4 16.747 -8.563 2.087 38 HB3 PRO 4 HB1 PRO 4 17.468 -9.607 0.849 39 HG2 PRO 4 HG2 PRO 4 17.276 -6.669 0.947 40 HG3 PRO 4 HG1 PRO 4 18.499 -7.704 0.198 41 HD2 PRO 4 HD2 PRO 4 16.437 -6.373 -1.123 42 HD3 PRO 4 HD1 PRO 4 17.440 -7.680 -1.788 43 H GLY 5 HN GLY 5 14.868 -9.115 2.883 44 HA2 GLY 5 HA2 GLY 5 12.230 -8.061 2.915 45 HA3 GLY 5 HA1 GLY 5 13.292 -8.144 4.316 46 H ALA 6 HN ALA 6 15.306 -6.405 2.800 47 HA ALA 6 HA ALA 6 14.830 -3.891 3.908 48 HB1 ALA 6 HB1 ALA 6 16.498 -3.133 2.223 49 HB2 ALA 6 HB2 ALA 6 16.286 -4.665 1.375 50 HB3 ALA 6 HB3 ALA 6 16.961 -4.645 3.004 51 H ALA 7 HN ALA 7 13.910 -4.974 0.645 52 HA ALA 7 HA ALA 7 12.181 -2.530 0.415 53 HB1 ALA 7 HB1 ALA 7 14.099 -2.377 -1.049 54 HB2 ALA 7 HB2 ALA 7 12.681 -2.712 -2.043 55 HB3 ALA 7 HB3 ALA 7 13.817 -4.006 -1.664 56 H TYR 8 HN TYR 8 11.523 -5.399 1.345 57 HA TYR 8 HA TYR 8 9.656 -6.227 -0.820 58 HB2 TYR 8 HB2 TYR 8 11.298 -7.611 0.954 59 HB3 TYR 8 HB1 TYR 8 9.699 -7.787 1.674 60 HD1 TYR 8 HD2 TYR 8 11.720 -8.397 -1.374 61 HD2 TYR 8 HD1 TYR 8 7.977 -9.093 0.612 62 HE1 TYR 8 HE2 TYR 8 11.146 -10.116 -3.063 63 HE2 TYR 8 HE1 TYR 8 7.401 -10.813 -1.077 64 HH TYR 8 HH TYR 8 9.439 -12.317 -2.938 65 H ALA 9 HN ALA 9 9.650 -5.548 2.656 66 HA ALA 9 HA ALA 9 6.725 -5.205 2.733 67 HB1 ALA 9 HB1 ALA 9 7.810 -6.309 4.590 68 HB2 ALA 9 HB2 ALA 9 7.245 -4.742 5.167 69 HB3 ALA 9 HB3 ALA 9 8.948 -4.974 4.778 70 H LEU 10 HN LEU 10 9.531 -3.220 2.314 71 HA LEU 10 HA LEU 10 8.197 -0.698 3.115 72 HB2 LEU 10 HB2 LEU 10 10.791 -1.617 3.132 73 HB3 LEU 10 HB1 LEU 10 10.771 -0.674 1.649 74 HG LEU 10 HG LEU 10 10.016 0.319 4.414 75 HD11 LEU 10 HD11 LEU 10 12.258 1.131 2.538 76 HD12 LEU 10 HD12 LEU 10 12.457 0.067 3.930 77 HD13 LEU 10 HD13 LEU 10 11.977 1.747 4.166 78 HD21 LEU 10 HD21 LEU 10 8.575 1.435 2.833 79 HD22 LEU 10 HD22 LEU 10 9.898 1.643 1.685 80 HD23 LEU 10 HD23 LEU 10 9.889 2.554 3.194 81 H TYR 11 HN TYR 11 9.629 -2.143 0.179 82 HA TYR 11 HA TYR 11 8.486 -0.081 -1.576 83 HB2 TYR 11 HB2 TYR 11 10.561 -2.079 -1.579 84 HB3 TYR 11 HB1 TYR 11 9.595 -2.234 -3.042 85 HD1 TYR 11 HD2 TYR 11 9.227 -0.136 -4.479 86 HD2 TYR 11 HD1 TYR 11 12.085 -0.318 -1.274 87 HE1 TYR 11 HE2 TYR 11 10.393 1.846 -5.401 88 HE2 TYR 11 HE1 TYR 11 13.250 1.662 -2.198 89 HH TYR 11 HH TYR 11 12.144 3.771 -3.996 90 H GLY 12 HN GLY 12 6.926 -2.592 -0.129 91 HA2 GLY 12 HA2 GLY 12 5.285 -3.155 -2.567 92 HA3 GLY 12 HA1 GLY 12 5.614 -4.386 -1.355 93 H VAL 13 HN VAL 13 4.950 -1.117 -0.240 94 HA VAL 13 HA VAL 13 2.242 -2.056 0.629 95 HB VAL 13 HB VAL 13 2.608 -0.525 2.597 96 HG11 VAL 13 HG11 VAL 13 2.914 -2.902 2.858 97 HG12 VAL 13 HG12 VAL 13 4.221 -2.083 3.712 98 HG13 VAL 13 HG13 VAL 13 4.523 -2.823 2.139 99 HG21 VAL 13 HG21 VAL 13 5.538 -0.600 1.903 100 HG22 VAL 13 HG22 VAL 13 4.693 0.455 3.035 101 HG23 VAL 13 HG23 VAL 13 4.526 0.711 1.298 102 H TRP 14 HN TRP 14 3.882 0.420 -1.113 103 HA TRP 14 HA TRP 14 2.206 2.668 -0.755 104 HB2 TRP 14 HB2 TRP 14 4.392 2.569 -1.964 105 HB3 TRP 14 HB1 TRP 14 3.589 1.747 -3.287 106 HD1 TRP 14 HD1 TRP 14 3.562 3.498 -5.136 107 HE1 TRP 14 HE1 TRP 14 2.630 5.883 -5.380 108 HE3 TRP 14 HE3 TRP 14 2.207 4.429 -0.292 109 HZ2 TRP 14 HZ2 TRP 14 1.466 7.920 -3.748 110 HZ3 TRP 14 HZ3 TRP 14 1.189 6.594 0.327 111 HH2 TRP 14 HH2 TRP 14 0.816 8.342 -1.391 112 HA PRO 15 HA PRO 15 -0.516 1.119 -4.407 113 HB2 PRO 15 HB2 PRO 15 -0.402 -1.539 -5.061 114 HB3 PRO 15 HB1 PRO 15 0.603 -0.297 -5.841 115 HG2 PRO 15 HG2 PRO 15 1.311 -2.208 -3.672 116 HG3 PRO 15 HG1 PRO 15 2.265 -1.682 -5.070 117 HD2 PRO 15 HD2 PRO 15 2.661 -0.708 -2.586 118 HD3 PRO 15 HD1 PRO 15 2.954 0.264 -4.043 119 H LEU 16 HN LEU 16 0.135 -1.219 -1.782 120 HA LEU 16 HA LEU 16 -2.606 -2.109 -1.486 121 HB2 LEU 16 HB2 LEU 16 -0.032 -2.244 0.031 122 HB3 LEU 16 HB1 LEU 16 -1.508 -2.510 0.956 123 HG LEU 16 HG LEU 16 -2.141 -4.144 -0.985 124 HD11 LEU 16 HD11 LEU 16 0.051 -5.236 -1.824 125 HD12 LEU 16 HD12 LEU 16 0.824 -3.720 -1.367 126 HD13 LEU 16 HD13 LEU 16 -0.452 -3.728 -2.584 127 HD21 LEU 16 HD21 LEU 16 -1.006 -5.981 0.189 128 HD22 LEU 16 HD22 LEU 16 -1.616 -4.811 1.358 129 HD23 LEU 16 HD23 LEU 16 0.099 -4.837 0.949 130 H LEU 17 HN LEU 17 -0.654 0.416 0.024 131 HA LEU 17 HA LEU 17 -2.674 1.406 1.836 132 HB2 LEU 17 HB2 LEU 17 -0.074 1.766 1.708 133 HB3 LEU 17 HB1 LEU 17 -0.465 3.044 0.566 134 HG LEU 17 HG LEU 17 -0.152 3.768 2.978 135 HD11 LEU 17 HD11 LEU 17 -1.601 4.900 1.095 136 HD12 LEU 17 HD12 LEU 17 -1.684 5.489 2.754 137 HD13 LEU 17 HD13 LEU 17 -2.949 4.431 2.131 138 HD21 LEU 17 HD21 LEU 17 -2.938 2.739 3.460 139 HD22 LEU 17 HD22 LEU 17 -1.711 3.217 4.633 140 HD23 LEU 17 HD23 LEU 17 -1.553 1.691 3.763 141 H LEU 18 HN LEU 18 -1.716 2.198 -1.476 142 HA LEU 18 HA LEU 18 -3.541 4.396 -1.890 143 HB2 LEU 18 HB2 LEU 18 -1.646 2.760 -3.384 144 HB3 LEU 18 HB1 LEU 18 -3.096 3.042 -4.339 145 HG LEU 18 HG LEU 18 -2.890 5.469 -3.961 146 HD11 LEU 18 HD11 LEU 18 -0.201 4.938 -2.694 147 HD12 LEU 18 HD12 LEU 18 -1.655 5.099 -1.712 148 HD13 LEU 18 HD13 LEU 18 -1.122 6.441 -2.723 149 HD21 LEU 18 HD21 LEU 18 -0.871 5.835 -5.314 150 HD22 LEU 18 HD22 LEU 18 -1.746 4.421 -5.903 151 HD23 LEU 18 HD23 LEU 18 -0.295 4.216 -4.920 152 H LEU 19 HN LEU 19 -3.766 0.861 -2.323 153 HA LEU 19 HA LEU 19 -6.417 0.830 -3.482 154 HB2 LEU 19 HB2 LEU 19 -4.334 -0.991 -2.775 155 HB3 LEU 19 HB1 LEU 19 -5.793 -1.549 -1.970 156 HG LEU 19 HG LEU 19 -6.771 -0.913 -4.451 157 HD11 LEU 19 HD11 LEU 19 -5.214 -1.768 -6.120 158 HD12 LEU 19 HD12 LEU 19 -4.020 -2.120 -4.870 159 HD13 LEU 19 HD13 LEU 19 -4.444 -0.449 -5.238 160 HD21 LEU 19 HD21 LEU 19 -6.562 -3.414 -4.884 161 HD22 LEU 19 HD22 LEU 19 -7.295 -2.984 -3.340 162 HD23 LEU 19 HD23 LEU 19 -5.614 -3.513 -3.401 163 H LEU 20 HN LEU 20 -5.106 0.677 -0.227 164 HA LEU 20 HA LEU 20 -7.592 0.179 1.186 165 HB2 LEU 20 HB2 LEU 20 -4.747 0.773 1.725 166 HB3 LEU 20 HB1 LEU 20 -5.836 1.395 2.955 167 HG LEU 20 HG LEU 20 -5.888 -1.464 1.949 168 HD11 LEU 20 HD11 LEU 20 -4.790 -2.004 4.117 169 HD12 LEU 20 HD12 LEU 20 -4.604 -0.278 4.429 170 HD13 LEU 20 HD13 LEU 20 -3.762 -1.025 3.071 171 HD21 LEU 20 HD21 LEU 20 -7.133 -1.739 4.174 172 HD22 LEU 20 HD22 LEU 20 -8.005 -0.872 2.910 173 HD23 LEU 20 HD23 LEU 20 -7.238 0.021 4.223 174 H LEU 21 HN LEU 21 -5.723 3.115 0.360 175 HA LEU 21 HA LEU 21 -7.285 5.023 1.805 176 HB2 LEU 21 HB2 LEU 21 -4.997 5.283 0.734 177 HB3 LEU 21 HB1 LEU 21 -5.820 5.419 -0.817 178 HG LEU 21 HG LEU 21 -6.869 7.180 1.328 179 HD11 LEU 21 HD11 LEU 21 -4.418 7.273 1.741 180 HD12 LEU 21 HD12 LEU 21 -5.045 8.800 1.119 181 HD13 LEU 21 HD13 LEU 21 -4.167 7.706 0.050 182 HD21 LEU 21 HD21 LEU 21 -5.958 7.854 -1.481 183 HD22 LEU 21 HD22 LEU 21 -7.153 8.696 -0.495 184 HD23 LEU 21 HD23 LEU 21 -7.522 7.106 -1.159 185 H ALA 22 HN ALA 22 -7.573 3.741 -1.475 186 HA ALA 22 HA ALA 22 -10.198 5.156 -1.808 187 HB1 ALA 22 HB1 ALA 22 -9.702 5.178 -4.125 188 HB2 ALA 22 HB2 ALA 22 -8.518 3.880 -3.971 189 HB3 ALA 22 HB3 ALA 22 -8.144 5.491 -3.361 190 H LEU 23 HN LEU 23 -9.999 2.701 -0.248 191 HA LEU 23 HA LEU 23 -10.767 0.465 -1.944 192 HB2 LEU 23 HB2 LEU 23 -10.491 -0.779 -0.016 193 HB3 LEU 23 HB1 LEU 23 -9.535 0.626 0.398 194 HG LEU 23 HG LEU 23 -11.869 1.495 1.364 195 HD11 LEU 23 HD11 LEU 23 -12.834 -0.805 0.486 196 HD12 LEU 23 HD12 LEU 23 -13.363 -0.162 2.039 197 HD13 LEU 23 HD13 LEU 23 -12.142 -1.431 1.983 198 HD21 LEU 23 HD21 LEU 23 -9.529 0.610 2.447 199 HD22 LEU 23 HD22 LEU 23 -10.658 -0.564 3.122 200 HD23 LEU 23 HD23 LEU 23 -10.904 1.158 3.408 201 HA PRO 24 HA PRO 24 -15.113 1.400 -1.866 202 HB2 PRO 24 HB2 PRO 24 -15.902 -0.778 -3.305 203 HB3 PRO 24 HB1 PRO 24 -15.064 0.608 -4.025 204 HG2 PRO 24 HG2 PRO 24 -14.087 -2.092 -3.534 205 HG3 PRO 24 HG1 PRO 24 -13.450 -0.840 -4.605 206 HD2 PRO 24 HD2 PRO 24 -12.506 -1.607 -1.998 207 HD3 PRO 24 HD1 PRO 24 -11.822 -0.402 -3.111 208 HA PRO 25 HA PRO 25 -16.041 -1.364 1.648 209 HB2 PRO 25 HB2 PRO 25 -17.862 0.269 2.847 210 HB3 PRO 25 HB1 PRO 25 -16.108 0.470 3.037 211 HG2 PRO 25 HG2 PRO 25 -18.004 1.999 1.356 212 HG3 PRO 25 HG1 PRO 25 -16.549 2.540 2.207 213 HD2 PRO 25 HD2 PRO 25 -16.691 2.043 -0.498 214 HD3 PRO 25 HD1 PRO 25 -15.198 2.048 0.463 215 H ARG 26 HN ARG 26 -17.747 -2.797 1.944 216 HA ARG 26 HA ARG 26 -20.408 -2.320 0.787 217 HB2 ARG 26 HB2 ARG 26 -18.990 -2.976 -1.140 218 HB3 ARG 26 HB1 ARG 26 -18.564 -4.469 -0.311 219 HG2 ARG 26 HG2 ARG 26 -20.348 -4.926 -1.901 220 HG3 ARG 26 HG1 ARG 26 -20.984 -5.089 -0.264 221 HD2 ARG 26 HD2 ARG 26 -21.482 -2.436 -0.730 222 HD3 ARG 26 HD1 ARG 26 -21.673 -3.111 -2.359 223 HE ARG 26 HE ARG 26 -23.492 -4.436 -1.581 224 HH11 ARG 26 HH21 ARG 26 -23.845 -1.914 0.175 225 HH12 ARG 26 HH22 ARG 26 -24.181 -2.641 1.709 226 HH21 ARG 26 HH11 ARG 26 -23.055 -5.798 0.741 227 HH22 ARG 26 HH12 ARG 26 -23.725 -4.862 2.033 228 H ALA 27 HN ALA 27 -18.448 -5.231 1.649 229 HA ALA 27 HA ALA 27 -20.128 -5.701 4.040 230 HB1 ALA 27 HB1 ALA 27 -21.496 -6.609 2.270 231 HB2 ALA 27 HB2 ALA 27 -20.770 -7.968 3.128 232 HB3 ALA 27 HB3 ALA 27 -20.117 -7.458 1.571 233 H TYR 28 HN TYR 28 -17.331 -5.192 3.806 234 HA TYR 28 HA TYR 28 -15.851 -7.718 3.892 235 HB2 TYR 28 HB2 TYR 28 -13.932 -6.284 4.253 236 HB3 TYR 28 HB1 TYR 28 -14.950 -5.558 3.019 237 HD1 TYR 28 HD1 TYR 28 -13.974 -5.390 6.607 238 HD2 TYR 28 HD2 TYR 28 -15.964 -3.407 3.357 239 HE1 TYR 28 HE1 TYR 28 -14.102 -3.314 7.950 240 HE2 TYR 28 HE2 TYR 28 -16.093 -1.330 4.701 241 HH TYR 28 HH TYR 28 -15.790 -1.177 7.887 242 H ALA 29 HN ALA 29 -17.437 -5.678 6.256 243 HA ALA 29 HA ALA 29 -17.871 -5.991 8.520 244 HB1 ALA 29 HB1 ALA 29 -17.740 -8.174 9.379 245 HB2 ALA 29 HB2 ALA 29 -16.307 -8.567 8.431 246 HB3 ALA 29 HB3 ALA 29 -17.880 -8.447 7.642 Start of MODEL 29 1 H1 ARG 1 HT1 ARG 1 18.876 -5.568 -8.908 2 H2 ARG 1 HT2 ARG 1 18.146 -7.083 -8.657 3 H3 ARG 1 HT3 ARG 1 19.534 -6.647 -7.781 4 HA ARG 1 HA ARG 1 18.298 -4.879 -6.652 5 HB2 ARG 1 HB2 ARG 1 16.823 -4.701 -8.752 6 HB3 ARG 1 HB1 ARG 1 15.898 -6.040 -8.072 7 HG2 ARG 1 HG2 ARG 1 14.715 -4.265 -7.179 8 HG3 ARG 1 HG1 ARG 1 15.911 -4.495 -5.905 9 HD2 ARG 1 HD2 ARG 1 16.204 -2.226 -6.239 10 HD3 ARG 1 HD1 ARG 1 17.303 -2.804 -7.506 11 HE ARG 1 HE ARG 1 15.623 -2.319 -9.158 12 HH11 ARG 1 HH11 ARG 1 15.350 0.017 -7.115 13 HH12 ARG 1 HH12 ARG 1 13.627 0.156 -7.036 14 HH21 ARG 1 HH21 ARG 1 13.055 -2.926 -8.564 15 HH22 ARG 1 HH22 ARG 1 12.317 -1.527 -7.864 16 H LEU 2 HN LEU 2 19.293 -6.733 -5.367 17 HA LEU 2 HA LEU 2 17.291 -8.750 -4.435 18 HB2 LEU 2 HB2 LEU 2 20.312 -8.521 -4.311 19 HB3 LEU 2 HB1 LEU 2 19.423 -9.763 -3.434 20 HG LEU 2 HG LEU 2 18.699 -9.495 -6.294 21 HD11 LEU 2 HD11 LEU 2 21.382 -10.641 -5.466 22 HD12 LEU 2 HD12 LEU 2 21.157 -9.140 -6.366 23 HD13 LEU 2 HD13 LEU 2 20.689 -10.679 -7.087 24 HD21 LEU 2 HD21 LEU 2 19.286 -11.736 -4.342 25 HD22 LEU 2 HD22 LEU 2 18.976 -12.034 -6.053 26 HD23 LEU 2 HD23 LEU 2 17.732 -11.293 -5.048 27 H VAL 3 HN VAL 3 16.220 -6.911 -3.227 28 HA VAL 3 HA VAL 3 17.619 -5.612 -1.033 29 HB VAL 3 HB VAL 3 15.298 -4.888 -0.399 30 HG11 VAL 3 HG11 VAL 3 16.650 -3.608 -1.997 31 HG12 VAL 3 HG12 VAL 3 14.941 -3.534 -2.422 32 HG13 VAL 3 HG13 VAL 3 16.026 -4.589 -3.322 33 HG21 VAL 3 HG21 VAL 3 13.408 -5.766 -1.338 34 HG22 VAL 3 HG22 VAL 3 14.434 -7.159 -1.672 35 HG23 VAL 3 HG23 VAL 3 14.158 -5.947 -2.923 36 HA PRO 4 HA PRO 4 17.018 -8.833 1.958 37 HB2 PRO 4 HB2 PRO 4 17.805 -7.443 4.169 38 HB3 PRO 4 HB1 PRO 4 18.929 -7.985 2.911 39 HG2 PRO 4 HG2 PRO 4 18.007 -5.291 3.532 40 HG3 PRO 4 HG1 PRO 4 19.421 -5.819 2.613 41 HD2 PRO 4 HD2 PRO 4 16.907 -4.858 1.618 42 HD3 PRO 4 HD1 PRO 4 18.353 -5.337 0.700 43 H GLY 5 HN GLY 5 14.512 -7.374 1.297 44 HA2 GLY 5 HA2 GLY 5 12.361 -7.661 2.331 45 HA3 GLY 5 HA1 GLY 5 13.145 -7.697 3.907 46 H ALA 6 HN ALA 6 14.724 -5.272 3.514 47 HA ALA 6 HA ALA 6 13.127 -3.266 4.584 48 HB1 ALA 6 HB1 ALA 6 15.512 -3.114 4.577 49 HB2 ALA 6 HB2 ALA 6 14.925 -1.736 3.645 50 HB3 ALA 6 HB3 ALA 6 15.570 -3.154 2.815 51 H ALA 7 HN ALA 7 13.870 -3.661 1.127 52 HA ALA 7 HA ALA 7 11.764 -1.649 0.459 53 HB1 ALA 7 HB1 ALA 7 14.345 -1.948 -0.386 54 HB2 ALA 7 HB2 ALA 7 13.097 -1.119 -1.314 55 HB3 ALA 7 HB3 ALA 7 13.476 -2.805 -1.658 56 H TYR 8 HN TYR 8 11.209 -4.527 1.271 57 HA TYR 8 HA TYR 8 9.929 -5.501 -1.254 58 HB2 TYR 8 HB2 TYR 8 11.692 -6.804 0.331 59 HB3 TYR 8 HB1 TYR 8 10.202 -7.227 1.167 60 HD1 TYR 8 HD1 TYR 8 8.402 -8.470 0.011 61 HD2 TYR 8 HD2 TYR 8 12.158 -7.632 -1.902 62 HE1 TYR 8 HE1 TYR 8 7.896 -10.161 -1.730 63 HE2 TYR 8 HE2 TYR 8 11.649 -9.323 -3.641 64 HH TYR 8 HH TYR 8 9.806 -11.638 -3.471 65 H ALA 9 HN ALA 9 9.444 -5.504 2.260 66 HA ALA 9 HA ALA 9 6.578 -5.835 2.162 67 HB1 ALA 9 HB1 ALA 9 8.451 -4.753 4.289 68 HB2 ALA 9 HB2 ALA 9 7.903 -6.423 4.130 69 HB3 ALA 9 HB3 ALA 9 6.758 -5.155 4.574 70 H LEU 10 HN LEU 10 8.692 -3.028 2.502 71 HA LEU 10 HA LEU 10 6.738 -0.976 2.862 72 HB2 LEU 10 HB2 LEU 10 9.505 -1.202 2.656 73 HB3 LEU 10 HB1 LEU 10 9.079 -0.261 1.230 74 HG LEU 10 HG LEU 10 7.895 0.460 3.898 75 HD11 LEU 10 HD11 LEU 10 9.766 1.776 4.492 76 HD12 LEU 10 HD12 LEU 10 10.490 1.627 2.891 77 HD13 LEU 10 HD13 LEU 10 10.469 0.241 3.982 78 HD21 LEU 10 HD21 LEU 10 7.069 1.493 1.775 79 HD22 LEU 10 HD22 LEU 10 8.698 2.091 1.463 80 HD23 LEU 10 HD23 LEU 10 7.796 2.676 2.861 81 H TYR 11 HN TYR 11 8.376 -2.042 -0.142 82 HA TYR 11 HA TYR 11 6.808 -0.445 -1.938 83 HB2 TYR 11 HB2 TYR 11 8.700 -2.751 -2.090 84 HB3 TYR 11 HB1 TYR 11 7.744 -2.386 -3.522 85 HD1 TYR 11 HD2 TYR 11 7.926 -0.163 -4.630 86 HD2 TYR 11 HD1 TYR 11 10.435 -1.258 -1.320 87 HE1 TYR 11 HE2 TYR 11 9.456 1.713 -5.166 88 HE2 TYR 11 HE1 TYR 11 11.965 0.617 -1.856 89 HH TYR 11 HH TYR 11 11.385 3.097 -3.337 90 H GLY 12 HN GLY 12 6.229 -3.570 -0.482 91 HA2 GLY 12 HA2 GLY 12 4.058 -4.266 -2.333 92 HA3 GLY 12 HA1 GLY 12 4.574 -5.209 -0.938 93 H VAL 13 HN VAL 13 4.342 -2.487 0.646 94 HA VAL 13 HA VAL 13 1.428 -2.796 1.198 95 HB VAL 13 HB VAL 13 3.822 -1.916 2.814 96 HG11 VAL 13 HG11 VAL 13 2.224 -0.423 3.656 97 HG12 VAL 13 HG12 VAL 13 2.021 -1.825 4.707 98 HG13 VAL 13 HG13 VAL 13 0.889 -1.544 3.384 99 HG21 VAL 13 HG21 VAL 13 1.779 -4.012 3.528 100 HG22 VAL 13 HG22 VAL 13 3.459 -3.879 4.049 101 HG23 VAL 13 HG23 VAL 13 3.085 -4.391 2.405 102 H TRP 14 HN TRP 14 3.853 -0.413 0.294 103 HA TRP 14 HA TRP 14 2.529 2.002 0.863 104 HB2 TRP 14 HB2 TRP 14 4.851 1.755 0.057 105 HB3 TRP 14 HB1 TRP 14 4.257 1.309 -1.526 106 HD1 TRP 14 HD1 TRP 14 5.196 3.349 -2.807 107 HE1 TRP 14 HE1 TRP 14 4.625 5.858 -2.834 108 HE3 TRP 14 HE3 TRP 14 2.249 3.645 1.366 109 HZ2 TRP 14 HZ2 TRP 14 3.123 7.744 -1.300 110 HZ3 TRP 14 HZ3 TRP 14 1.266 5.803 2.051 111 HH2 TRP 14 HH2 TRP 14 1.696 7.856 0.728 112 HA PRO 15 HA PRO 15 0.293 1.903 -3.383 113 HB2 PRO 15 HB2 PRO 15 0.227 -0.448 -4.780 114 HB3 PRO 15 HB1 PRO 15 1.494 0.776 -5.003 115 HG2 PRO 15 HG2 PRO 15 1.573 -1.757 -3.446 116 HG3 PRO 15 HG1 PRO 15 2.825 -1.010 -4.453 117 HD2 PRO 15 HD2 PRO 15 2.822 -0.875 -1.748 118 HD3 PRO 15 HD1 PRO 15 3.534 0.385 -2.777 119 H LEU 16 HN LEU 16 0.233 -0.999 -1.348 120 HA LEU 16 HA LEU 16 -2.519 -1.722 -1.795 121 HB2 LEU 16 HB2 LEU 16 -0.326 -2.323 0.128 122 HB3 LEU 16 HB1 LEU 16 -1.959 -2.615 0.717 123 HG LEU 16 HG LEU 16 -0.911 -4.618 -0.362 124 HD11 LEU 16 HD11 LEU 16 -3.309 -3.535 -1.864 125 HD12 LEU 16 HD12 LEU 16 -3.380 -4.295 -0.275 126 HD13 LEU 16 HD13 LEU 16 -2.865 -5.230 -1.677 127 HD21 LEU 16 HD21 LEU 16 -0.578 -4.673 -2.763 128 HD22 LEU 16 HD22 LEU 16 0.329 -3.304 -2.123 129 HD23 LEU 16 HD23 LEU 16 -1.212 -3.036 -2.935 130 H LEU 17 HN LEU 17 -0.912 0.363 0.573 131 HA LEU 17 HA LEU 17 -3.266 1.097 2.067 132 HB2 LEU 17 HB2 LEU 17 -0.499 2.202 1.634 133 HB3 LEU 17 HB1 LEU 17 -1.685 3.201 2.468 134 HG LEU 17 HG LEU 17 -1.092 0.352 3.300 135 HD11 LEU 17 HD11 LEU 17 0.302 1.390 5.103 136 HD12 LEU 17 HD12 LEU 17 0.145 2.943 4.282 137 HD13 LEU 17 HD13 LEU 17 0.986 1.609 3.493 138 HD21 LEU 17 HD21 LEU 17 -3.222 1.312 4.088 139 HD22 LEU 17 HD22 LEU 17 -2.369 2.729 4.700 140 HD23 LEU 17 HD23 LEU 17 -2.094 1.150 5.434 141 H LEU 18 HN LEU 18 -1.641 2.440 -0.756 142 HA LEU 18 HA LEU 18 -3.292 4.759 -1.169 143 HB2 LEU 18 HB2 LEU 18 -1.220 3.188 -2.532 144 HB3 LEU 18 HB1 LEU 18 -2.398 3.828 -3.669 145 HG LEU 18 HG LEU 18 -2.088 6.093 -2.599 146 HD11 LEU 18 HD11 LEU 18 0.308 4.758 -1.303 147 HD12 LEU 18 HD12 LEU 18 -1.169 5.187 -0.442 148 HD13 LEU 18 HD13 LEU 18 -0.167 6.449 -1.156 149 HD21 LEU 18 HD21 LEU 18 0.429 4.811 -3.714 150 HD22 LEU 18 HD22 LEU 18 0.050 6.532 -3.718 151 HD23 LEU 18 HD23 LEU 18 -0.911 5.418 -4.689 152 H LEU 19 HN LEU 19 -3.462 1.381 -2.297 153 HA LEU 19 HA LEU 19 -5.841 1.612 -3.907 154 HB2 LEU 19 HB2 LEU 19 -3.932 -0.340 -3.151 155 HB3 LEU 19 HB1 LEU 19 -5.485 -0.969 -2.617 156 HG LEU 19 HG LEU 19 -5.459 0.214 -5.337 157 HD11 LEU 19 HD11 LEU 19 -3.261 -1.025 -5.165 158 HD12 LEU 19 HD12 LEU 19 -4.369 -1.668 -6.377 159 HD13 LEU 19 HD13 LEU 19 -4.185 -2.489 -4.827 160 HD21 LEU 19 HD21 LEU 19 -6.840 -1.824 -5.758 161 HD22 LEU 19 HD22 LEU 19 -7.452 -0.867 -4.410 162 HD23 LEU 19 HD23 LEU 19 -6.536 -2.343 -4.101 163 H LEU 20 HN LEU 20 -5.218 0.854 -0.525 164 HA LEU 20 HA LEU 20 -7.869 0.179 0.324 165 HB2 LEU 20 HB2 LEU 20 -5.252 0.643 1.428 166 HB3 LEU 20 HB1 LEU 20 -6.425 1.521 2.401 167 HG LEU 20 HG LEU 20 -6.792 -1.376 1.613 168 HD11 LEU 20 HD11 LEU 20 -5.718 -0.305 4.238 169 HD12 LEU 20 HD12 LEU 20 -4.708 -1.007 2.973 170 HD13 LEU 20 HD13 LEU 20 -5.923 -1.997 3.783 171 HD21 LEU 20 HD21 LEU 20 -8.823 -1.035 2.536 172 HD22 LEU 20 HD22 LEU 20 -8.394 0.621 2.962 173 HD23 LEU 20 HD23 LEU 20 -8.028 -0.699 4.073 174 H LEU 21 HN LEU 21 -6.145 3.304 0.137 175 HA LEU 21 HA LEU 21 -8.144 4.952 1.343 176 HB2 LEU 21 HB2 LEU 21 -5.684 5.416 0.756 177 HB3 LEU 21 HB1 LEU 21 -6.242 5.716 -0.883 178 HG LEU 21 HG LEU 21 -5.954 7.748 0.667 179 HD11 LEU 21 HD11 LEU 21 -7.435 8.898 -0.629 180 HD12 LEU 21 HD12 LEU 21 -8.756 7.776 -0.312 181 HD13 LEU 21 HD13 LEU 21 -7.514 7.364 -1.496 182 HD21 LEU 21 HD21 LEU 21 -8.665 6.877 1.701 183 HD22 LEU 21 HD22 LEU 21 -7.692 8.246 2.237 184 HD23 LEU 21 HD23 LEU 21 -7.172 6.601 2.598 185 H ALA 22 HN ALA 22 -7.692 3.827 -1.964 186 HA ALA 22 HA ALA 22 -10.239 5.160 -2.805 187 HB1 ALA 22 HB1 ALA 22 -8.326 5.845 -4.093 188 HB2 ALA 22 HB2 ALA 22 -9.228 4.719 -5.107 189 HB3 ALA 22 HB3 ALA 22 -7.772 4.180 -4.272 190 H LEU 23 HN LEU 23 -10.640 2.905 -1.278 191 HA LEU 23 HA LEU 23 -11.230 0.728 -3.247 192 HB2 LEU 23 HB2 LEU 23 -9.546 0.383 -1.358 193 HB3 LEU 23 HB1 LEU 23 -10.924 0.456 -0.267 194 HG LEU 23 HG LEU 23 -11.553 -1.320 -2.436 195 HD11 LEU 23 HD11 LEU 23 -9.148 -1.633 -2.705 196 HD12 LEU 23 HD12 LEU 23 -9.848 -3.069 -1.959 197 HD13 LEU 23 HD13 LEU 23 -8.964 -1.905 -0.972 198 HD21 LEU 23 HD21 LEU 23 -11.667 -2.946 -0.465 199 HD22 LEU 23 HD22 LEU 23 -12.656 -1.494 -0.319 200 HD23 LEU 23 HD23 LEU 23 -11.125 -1.608 0.549 201 HA PRO 24 HA PRO 24 -15.421 1.715 -2.223 202 HB2 PRO 24 HB2 PRO 24 -16.583 -0.118 -3.888 203 HB3 PRO 24 HB1 PRO 24 -15.925 1.446 -4.392 204 HG2 PRO 24 HG2 PRO 24 -14.826 -1.249 -4.765 205 HG3 PRO 24 HG1 PRO 24 -14.574 0.220 -5.709 206 HD2 PRO 24 HD2 PRO 24 -12.799 -0.880 -3.832 207 HD3 PRO 24 HD1 PRO 24 -12.670 0.716 -4.578 208 HA PRO 25 HA PRO 25 -16.917 -2.422 -0.384 209 HB2 PRO 25 HB2 PRO 25 -15.200 -4.535 -0.174 210 HB3 PRO 25 HB1 PRO 25 -16.277 -4.296 -1.566 211 HG2 PRO 25 HG2 PRO 25 -13.379 -3.707 -1.298 212 HG3 PRO 25 HG1 PRO 25 -14.279 -4.356 -2.678 213 HD2 PRO 25 HD2 PRO 25 -13.487 -1.768 -2.506 214 HD3 PRO 25 HD1 PRO 25 -14.920 -2.300 -3.408 215 H ARG 26 HN ARG 26 -16.126 -3.797 1.715 216 HA ARG 26 HA ARG 26 -13.879 -2.641 3.180 217 HB2 ARG 26 HB2 ARG 26 -15.529 -1.786 5.013 218 HB3 ARG 26 HB1 ARG 26 -15.232 -0.787 3.599 219 HG2 ARG 26 HG2 ARG 26 -17.329 -1.936 2.590 220 HG3 ARG 26 HG1 ARG 26 -17.661 -2.463 4.239 221 HD2 ARG 26 HD2 ARG 26 -18.842 -0.406 4.025 222 HD3 ARG 26 HD1 ARG 26 -17.357 0.036 4.890 223 HE ARG 26 HE ARG 26 -16.888 0.205 2.055 224 HH11 ARG 26 HH21 ARG 26 -19.470 1.618 2.080 225 HH12 ARG 26 HH22 ARG 26 -19.037 3.241 2.498 226 HH21 ARG 26 HH11 ARG 26 -15.891 2.352 3.715 227 HH22 ARG 26 HH12 ARG 26 -16.987 3.660 3.429 228 H ALA 27 HN ALA 27 -16.982 -4.414 3.578 229 HA ALA 27 HA ALA 27 -17.518 -6.337 4.810 230 HB1 ALA 27 HB1 ALA 27 -15.945 -8.115 4.491 231 HB2 ALA 27 HB2 ALA 27 -14.597 -6.987 4.365 232 HB3 ALA 27 HB3 ALA 27 -15.804 -7.064 3.081 233 H TYR 28 HN TYR 28 -17.095 -4.244 6.559 234 HA TYR 28 HA TYR 28 -16.041 -5.639 8.941 235 HB2 TYR 28 HB2 TYR 28 -14.246 -4.245 7.530 236 HB3 TYR 28 HB1 TYR 28 -14.935 -2.906 8.449 237 HD1 TYR 28 HD2 TYR 28 -14.921 -2.963 10.951 238 HD2 TYR 28 HD1 TYR 28 -12.874 -5.905 8.582 239 HE1 TYR 28 HE2 TYR 28 -13.606 -3.647 12.936 240 HE2 TYR 28 HE1 TYR 28 -11.558 -6.590 10.567 241 HH TYR 28 HH TYR 28 -12.251 -6.235 13.441 242 H ALA 29 HN ALA 29 -17.086 -2.400 7.783 243 HA ALA 29 HA ALA 29 -18.661 -0.881 8.613 244 HB1 ALA 29 HB1 ALA 29 -20.684 -1.860 9.220 245 HB2 ALA 29 HB2 ALA 29 -19.909 -3.121 10.176 246 HB3 ALA 29 HB3 ALA 29 -19.888 -3.212 8.415 Start of MODEL 30 1 H1 ARG 1 HT1 ARG 1 24.691 3.068 8.334 2 H2 ARG 1 HT2 ARG 1 24.713 1.474 8.922 3 H3 ARG 1 HT3 ARG 1 23.314 2.424 9.081 4 HA ARG 1 HA ARG 1 23.048 2.475 6.654 5 HB2 ARG 1 HB2 ARG 1 25.630 0.936 6.939 6 HB3 ARG 1 HB1 ARG 1 24.632 0.748 5.500 7 HG2 ARG 1 HG2 ARG 1 25.327 2.719 4.661 8 HG3 ARG 1 HG1 ARG 1 24.953 3.559 6.163 9 HD2 ARG 1 HD2 ARG 1 27.220 3.833 6.314 10 HD3 ARG 1 HD1 ARG 1 27.226 2.147 6.862 11 HE ARG 1 HE ARG 1 27.657 1.458 4.526 12 HH11 ARG 1 HH21 ARG 1 26.681 3.843 3.059 13 HH12 ARG 1 HH22 ARG 1 28.145 4.662 2.635 14 HH21 ARG 1 HH11 ARG 1 30.085 2.919 4.953 15 HH22 ARG 1 HH12 ARG 1 30.094 4.133 3.720 16 H LEU 2 HN LEU 2 21.142 1.315 6.644 17 HA LEU 2 HA LEU 2 21.213 -1.623 7.004 18 HB2 LEU 2 HB2 LEU 2 20.890 -0.161 9.229 19 HB3 LEU 2 HB1 LEU 2 19.222 -0.142 8.672 20 HG LEU 2 HG LEU 2 19.677 -2.014 10.237 21 HD11 LEU 2 HD11 LEU 2 18.362 -3.536 9.110 22 HD12 LEU 2 HD12 LEU 2 19.243 -3.346 7.596 23 HD13 LEU 2 HD13 LEU 2 18.096 -2.109 8.109 24 HD21 LEU 2 HD21 LEU 2 22.093 -2.275 9.326 25 HD22 LEU 2 HD22 LEU 2 21.360 -3.274 8.071 26 HD23 LEU 2 HD23 LEU 2 21.215 -3.739 9.766 27 H VAL 3 HN VAL 3 19.764 -2.538 5.601 28 HA VAL 3 HA VAL 3 17.478 -0.875 4.614 29 HB VAL 3 HB VAL 3 17.845 -2.139 2.422 30 HG11 VAL 3 HG11 VAL 3 19.973 -0.235 3.426 31 HG12 VAL 3 HG12 VAL 3 18.453 0.198 2.644 32 HG13 VAL 3 HG13 VAL 3 19.708 -0.639 1.730 33 HG21 VAL 3 HG21 VAL 3 20.633 -2.604 3.522 34 HG22 VAL 3 HG22 VAL 3 19.961 -3.170 1.992 35 HG23 VAL 3 HG23 VAL 3 19.400 -3.867 3.511 36 HA PRO 4 HA PRO 4 15.339 -4.495 6.159 37 HB2 PRO 4 HB2 PRO 4 12.803 -3.561 5.752 38 HB3 PRO 4 HB1 PRO 4 13.817 -3.041 7.112 39 HG2 PRO 4 HG2 PRO 4 13.187 -1.633 4.585 40 HG3 PRO 4 HG1 PRO 4 13.450 -0.983 6.212 41 HD2 PRO 4 HD2 PRO 4 15.301 -0.924 4.175 42 HD3 PRO 4 HD1 PRO 4 15.687 -0.793 5.905 43 H GLY 5 HN GLY 5 16.105 -5.789 4.314 44 HA2 GLY 5 HA2 GLY 5 15.698 -7.192 2.467 45 HA3 GLY 5 HA1 GLY 5 14.013 -6.708 2.575 46 H ALA 6 HN ALA 6 16.669 -4.452 2.137 47 HA ALA 6 HA ALA 6 17.080 -2.854 0.460 48 HB1 ALA 6 HB1 ALA 6 16.251 -5.282 -1.163 49 HB2 ALA 6 HB2 ALA 6 17.884 -4.879 -0.637 50 HB3 ALA 6 HB3 ALA 6 17.069 -3.871 -1.831 51 H ALA 7 HN ALA 7 14.488 -2.674 1.659 52 HA ALA 7 HA ALA 7 12.435 -1.585 1.377 53 HB1 ALA 7 HB1 ALA 7 14.224 -0.216 -0.036 54 HB2 ALA 7 HB2 ALA 7 12.509 0.185 -0.105 55 HB3 ALA 7 HB3 ALA 7 13.240 -0.777 -1.388 56 H TYR 8 HN TYR 8 12.455 -4.384 0.696 57 HA TYR 8 HA TYR 8 10.812 -4.591 -1.775 58 HB2 TYR 8 HB2 TYR 8 12.520 -6.340 -0.146 59 HB3 TYR 8 HB1 TYR 8 11.016 -7.116 -0.621 60 HD1 TYR 8 HD2 TYR 8 13.939 -5.218 -1.977 61 HD2 TYR 8 HD1 TYR 8 10.690 -7.899 -2.827 62 HE1 TYR 8 HE2 TYR 8 14.829 -5.573 -4.262 63 HE2 TYR 8 HE1 TYR 8 11.582 -8.252 -5.112 64 HH TYR 8 HH TYR 8 14.324 -7.910 -6.090 65 H ALA 9 HN ALA 9 10.572 -5.143 1.714 66 HA ALA 9 HA ALA 9 7.716 -5.863 1.567 67 HB1 ALA 9 HB1 ALA 9 9.280 -6.923 3.162 68 HB2 ALA 9 HB2 ALA 9 7.981 -6.088 4.013 69 HB3 ALA 9 HB3 ALA 9 9.580 -5.354 3.906 70 H LEU 10 HN LEU 10 9.052 -2.988 1.033 71 HA LEU 10 HA LEU 10 7.114 -1.405 2.687 72 HB2 LEU 10 HB2 LEU 10 9.816 -1.288 2.724 73 HB3 LEU 10 HB1 LEU 10 9.518 -0.191 1.386 74 HG LEU 10 HG LEU 10 8.290 0.046 4.154 75 HD11 LEU 10 HD11 LEU 10 10.719 1.187 2.851 76 HD12 LEU 10 HD12 LEU 10 10.435 0.782 4.543 77 HD13 LEU 10 HD13 LEU 10 9.768 2.269 3.870 78 HD21 LEU 10 HD21 LEU 10 7.638 2.335 3.275 79 HD22 LEU 10 HD22 LEU 10 6.789 0.997 2.502 80 HD23 LEU 10 HD23 LEU 10 8.127 1.790 1.670 81 H TYR 11 HN TYR 11 8.907 -1.432 -0.400 82 HA TYR 11 HA TYR 11 7.384 0.467 -1.842 83 HB2 TYR 11 HB2 TYR 11 9.352 -1.655 -2.338 84 HB3 TYR 11 HB1 TYR 11 8.327 -1.316 -3.725 85 HD1 TYR 11 HD2 TYR 11 8.166 1.049 -4.607 86 HD2 TYR 11 HD1 TYR 11 11.009 -0.102 -1.601 87 HE1 TYR 11 HE2 TYR 11 9.472 3.110 -5.046 88 HE2 TYR 11 HE1 TYR 11 12.312 1.957 -2.040 89 HH TYR 11 HH TYR 11 12.307 3.636 -4.544 90 H GLY 12 HN GLY 12 6.645 -2.895 -1.181 91 HA2 GLY 12 HA2 GLY 12 4.430 -2.905 -3.155 92 HA3 GLY 12 HA1 GLY 12 5.005 -4.303 -2.250 93 H VAL 13 HN VAL 13 4.982 -2.963 0.355 94 HA VAL 13 HA VAL 13 2.171 -3.360 1.021 95 HB VAL 13 HB VAL 13 4.564 -2.466 2.656 96 HG11 VAL 13 HG11 VAL 13 2.802 -1.884 4.045 97 HG12 VAL 13 HG12 VAL 13 2.987 -3.583 4.481 98 HG13 VAL 13 HG13 VAL 13 1.718 -3.093 3.358 99 HG21 VAL 13 HG21 VAL 13 3.292 -5.169 2.130 100 HG22 VAL 13 HG22 VAL 13 4.433 -4.882 3.443 101 HG23 VAL 13 HG23 VAL 13 4.946 -4.676 1.770 102 H TRP 14 HN TRP 14 4.263 -0.558 0.587 103 HA TRP 14 HA TRP 14 2.703 1.448 1.845 104 HB2 TRP 14 HB2 TRP 14 4.994 1.748 0.976 105 HB3 TRP 14 HB1 TRP 14 4.406 1.595 -0.663 106 HD1 TRP 14 HD1 TRP 14 5.103 3.998 -1.381 107 HE1 TRP 14 HE1 TRP 14 4.172 6.340 -0.854 108 HE3 TRP 14 HE3 TRP 14 2.095 2.896 2.611 109 HZ2 TRP 14 HZ2 TRP 14 2.393 7.586 1.004 110 HZ3 TRP 14 HZ3 TRP 14 0.802 4.673 3.728 111 HH2 TRP 14 HH2 TRP 14 0.943 7.019 2.936 112 HA PRO 15 HA PRO 15 0.322 2.072 -2.292 113 HB2 PRO 15 HB2 PRO 15 0.493 0.109 -4.191 114 HB3 PRO 15 HB1 PRO 15 1.575 1.518 -4.146 115 HG2 PRO 15 HG2 PRO 15 2.059 -1.260 -3.202 116 HG3 PRO 15 HG1 PRO 15 3.148 -0.148 -4.048 117 HD2 PRO 15 HD2 PRO 15 3.294 -0.593 -1.390 118 HD3 PRO 15 HD1 PRO 15 3.737 0.961 -2.122 119 H LEU 16 HN LEU 16 0.676 -1.142 -0.851 120 HA LEU 16 HA LEU 16 -1.925 -2.190 -1.490 121 HB2 LEU 16 HB2 LEU 16 0.247 -2.698 0.504 122 HB3 LEU 16 HB1 LEU 16 -1.341 -3.361 0.875 123 HG LEU 16 HG LEU 16 0.104 -3.816 -1.751 124 HD11 LEU 16 HD11 LEU 16 0.159 -5.278 0.865 125 HD12 LEU 16 HD12 LEU 16 1.454 -5.026 -0.306 126 HD13 LEU 16 HD13 LEU 16 0.197 -6.220 -0.626 127 HD21 LEU 16 HD21 LEU 16 -1.588 -5.782 -1.737 128 HD22 LEU 16 HD22 LEU 16 -2.217 -4.174 -2.085 129 HD23 LEU 16 HD23 LEU 16 -2.427 -4.873 -0.480 130 H LEU 17 HN LEU 17 -0.715 -0.291 1.246 131 HA LEU 17 HA LEU 17 -3.235 -0.126 2.659 132 HB2 LEU 17 HB2 LEU 17 -0.549 1.176 2.730 133 HB3 LEU 17 HB1 LEU 17 -1.867 2.090 3.452 134 HG LEU 17 HG LEU 17 -0.786 0.721 5.155 135 HD11 LEU 17 HD11 LEU 17 -2.714 -0.194 6.120 136 HD12 LEU 17 HD12 LEU 17 -3.366 -0.713 4.567 137 HD13 LEU 17 HD13 LEU 17 -3.371 0.996 4.999 138 HD21 LEU 17 HD21 LEU 17 0.116 -1.023 3.662 139 HD22 LEU 17 HD22 LEU 17 -1.515 -1.634 3.382 140 HD23 LEU 17 HD23 LEU 17 -0.795 -1.742 4.988 141 H LEU 18 HN LEU 18 -1.636 1.816 0.202 142 HA LEU 18 HA LEU 18 -3.490 4.019 0.100 143 HB2 LEU 18 HB2 LEU 18 -1.260 2.867 -1.466 144 HB3 LEU 18 HB1 LEU 18 -2.452 3.697 -2.460 145 HG LEU 18 HG LEU 18 -2.276 5.643 -0.815 146 HD11 LEU 18 HD11 LEU 18 0.397 4.495 -0.073 147 HD12 LEU 18 HD12 LEU 18 -1.030 4.022 0.850 148 HD13 LEU 18 HD13 LEU 18 -0.561 5.718 0.758 149 HD21 LEU 18 HD21 LEU 18 -1.206 5.645 -3.053 150 HD22 LEU 18 HD22 LEU 18 0.217 4.863 -2.364 151 HD23 LEU 18 HD23 LEU 18 -0.220 6.498 -1.865 152 H LEU 19 HN LEU 19 -3.285 0.860 -1.534 153 HA LEU 19 HA LEU 19 -5.619 1.160 -3.213 154 HB2 LEU 19 HB2 LEU 19 -3.524 -0.694 -2.725 155 HB3 LEU 19 HB1 LEU 19 -5.019 -1.574 -2.437 156 HG LEU 19 HG LEU 19 -4.760 0.147 -4.888 157 HD11 LEU 19 HD11 LEU 19 -3.919 -2.753 -4.845 158 HD12 LEU 19 HD12 LEU 19 -2.752 -1.450 -4.615 159 HD13 LEU 19 HD13 LEU 19 -3.670 -1.557 -6.116 160 HD21 LEU 19 HD21 LEU 19 -6.410 -1.365 -5.763 161 HD22 LEU 19 HD22 LEU 19 -6.925 -0.968 -4.124 162 HD23 LEU 19 HD23 LEU 19 -6.147 -2.516 -4.454 163 H LEU 20 HN LEU 20 -4.994 -0.182 -0.016 164 HA LEU 20 HA LEU 20 -7.601 -1.226 0.593 165 HB2 LEU 20 HB2 LEU 20 -5.060 -0.568 1.939 166 HB3 LEU 20 HB1 LEU 20 -6.457 -0.413 2.994 167 HG LEU 20 HG LEU 20 -6.087 -2.859 1.271 168 HD11 LEU 20 HD11 LEU 20 -5.028 -3.933 3.263 169 HD12 LEU 20 HD12 LEU 20 -4.949 -2.351 4.038 170 HD13 LEU 20 HD13 LEU 20 -4.029 -2.658 2.565 171 HD21 LEU 20 HD21 LEU 20 -8.270 -2.636 2.273 172 HD22 LEU 20 HD22 LEU 20 -7.573 -2.202 3.833 173 HD23 LEU 20 HD23 LEU 20 -7.396 -3.843 3.214 174 H LEU 21 HN LEU 21 -6.096 1.977 1.175 175 HA LEU 21 HA LEU 21 -8.308 3.165 2.565 176 HB2 LEU 21 HB2 LEU 21 -5.809 3.897 2.231 177 HB3 LEU 21 HB1 LEU 21 -6.418 4.680 0.774 178 HG LEU 21 HG LEU 21 -8.205 5.743 2.301 179 HD11 LEU 21 HD11 LEU 21 -7.413 6.003 4.676 180 HD12 LEU 21 HD12 LEU 21 -6.205 4.759 4.357 181 HD13 LEU 21 HD13 LEU 21 -7.922 4.365 4.271 182 HD21 LEU 21 HD21 LEU 21 -5.293 6.494 2.727 183 HD22 LEU 21 HD22 LEU 21 -6.683 7.562 2.921 184 HD23 LEU 21 HD23 LEU 21 -6.256 6.953 1.322 185 H ALA 22 HN ALA 22 -7.528 2.808 -0.843 186 HA ALA 22 HA ALA 22 -9.899 4.381 -1.696 187 HB1 ALA 22 HB1 ALA 22 -8.875 3.852 -3.968 188 HB2 ALA 22 HB2 ALA 22 -7.570 3.042 -3.104 189 HB3 ALA 22 HB3 ALA 22 -7.836 4.771 -2.880 190 H LEU 23 HN LEU 23 -10.269 1.806 -0.239 191 HA LEU 23 HA LEU 23 -11.676 0.236 -2.375 192 HB2 LEU 23 HB2 LEU 23 -9.443 -0.389 -0.847 193 HB3 LEU 23 HB1 LEU 23 -10.758 -1.242 -0.065 194 HG LEU 23 HG LEU 23 -9.686 -2.651 -1.785 195 HD11 LEU 23 HD11 LEU 23 -12.121 -2.890 -1.350 196 HD12 LEU 23 HD12 LEU 23 -11.693 -3.296 -3.011 197 HD13 LEU 23 HD13 LEU 23 -12.445 -1.742 -2.648 198 HD21 LEU 23 HD21 LEU 23 -9.133 -0.516 -3.196 199 HD22 LEU 23 HD22 LEU 23 -10.728 -0.778 -3.902 200 HD23 LEU 23 HD23 LEU 23 -9.487 -2.025 -4.036 201 HA PRO 24 HA PRO 24 -14.398 1.454 1.344 202 HB2 PRO 24 HB2 PRO 24 -16.060 3.159 0.001 203 HB3 PRO 24 HB1 PRO 24 -14.561 3.689 0.793 204 HG2 PRO 24 HG2 PRO 24 -15.071 3.121 -2.084 205 HG3 PRO 24 HG1 PRO 24 -14.117 4.416 -1.340 206 HD2 PRO 24 HD2 PRO 24 -12.976 2.181 -2.414 207 HD3 PRO 24 HD1 PRO 24 -12.265 3.074 -1.060 208 HA PRO 25 HA PRO 25 -17.331 -1.560 -0.111 209 HB2 PRO 25 HB2 PRO 25 -19.293 -1.243 1.754 210 HB3 PRO 25 HB1 PRO 25 -17.751 -2.054 2.100 211 HG2 PRO 25 HG2 PRO 25 -18.604 0.720 2.744 212 HG3 PRO 25 HG1 PRO 25 -17.656 -0.423 3.708 213 HD2 PRO 25 HD2 PRO 25 -16.551 1.634 2.328 214 HD3 PRO 25 HD1 PRO 25 -15.699 0.111 2.662 215 H ARG 26 HN ARG 26 -19.170 -1.611 -1.414 216 HA ARG 26 HA ARG 26 -20.436 1.022 -2.060 217 HB2 ARG 26 HB2 ARG 26 -19.895 -1.540 -3.554 218 HB3 ARG 26 HB1 ARG 26 -21.095 -0.393 -4.147 219 HG2 ARG 26 HG2 ARG 26 -18.835 1.159 -3.474 220 HG3 ARG 26 HG1 ARG 26 -18.208 -0.253 -4.321 221 HD2 ARG 26 HD2 ARG 26 -18.689 1.125 -6.135 222 HD3 ARG 26 HD1 ARG 26 -20.246 0.289 -5.979 223 HE ARG 26 HE ARG 26 -20.715 2.329 -4.309 224 HH11 ARG 26 HH11 ARG 26 -21.691 2.660 -7.093 225 HH12 ARG 26 HH12 ARG 26 -20.936 4.136 -7.586 226 HH21 ARG 26 HH21 ARG 26 -18.574 4.081 -5.027 227 HH22 ARG 26 HH22 ARG 26 -19.155 4.948 -6.407 228 H ALA 27 HN ALA 27 -21.425 -0.138 0.245 229 HA ALA 27 HA ALA 27 -23.970 -1.517 -0.518 230 HB1 ALA 27 HB1 ALA 27 -24.005 -2.083 1.912 231 HB2 ALA 27 HB2 ALA 27 -22.506 -1.177 2.120 232 HB3 ALA 27 HB3 ALA 27 -22.527 -2.631 1.120 233 H TYR 28 HN TYR 28 -23.158 1.533 -0.489 234 HA TYR 28 HA TYR 28 -25.735 2.588 0.240 235 HB2 TYR 28 HB2 TYR 28 -24.988 3.947 2.178 236 HB3 TYR 28 HB1 TYR 28 -24.860 2.227 2.504 237 HD1 TYR 28 HD2 TYR 28 -22.600 1.111 2.435 238 HD2 TYR 28 HD1 TYR 28 -23.066 5.372 2.147 239 HE1 TYR 28 HE2 TYR 28 -20.206 1.412 2.986 240 HE2 TYR 28 HE1 TYR 28 -20.669 5.671 2.701 241 HH TYR 28 HH TYR 28 -18.430 3.477 2.418 242 H ALA 29 HN ALA 29 -22.273 3.334 -0.280 243 HA ALA 29 HA ALA 29 -23.045 5.841 -1.721 244 HB1 ALA 29 HB1 ALA 29 -20.542 4.846 -0.342 245 HB2 ALA 29 HB2 ALA 29 -21.533 6.244 0.084 246 HB3 ALA 29 HB3 ALA 29 -20.541 6.276 -1.375
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