NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25235 | 2k76 | 15946 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 1H PRO 1 9.594 -9.191 0.910 2 H3 PRO 1 2H PRO 1 10.972 -9.691 1.774 3 HA PRO 1 HA PRO 1 10.837 -7.761 2.845 4 HB2 PRO 1 1HB PRO 1 11.445 -5.961 0.689 5 HB3 PRO 1 2HB PRO 1 12.557 -6.629 1.902 6 HG2 PRO 1 1HG PRO 1 12.566 -7.251 -0.790 7 HG3 PRO 1 2HG PRO 1 13.316 -8.209 0.494 8 HD2 PRO 1 1HD PRO 1 10.740 -8.685 -0.948 9 HD3 PRO 1 2HD PRO 1 11.880 -9.859 -0.257 10 H PHE 2 H PHE 2 10.147 -5.155 2.128 11 HA PHE 2 HA PHE 2 7.321 -5.479 1.216 12 HB2 PHE 2 1HB PHE 2 6.545 -4.033 2.886 13 HB3 PHE 2 2HB PHE 2 7.759 -4.990 3.732 14 HD1 PHE 2 HD2 PHE 2 10.284 -3.956 3.301 15 HD2 PHE 2 HD1 PHE 2 6.588 -1.770 3.341 16 HE1 PHE 2 HE2 PHE 2 11.521 -1.876 3.847 17 HE2 PHE 2 HE1 PHE 2 7.824 0.311 3.885 18 HZ PHE 2 HZ PHE 2 10.291 0.258 4.138 19 HA PRO 3 HA PRO 3 9.315 -2.647 -1.737 20 HB2 PRO 3 1HB PRO 3 7.054 -3.089 -3.470 21 HB3 PRO 3 2HB PRO 3 8.728 -3.611 -3.670 22 HG2 PRO 3 1HG PRO 3 6.512 -5.220 -3.063 23 HG3 PRO 3 2HG PRO 3 8.212 -5.693 -3.096 24 HD2 PRO 3 1HD PRO 3 6.487 -5.303 -0.795 25 HD3 PRO 3 2HD PRO 3 8.112 -5.990 -0.848 26 HA PRO 4 HA PRO 4 5.401 0.156 -1.833 27 HB2 PRO 4 1HB PRO 4 3.460 -0.825 0.050 28 HB3 PRO 4 2HB PRO 4 3.287 -0.637 -1.701 29 HG2 PRO 4 1HG PRO 4 3.434 -3.035 -0.283 30 HG3 PRO 4 2HG PRO 4 3.551 -2.831 -2.034 31 HD2 PRO 4 1HD PRO 4 5.679 -3.416 -0.090 32 HD3 PRO 4 2HD PRO 4 5.666 -3.623 -1.853 33 H THR 5 H THR 5 5.657 1.988 -0.626 34 HA THR 5 HA THR 5 6.345 1.661 2.261 35 HB THR 5 HB THR 5 7.079 3.809 0.253 36 HG1 THR 5 HG1 THR 5 9.179 3.113 0.860 37 HG21 THR 5 3HG2 THR 5 6.702 4.066 3.087 38 HG22 THR 5 1HG2 THR 5 7.279 5.274 1.940 39 HG23 THR 5 2HG2 THR 5 8.423 4.189 2.728 40 HA PRO 6 HA PRO 6 2.285 3.373 2.909 41 HB2 PRO 6 1HB PRO 6 3.016 4.427 5.487 42 HB3 PRO 6 2HB PRO 6 2.030 3.004 5.126 43 HG2 PRO 6 1HG PRO 6 4.754 3.139 6.028 44 HG3 PRO 6 2HG PRO 6 3.709 1.728 5.840 45 HD2 PRO 6 1HD PRO 6 5.934 2.374 4.246 46 HD3 PRO 6 2HD PRO 6 4.703 1.148 3.882 47 HA PRO 7 HA PRO 7 3.030 7.721 2.052 48 HB2 PRO 7 1HB PRO 7 0.306 8.473 2.568 49 HB3 PRO 7 2HB PRO 7 1.078 8.180 1.002 50 HG2 PRO 7 1HG PRO 7 -0.888 6.620 2.117 51 HG3 PRO 7 2HG PRO 7 0.229 6.101 0.849 52 HD2 PRO 7 1HD PRO 7 0.299 5.510 3.783 53 HD3 PRO 7 2HD PRO 7 0.777 4.503 2.401 54 H GLY 8 H GLY 8 2.844 9.912 3.060 55 HA2 GLY 8 1HA GLY 8 3.052 9.736 5.988 56 HA3 GLY 8 2HA GLY 8 3.344 11.179 5.011 57 H GLU 9 H GLU 9 1.844 11.605 7.229 58 HA GLU 9 HA GLU 9 -0.970 11.166 6.917 59 HB2 GLU 9 1HB GLU 9 0.520 13.327 8.435 60 HB3 GLU 9 2HB GLU 9 -1.207 13.002 8.593 61 HG2 GLU 9 1HG GLU 9 -0.680 10.670 9.277 62 HG3 GLU 9 2HG GLU 9 1.040 11.058 9.196 63 H GLU 10 H GLU 10 1.178 13.753 5.847 64 HA GLU 10 HA GLU 10 -0.882 15.540 4.945 65 HB2 GLU 10 1HB GLU 10 2.004 15.233 4.069 66 HB3 GLU 10 2HB GLU 10 0.956 16.572 3.595 67 HG2 GLU 10 1HG GLU 10 0.611 17.113 6.001 68 HG3 GLU 10 2HG GLU 10 1.742 15.829 6.429 69 H ALA 11 H ALA 11 0.646 12.729 3.496 70 HA ALA 11 HA ALA 11 0.040 13.178 0.779 71 HB1 ALA 11 1HB ALA 11 -0.196 10.582 0.747 72 HB2 ALA 11 2HB ALA 11 0.267 10.685 2.444 73 HB3 ALA 11 3HB ALA 11 1.359 11.284 1.196 74 HA PRO 12 HA PRO 12 -4.370 13.325 0.566 75 HB2 PRO 12 1HB PRO 12 -4.485 11.834 -1.909 76 HB3 PRO 12 2HB PRO 12 -4.640 13.583 -1.683 77 HG2 PRO 12 1HG PRO 12 -2.393 12.074 -2.689 78 HG3 PRO 12 2HG PRO 12 -2.629 13.825 -2.647 79 HD2 PRO 12 1HD PRO 12 -0.814 12.363 -1.080 80 HD3 PRO 12 2HD PRO 12 -1.300 14.048 -0.822 81 H VAL 13 H VAL 13 -6.182 11.960 0.906 82 HA VAL 13 HA VAL 13 -5.696 9.422 2.104 83 HB VAL 13 HB VAL 13 -7.727 10.932 2.429 84 HG11 VAL 13 1HG1 VAL 13 -8.204 11.220 0.003 85 HG12 VAL 13 2HG1 VAL 13 -9.600 10.609 0.890 86 HG13 VAL 13 3HG1 VAL 13 -8.632 9.511 -0.094 87 HG21 VAL 13 3HG2 VAL 13 -7.400 8.227 2.790 88 HG22 VAL 13 1HG2 VAL 13 -8.870 8.281 1.816 89 HG23 VAL 13 2HG2 VAL 13 -8.796 9.147 3.351 90 H GLU 14 H GLU 14 -6.136 10.331 -1.224 91 HA GLU 14 HA GLU 14 -7.060 7.828 -2.250 92 HB2 GLU 14 1HB GLU 14 -5.324 9.962 -3.536 93 HB3 GLU 14 2HB GLU 14 -6.060 8.615 -4.406 94 HG2 GLU 14 1HG GLU 14 -8.302 9.387 -3.641 95 HG3 GLU 14 2HG GLU 14 -7.534 10.776 -2.872 96 H ASP 15 H ASP 15 -3.895 9.079 -1.379 97 HA ASP 15 HA ASP 15 -2.322 7.012 -2.535 98 HB2 ASP 15 1HB ASP 15 -1.856 8.689 -0.055 99 HB3 ASP 15 2HB ASP 15 -0.636 7.646 -0.784 100 H LEU 16 H LEU 16 -4.027 7.260 0.556 101 HA LEU 16 HA LEU 16 -3.000 4.880 1.744 102 HB2 LEU 16 1HB LEU 16 -4.520 6.778 2.730 103 HB3 LEU 16 2HB LEU 16 -5.840 5.761 2.159 104 HG LEU 16 HG LEU 16 -5.487 5.049 4.375 105 HD11 LEU 16 1HD1 LEU 16 -3.702 3.159 2.837 106 HD12 LEU 16 2HD1 LEU 16 -5.456 3.192 2.648 107 HD13 LEU 16 3HD1 LEU 16 -4.746 2.788 4.206 108 HD21 LEU 16 3HD2 LEU 16 -2.510 4.900 3.857 109 HD22 LEU 16 1HD2 LEU 16 -3.336 4.729 5.404 110 HD23 LEU 16 2HD2 LEU 16 -3.301 6.293 4.592 111 H ILE 17 H ILE 17 -5.804 5.449 -0.388 112 HA ILE 17 HA ILE 17 -6.803 2.774 -0.349 113 HB ILE 17 HB ILE 17 -6.869 4.791 -2.619 114 HG12 ILE 17 1HG1 ILE 17 -8.918 4.180 -0.462 115 HG13 ILE 17 2HG1 ILE 17 -7.841 5.577 -0.447 116 HG21 ILE 17 1HG2 ILE 17 -7.663 2.962 -3.729 117 HG22 ILE 17 2HG2 ILE 17 -9.138 3.289 -2.820 118 HG23 ILE 17 3HG2 ILE 17 -7.994 2.079 -2.239 119 HD11 ILE 17 3HD1 ILE 17 -9.486 5.086 -2.898 120 HD12 ILE 17 1HD1 ILE 17 -8.930 6.612 -2.210 121 HD13 ILE 17 2HD1 ILE 17 -10.285 5.755 -1.475 122 H ARG 18 H ARG 18 -4.451 4.356 -2.515 123 HA ARG 18 HA ARG 18 -3.915 2.067 -4.140 124 HB2 ARG 18 1HB ARG 18 -3.182 4.335 -4.766 125 HB3 ARG 18 2HB ARG 18 -2.091 4.375 -3.383 126 HG2 ARG 18 1HG ARG 18 -0.740 3.779 -5.261 127 HG3 ARG 18 2HG ARG 18 -0.988 2.290 -4.353 128 HD2 ARG 18 1HD ARG 18 -1.307 2.048 -6.843 129 HD3 ARG 18 2HD ARG 18 -2.701 1.554 -5.886 130 HE ARG 18 HE ARG 18 -3.877 3.177 -7.109 131 HH11 ARG 18 1HH2 ARG 18 -0.535 3.961 -6.977 132 HH12 ARG 18 2HH2 ARG 18 -0.748 5.576 -7.567 133 HH21 ARG 18 1HH1 ARG 18 -4.208 5.353 -7.696 134 HH22 ARG 18 2HH1 ARG 18 -2.829 6.364 -7.973 135 H PHE 19 H PHE 19 -2.470 3.188 -1.084 136 HA PHE 19 HA PHE 19 -0.362 1.296 -0.945 137 HB2 PHE 19 1HB PHE 19 -0.716 3.213 0.651 138 HB3 PHE 19 2HB PHE 19 -2.020 2.286 1.395 139 HD1 PHE 19 HD2 PHE 19 1.623 2.380 0.736 140 HD2 PHE 19 HD1 PHE 19 -1.569 0.385 2.802 141 HE1 PHE 19 HE2 PHE 19 3.282 1.135 2.095 142 HE2 PHE 19 HE1 PHE 19 0.089 -0.863 4.161 143 HZ PHE 19 HZ PHE 19 2.515 -0.490 3.806 144 H TYR 20 H TYR 20 -3.748 1.060 0.148 145 HA TYR 20 HA TYR 20 -3.591 -1.596 1.177 146 HB2 TYR 20 1HB TYR 20 -5.539 -0.085 1.527 147 HB3 TYR 20 2HB TYR 20 -5.942 -0.233 -0.183 148 HD1 TYR 20 HD1 TYR 20 -5.636 -2.098 3.012 149 HD2 TYR 20 HD2 TYR 20 -7.034 -2.181 -1.048 150 HE1 TYR 20 HE1 TYR 20 -6.881 -4.191 3.484 151 HE2 TYR 20 HE2 TYR 20 -8.280 -4.272 -0.577 152 HH TYR 20 HH TYR 20 -7.759 -6.270 1.595 153 H ASN 21 H ASN 21 -4.191 -0.322 -2.068 154 HA ASN 21 HA ASN 21 -4.769 -2.790 -3.372 155 HB2 ASN 21 1HB ASN 21 -3.401 -0.290 -4.425 156 HB3 ASN 21 2HB ASN 21 -4.064 -1.574 -5.432 157 HD21 ASN 21 2HD2 ASN 21 -5.013 1.203 -5.437 158 HD22 ASN 21 1HD2 ASN 21 -6.628 1.174 -4.917 159 H ASP 22 H ASP 22 -1.679 -1.053 -2.911 160 HA ASP 22 HA ASP 22 -0.069 -3.053 -4.200 161 HB2 ASP 22 1HB ASP 22 0.639 -0.957 -2.123 162 HB3 ASP 22 2HB ASP 22 1.820 -1.925 -3.006 163 H LEU 23 H LEU 23 -1.052 -2.516 -0.824 164 HA LEU 23 HA LEU 23 0.565 -4.544 0.355 165 HB2 LEU 23 1HB LEU 23 -0.764 -2.817 1.615 166 HB3 LEU 23 2HB LEU 23 -2.226 -3.722 1.216 167 HG LEU 23 HG LEU 23 -1.170 -5.745 2.291 168 HD11 LEU 23 1HD1 LEU 23 0.666 -4.635 4.028 169 HD12 LEU 23 2HD1 LEU 23 1.024 -3.801 2.516 170 HD13 LEU 23 3HD1 LEU 23 1.072 -5.562 2.584 171 HD21 LEU 23 3HD2 LEU 23 -1.191 -3.611 4.378 172 HD22 LEU 23 1HD2 LEU 23 -2.032 -5.161 4.350 173 HD23 LEU 23 2HD2 LEU 23 -2.653 -3.805 3.409 174 H GLN 24 H GLN 24 -2.646 -4.672 -1.165 175 HA GLN 24 HA GLN 24 -3.242 -7.388 -0.556 176 HB2 GLN 24 1HB GLN 24 -4.814 -5.700 -1.621 177 HB3 GLN 24 2HB GLN 24 -3.950 -5.961 -3.136 178 HG2 GLN 24 1HG GLN 24 -4.468 -8.387 -2.992 179 HG3 GLN 24 2HG GLN 24 -5.386 -8.087 -1.517 180 HE21 GLN 24 2HE2 GLN 24 -5.965 -5.342 -3.182 181 HE22 GLN 24 1HE2 GLN 24 -7.339 -5.797 -4.068 182 H GLN 25 H GLN 25 -1.365 -5.903 -3.178 183 HA GLN 25 HA GLN 25 -0.867 -8.293 -4.663 184 HB2 GLN 25 1HB GLN 25 0.904 -5.850 -4.304 185 HB3 GLN 25 2HB GLN 25 1.104 -7.076 -5.556 186 HG2 GLN 25 1HG GLN 25 -1.356 -5.338 -5.185 187 HG3 GLN 25 2HG GLN 25 -0.119 -5.107 -6.421 188 HE21 GLN 25 2HE2 GLN 25 -3.144 -6.081 -6.391 189 HE22 GLN 25 1HE2 GLN 25 -3.100 -7.416 -7.439 190 H TYR 26 H TYR 26 0.784 -6.852 -1.876 191 HA TYR 26 HA TYR 26 3.050 -8.507 -1.725 192 HB2 TYR 26 1HB TYR 26 2.777 -6.602 -0.242 193 HB3 TYR 26 2HB TYR 26 1.367 -7.351 0.509 194 HD1 TYR 26 HD2 TYR 26 5.025 -7.599 0.058 195 HD2 TYR 26 HD1 TYR 26 1.585 -9.115 2.133 196 HE1 TYR 26 HE2 TYR 26 6.515 -8.809 1.634 197 HE2 TYR 26 HE1 TYR 26 3.071 -10.326 3.710 198 HH TYR 26 HH TYR 26 5.519 -10.012 4.539 199 H LEU 27 H LEU 27 -0.161 -9.014 -0.237 200 HA LEU 27 HA LEU 27 0.443 -11.535 0.936 201 HB2 LEU 27 1HB LEU 27 -2.114 -10.268 -0.019 202 HB3 LEU 27 2HB LEU 27 -2.099 -11.853 0.759 203 HG LEU 27 HG LEU 27 -0.929 -9.326 1.965 204 HD11 LEU 27 1HD1 LEU 27 -3.601 -10.697 2.297 205 HD12 LEU 27 2HD1 LEU 27 -3.282 -8.998 1.949 206 HD13 LEU 27 3HD1 LEU 27 -2.933 -9.651 3.550 207 HD21 LEU 27 3HD2 LEU 27 0.112 -10.851 3.280 208 HD22 LEU 27 1HD2 LEU 27 -0.861 -12.177 2.641 209 HD23 LEU 27 2HD2 LEU 27 -1.481 -11.182 3.960 210 H ASN 28 H ASN 28 -1.064 -10.799 -2.241 211 HA ASN 28 HA ASN 28 -1.196 -13.568 -3.048 212 HB2 ASN 28 1HB ASN 28 -1.070 -11.053 -4.749 213 HB3 ASN 28 2HB ASN 28 -1.556 -12.651 -5.314 214 HD21 ASN 28 2HD2 ASN 28 -2.407 -10.945 -2.258 215 HD22 ASN 28 1HD2 ASN 28 -4.082 -11.002 -2.518 216 H VAL 29 H VAL 29 1.153 -10.990 -3.363 217 HA VAL 29 HA VAL 29 2.991 -12.356 -5.100 218 HB VAL 29 HB VAL 29 3.324 -10.095 -3.121 219 HG11 VAL 29 1HG1 VAL 29 5.267 -11.419 -4.972 220 HG12 VAL 29 2HG1 VAL 29 5.521 -10.805 -3.337 221 HG13 VAL 29 3HG1 VAL 29 5.386 -9.682 -4.690 222 HG21 VAL 29 3HG2 VAL 29 1.973 -10.156 -5.503 223 HG22 VAL 29 1HG2 VAL 29 3.578 -9.640 -6.019 224 HG23 VAL 29 2HG2 VAL 29 2.698 -8.707 -4.809 225 H VAL 30 H VAL 30 2.663 -12.114 -1.573 226 HA VAL 30 HA VAL 30 3.786 -13.252 0.149 227 HB VAL 30 HB VAL 30 3.659 -15.365 -2.019 228 HG11 VAL 30 1HG1 VAL 30 3.761 -16.754 0.304 229 HG12 VAL 30 2HG1 VAL 30 4.795 -15.390 0.725 230 HG13 VAL 30 3HG1 VAL 30 5.192 -16.399 -0.665 231 HG21 VAL 30 3HG2 VAL 30 1.885 -16.120 -0.149 232 HG22 VAL 30 1HG2 VAL 30 1.452 -15.013 -1.451 233 HG23 VAL 30 2HG2 VAL 30 1.856 -14.382 0.146 Start of MODEL 2 1 H2 PRO 1 1H PRO 1 10.860 -5.169 3.876 2 H3 PRO 1 2H PRO 1 12.440 -5.618 3.434 3 HA PRO 1 HA PRO 1 11.756 -7.354 2.247 4 HB2 PRO 1 1HB PRO 1 9.434 -8.314 3.635 5 HB3 PRO 1 2HB PRO 1 11.040 -9.063 3.545 6 HG2 PRO 1 1HG PRO 1 9.852 -7.466 5.680 7 HG3 PRO 1 2HG PRO 1 11.243 -8.558 5.727 8 HD2 PRO 1 1HD PRO 1 11.477 -5.829 5.915 9 HD3 PRO 1 2HD PRO 1 12.756 -6.870 5.256 10 H PHE 2 H PHE 2 8.738 -6.115 3.741 11 HA PHE 2 HA PHE 2 7.192 -6.237 1.372 12 HB2 PHE 2 1HB PHE 2 5.571 -4.949 2.522 13 HB3 PHE 2 2HB PHE 2 6.425 -5.824 3.793 14 HD1 PHE 2 HD1 PHE 2 8.729 -4.528 4.516 15 HD2 PHE 2 HD2 PHE 2 5.166 -2.707 2.957 16 HE1 PHE 2 HE1 PHE 2 9.368 -2.376 5.574 17 HE2 PHE 2 HE2 PHE 2 5.804 -0.554 4.013 18 HZ PHE 2 HZ PHE 2 7.905 -0.389 5.321 19 HA PRO 3 HA PRO 3 9.472 -2.988 -0.791 20 HB2 PRO 3 1HB PRO 3 7.603 -3.196 -2.968 21 HB3 PRO 3 2HB PRO 3 9.277 -3.747 -2.890 22 HG2 PRO 3 1HG PRO 3 6.937 -5.320 -2.870 23 HG3 PRO 3 2HG PRO 3 8.613 -5.854 -2.716 24 HD2 PRO 3 1HD PRO 3 6.579 -5.758 -0.680 25 HD3 PRO 3 2HD PRO 3 8.224 -6.383 -0.551 26 HA PRO 4 HA PRO 4 5.486 -0.267 -1.409 27 HB2 PRO 4 1HB PRO 4 3.461 -1.280 0.360 28 HB3 PRO 4 2HB PRO 4 3.397 -1.108 -1.399 29 HG2 PRO 4 1HG PRO 4 3.574 -3.490 0.091 30 HG3 PRO 4 2HG PRO 4 3.654 -3.304 -1.663 31 HD2 PRO 4 1HD PRO 4 5.801 -3.927 0.195 32 HD3 PRO 4 2HD PRO 4 5.824 -3.940 -1.580 33 H THR 5 H THR 5 5.386 1.599 -0.197 34 HA THR 5 HA THR 5 5.879 1.351 2.743 35 HB THR 5 HB THR 5 6.881 3.547 0.906 36 HG1 THR 5 HG1 THR 5 8.393 2.167 0.515 37 HG21 THR 5 3HG2 THR 5 8.039 4.389 2.814 38 HG22 THR 5 1HG2 THR 5 7.664 2.951 3.764 39 HG23 THR 5 2HG2 THR 5 6.384 4.090 3.345 40 HA PRO 6 HA PRO 6 1.931 3.389 2.937 41 HB2 PRO 6 1HB PRO 6 2.525 4.596 5.482 42 HB3 PRO 6 2HB PRO 6 1.493 3.198 5.148 43 HG2 PRO 6 1HG PRO 6 4.142 3.273 6.257 44 HG3 PRO 6 2HG PRO 6 3.042 1.901 6.088 45 HD2 PRO 6 1HD PRO 6 5.416 2.325 4.632 46 HD3 PRO 6 2HD PRO 6 4.160 1.123 4.273 47 HA PRO 7 HA PRO 7 2.942 7.624 1.834 48 HB2 PRO 7 1HB PRO 7 0.281 8.598 2.293 49 HB3 PRO 7 2HB PRO 7 1.036 8.173 0.750 50 HG2 PRO 7 1HG PRO 7 -1.038 6.818 1.969 51 HG3 PRO 7 2HG PRO 7 -0.014 6.195 0.671 52 HD2 PRO 7 1HD PRO 7 0.051 5.578 3.582 53 HD3 PRO 7 2HD PRO 7 0.533 4.587 2.191 54 H GLY 8 H GLY 8 2.831 9.903 2.722 55 HA2 GLY 8 1HA GLY 8 3.092 9.839 5.654 56 HA3 GLY 8 2HA GLY 8 3.458 11.216 4.611 57 H GLU 9 H GLU 9 2.059 11.883 6.800 58 HA GLU 9 HA GLU 9 -0.790 11.607 6.616 59 HB2 GLU 9 1HB GLU 9 0.911 13.733 7.951 60 HB3 GLU 9 2HB GLU 9 -0.830 13.563 8.179 61 HG2 GLU 9 1HG GLU 9 1.227 11.418 8.788 62 HG3 GLU 9 2HG GLU 9 0.439 12.441 9.989 63 H GLU 10 H GLU 10 1.469 13.994 5.315 64 HA GLU 10 HA GLU 10 -0.516 15.856 4.395 65 HB2 GLU 10 1HB GLU 10 2.292 15.317 3.387 66 HB3 GLU 10 2HB GLU 10 1.308 16.704 2.920 67 HG2 GLU 10 1HG GLU 10 2.546 17.598 4.682 68 HG3 GLU 10 2HG GLU 10 1.090 17.058 5.521 69 H ALA 11 H ALA 11 0.836 12.910 3.005 70 HA ALA 11 HA ALA 11 0.050 13.263 0.315 71 HB1 ALA 11 1HB ALA 11 1.282 11.268 1.636 72 HB2 ALA 11 2HB ALA 11 0.542 11.031 0.053 73 HB3 ALA 11 3HB ALA 11 -0.329 10.560 1.512 74 HA PRO 12 HA PRO 12 -4.363 13.517 0.484 75 HB2 PRO 12 1HB PRO 12 -4.723 11.963 -1.929 76 HB3 PRO 12 2HB PRO 12 -4.831 13.719 -1.740 77 HG2 PRO 12 1HG PRO 12 -2.703 12.145 -2.895 78 HG3 PRO 12 2HG PRO 12 -2.912 13.899 -2.889 79 HD2 PRO 12 1HD PRO 12 -0.981 12.463 -1.447 80 HD3 PRO 12 2HD PRO 12 -1.430 14.160 -1.187 81 H VAL 13 H VAL 13 -6.194 12.158 0.931 82 HA VAL 13 HA VAL 13 -5.597 9.654 2.179 83 HB VAL 13 HB VAL 13 -7.946 9.480 2.563 84 HG11 VAL 13 1HG1 VAL 13 -6.953 12.324 2.470 85 HG12 VAL 13 2HG1 VAL 13 -7.113 11.263 3.869 86 HG13 VAL 13 3HG1 VAL 13 -8.552 11.931 3.100 87 HG21 VAL 13 3HG2 VAL 13 -9.051 9.681 0.536 88 HG22 VAL 13 1HG2 VAL 13 -8.105 11.085 0.044 89 HG23 VAL 13 2HG2 VAL 13 -9.400 11.266 1.227 90 H GLU 14 H GLU 14 -6.582 10.525 -1.079 91 HA GLU 14 HA GLU 14 -7.464 7.959 -1.958 92 HB2 GLU 14 1HB GLU 14 -7.698 10.097 -3.268 93 HB3 GLU 14 2HB GLU 14 -5.964 10.034 -3.588 94 HG2 GLU 14 1HG GLU 14 -6.268 7.789 -4.627 95 HG3 GLU 14 2HG GLU 14 -8.010 7.941 -4.386 96 H ASP 15 H ASP 15 -4.296 9.444 -1.602 97 HA ASP 15 HA ASP 15 -2.758 7.470 -2.930 98 HB2 ASP 15 1HB ASP 15 -1.901 9.686 -2.094 99 HB3 ASP 15 2HB ASP 15 -1.944 9.026 -0.459 100 H LEU 16 H LEU 16 -3.989 7.656 0.390 101 HA LEU 16 HA LEU 16 -2.659 5.352 1.414 102 HB2 LEU 16 1HB LEU 16 -3.947 7.039 2.773 103 HB3 LEU 16 2HB LEU 16 -5.436 6.316 2.163 104 HG LEU 16 HG LEU 16 -3.439 4.438 3.316 105 HD11 LEU 16 1HD1 LEU 16 -4.785 6.629 4.854 106 HD12 LEU 16 2HD1 LEU 16 -3.193 5.910 5.094 107 HD13 LEU 16 3HD1 LEU 16 -4.640 5.039 5.603 108 HD21 LEU 16 3HD2 LEU 16 -6.428 4.744 3.741 109 HD22 LEU 16 1HD2 LEU 16 -5.445 3.323 4.091 110 HD23 LEU 16 2HD2 LEU 16 -5.722 3.813 2.422 111 H ILE 17 H ILE 17 -5.733 5.720 -0.343 112 HA ILE 17 HA ILE 17 -6.612 3.026 -0.123 113 HB ILE 17 HB ILE 17 -6.960 4.977 -2.416 114 HG12 ILE 17 1HG1 ILE 17 -8.793 4.252 -0.106 115 HG13 ILE 17 2HG1 ILE 17 -7.827 5.723 -0.196 116 HG21 ILE 17 1HG2 ILE 17 -9.111 3.373 -2.561 117 HG22 ILE 17 2HG2 ILE 17 -7.953 2.216 -1.905 118 HG23 ILE 17 3HG2 ILE 17 -7.620 3.026 -3.436 119 HD11 ILE 17 3HD1 ILE 17 -9.450 5.224 -2.600 120 HD12 ILE 17 1HD1 ILE 17 -9.252 6.707 -1.665 121 HD13 ILE 17 2HD1 ILE 17 -10.402 5.479 -1.137 122 H ARG 18 H ARG 18 -4.569 4.556 -2.635 123 HA ARG 18 HA ARG 18 -4.179 2.187 -4.162 124 HB2 ARG 18 1HB ARG 18 -2.312 4.544 -3.777 125 HB3 ARG 18 2HB ARG 18 -2.148 3.317 -5.034 126 HG2 ARG 18 1HG ARG 18 -4.632 3.942 -5.596 127 HG3 ARG 18 2HG ARG 18 -4.260 5.433 -4.727 128 HD2 ARG 18 1HD ARG 18 -3.748 5.859 -7.027 129 HD3 ARG 18 2HD ARG 18 -2.198 5.631 -6.214 130 HE ARG 18 HE ARG 18 -3.116 3.108 -7.207 131 HH11 ARG 18 1HH1 ARG 18 -3.309 5.697 -9.161 132 HH12 ARG 18 2HH1 ARG 18 -1.972 5.311 -10.191 133 HH21 ARG 18 1HH2 ARG 18 -0.759 2.804 -8.124 134 HH22 ARG 18 2HH2 ARG 18 -0.529 3.671 -9.606 135 H PHE 19 H PHE 19 -2.469 3.450 -1.319 136 HA PHE 19 HA PHE 19 -0.305 1.626 -1.285 137 HB2 PHE 19 1HB PHE 19 -0.477 3.482 0.322 138 HB3 PHE 19 2HB PHE 19 -1.884 2.720 1.067 139 HD1 PHE 19 HD2 PHE 19 1.750 2.267 0.367 140 HD2 PHE 19 HD1 PHE 19 -1.646 0.975 2.659 141 HE1 PHE 19 HE2 PHE 19 3.235 0.886 1.796 142 HE2 PHE 19 HE1 PHE 19 -0.158 -0.403 4.087 143 HZ PHE 19 HZ PHE 19 2.283 -0.446 3.656 144 H TYR 20 H TYR 20 -3.633 1.284 -0.102 145 HA TYR 20 HA TYR 20 -3.356 -1.314 1.033 146 HB2 TYR 20 1HB TYR 20 -5.348 0.152 1.343 147 HB3 TYR 20 2HB TYR 20 -5.783 -0.119 -0.343 148 HD1 TYR 20 HD1 TYR 20 -5.256 -1.816 2.928 149 HD2 TYR 20 HD2 TYR 20 -6.887 -2.106 -1.035 150 HE1 TYR 20 HE1 TYR 20 -6.414 -3.917 3.559 151 HE2 TYR 20 HE2 TYR 20 -8.043 -4.209 -0.405 152 HH TYR 20 HH TYR 20 -8.670 -5.142 2.559 153 H ASN 21 H ASN 21 -4.011 -0.228 -2.281 154 HA ASN 21 HA ASN 21 -4.597 -2.757 -3.429 155 HB2 ASN 21 1HB ASN 21 -4.490 -1.666 -5.444 156 HB3 ASN 21 2HB ASN 21 -4.501 -0.243 -4.405 157 HD21 ASN 21 2HD2 ASN 21 -2.918 1.218 -5.051 158 HD22 ASN 21 1HD2 ASN 21 -1.387 0.801 -5.650 159 H ASP 22 H ASP 22 -1.440 -1.101 -3.074 160 HA ASP 22 HA ASP 22 0.122 -3.156 -4.275 161 HB2 ASP 22 1HB ASP 22 0.823 -1.181 -2.081 162 HB3 ASP 22 2HB ASP 22 2.002 -2.207 -2.899 163 H LEU 23 H LEU 23 -1.051 -2.720 -0.959 164 HA LEU 23 HA LEU 23 0.381 -4.864 0.245 165 HB2 LEU 23 1HB LEU 23 -0.996 -3.147 1.471 166 HB3 LEU 23 2HB LEU 23 -2.445 -3.980 0.907 167 HG LEU 23 HG LEU 23 -1.454 -6.098 1.950 168 HD11 LEU 23 1HD1 LEU 23 0.112 -5.426 3.921 169 HD12 LEU 23 2HD1 LEU 23 0.434 -3.979 2.965 170 HD13 LEU 23 3HD1 LEU 23 0.812 -5.572 2.309 171 HD21 LEU 23 3HD2 LEU 23 -2.817 -3.840 3.145 172 HD22 LEU 23 1HD2 LEU 23 -1.829 -4.662 4.353 173 HD23 LEU 23 2HD2 LEU 23 -3.048 -5.561 3.451 174 H GLN 24 H GLN 24 -2.653 -4.778 -1.585 175 HA GLN 24 HA GLN 24 -3.463 -7.471 -1.158 176 HB2 GLN 24 1HB GLN 24 -4.826 -5.673 -2.288 177 HB3 GLN 24 2HB GLN 24 -3.801 -5.864 -3.710 178 HG2 GLN 24 1HG GLN 24 -4.425 -8.290 -3.770 179 HG3 GLN 24 2HG GLN 24 -5.553 -7.991 -2.446 180 HE21 GLN 24 2HE2 GLN 24 -7.644 -7.463 -3.100 181 HE22 GLN 24 1HE2 GLN 24 -8.058 -6.816 -4.613 182 H GLN 25 H GLN 25 -1.327 -6.039 -3.629 183 HA GLN 25 HA GLN 25 -0.792 -8.501 -5.010 184 HB2 GLN 25 1HB GLN 25 -0.278 -6.257 -5.952 185 HB3 GLN 25 2HB GLN 25 0.986 -6.058 -4.738 186 HG2 GLN 25 1HG GLN 25 2.094 -8.118 -5.602 187 HG3 GLN 25 2HG GLN 25 0.871 -8.210 -6.870 188 HE21 GLN 25 2HE2 GLN 25 3.586 -7.904 -7.593 189 HE22 GLN 25 1HE2 GLN 25 3.822 -6.348 -8.229 190 H TYR 26 H TYR 26 0.710 -6.899 -2.244 191 HA TYR 26 HA TYR 26 3.043 -8.471 -1.997 192 HB2 TYR 26 1HB TYR 26 2.751 -6.517 -0.618 193 HB3 TYR 26 2HB TYR 26 1.291 -7.189 0.112 194 HD1 TYR 26 HD2 TYR 26 4.953 -7.786 -0.284 195 HD2 TYR 26 HD1 TYR 26 1.411 -8.578 2.010 196 HE1 TYR 26 HE2 TYR 26 6.330 -8.915 1.445 197 HE2 TYR 26 HE1 TYR 26 2.786 -9.710 3.739 198 HH TYR 26 HH TYR 26 6.293 -9.641 3.635 199 H LEU 27 H LEU 27 -0.186 -9.047 -0.581 200 HA LEU 27 HA LEU 27 0.585 -11.516 0.685 201 HB2 LEU 27 1HB LEU 27 -2.103 -10.397 -0.113 202 HB3 LEU 27 2HB LEU 27 -1.907 -11.873 0.832 203 HG LEU 27 HG LEU 27 -0.891 -9.119 1.605 204 HD11 LEU 27 1HD1 LEU 27 -3.332 -10.714 2.252 205 HD12 LEU 27 2HD1 LEU 27 -3.140 -8.966 2.104 206 HD13 LEU 27 3HD1 LEU 27 -2.591 -9.794 3.562 207 HD21 LEU 27 3HD2 LEU 27 -0.503 -11.876 2.702 208 HD22 LEU 27 1HD2 LEU 27 -0.696 -10.554 3.854 209 HD23 LEU 27 2HD2 LEU 27 0.617 -10.514 2.677 210 H ASN 28 H ASN 28 -0.917 -10.756 -2.452 211 HA ASN 28 HA ASN 28 -1.453 -13.461 -3.209 212 HB2 ASN 28 1HB ASN 28 -0.870 -11.027 -4.921 213 HB3 ASN 28 2HB ASN 28 -1.502 -12.556 -5.533 214 HD21 ASN 28 2HD2 ASN 28 -2.445 -11.266 -2.370 215 HD22 ASN 28 1HD2 ASN 28 -4.052 -10.920 -2.794 216 H VAL 29 H VAL 29 1.405 -11.393 -3.744 217 HA VAL 29 HA VAL 29 2.798 -13.490 -5.205 218 HB VAL 29 HB VAL 29 4.679 -11.933 -5.179 219 HG11 VAL 29 1HG1 VAL 29 3.599 -10.047 -6.310 220 HG12 VAL 29 2HG1 VAL 29 2.048 -10.490 -5.596 221 HG13 VAL 29 3HG1 VAL 29 2.814 -11.557 -6.774 222 HG21 VAL 29 3HG2 VAL 29 4.712 -11.001 -3.021 223 HG22 VAL 29 1HG2 VAL 29 2.999 -10.588 -3.078 224 HG23 VAL 29 2HG2 VAL 29 4.161 -9.657 -4.021 225 H VAL 30 H VAL 30 2.641 -12.368 -1.876 226 HA VAL 30 HA VAL 30 3.617 -13.225 0.078 227 HB VAL 30 HB VAL 30 3.605 -15.654 -1.724 228 HG11 VAL 30 1HG1 VAL 30 5.405 -16.017 -0.157 229 HG12 VAL 30 2HG1 VAL 30 4.012 -16.930 0.424 230 HG13 VAL 30 3HG1 VAL 30 4.436 -15.395 1.179 231 HG21 VAL 30 3HG2 VAL 30 1.397 -15.094 -1.118 232 HG22 VAL 30 1HG2 VAL 30 1.879 -14.552 0.490 233 HG23 VAL 30 2HG2 VAL 30 1.857 -16.275 0.109 Start of MODEL 3 1 H2 PRO 1 1H PRO 1 8.181 -5.631 -4.945 2 H3 PRO 1 2H PRO 1 7.495 -6.877 -5.879 3 HA PRO 1 HA PRO 1 7.301 -8.013 -3.993 4 HB2 PRO 1 1HB PRO 1 10.079 -8.433 -3.384 5 HB3 PRO 1 2HB PRO 1 8.966 -9.531 -4.223 6 HG2 PRO 1 1HG PRO 1 11.104 -8.226 -5.387 7 HG3 PRO 1 2HG PRO 1 9.732 -8.933 -6.251 8 HD2 PRO 1 1HD PRO 1 10.275 -6.062 -5.611 9 HD3 PRO 1 2HD PRO 1 9.420 -6.767 -6.999 10 H PHE 2 H PHE 2 9.716 -5.447 -3.722 11 HA PHE 2 HA PHE 2 10.080 -5.388 -0.949 12 HB2 PHE 2 1HB PHE 2 10.105 -3.257 -3.060 13 HB3 PHE 2 2HB PHE 2 10.200 -2.773 -1.379 14 HD1 PHE 2 HD2 PHE 2 11.903 -4.084 0.115 15 HD2 PHE 2 HD1 PHE 2 12.023 -3.921 -4.169 16 HE1 PHE 2 HE2 PHE 2 14.295 -4.738 0.155 17 HE2 PHE 2 HE1 PHE 2 14.414 -4.576 -4.139 18 HZ PHE 2 HZ PHE 2 15.555 -4.984 -1.971 19 HA PRO 3 HA PRO 3 6.118 -4.225 0.618 20 HB2 PRO 3 1HB PRO 3 7.153 -2.692 2.828 21 HB3 PRO 3 2HB PRO 3 6.503 -4.336 2.837 22 HG2 PRO 3 1HG PRO 3 9.132 -3.640 3.275 23 HG3 PRO 3 2HG PRO 3 8.544 -5.253 2.849 24 HD2 PRO 3 1HD PRO 3 9.900 -3.237 1.165 25 HD3 PRO 3 2HD PRO 3 9.880 -5.004 1.020 26 HA PRO 4 HA PRO 4 5.080 -0.278 -1.064 27 HB2 PRO 4 1HB PRO 4 3.018 0.242 0.864 28 HB3 PRO 4 2HB PRO 4 2.834 -0.331 -0.800 29 HG2 PRO 4 1HG PRO 4 2.624 -1.802 1.676 30 HG3 PRO 4 2HG PRO 4 2.184 -2.294 0.037 31 HD2 PRO 4 1HD PRO 4 4.338 -3.296 1.504 32 HD3 PRO 4 2HD PRO 4 4.130 -3.444 -0.252 33 H THR 5 H THR 5 5.468 1.924 -0.646 34 HA THR 5 HA THR 5 6.335 2.603 2.137 35 HB THR 5 HB THR 5 8.318 2.429 0.756 36 HG1 THR 5 HG1 THR 5 7.749 5.180 0.751 37 HG21 THR 5 3HG2 THR 5 7.413 4.540 -1.135 38 HG22 THR 5 1HG2 THR 5 6.725 2.930 -1.350 39 HG23 THR 5 2HG2 THR 5 8.472 3.158 -1.412 40 HA PRO 6 HA PRO 6 2.813 5.295 0.706 41 HB2 PRO 6 1HB PRO 6 2.245 5.779 3.487 42 HB3 PRO 6 2HB PRO 6 1.272 4.883 2.312 43 HG2 PRO 6 1HG PRO 6 2.911 3.883 4.442 44 HG3 PRO 6 2HG PRO 6 1.823 3.001 3.367 45 HD2 PRO 6 1HD PRO 6 4.640 2.896 3.365 46 HD3 PRO 6 2HD PRO 6 3.560 2.221 2.131 47 HA PRO 7 HA PRO 7 5.010 9.097 1.423 48 HB2 PRO 7 1HB PRO 7 2.676 10.770 1.501 49 HB3 PRO 7 2HB PRO 7 3.806 10.529 0.162 50 HG2 PRO 7 1HG PRO 7 1.160 9.659 0.296 51 HG3 PRO 7 2HG PRO 7 2.373 9.194 -0.902 52 HD2 PRO 7 1HD PRO 7 1.296 7.633 1.346 53 HD3 PRO 7 2HD PRO 7 2.179 7.091 -0.094 54 H GLY 8 H GLY 8 1.893 9.456 3.154 55 HA2 GLY 8 1HA GLY 8 2.772 9.167 5.780 56 HA3 GLY 8 2HA GLY 8 3.131 10.846 5.374 57 H GLU 9 H GLU 9 1.334 10.545 7.352 58 HA GLU 9 HA GLU 9 -1.394 10.208 6.577 59 HB2 GLU 9 1HB GLU 9 -0.563 10.243 8.945 60 HB3 GLU 9 2HB GLU 9 -0.337 11.987 8.788 61 HG2 GLU 9 1HG GLU 9 -2.746 12.226 8.219 62 HG3 GLU 9 2HG GLU 9 -2.957 10.494 8.474 63 H GLU 10 H GLU 10 0.773 12.971 6.405 64 HA GLU 10 HA GLU 10 -1.165 15.015 6.019 65 HB2 GLU 10 1HB GLU 10 1.642 14.756 4.896 66 HB3 GLU 10 2HB GLU 10 0.680 16.234 4.844 67 HG2 GLU 10 1HG GLU 10 1.574 14.757 7.337 68 HG3 GLU 10 2HG GLU 10 2.170 16.318 6.775 69 H ALA 11 H ALA 11 0.128 12.600 3.813 70 HA ALA 11 HA ALA 11 -0.821 13.814 1.390 71 HB1 ALA 11 1HB ALA 11 -0.857 10.909 1.308 72 HB2 ALA 11 2HB ALA 11 0.613 11.503 2.080 73 HB3 ALA 11 3HB ALA 11 0.196 12.033 0.450 74 HA PRO 12 HA PRO 12 -5.186 13.356 1.559 75 HB2 PRO 12 1HB PRO 12 -5.414 12.124 -1.050 76 HB3 PRO 12 2HB PRO 12 -5.742 13.807 -0.608 77 HG2 PRO 12 1HG PRO 12 -3.421 12.675 -1.947 78 HG3 PRO 12 2HG PRO 12 -3.912 14.367 -1.790 79 HD2 PRO 12 1HD PRO 12 -1.735 13.233 -0.509 80 HD3 PRO 12 2HD PRO 12 -2.561 14.713 0.024 81 H VAL 13 H VAL 13 -6.746 11.739 1.985 82 HA VAL 13 HA VAL 13 -5.846 9.187 2.822 83 HB VAL 13 HB VAL 13 -8.001 10.302 3.510 84 HG11 VAL 13 1HG1 VAL 13 -8.435 10.308 0.728 85 HG12 VAL 13 2HG1 VAL 13 -9.580 10.792 1.979 86 HG13 VAL 13 3HG1 VAL 13 -9.582 9.135 1.376 87 HG21 VAL 13 3HG2 VAL 13 -7.605 7.476 2.769 88 HG22 VAL 13 1HG2 VAL 13 -9.296 7.941 2.951 89 HG23 VAL 13 2HG2 VAL 13 -8.168 8.170 4.288 90 H GLU 14 H GLU 14 -6.571 10.350 -0.349 91 HA GLU 14 HA GLU 14 -7.342 7.907 -1.611 92 HB2 GLU 14 1HB GLU 14 -5.747 10.246 -2.721 93 HB3 GLU 14 2HB GLU 14 -6.465 8.963 -3.695 94 HG2 GLU 14 1HG GLU 14 -8.706 9.575 -2.825 95 HG3 GLU 14 2HG GLU 14 -7.973 10.894 -1.908 96 H ASP 15 H ASP 15 -4.248 9.292 -0.688 97 HA ASP 15 HA ASP 15 -2.576 7.443 -2.058 98 HB2 ASP 15 1HB ASP 15 -2.136 8.960 0.529 99 HB3 ASP 15 2HB ASP 15 -0.872 8.071 -0.324 100 H LEU 16 H LEU 16 -4.153 7.344 1.114 101 HA LEU 16 HA LEU 16 -2.951 4.958 2.089 102 HB2 LEU 16 1HB LEU 16 -4.405 6.441 3.460 103 HB3 LEU 16 2HB LEU 16 -5.800 5.925 2.513 104 HG LEU 16 HG LEU 16 -5.245 3.543 3.186 105 HD11 LEU 16 1HD1 LEU 16 -3.149 3.330 4.042 106 HD12 LEU 16 2HD1 LEU 16 -3.893 3.856 5.552 107 HD13 LEU 16 3HD1 LEU 16 -3.071 5.026 4.519 108 HD21 LEU 16 3HD2 LEU 16 -5.697 5.175 5.666 109 HD22 LEU 16 1HD2 LEU 16 -6.531 3.719 5.123 110 HD23 LEU 16 2HD2 LEU 16 -6.874 5.269 4.355 111 H ILE 17 H ILE 17 -5.765 5.482 -0.019 112 HA ILE 17 HA ILE 17 -6.658 2.799 -0.237 113 HB ILE 17 HB ILE 17 -6.636 5.099 -2.193 114 HG12 ILE 17 1HG1 ILE 17 -8.904 3.668 -0.778 115 HG13 ILE 17 2HG1 ILE 17 -8.138 5.136 -0.172 116 HG21 ILE 17 1HG2 ILE 17 -7.646 2.276 -2.557 117 HG22 ILE 17 2HG2 ILE 17 -6.535 3.172 -3.594 118 HG23 ILE 17 3HG2 ILE 17 -8.237 3.630 -3.520 119 HD11 ILE 17 3HD1 ILE 17 -9.586 6.306 -1.447 120 HD12 ILE 17 1HD1 ILE 17 -10.141 4.841 -2.256 121 HD13 ILE 17 2HD1 ILE 17 -8.721 5.695 -2.857 122 H ARG 18 H ARG 18 -4.242 4.529 -2.258 123 HA ARG 18 HA ARG 18 -3.599 2.364 -3.949 124 HB2 ARG 18 1HB ARG 18 -2.728 4.752 -4.115 125 HB3 ARG 18 2HB ARG 18 -1.573 4.333 -2.850 126 HG2 ARG 18 1HG ARG 18 -1.563 2.291 -4.892 127 HG3 ARG 18 2HG ARG 18 -1.309 3.872 -5.630 128 HD2 ARG 18 1HD ARG 18 0.791 2.663 -4.808 129 HD3 ARG 18 2HD ARG 18 0.581 4.324 -4.247 130 HE ARG 18 HE ARG 18 -0.609 2.448 -2.399 131 HH11 ARG 18 1HH1 ARG 18 2.525 2.570 -3.590 132 HH12 ARG 18 2HH1 ARG 18 3.283 2.882 -2.064 133 HH21 ARG 18 1HH2 ARG 18 0.298 3.389 -0.378 134 HH22 ARG 18 2HH2 ARG 18 2.024 3.345 -0.248 135 H PHE 19 H PHE 19 -2.343 3.196 -0.730 136 HA PHE 19 HA PHE 19 -0.441 1.076 -0.526 137 HB2 PHE 19 1HB PHE 19 -0.554 2.952 1.090 138 HB3 PHE 19 2HB PHE 19 -2.102 2.339 1.676 139 HD1 PHE 19 HD2 PHE 19 1.527 1.727 1.521 140 HD2 PHE 19 HD1 PHE 19 -2.244 0.298 2.987 141 HE1 PHE 19 HE2 PHE 19 2.713 0.160 3.036 142 HE2 PHE 19 HE1 PHE 19 -1.062 -1.273 4.501 143 HZ PHE 19 HZ PHE 19 1.418 -1.342 4.526 144 H TYR 20 H TYR 20 -3.901 1.250 0.113 145 HA TYR 20 HA TYR 20 -4.271 -1.230 1.403 146 HB2 TYR 20 1HB TYR 20 -6.337 -0.319 1.374 147 HB3 TYR 20 2HB TYR 20 -5.913 0.738 0.039 148 HD1 TYR 20 HD1 TYR 20 -6.213 -0.052 -2.339 149 HD2 TYR 20 HD2 TYR 20 -7.458 -2.362 1.024 150 HE1 TYR 20 HE1 TYR 20 -7.604 -1.458 -3.830 151 HE2 TYR 20 HE2 TYR 20 -8.859 -3.784 -0.448 152 HH TYR 20 HH TYR 20 -9.002 -3.170 -3.962 153 H ASN 21 H ASN 21 -4.527 -0.520 -2.087 154 HA ASN 21 HA ASN 21 -4.830 -3.264 -2.837 155 HB2 ASN 21 1HB ASN 21 -4.775 -2.496 -5.030 156 HB3 ASN 21 2HB ASN 21 -5.258 -1.040 -4.164 157 HD21 ASN 21 2HD2 ASN 21 -4.087 0.752 -4.847 158 HD22 ASN 21 1HD2 ASN 21 -2.472 0.728 -5.366 159 H ASP 22 H ASP 22 -1.951 -1.190 -2.497 160 HA ASP 22 HA ASP 22 -0.092 -3.010 -3.675 161 HB2 ASP 22 1HB ASP 22 0.292 -0.950 -1.482 162 HB3 ASP 22 2HB ASP 22 1.610 -1.789 -2.300 163 H LEU 23 H LEU 23 -1.196 -2.638 -0.303 164 HA LEU 23 HA LEU 23 0.499 -4.696 0.764 165 HB2 LEU 23 1HB LEU 23 -0.694 -2.956 2.127 166 HB3 LEU 23 2HB LEU 23 -2.204 -3.809 1.808 167 HG LEU 23 HG LEU 23 -1.042 -5.896 2.747 168 HD11 LEU 23 1HD1 LEU 23 0.916 -3.718 3.476 169 HD12 LEU 23 2HD1 LEU 23 1.243 -5.295 2.757 170 HD13 LEU 23 3HD1 LEU 23 0.771 -5.180 4.452 171 HD21 LEU 23 3HD2 LEU 23 -2.718 -4.284 3.916 172 HD22 LEU 23 1HD2 LEU 23 -1.306 -3.694 4.791 173 HD23 LEU 23 2HD2 LEU 23 -1.783 -5.386 4.927 174 H GLN 24 H GLN 24 -2.782 -4.726 -0.586 175 HA GLN 24 HA GLN 24 -3.471 -7.396 0.089 176 HB2 GLN 24 1HB GLN 24 -5.020 -5.690 -0.907 177 HB3 GLN 24 2HB GLN 24 -4.214 -5.926 -2.457 178 HG2 GLN 24 1HG GLN 24 -4.773 -8.375 -2.290 179 HG3 GLN 24 2HG GLN 24 -5.740 -8.001 -0.863 180 HE21 GLN 24 2HE2 GLN 24 -7.915 -7.812 -1.408 181 HE22 GLN 24 1HE2 GLN 24 -8.505 -7.138 -2.849 182 H GLN 25 H GLN 25 -1.799 -6.121 -2.799 183 HA GLN 25 HA GLN 25 -1.457 -8.669 -4.067 184 HB2 GLN 25 1HB GLN 25 -1.148 -6.465 -5.208 185 HB3 GLN 25 2HB GLN 25 0.331 -6.227 -4.276 186 HG2 GLN 25 1HG GLN 25 1.175 -8.413 -5.226 187 HG3 GLN 25 2HG GLN 25 -0.229 -8.412 -6.296 188 HE21 GLN 25 2HE2 GLN 25 0.527 -7.770 -8.331 189 HE22 GLN 25 1HE2 GLN 25 1.537 -6.434 -8.607 190 H TYR 26 H TYR 26 0.477 -6.866 -1.720 191 HA TYR 26 HA TYR 26 2.829 -8.426 -1.728 192 HB2 TYR 26 1HB TYR 26 2.673 -6.369 -0.441 193 HB3 TYR 26 2HB TYR 26 1.411 -7.066 0.579 194 HD1 TYR 26 HD2 TYR 26 4.985 -7.167 -0.292 195 HD2 TYR 26 HD1 TYR 26 1.926 -8.696 2.299 196 HE1 TYR 26 HE2 TYR 26 6.731 -8.117 1.195 197 HE2 TYR 26 HE1 TYR 26 3.668 -9.650 3.791 198 HH TYR 26 HH TYR 26 6.737 -10.169 2.937 199 H LEU 27 H LEU 27 -0.181 -8.910 0.098 200 HA LEU 27 HA LEU 27 0.731 -11.261 1.479 201 HB2 LEU 27 1HB LEU 27 -1.979 -10.114 0.856 202 HB3 LEU 27 2HB LEU 27 -1.794 -11.607 1.778 203 HG LEU 27 HG LEU 27 -0.317 -9.088 2.536 204 HD11 LEU 27 1HD1 LEU 27 -3.184 -9.791 2.922 205 HD12 LEU 27 2HD1 LEU 27 -2.419 -8.206 2.817 206 HD13 LEU 27 3HD1 LEU 27 -2.333 -9.130 4.318 207 HD21 LEU 27 3HD2 LEU 27 -1.075 -11.688 3.873 208 HD22 LEU 27 1HD2 LEU 27 -0.586 -10.279 4.815 209 HD23 LEU 27 2HD2 LEU 27 0.534 -11.000 3.657 210 H ASN 28 H ASN 28 -1.094 -10.787 -1.550 211 HA ASN 28 HA ASN 28 -1.629 -13.555 -2.035 212 HB2 ASN 28 1HB ASN 28 -1.295 -11.245 -3.968 213 HB3 ASN 28 2HB ASN 28 -1.928 -12.830 -4.409 214 HD21 ASN 28 2HD2 ASN 28 -2.692 -11.611 -1.213 215 HD22 ASN 28 1HD2 ASN 28 -4.314 -11.233 -1.534 216 H VAL 29 H VAL 29 1.142 -11.503 -2.938 217 HA VAL 29 HA VAL 29 2.418 -13.635 -4.446 218 HB VAL 29 HB VAL 29 4.335 -12.093 -4.527 219 HG11 VAL 29 1HG1 VAL 29 2.991 -11.408 -6.241 220 HG12 VAL 29 2HG1 VAL 29 2.754 -9.989 -5.218 221 HG13 VAL 29 3HG1 VAL 29 1.568 -11.294 -5.204 222 HG21 VAL 29 3HG2 VAL 29 4.101 -9.866 -3.403 223 HG22 VAL 29 1HG2 VAL 29 4.233 -11.203 -2.261 224 HG23 VAL 29 2HG2 VAL 29 2.662 -10.476 -2.590 225 H VAL 30 H VAL 30 2.492 -12.453 -1.144 226 HA VAL 30 HA VAL 30 3.579 -13.293 0.762 227 HB VAL 30 HB VAL 30 3.458 -15.780 -0.965 228 HG11 VAL 30 1HG1 VAL 30 3.565 -16.797 1.482 229 HG12 VAL 30 2HG1 VAL 30 4.421 -15.297 1.833 230 HG13 VAL 30 3HG1 VAL 30 5.049 -16.404 0.613 231 HG21 VAL 30 3HG2 VAL 30 1.683 -14.573 1.163 232 HG22 VAL 30 1HG2 VAL 30 1.590 -16.280 0.733 233 HG23 VAL 30 2HG2 VAL 30 1.249 -15.047 -0.480 Start of MODEL 4 1 H2 PRO 1 1H PRO 1 9.773 -7.979 2.085 2 H3 PRO 1 2H PRO 1 10.472 -8.429 3.567 3 HA PRO 1 HA PRO 1 9.846 -6.456 4.336 4 HB2 PRO 1 1HB PRO 1 11.465 -4.731 2.709 5 HB3 PRO 1 2HB PRO 1 11.800 -5.320 4.350 6 HG2 PRO 1 1HG PRO 1 13.175 -6.056 2.060 7 HG3 PRO 1 2HG PRO 1 13.191 -6.918 3.605 8 HD2 PRO 1 1HD PRO 1 11.734 -7.594 1.092 9 HD3 PRO 1 2HD PRO 1 12.332 -8.666 2.375 10 H PHE 2 H PHE 2 8.032 -5.258 3.988 11 HA PHE 2 HA PHE 2 6.665 -5.142 1.521 12 HB2 PHE 2 1HB PHE 2 5.171 -3.614 2.558 13 HB3 PHE 2 2HB PHE 2 5.772 -4.627 3.871 14 HD1 PHE 2 HD2 PHE 2 8.153 -3.728 4.838 15 HD2 PHE 2 HD1 PHE 2 5.111 -1.328 2.983 16 HE1 PHE 2 HE2 PHE 2 9.037 -1.718 5.989 17 HE2 PHE 2 HE1 PHE 2 5.995 0.681 4.136 18 HZ PHE 2 HZ PHE 2 7.959 0.488 5.637 19 HA PRO 3 HA PRO 3 9.476 -2.166 -0.411 20 HB2 PRO 3 1HB PRO 3 7.880 -2.281 -2.797 21 HB3 PRO 3 2HB PRO 3 9.480 -2.962 -2.500 22 HG2 PRO 3 1HG PRO 3 7.065 -4.356 -2.784 23 HG3 PRO 3 2HG PRO 3 8.643 -5.007 -2.327 24 HD2 PRO 3 1HD PRO 3 6.302 -4.578 -0.665 25 HD3 PRO 3 2HD PRO 3 7.793 -5.450 -0.283 26 HA PRO 4 HA PRO 4 5.714 0.779 -1.645 27 HB2 PRO 4 1HB PRO 4 3.814 0.432 0.486 28 HB3 PRO 4 2HB PRO 4 3.558 0.249 -1.254 29 HG2 PRO 4 1HG PRO 4 3.806 -1.777 0.755 30 HG3 PRO 4 2HG PRO 4 3.402 -1.948 -0.954 31 HD2 PRO 4 1HD PRO 4 5.784 -2.736 0.295 32 HD3 PRO 4 2HD PRO 4 5.497 -2.679 -1.449 33 H THR 5 H THR 5 6.140 2.802 -0.937 34 HA THR 5 HA THR 5 6.805 3.197 1.952 35 HB THR 5 HB THR 5 8.883 3.282 0.726 36 HG1 THR 5 HG1 THR 5 7.830 5.377 1.954 37 HG21 THR 5 3HG2 THR 5 8.906 3.824 -1.452 38 HG22 THR 5 1HG2 THR 5 8.441 5.478 -1.051 39 HG23 THR 5 2HG2 THR 5 7.200 4.262 -1.356 40 HA PRO 6 HA PRO 6 3.232 5.859 0.696 41 HB2 PRO 6 1HB PRO 6 2.682 6.243 3.496 42 HB3 PRO 6 2HB PRO 6 1.731 5.344 2.307 43 HG2 PRO 6 1HG PRO 6 3.418 4.340 4.391 44 HG3 PRO 6 2HG PRO 6 2.369 3.447 3.285 45 HD2 PRO 6 1HD PRO 6 5.194 3.486 3.277 46 HD3 PRO 6 2HD PRO 6 4.141 2.782 2.037 47 HA PRO 7 HA PRO 7 5.314 9.727 1.386 48 HB2 PRO 7 1HB PRO 7 2.908 11.288 1.485 49 HB3 PRO 7 2HB PRO 7 4.039 11.108 0.139 50 HG2 PRO 7 1HG PRO 7 1.430 10.078 0.344 51 HG3 PRO 7 2HG PRO 7 2.606 9.792 -0.940 52 HD2 PRO 7 1HD PRO 7 1.711 7.968 1.137 53 HD3 PRO 7 2HD PRO 7 2.743 7.647 -0.270 54 H GLY 8 H GLY 8 2.182 9.907 3.123 55 HA2 GLY 8 1HA GLY 8 3.246 9.747 5.746 56 HA3 GLY 8 2HA GLY 8 3.213 11.453 5.293 57 H GLU 9 H GLU 9 1.626 10.903 7.355 58 HA GLU 9 HA GLU 9 -1.009 9.951 6.722 59 HB2 GLU 9 1HB GLU 9 -0.090 11.842 8.911 60 HB3 GLU 9 2HB GLU 9 -1.660 11.039 8.854 61 HG2 GLU 9 1HG GLU 9 -0.509 8.835 8.847 62 HG3 GLU 9 2HG GLU 9 1.041 9.667 8.992 63 H GLU 10 H GLU 10 0.504 13.132 6.583 64 HA GLU 10 HA GLU 10 -1.871 14.671 6.191 65 HB2 GLU 10 1HB GLU 10 0.979 15.141 5.279 66 HB3 GLU 10 2HB GLU 10 -0.305 16.344 5.143 67 HG2 GLU 10 1HG GLU 10 0.723 16.891 7.189 68 HG3 GLU 10 2HG GLU 10 -0.661 15.916 7.685 69 H ALA 11 H ALA 11 -0.006 12.668 4.003 70 HA ALA 11 HA ALA 11 -0.810 13.766 1.523 71 HB1 ALA 11 1HB ALA 11 0.855 12.086 1.455 72 HB2 ALA 11 2HB ALA 11 -0.555 11.334 0.711 73 HB3 ALA 11 3HB ALA 11 -0.131 10.954 2.381 74 HA PRO 12 HA PRO 12 -5.160 13.203 1.207 75 HB2 PRO 12 1HB PRO 12 -5.062 12.066 -1.453 76 HB3 PRO 12 2HB PRO 12 -5.487 13.720 -0.991 77 HG2 PRO 12 1HG PRO 12 -3.011 12.710 -2.117 78 HG3 PRO 12 2HG PRO 12 -3.554 14.382 -1.925 79 HD2 PRO 12 1HD PRO 12 -1.502 13.192 -0.476 80 HD3 PRO 12 2HD PRO 12 -2.380 14.656 0.012 81 H VAL 13 H VAL 13 -6.743 11.530 1.304 82 HA VAL 13 HA VAL 13 -5.882 8.991 2.229 83 HB VAL 13 HB VAL 13 -8.161 10.100 2.570 84 HG11 VAL 13 1HG1 VAL 13 -8.367 10.309 -0.037 85 HG12 VAL 13 2HG1 VAL 13 -9.806 9.938 0.913 86 HG13 VAL 13 3HG1 VAL 13 -8.955 8.649 0.059 87 HG21 VAL 13 3HG2 VAL 13 -9.312 7.721 2.240 88 HG22 VAL 13 1HG2 VAL 13 -8.082 7.966 3.480 89 HG23 VAL 13 2HG2 VAL 13 -7.648 7.217 1.942 90 H GLU 14 H GLU 14 -6.298 10.156 -1.017 91 HA GLU 14 HA GLU 14 -6.777 7.658 -2.324 92 HB2 GLU 14 1HB GLU 14 -5.335 10.141 -3.309 93 HB3 GLU 14 2HB GLU 14 -5.858 8.804 -4.336 94 HG2 GLU 14 1HG GLU 14 -8.199 9.186 -3.619 95 HG3 GLU 14 2HG GLU 14 -7.665 10.549 -2.635 96 H ASP 15 H ASP 15 -3.843 9.316 -1.257 97 HA ASP 15 HA ASP 15 -1.995 7.533 -2.502 98 HB2 ASP 15 1HB ASP 15 -1.733 9.210 0.011 99 HB3 ASP 15 2HB ASP 15 -0.388 8.371 -0.766 100 H LEU 16 H LEU 16 -3.629 7.497 0.635 101 HA LEU 16 HA LEU 16 -2.261 5.240 1.720 102 HB2 LEU 16 1HB LEU 16 -3.736 6.805 3.018 103 HB3 LEU 16 2HB LEU 16 -5.132 6.064 2.237 104 HG LEU 16 HG LEU 16 -4.084 3.818 3.096 105 HD11 LEU 16 1HD1 LEU 16 -3.032 5.660 5.238 106 HD12 LEU 16 2HD1 LEU 16 -2.012 5.179 3.884 107 HD13 LEU 16 3HD1 LEU 16 -2.664 3.957 4.973 108 HD21 LEU 16 3HD2 LEU 16 -5.443 5.865 4.872 109 HD22 LEU 16 1HD2 LEU 16 -5.277 4.161 5.293 110 HD23 LEU 16 2HD2 LEU 16 -6.226 4.633 3.883 111 H ILE 17 H ILE 17 -5.178 5.504 -0.300 112 HA ILE 17 HA ILE 17 -5.962 2.780 -0.203 113 HB ILE 17 HB ILE 17 -6.164 4.723 -2.524 114 HG12 ILE 17 1HG1 ILE 17 -8.174 3.986 -0.370 115 HG13 ILE 17 2HG1 ILE 17 -7.229 5.477 -0.393 116 HG21 ILE 17 1HG2 ILE 17 -6.896 2.905 -3.651 117 HG22 ILE 17 2HG2 ILE 17 -8.309 2.952 -2.596 118 HG23 ILE 17 3HG2 ILE 17 -6.936 1.923 -2.186 119 HD11 ILE 17 3HD1 ILE 17 -8.661 6.428 -1.848 120 HD12 ILE 17 1HD1 ILE 17 -9.702 5.015 -1.671 121 HD13 ILE 17 2HD1 ILE 17 -8.500 5.069 -2.960 122 H ARG 18 H ARG 18 -3.763 4.416 -2.512 123 HA ARG 18 HA ARG 18 -3.119 2.150 -4.061 124 HB2 ARG 18 1HB ARG 18 -2.427 4.517 -4.552 125 HB3 ARG 18 2HB ARG 18 -1.217 4.380 -3.276 126 HG2 ARG 18 1HG ARG 18 0.194 3.291 -4.648 127 HG3 ARG 18 2HG ARG 18 -1.048 2.107 -5.057 128 HD2 ARG 18 1HD ARG 18 -0.926 4.871 -6.289 129 HD3 ARG 18 2HD ARG 18 -0.180 3.451 -7.023 130 HE ARG 18 HE ARG 18 -2.486 2.458 -7.126 131 HH11 ARG 18 1HH2 ARG 18 -1.831 5.752 -7.568 132 HH12 ARG 18 2HH2 ARG 18 -3.489 6.220 -7.757 133 HH21 ARG 18 1HH1 ARG 18 -4.739 3.083 -6.960 134 HH22 ARG 18 2HH1 ARG 18 -5.136 4.707 -7.413 135 H PHE 19 H PHE 19 -1.787 3.265 -0.969 136 HA PHE 19 HA PHE 19 0.337 1.381 -0.765 137 HB2 PHE 19 1HB PHE 19 0.075 3.279 0.792 138 HB3 PHE 19 2HB PHE 19 -1.395 2.547 1.437 139 HD1 PHE 19 HD2 PHE 19 2.280 2.109 1.089 140 HD2 PHE 19 HD1 PHE 19 -1.314 0.755 3.015 141 HE1 PHE 19 HE2 PHE 19 3.635 0.750 2.666 142 HE2 PHE 19 HE1 PHE 19 0.042 -0.599 4.591 143 HZ PHE 19 HZ PHE 19 2.514 -0.599 4.417 144 H TYR 20 H TYR 20 -3.069 1.175 0.262 145 HA TYR 20 HA TYR 20 -2.905 -1.444 1.383 146 HB2 TYR 20 1HB TYR 20 -4.827 0.090 1.735 147 HB3 TYR 20 2HB TYR 20 -5.289 -0.130 0.047 148 HD1 TYR 20 HD1 TYR 20 -4.991 -1.782 3.340 149 HD2 TYR 20 HD2 TYR 20 -6.263 -2.203 -0.741 150 HE1 TYR 20 HE1 TYR 20 -6.204 -3.864 3.933 151 HE2 TYR 20 HE2 TYR 20 -7.478 -4.283 -0.150 152 HH TYR 20 HH TYR 20 -8.226 -5.154 2.954 153 H ASN 21 H ASN 21 -3.641 -0.355 -1.941 154 HA ASN 21 HA ASN 21 -4.282 -2.949 -2.933 155 HB2 ASN 21 1HB ASN 21 -4.186 -1.993 -5.093 156 HB3 ASN 21 2HB ASN 21 -4.717 -0.688 -4.046 157 HD21 ASN 21 2HD2 ASN 21 -3.813 0.661 -5.930 158 HD22 ASN 21 1HD2 ASN 21 -2.157 1.036 -5.899 159 H ASP 22 H ASP 22 -1.179 -1.300 -2.506 160 HA ASP 22 HA ASP 22 0.356 -3.196 -4.040 161 HB2 ASP 22 1HB ASP 22 1.182 -1.432 -1.712 162 HB3 ASP 22 2HB ASP 22 2.291 -2.282 -2.790 163 H LEU 23 H LEU 23 -0.526 -2.941 -0.616 164 HA LEU 23 HA LEU 23 0.904 -5.243 0.294 165 HB2 LEU 23 1HB LEU 23 -0.118 -3.494 1.771 166 HB3 LEU 23 2HB LEU 23 -1.709 -4.126 1.353 167 HG LEU 23 HG LEU 23 -0.711 -6.420 2.133 168 HD11 LEU 23 1HD1 LEU 23 1.157 -6.380 3.503 169 HD12 LEU 23 2HD1 LEU 23 0.909 -4.697 3.967 170 HD13 LEU 23 3HD1 LEU 23 1.579 -5.085 2.383 171 HD21 LEU 23 3HD2 LEU 23 -1.937 -4.170 3.561 172 HD22 LEU 23 1HD2 LEU 23 -1.074 -5.273 4.632 173 HD23 LEU 23 2HD2 LEU 23 -2.363 -5.881 3.592 174 H GLN 24 H GLN 24 -2.324 -4.802 -1.090 175 HA GLN 24 HA GLN 24 -3.325 -7.424 -0.667 176 HB2 GLN 24 1HB GLN 24 -4.597 -5.406 -1.557 177 HB3 GLN 24 2HB GLN 24 -3.839 -5.717 -3.120 178 HG2 GLN 24 1HG GLN 24 -4.864 -7.895 -3.267 179 HG3 GLN 24 2HG GLN 24 -5.445 -7.792 -1.604 180 HE21 GLN 24 2HE2 GLN 24 -6.247 -7.069 -4.881 181 HE22 GLN 24 1HE2 GLN 24 -7.640 -6.152 -4.569 182 H GLN 25 H GLN 25 -1.278 -6.087 -3.247 183 HA GLN 25 HA GLN 25 -1.196 -8.438 -4.877 184 HB2 GLN 25 1HB GLN 25 -0.369 -6.158 -5.566 185 HB3 GLN 25 2HB GLN 25 1.022 -6.401 -4.508 186 HG2 GLN 25 1HG GLN 25 1.526 -8.517 -5.775 187 HG3 GLN 25 2HG GLN 25 0.248 -8.079 -6.907 188 HE21 GLN 25 2HE2 GLN 25 1.211 -7.242 -8.756 189 HE22 GLN 25 1HE2 GLN 25 2.499 -6.138 -8.769 190 H TYR 26 H TYR 26 0.716 -7.375 -2.092 191 HA TYR 26 HA TYR 26 2.751 -9.331 -2.136 192 HB2 TYR 26 1HB TYR 26 2.751 -7.474 -0.539 193 HB3 TYR 26 2HB TYR 26 1.310 -8.121 0.245 194 HD1 TYR 26 HD1 TYR 26 1.403 -10.245 1.511 195 HD2 TYR 26 HD2 TYR 26 4.920 -8.453 -0.177 196 HE1 TYR 26 HE1 TYR 26 2.827 -11.695 2.938 197 HE2 TYR 26 HE2 TYR 26 6.345 -9.901 1.246 198 HH TYR 26 HH TYR 26 4.942 -11.995 3.718 199 H LEU 27 H LEU 27 -0.417 -9.473 -0.499 200 HA LEU 27 HA LEU 27 -0.127 -12.207 0.350 201 HB2 LEU 27 1HB LEU 27 -2.513 -10.401 -0.038 202 HB3 LEU 27 2HB LEU 27 -2.659 -12.041 0.598 203 HG LEU 27 HG LEU 27 -0.834 -9.935 1.785 204 HD11 LEU 27 1HD1 LEU 27 -3.173 -9.207 1.985 205 HD12 LEU 27 2HD1 LEU 27 -2.558 -9.721 3.556 206 HD13 LEU 27 3HD1 LEU 27 -3.618 -10.786 2.635 207 HD21 LEU 27 3HD2 LEU 27 -0.043 -11.734 2.903 208 HD22 LEU 27 1HD2 LEU 27 -1.281 -12.778 2.207 209 HD23 LEU 27 2HD2 LEU 27 -1.622 -11.863 3.677 210 H ASN 28 H ASN 28 -1.468 -10.661 -2.530 211 HA ASN 28 HA ASN 28 -2.741 -12.934 -3.668 212 HB2 ASN 28 1HB ASN 28 -2.953 -10.551 -4.457 213 HB3 ASN 28 2HB ASN 28 -1.354 -10.710 -5.183 214 HD21 ASN 28 2HD2 ASN 28 -4.560 -12.352 -5.184 215 HD22 ASN 28 1HD2 ASN 28 -4.475 -12.840 -6.808 216 H VAL 29 H VAL 29 0.622 -11.758 -4.039 217 HA VAL 29 HA VAL 29 1.331 -13.935 -5.826 218 HB VAL 29 HB VAL 29 3.640 -13.084 -5.522 219 HG11 VAL 29 1HG1 VAL 29 3.145 -10.731 -6.335 220 HG12 VAL 29 2HG1 VAL 29 1.444 -11.065 -6.016 221 HG13 VAL 29 3HG1 VAL 29 2.318 -12.014 -7.217 222 HG21 VAL 29 3HG2 VAL 29 4.229 -11.534 -3.914 223 HG22 VAL 29 1HG2 VAL 29 2.936 -12.352 -3.042 224 HG23 VAL 29 2HG2 VAL 29 2.618 -10.826 -3.861 225 H VAL 30 H VAL 30 1.452 -13.379 -2.366 226 HA VAL 30 HA VAL 30 2.051 -14.810 -0.608 227 HB VAL 30 HB VAL 30 1.340 -16.777 -2.792 228 HG11 VAL 30 1HG1 VAL 30 2.903 -17.882 -1.272 229 HG12 VAL 30 2HG1 VAL 30 1.272 -18.478 -0.965 230 HG13 VAL 30 3HG1 VAL 30 1.999 -17.296 0.124 231 HG21 VAL 30 3HG2 VAL 30 -0.048 -15.521 -0.435 232 HG22 VAL 30 1HG2 VAL 30 -0.577 -17.094 -1.031 233 HG23 VAL 30 2HG2 VAL 30 -0.616 -15.689 -2.095 Start of MODEL 5 1 H2 PRO 1 1H PRO 1 8.922 -6.404 4.482 2 H3 PRO 1 2H PRO 1 9.581 -7.841 5.109 3 HA PRO 1 HA PRO 1 7.518 -8.632 5.145 4 HB2 PRO 1 1HB PRO 1 6.351 -6.906 7.118 5 HB3 PRO 1 2HB PRO 1 7.034 -8.528 7.351 6 HG2 PRO 1 1HG PRO 1 8.124 -6.169 8.307 7 HG3 PRO 1 2HG PRO 1 8.974 -7.711 8.139 8 HD2 PRO 1 1HD PRO 1 9.114 -5.285 6.407 9 HD3 PRO 1 2HD PRO 1 10.353 -6.517 6.723 10 H PHE 2 H PHE 2 7.628 -5.122 4.893 11 HA PHE 2 HA PHE 2 5.148 -5.264 3.242 12 HB2 PHE 2 1HB PHE 2 4.290 -3.259 4.168 13 HB3 PHE 2 2HB PHE 2 4.799 -4.228 5.553 14 HD1 PHE 2 HD2 PHE 2 7.089 -3.796 6.564 15 HD2 PHE 2 HD1 PHE 2 5.247 -1.135 3.743 16 HE1 PHE 2 HE2 PHE 2 8.633 -1.987 7.268 17 HE2 PHE 2 HE1 PHE 2 6.792 0.676 4.444 18 HZ PHE 2 HZ PHE 2 8.483 0.250 6.208 19 HA PRO 3 HA PRO 3 8.488 -3.572 0.645 20 HB2 PRO 3 1HB PRO 3 6.746 -3.922 -1.611 21 HB3 PRO 3 2HB PRO 3 8.205 -4.818 -1.188 22 HG2 PRO 3 1HG PRO 3 5.536 -5.707 -1.057 23 HG3 PRO 3 2HG PRO 3 6.995 -6.562 -0.545 24 HD2 PRO 3 1HD PRO 3 4.944 -5.380 1.094 25 HD3 PRO 3 2HD PRO 3 6.333 -6.335 1.614 26 HA PRO 4 HA PRO 4 5.429 -0.274 -1.198 27 HB2 PRO 4 1HB PRO 4 3.144 -0.153 0.535 28 HB3 PRO 4 2HB PRO 4 3.192 -0.520 -1.193 29 HG2 PRO 4 1HG PRO 4 2.676 -2.294 0.943 30 HG3 PRO 4 2HG PRO 4 2.813 -2.674 -0.777 31 HD2 PRO 4 1HD PRO 4 4.676 -3.272 1.356 32 HD3 PRO 4 2HD PRO 4 4.746 -3.772 -0.347 33 H THR 5 H THR 5 5.631 1.873 -0.555 34 HA THR 5 HA THR 5 6.481 2.289 2.265 35 HB THR 5 HB THR 5 8.182 3.220 1.028 36 HG1 THR 5 HG1 THR 5 6.654 4.932 2.026 37 HG21 THR 5 3HG2 THR 5 6.115 3.865 -1.091 38 HG22 THR 5 1HG2 THR 5 7.258 2.523 -1.125 39 HG23 THR 5 2HG2 THR 5 7.845 4.182 -1.236 40 HA PRO 6 HA PRO 6 2.450 4.073 2.950 41 HB2 PRO 6 1HB PRO 6 3.409 5.640 5.167 42 HB3 PRO 6 2HB PRO 6 2.443 4.160 5.210 43 HG2 PRO 6 1HG PRO 6 5.224 4.511 5.796 44 HG3 PRO 6 2HG PRO 6 4.225 3.063 5.966 45 HD2 PRO 6 1HD PRO 6 6.270 3.496 4.058 46 HD3 PRO 6 2HD PRO 6 5.113 2.151 4.092 47 HA PRO 7 HA PRO 7 2.791 8.114 1.078 48 HB2 PRO 7 1HB PRO 7 0.338 9.093 2.191 49 HB3 PRO 7 2HB PRO 7 0.626 8.473 0.560 50 HG2 PRO 7 1HG PRO 7 -0.856 7.261 2.608 51 HG3 PRO 7 2HG PRO 7 -0.421 6.570 1.043 52 HD2 PRO 7 1HD PRO 7 0.654 5.946 3.687 53 HD3 PRO 7 2HD PRO 7 0.852 5.079 2.151 54 H GLY 8 H GLY 8 2.524 10.546 1.740 55 HA2 GLY 8 1HA GLY 8 3.936 10.912 4.281 56 HA3 GLY 8 2HA GLY 8 3.513 12.190 3.137 57 H GLU 9 H GLU 9 3.050 12.811 5.736 58 HA GLU 9 HA GLU 9 0.493 11.978 6.742 59 HB2 GLU 9 1HB GLU 9 2.103 14.484 7.296 60 HB3 GLU 9 2HB GLU 9 0.688 13.981 8.220 61 HG2 GLU 9 1HG GLU 9 2.436 13.090 9.493 62 HG3 GLU 9 2HG GLU 9 1.989 11.720 8.477 63 H GLU 10 H GLU 10 1.495 14.844 4.879 64 HA GLU 10 HA GLU 10 -1.281 15.776 4.693 65 HB2 GLU 10 1HB GLU 10 -0.400 17.677 3.580 66 HB3 GLU 10 2HB GLU 10 0.814 17.265 4.788 67 HG2 GLU 10 1HG GLU 10 2.039 15.963 3.038 68 HG3 GLU 10 2HG GLU 10 0.876 16.545 1.847 69 H ALA 11 H ALA 11 0.449 13.387 3.171 70 HA ALA 11 HA ALA 11 -0.180 13.746 0.420 71 HB1 ALA 11 1HB ALA 11 0.954 11.708 2.057 72 HB2 ALA 11 2HB ALA 11 0.997 11.833 0.299 73 HB3 ALA 11 3HB ALA 11 -0.317 10.964 1.090 74 HA PRO 12 HA PRO 12 -4.570 13.376 0.218 75 HB2 PRO 12 1HB PRO 12 -4.530 11.663 -2.113 76 HB3 PRO 12 2HB PRO 12 -4.875 13.398 -2.043 77 HG2 PRO 12 1HG PRO 12 -2.465 12.051 -2.913 78 HG3 PRO 12 2HG PRO 12 -2.909 13.755 -3.064 79 HD2 PRO 12 1HD PRO 12 -0.927 12.736 -1.380 80 HD3 PRO 12 2HD PRO 12 -1.665 14.346 -1.253 81 H VAL 13 H VAL 13 -6.222 11.863 0.710 82 HA VAL 13 HA VAL 13 -5.420 9.473 2.069 83 HB VAL 13 HB VAL 13 -7.738 9.131 2.454 84 HG11 VAL 13 1HG1 VAL 13 -8.223 11.109 3.492 85 HG12 VAL 13 2HG1 VAL 13 -7.953 12.057 2.031 86 HG13 VAL 13 3HG1 VAL 13 -6.581 11.519 3.000 87 HG21 VAL 13 3HG2 VAL 13 -8.012 10.533 -0.180 88 HG22 VAL 13 1HG2 VAL 13 -9.353 10.612 0.964 89 HG23 VAL 13 2HG2 VAL 13 -8.783 9.049 0.379 90 H GLU 14 H GLU 14 -6.224 10.167 -1.242 91 HA GLU 14 HA GLU 14 -7.016 7.575 -2.106 92 HB2 GLU 14 1HB GLU 14 -7.206 9.676 -3.464 93 HB3 GLU 14 2HB GLU 14 -5.453 9.659 -3.662 94 HG2 GLU 14 1HG GLU 14 -6.374 8.613 -5.613 95 HG3 GLU 14 2HG GLU 14 -5.694 7.324 -4.619 96 H ASP 15 H ASP 15 -3.870 9.093 -1.607 97 HA ASP 15 HA ASP 15 -2.288 7.078 -2.821 98 HB2 ASP 15 1HB ASP 15 -1.667 8.903 -0.484 99 HB3 ASP 15 2HB ASP 15 -0.467 7.916 -1.320 100 H LEU 16 H LEU 16 -3.615 7.385 0.453 101 HA LEU 16 HA LEU 16 -2.316 5.106 1.582 102 HB2 LEU 16 1HB LEU 16 -3.615 6.838 2.874 103 HB3 LEU 16 2HB LEU 16 -5.099 6.122 2.242 104 HG LEU 16 HG LEU 16 -3.187 4.209 3.451 105 HD11 LEU 16 1HD1 LEU 16 -4.323 4.917 5.740 106 HD12 LEU 16 2HD1 LEU 16 -4.403 6.496 4.960 107 HD13 LEU 16 3HD1 LEU 16 -2.843 5.706 5.194 108 HD21 LEU 16 3HD2 LEU 16 -6.088 4.571 4.149 109 HD22 LEU 16 1HD2 LEU 16 -5.153 3.081 4.025 110 HD23 LEU 16 2HD2 LEU 16 -5.653 3.933 2.563 111 H ILE 17 H ILE 17 -5.329 5.460 -0.267 112 HA ILE 17 HA ILE 17 -6.172 2.732 -0.016 113 HB ILE 17 HB ILE 17 -6.641 4.696 -2.285 114 HG12 ILE 17 1HG1 ILE 17 -8.365 3.976 0.110 115 HG13 ILE 17 2HG1 ILE 17 -7.413 5.454 -0.033 116 HG21 ILE 17 1HG2 ILE 17 -8.109 2.150 -1.526 117 HG22 ILE 17 2HG2 ILE 17 -7.058 2.345 -2.928 118 HG23 ILE 17 3HG2 ILE 17 -8.565 3.255 -2.824 119 HD11 ILE 17 3HD1 ILE 17 -9.690 5.955 -0.695 120 HD12 ILE 17 1HD1 ILE 17 -9.707 4.596 -1.818 121 HD13 ILE 17 2HD1 ILE 17 -8.676 5.991 -2.136 122 H ARG 18 H ARG 18 -4.118 4.408 -2.388 123 HA ARG 18 HA ARG 18 -3.694 2.211 -4.118 124 HB2 ARG 18 1HB ARG 18 -2.971 4.520 -4.650 125 HB3 ARG 18 2HB ARG 18 -1.753 4.427 -3.378 126 HG2 ARG 18 1HG ARG 18 -0.344 3.194 -4.657 127 HG3 ARG 18 2HG ARG 18 -1.649 2.192 -5.285 128 HD2 ARG 18 1HD ARG 18 -1.447 5.044 -6.187 129 HD3 ARG 18 2HD ARG 18 -0.371 3.839 -6.896 130 HE ARG 18 HE ARG 18 -2.892 2.683 -7.073 131 HH11 ARG 18 1HH1 ARG 18 -0.916 4.846 -8.722 132 HH12 ARG 18 2HH1 ARG 18 -2.147 5.416 -9.799 133 HH21 ARG 18 1HH2 ARG 18 -4.722 3.769 -8.158 134 HH22 ARG 18 2HH2 ARG 18 -4.303 4.808 -9.480 135 H PHE 19 H PHE 19 -2.132 3.130 -1.087 136 HA PHE 19 HA PHE 19 -0.053 1.184 -1.083 137 HB2 PHE 19 1HB PHE 19 -0.060 2.930 0.592 138 HB3 PHE 19 2HB PHE 19 -1.635 2.416 1.193 139 HD1 PHE 19 HD1 PHE 19 -1.887 0.323 2.454 140 HD2 PHE 19 HD2 PHE 19 1.967 1.702 1.154 141 HE1 PHE 19 HE1 PHE 19 -0.796 -1.263 4.014 142 HE2 PHE 19 HE2 PHE 19 3.060 0.114 2.715 143 HZ PHE 19 HZ PHE 19 1.678 -1.369 4.145 144 H TYR 20 H TYR 20 -3.443 1.018 -0.034 145 HA TYR 20 HA TYR 20 -3.379 -1.595 1.068 146 HB2 TYR 20 1HB TYR 20 -5.307 -0.063 1.297 147 HB3 TYR 20 2HB TYR 20 -5.646 -0.244 -0.425 148 HD1 TYR 20 HD1 TYR 20 -5.378 -2.130 2.783 149 HD2 TYR 20 HD2 TYR 20 -6.851 -2.101 -1.251 150 HE1 TYR 20 HE1 TYR 20 -6.687 -4.188 3.247 151 HE2 TYR 20 HE2 TYR 20 -8.157 -4.158 -0.790 152 HH TYR 20 HH TYR 20 -9.078 -5.370 1.058 153 H ASN 21 H ASN 21 -3.982 -0.545 -2.306 154 HA ASN 21 HA ASN 21 -4.448 -3.182 -3.308 155 HB2 ASN 21 1HB ASN 21 -4.322 -2.230 -5.457 156 HB3 ASN 21 2HB ASN 21 -4.900 -0.910 -4.450 157 HD21 ASN 21 2HD2 ASN 21 -1.607 -2.252 -5.146 158 HD22 ASN 21 1HD2 ASN 21 -0.930 -0.746 -5.532 159 H ASP 22 H ASP 22 -1.490 -1.264 -2.899 160 HA ASP 22 HA ASP 22 0.234 -3.102 -4.261 161 HB2 ASP 22 1HB ASP 22 0.805 -0.712 -3.572 162 HB3 ASP 22 2HB ASP 22 1.069 -1.329 -1.944 163 H LEU 23 H LEU 23 -1.118 -3.057 -1.011 164 HA LEU 23 HA LEU 23 0.675 -5.037 0.093 165 HB2 LEU 23 1HB LEU 23 -0.781 -3.527 1.468 166 HB3 LEU 23 2HB LEU 23 -2.191 -4.414 0.891 167 HG LEU 23 HG LEU 23 -0.159 -6.238 1.879 168 HD11 LEU 23 1HD1 LEU 23 -1.120 -4.028 3.713 169 HD12 LEU 23 2HD1 LEU 23 0.546 -4.503 3.382 170 HD13 LEU 23 3HD1 LEU 23 -0.508 -5.570 4.310 171 HD21 LEU 23 3HD2 LEU 23 -2.521 -6.816 1.560 172 HD22 LEU 23 1HD2 LEU 23 -3.000 -5.584 2.727 173 HD23 LEU 23 2HD2 LEU 23 -2.089 -6.997 3.260 174 H GLN 24 H GLN 24 -2.432 -5.159 -1.619 175 HA GLN 24 HA GLN 24 -2.941 -7.942 -1.304 176 HB2 GLN 24 1HB GLN 24 -4.520 -6.235 -2.295 177 HB3 GLN 24 2HB GLN 24 -3.548 -6.277 -3.766 178 HG2 GLN 24 1HG GLN 24 -3.937 -8.759 -3.872 179 HG3 GLN 24 2HG GLN 24 -5.046 -8.594 -2.511 180 HE21 GLN 24 2HE2 GLN 24 -7.190 -8.292 -3.113 181 HE22 GLN 24 1HE2 GLN 24 -7.708 -7.622 -4.584 182 H GLN 25 H GLN 25 -1.103 -6.178 -3.810 183 HA GLN 25 HA GLN 25 -0.337 -8.505 -5.305 184 HB2 GLN 25 1HB GLN 25 -0.128 -6.096 -6.078 185 HB3 GLN 25 2HB GLN 25 1.268 -5.948 -5.009 186 HG2 GLN 25 1HG GLN 25 2.330 -7.870 -6.197 187 HG3 GLN 25 2HG GLN 25 0.972 -7.888 -7.321 188 HE21 GLN 25 2HE2 GLN 25 1.146 -6.517 -9.125 189 HE22 GLN 25 1HE2 GLN 25 2.281 -5.263 -9.270 190 H TYR 26 H TYR 26 0.982 -6.900 -2.477 191 HA TYR 26 HA TYR 26 3.496 -8.252 -2.358 192 HB2 TYR 26 1HB TYR 26 3.297 -6.361 -0.978 193 HB3 TYR 26 2HB TYR 26 1.727 -6.867 -0.361 194 HD1 TYR 26 HD1 TYR 26 4.563 -9.167 -0.702 195 HD2 TYR 26 HD2 TYR 26 2.327 -6.705 1.995 196 HE1 TYR 26 HE1 TYR 26 5.675 -10.277 1.217 197 HE2 TYR 26 HE2 TYR 26 3.427 -7.811 3.921 198 HH TYR 26 HH TYR 26 5.847 -10.388 3.421 199 H LEU 27 H LEU 27 0.459 -8.949 -0.582 200 HA LEU 27 HA LEU 27 1.513 -11.480 0.397 201 HB2 LEU 27 1HB LEU 27 -1.278 -10.308 0.467 202 HB3 LEU 27 2HB LEU 27 -0.779 -11.773 1.316 203 HG LEU 27 HG LEU 27 0.455 -9.027 1.698 204 HD11 LEU 27 1HD1 LEU 27 -1.914 -9.419 2.600 205 HD12 LEU 27 2HD1 LEU 27 -0.703 -8.940 3.789 206 HD13 LEU 27 3HD1 LEU 27 -1.198 -10.628 3.666 207 HD21 LEU 27 3HD2 LEU 27 2.188 -10.387 2.338 208 HD22 LEU 27 1HD2 LEU 27 1.136 -11.777 2.601 209 HD23 LEU 27 2HD2 LEU 27 1.240 -10.507 3.821 210 H ASN 28 H ASN 28 -0.707 -10.490 -2.191 211 HA ASN 28 HA ASN 28 -1.707 -13.065 -2.862 212 HB2 ASN 28 1HB ASN 28 -2.525 -10.832 -3.735 213 HB3 ASN 28 2HB ASN 28 -1.146 -10.846 -4.837 214 HD21 ASN 28 2HD2 ASN 28 -1.650 -11.711 -6.839 215 HD22 ASN 28 1HD2 ASN 28 -2.825 -12.901 -7.131 216 H VAL 29 H VAL 29 1.222 -11.392 -4.031 217 HA VAL 29 HA VAL 29 1.943 -13.488 -5.877 218 HB VAL 29 HB VAL 29 4.132 -12.321 -5.930 219 HG11 VAL 29 1HG1 VAL 29 1.648 -10.590 -5.993 220 HG12 VAL 29 2HG1 VAL 29 2.414 -11.411 -7.354 221 HG13 VAL 29 3HG1 VAL 29 3.220 -10.047 -6.578 222 HG21 VAL 29 3HG2 VAL 29 2.962 -11.082 -3.478 223 HG22 VAL 29 1HG2 VAL 29 4.001 -10.084 -4.492 224 HG23 VAL 29 2HG2 VAL 29 4.624 -11.578 -3.792 225 H VAL 30 H VAL 30 2.460 -12.823 -2.502 226 HA VAL 30 HA VAL 30 3.389 -14.117 -0.791 227 HB VAL 30 HB VAL 30 3.015 -16.297 -2.858 228 HG11 VAL 30 1HG1 VAL 30 4.504 -17.027 -1.073 229 HG12 VAL 30 2HG1 VAL 30 2.924 -17.771 -0.833 230 HG13 VAL 30 3HG1 VAL 30 3.405 -16.386 0.147 231 HG21 VAL 30 3HG2 VAL 30 0.960 -14.989 -2.280 232 HG22 VAL 30 1HG2 VAL 30 1.202 -15.431 -0.589 233 HG23 VAL 30 2HG2 VAL 30 0.867 -16.681 -1.789 Start of MODEL 6 1 H2 PRO 1 1H PRO 1 10.354 -8.834 1.938 2 H3 PRO 1 2H PRO 1 11.586 -8.666 3.100 3 HA PRO 1 HA PRO 1 11.303 -6.486 2.920 4 HB2 PRO 1 1HB PRO 1 12.153 -6.087 0.204 5 HB3 PRO 1 2HB PRO 1 13.100 -5.880 1.692 6 HG2 PRO 1 1HG PRO 1 13.494 -7.859 -0.199 7 HG3 PRO 1 2HG PRO 1 14.088 -7.886 1.466 8 HD2 PRO 1 1HD PRO 1 11.764 -9.335 0.276 9 HD3 PRO 1 2HD PRO 1 12.815 -9.803 1.630 10 H PHE 2 H PHE 2 9.809 -4.911 2.330 11 HA PHE 2 HA PHE 2 7.829 -5.727 0.245 12 HB2 PHE 2 1HB PHE 2 6.087 -4.753 1.512 13 HB3 PHE 2 2HB PHE 2 7.082 -5.579 2.711 14 HD1 PHE 2 HD1 PHE 2 9.115 -4.092 3.624 15 HD2 PHE 2 HD2 PHE 2 5.472 -2.552 1.953 16 HE1 PHE 2 HE1 PHE 2 9.490 -1.944 4.802 17 HE2 PHE 2 HE2 PHE 2 5.845 -0.400 3.132 18 HZ PHE 2 HZ PHE 2 7.853 -0.096 4.554 19 HA PRO 3 HA PRO 3 9.738 -2.105 -1.670 20 HB2 PRO 3 1HB PRO 3 7.962 -2.427 -3.904 21 HB3 PRO 3 2HB PRO 3 9.692 -2.758 -3.809 22 HG2 PRO 3 1HG PRO 3 7.578 -4.619 -3.938 23 HG3 PRO 3 2HG PRO 3 9.307 -4.940 -3.777 24 HD2 PRO 3 1HD PRO 3 7.246 -5.235 -1.794 25 HD3 PRO 3 2HD PRO 3 8.960 -5.639 -1.646 26 HA PRO 4 HA PRO 4 5.442 0.096 -2.258 27 HB2 PRO 4 1HB PRO 4 3.567 -1.253 -0.551 28 HB3 PRO 4 2HB PRO 4 3.465 -1.012 -2.299 29 HG2 PRO 4 1HG PRO 4 3.965 -3.416 -0.915 30 HG3 PRO 4 2HG PRO 4 4.008 -3.144 -2.660 31 HD2 PRO 4 1HD PRO 4 6.226 -3.574 -0.841 32 HD3 PRO 4 2HD PRO 4 6.247 -3.479 -2.613 33 H THR 5 H THR 5 5.505 1.909 -0.995 34 HA THR 5 HA THR 5 5.796 1.542 1.959 35 HB THR 5 HB THR 5 6.910 3.703 0.147 36 HG1 THR 5 HG1 THR 5 8.448 2.274 0.165 37 HG21 THR 5 3HG2 THR 5 6.145 4.761 2.189 38 HG22 THR 5 1HG2 THR 5 7.899 4.607 2.269 39 HG23 THR 5 2HG2 THR 5 6.876 3.490 3.169 40 HA PRO 6 HA PRO 6 1.685 3.376 1.563 41 HB2 PRO 6 1HB PRO 6 1.545 3.711 4.417 42 HB3 PRO 6 2HB PRO 6 0.695 2.533 3.409 43 HG2 PRO 6 1HG PRO 6 2.933 2.132 5.147 44 HG3 PRO 6 2HG PRO 6 1.999 0.936 4.244 45 HD2 PRO 6 1HD PRO 6 4.655 1.752 3.729 46 HD3 PRO 6 2HD PRO 6 3.638 0.730 2.692 47 HA PRO 7 HA PRO 7 2.615 7.722 1.906 48 HB2 PRO 7 1HB PRO 7 -0.118 8.468 2.355 49 HB3 PRO 7 2HB PRO 7 0.805 8.561 0.849 50 HG2 PRO 7 1HG PRO 7 -1.287 6.779 1.513 51 HG3 PRO 7 2HG PRO 7 -0.332 6.833 0.030 52 HD2 PRO 7 1HD PRO 7 -0.234 4.883 2.151 53 HD3 PRO 7 2HD PRO 7 0.648 4.902 0.611 54 H GLY 8 H GLY 8 2.339 9.590 3.451 55 HA2 GLY 8 1HA GLY 8 2.340 8.634 6.219 56 HA3 GLY 8 2HA GLY 8 2.625 10.297 5.699 57 H GLU 9 H GLU 9 1.003 10.102 7.839 58 HA GLU 9 HA GLU 9 -1.777 9.674 7.262 59 HB2 GLU 9 1HB GLU 9 -0.451 11.364 9.399 60 HB3 GLU 9 2HB GLU 9 -2.168 10.965 9.362 61 HG2 GLU 9 1HG GLU 9 -1.573 8.546 9.395 62 HG3 GLU 9 2HG GLU 9 0.127 8.993 9.545 63 H GLU 10 H GLU 10 0.279 12.548 7.111 64 HA GLU 10 HA GLU 10 -1.849 14.419 6.632 65 HB2 GLU 10 1HB GLU 10 1.093 14.537 5.908 66 HB3 GLU 10 2HB GLU 10 -0.020 15.903 5.800 67 HG2 GLU 10 1HG GLU 10 -0.510 15.664 8.227 68 HG3 GLU 10 2HG GLU 10 0.676 14.362 8.317 69 H ALA 11 H ALA 11 0.028 12.325 4.507 70 HA ALA 11 HA ALA 11 -0.639 13.584 2.039 71 HB1 ALA 11 1HB ALA 11 0.378 11.779 1.043 72 HB2 ALA 11 2HB ALA 11 -0.399 10.618 2.116 73 HB3 ALA 11 3HB ALA 11 0.986 11.550 2.682 74 HA PRO 12 HA PRO 12 -4.923 12.869 1.398 75 HB2 PRO 12 1HB PRO 12 -4.599 11.830 -1.281 76 HB3 PRO 12 2HB PRO 12 -5.116 13.451 -0.797 77 HG2 PRO 12 1HG PRO 12 -2.530 12.563 -1.774 78 HG3 PRO 12 2HG PRO 12 -3.145 14.208 -1.575 79 HD2 PRO 12 1HD PRO 12 -1.160 13.054 -0.017 80 HD3 PRO 12 2HD PRO 12 -2.131 14.461 0.456 81 H VAL 13 H VAL 13 -6.395 11.168 1.516 82 HA VAL 13 HA VAL 13 -5.409 8.557 2.178 83 HB VAL 13 HB VAL 13 -7.607 9.676 2.909 84 HG11 VAL 13 1HG1 VAL 13 -8.104 9.823 0.244 85 HG12 VAL 13 2HG1 VAL 13 -9.379 9.796 1.463 86 HG13 VAL 13 3HG1 VAL 13 -8.925 8.310 0.626 87 HG21 VAL 13 3HG2 VAL 13 -7.821 7.595 3.753 88 HG22 VAL 13 1HG2 VAL 13 -6.909 6.908 2.409 89 HG23 VAL 13 2HG2 VAL 13 -8.653 7.133 2.269 90 H GLU 14 H GLU 14 -6.245 10.001 -0.873 91 HA GLU 14 HA GLU 14 -6.989 7.651 -2.307 92 HB2 GLU 14 1HB GLU 14 -5.633 10.196 -3.242 93 HB3 GLU 14 2HB GLU 14 -6.255 8.952 -4.326 94 HG2 GLU 14 1HG GLU 14 -8.044 10.471 -4.193 95 HG3 GLU 14 2HG GLU 14 -8.482 9.240 -3.010 96 H ASP 15 H ASP 15 -3.825 9.121 -1.619 97 HA ASP 15 HA ASP 15 -2.349 7.355 -3.278 98 HB2 ASP 15 1HB ASP 15 -0.400 8.035 -1.915 99 HB3 ASP 15 2HB ASP 15 -1.367 9.420 -2.405 100 H LEU 16 H LEU 16 -3.493 7.103 0.043 101 HA LEU 16 HA LEU 16 -2.077 4.713 0.744 102 HB2 LEU 16 1HB LEU 16 -3.222 6.153 2.404 103 HB3 LEU 16 2HB LEU 16 -4.778 5.705 1.707 104 HG LEU 16 HG LEU 16 -3.571 3.252 2.155 105 HD11 LEU 16 1HD1 LEU 16 -2.969 3.483 4.639 106 HD12 LEU 16 2HD1 LEU 16 -2.831 5.214 4.334 107 HD13 LEU 16 3HD1 LEU 16 -1.779 4.081 3.484 108 HD21 LEU 16 3HD2 LEU 16 -5.865 3.543 2.625 109 HD22 LEU 16 1HD2 LEU 16 -5.563 4.919 3.687 110 HD23 LEU 16 2HD2 LEU 16 -5.148 3.287 4.216 111 H ILE 17 H ILE 17 -5.207 5.306 -0.822 112 HA ILE 17 HA ILE 17 -6.187 2.653 -0.837 113 HB ILE 17 HB ILE 17 -6.517 4.807 -2.949 114 HG12 ILE 17 1HG1 ILE 17 -8.374 4.014 -0.689 115 HG13 ILE 17 2HG1 ILE 17 -7.233 5.354 -0.575 116 HG21 ILE 17 1HG2 ILE 17 -8.787 3.159 -2.829 117 HG22 ILE 17 2HG2 ILE 17 -7.418 2.049 -2.799 118 HG23 ILE 17 3HG2 ILE 17 -7.587 3.205 -4.121 119 HD11 ILE 17 3HD1 ILE 17 -8.424 5.924 -2.953 120 HD12 ILE 17 1HD1 ILE 17 -8.981 6.567 -1.409 121 HD13 ILE 17 2HD1 ILE 17 -9.762 5.148 -2.107 122 H ARG 18 H ARG 18 -4.221 4.305 -3.351 123 HA ARG 18 HA ARG 18 -4.000 2.020 -5.037 124 HB2 ARG 18 1HB ARG 18 -2.253 4.453 -4.672 125 HB3 ARG 18 2HB ARG 18 -1.850 3.193 -5.838 126 HG2 ARG 18 1HG ARG 18 -4.612 4.389 -5.801 127 HG3 ARG 18 2HG ARG 18 -3.296 5.218 -6.632 128 HD2 ARG 18 1HD ARG 18 -3.369 3.770 -8.357 129 HD3 ARG 18 2HD ARG 18 -3.305 2.382 -7.271 130 HE ARG 18 HE ARG 18 -5.589 2.131 -7.758 131 HH11 ARG 18 1HH2 ARG 18 -4.648 5.303 -8.562 132 HH12 ARG 18 2HH2 ARG 18 -6.251 5.955 -8.518 133 HH21 ARG 18 1HH1 ARG 18 -7.697 3.028 -7.346 134 HH22 ARG 18 2HH1 ARG 18 -7.978 4.667 -7.833 135 H PHE 19 H PHE 19 -1.939 3.089 -2.332 136 HA PHE 19 HA PHE 19 -0.010 0.981 -2.700 137 HB2 PHE 19 1HB PHE 19 -0.692 2.835 -0.431 138 HB3 PHE 19 2HB PHE 19 0.442 1.505 -0.179 139 HD1 PHE 19 HD1 PHE 19 -0.286 3.878 -2.959 140 HD2 PHE 19 HD2 PHE 19 2.680 2.172 -0.377 141 HE1 PHE 19 HE1 PHE 19 1.477 5.179 -4.134 142 HE2 PHE 19 HE2 PHE 19 4.449 3.463 -1.551 143 HZ PHE 19 HZ PHE 19 3.844 4.969 -3.426 144 H TYR 20 H TYR 20 -3.021 1.245 -0.872 145 HA TYR 20 HA TYR 20 -2.789 -1.150 0.625 146 HB2 TYR 20 1HB TYR 20 -4.636 0.554 0.844 147 HB3 TYR 20 2HB TYR 20 -5.326 -0.082 -0.649 148 HD1 TYR 20 HD1 TYR 20 -4.381 -0.957 2.835 149 HD2 TYR 20 HD2 TYR 20 -6.558 -2.134 -0.673 150 HE1 TYR 20 HE1 TYR 20 -5.478 -2.768 4.125 151 HE2 TYR 20 HE2 TYR 20 -7.657 -3.948 0.617 152 HH TYR 20 HH TYR 20 -8.134 -4.603 2.826 153 H ASN 21 H ASN 21 -3.825 -0.572 -2.736 154 HA ASN 21 HA ASN 21 -4.566 -3.303 -3.240 155 HB2 ASN 21 1HB ASN 21 -4.741 -2.678 -5.504 156 HB3 ASN 21 2HB ASN 21 -5.139 -1.210 -4.625 157 HD21 ASN 21 2HD2 ASN 21 -2.030 -2.765 -5.650 158 HD22 ASN 21 1HD2 ASN 21 -1.392 -1.348 -6.331 159 H ASP 22 H ASP 22 -1.509 -1.490 -3.707 160 HA ASP 22 HA ASP 22 -0.067 -3.656 -4.891 161 HB2 ASP 22 1HB ASP 22 0.888 -1.373 -3.129 162 HB3 ASP 22 2HB ASP 22 1.967 -2.488 -3.965 163 H LEU 23 H LEU 23 -0.806 -2.733 -1.578 164 HA LEU 23 HA LEU 23 0.824 -4.698 -0.293 165 HB2 LEU 23 1HB LEU 23 -1.480 -2.986 0.479 166 HB3 LEU 23 2HB LEU 23 -1.167 -4.402 1.483 167 HG LEU 23 HG LEU 23 0.043 -2.420 2.307 168 HD11 LEU 23 1HD1 LEU 23 2.314 -3.969 1.279 169 HD12 LEU 23 2HD1 LEU 23 1.031 -4.965 1.968 170 HD13 LEU 23 3HD1 LEU 23 1.792 -3.709 2.944 171 HD21 LEU 23 3HD2 LEU 23 2.033 -1.685 0.884 172 HD22 LEU 23 1HD2 LEU 23 0.447 -1.130 0.360 173 HD23 LEU 23 2HD2 LEU 23 1.225 -2.480 -0.465 174 H GLN 24 H GLN 24 -2.474 -4.768 -1.606 175 HA GLN 24 HA GLN 24 -3.303 -7.250 -0.526 176 HB2 GLN 24 1HB GLN 24 -3.828 -6.105 -3.292 177 HB3 GLN 24 2HB GLN 24 -4.665 -7.507 -2.626 178 HG2 GLN 24 1HG GLN 24 -5.483 -6.124 -0.746 179 HG3 GLN 24 2HG GLN 24 -4.660 -4.722 -1.426 180 HE21 GLN 24 2HE2 GLN 24 -7.625 -5.183 -1.049 181 HE22 GLN 24 1HE2 GLN 24 -8.302 -4.988 -2.593 182 H GLN 25 H GLN 25 -1.274 -6.517 -3.360 183 HA GLN 25 HA GLN 25 -0.843 -9.295 -4.069 184 HB2 GLN 25 1HB GLN 25 0.823 -6.815 -4.619 185 HB3 GLN 25 2HB GLN 25 1.118 -8.397 -5.345 186 HG2 GLN 25 1HG GLN 25 -1.140 -8.368 -6.338 187 HG3 GLN 25 2HG GLN 25 -1.442 -6.790 -5.608 188 HE21 GLN 25 2HE2 GLN 25 -1.060 -7.770 -8.559 189 HE22 GLN 25 1HE2 GLN 25 0.060 -6.659 -9.188 190 H TYR 26 H TYR 26 0.794 -6.966 -1.982 191 HA TYR 26 HA TYR 26 3.123 -8.402 -1.312 192 HB2 TYR 26 1HB TYR 26 2.751 -6.094 -0.586 193 HB3 TYR 26 2HB TYR 26 1.402 -6.612 0.418 194 HD1 TYR 26 HD2 TYR 26 5.053 -7.074 -0.076 195 HD2 TYR 26 HD1 TYR 26 1.720 -7.354 2.614 196 HE1 TYR 26 HE2 TYR 26 6.614 -7.552 1.795 197 HE2 TYR 26 HE1 TYR 26 3.277 -7.833 4.491 198 HH TYR 26 HH TYR 26 6.111 -8.929 4.290 199 H LEU 27 H LEU 27 -0.071 -8.463 0.270 200 HA LEU 27 HA LEU 27 0.612 -10.396 2.250 201 HB2 LEU 27 1HB LEU 27 -1.964 -9.500 0.995 202 HB3 LEU 27 2HB LEU 27 -1.952 -10.780 2.210 203 HG LEU 27 HG LEU 27 -0.610 -8.107 2.663 204 HD11 LEU 27 1HD1 LEU 27 -2.578 -7.111 3.143 205 HD12 LEU 27 2HD1 LEU 27 -3.134 -8.506 4.068 206 HD13 LEU 27 3HD1 LEU 27 -3.359 -8.462 2.321 207 HD21 LEU 27 3HD2 LEU 27 -1.740 -9.516 4.946 208 HD22 LEU 27 1HD2 LEU 27 -0.082 -8.978 4.680 209 HD23 LEU 27 2HD2 LEU 27 -0.614 -10.541 4.060 210 H ASN 28 H ASN 28 -1.007 -10.851 -0.934 211 HA ASN 28 HA ASN 28 -1.037 -13.735 -0.689 212 HB2 ASN 28 1HB ASN 28 -1.270 -11.891 -3.087 213 HB3 ASN 28 2HB ASN 28 -1.436 -13.645 -3.191 214 HD21 ASN 28 2HD2 ASN 28 -2.689 -11.110 -0.931 215 HD22 ASN 28 1HD2 ASN 28 -4.294 -11.662 -0.979 216 H VAL 29 H VAL 29 1.161 -11.359 -2.032 217 HA VAL 29 HA VAL 29 2.964 -13.176 -3.321 218 HB VAL 29 HB VAL 29 3.330 -10.392 -2.183 219 HG11 VAL 29 1HG1 VAL 29 5.522 -11.261 -2.232 220 HG12 VAL 29 2HG1 VAL 29 5.355 -10.430 -3.779 221 HG13 VAL 29 3HG1 VAL 29 5.211 -12.186 -3.701 222 HG21 VAL 29 3HG2 VAL 29 3.448 -10.964 -5.089 223 HG22 VAL 29 1HG2 VAL 29 2.688 -9.621 -4.235 224 HG23 VAL 29 2HG2 VAL 29 1.868 -11.180 -4.334 225 H VAL 30 H VAL 30 2.736 -11.861 -0.044 226 HA VAL 30 HA VAL 30 3.841 -12.468 1.931 227 HB VAL 30 HB VAL 30 4.061 -15.040 0.345 228 HG11 VAL 30 1HG1 VAL 30 4.202 -15.776 2.965 229 HG12 VAL 30 2HG1 VAL 30 5.100 -14.259 3.008 230 HG13 VAL 30 3HG1 VAL 30 5.618 -15.561 1.936 231 HG21 VAL 30 3HG2 VAL 30 1.771 -14.385 0.842 232 HG22 VAL 30 1HG2 VAL 30 2.187 -14.076 2.527 233 HG23 VAL 30 2HG2 VAL 30 2.217 -15.724 1.897 Start of MODEL 7 1 H2 PRO 1 1H PRO 1 6.780 -7.615 -3.377 2 H3 PRO 1 2H PRO 1 6.623 -9.077 -4.231 3 HA PRO 1 HA PRO 1 8.811 -9.009 -4.518 4 HB2 PRO 1 1HB PRO 1 9.031 -6.678 -6.182 5 HB3 PRO 1 2HB PRO 1 8.967 -8.378 -6.686 6 HG2 PRO 1 1HG PRO 1 6.986 -6.497 -7.123 7 HG3 PRO 1 2HG PRO 1 6.786 -8.252 -7.206 8 HD2 PRO 1 1HD PRO 1 5.969 -6.367 -5.042 9 HD3 PRO 1 2HD PRO 1 5.241 -7.912 -5.527 10 H PHE 2 H PHE 2 7.686 -5.641 -4.050 11 HA PHE 2 HA PHE 2 9.987 -5.284 -2.186 12 HB2 PHE 2 1HB PHE 2 10.495 -3.147 -3.068 13 HB3 PHE 2 2HB PHE 2 10.188 -4.125 -4.504 14 HD1 PHE 2 HD2 PHE 2 7.913 -4.039 -5.596 15 HD2 PHE 2 HD1 PHE 2 9.104 -1.296 -2.514 16 HE1 PHE 2 HE2 PHE 2 6.072 -2.513 -6.247 17 HE2 PHE 2 HE1 PHE 2 7.263 0.234 -3.166 18 HZ PHE 2 HZ PHE 2 5.746 -0.375 -5.031 19 HA PRO 3 HA PRO 3 6.766 -4.030 0.604 20 HB2 PRO 3 1HB PRO 3 8.459 -2.263 2.103 21 HB3 PRO 3 2HB PRO 3 7.944 -3.898 2.516 22 HG2 PRO 3 1HG PRO 3 10.514 -3.048 1.747 23 HG3 PRO 3 2HG PRO 3 9.959 -4.695 2.064 24 HD2 PRO 3 1HD PRO 3 10.586 -3.462 -0.478 25 HD3 PRO 3 2HD PRO 3 10.205 -5.156 -0.123 26 HA PRO 4 HA PRO 4 5.441 -0.151 -1.222 27 HB2 PRO 4 1HB PRO 4 3.464 0.228 0.824 28 HB3 PRO 4 2HB PRO 4 3.220 -0.321 -0.839 29 HG2 PRO 4 1HG PRO 4 3.088 -1.837 1.572 30 HG3 PRO 4 2HG PRO 4 2.795 -2.370 -0.085 31 HD2 PRO 4 1HD PRO 4 5.022 -3.022 1.582 32 HD3 PRO 4 2HD PRO 4 4.763 -3.487 -0.110 33 H THR 5 H THR 5 5.643 2.102 -0.725 34 HA THR 5 HA THR 5 6.759 2.694 1.989 35 HB THR 5 HB THR 5 7.530 4.207 -0.500 36 HG1 THR 5 HG1 THR 5 8.112 1.656 0.123 37 HG21 THR 5 3HG2 THR 5 7.969 4.873 2.017 38 HG22 THR 5 1HG2 THR 5 9.240 5.076 0.809 39 HG23 THR 5 2HG2 THR 5 9.262 3.680 1.887 40 HA PRO 6 HA PRO 6 2.876 5.142 1.196 41 HB2 PRO 6 1HB PRO 6 2.577 5.348 4.048 42 HB3 PRO 6 2HB PRO 6 1.567 4.451 2.907 43 HG2 PRO 6 1HG PRO 6 3.513 3.459 4.762 44 HG3 PRO 6 2HG PRO 6 2.394 2.562 3.736 45 HD2 PRO 6 1HD PRO 6 5.192 2.731 3.430 46 HD3 PRO 6 2HD PRO 6 4.042 2.046 2.267 47 HA PRO 7 HA PRO 7 4.876 9.041 2.140 48 HB2 PRO 7 1HB PRO 7 2.427 10.541 2.200 49 HB3 PRO 7 2HB PRO 7 3.608 10.432 0.889 50 HG2 PRO 7 1HG PRO 7 1.032 9.399 0.882 51 HG3 PRO 7 2HG PRO 7 2.319 9.020 -0.266 52 HD2 PRO 7 1HD PRO 7 1.262 7.388 1.962 53 HD3 PRO 7 2HD PRO 7 2.141 6.895 0.500 54 H GLY 8 H GLY 8 3.315 11.167 3.536 55 HA2 GLY 8 1HA GLY 8 3.820 10.245 6.283 56 HA3 GLY 8 2HA GLY 8 3.369 11.885 5.805 57 H GLU 9 H GLU 9 2.011 11.011 7.939 58 HA GLU 9 HA GLU 9 -0.337 9.456 7.378 59 HB2 GLU 9 1HB GLU 9 0.547 9.874 9.670 60 HB3 GLU 9 2HB GLU 9 0.051 11.561 9.524 61 HG2 GLU 9 1HG GLU 9 -2.294 10.780 9.114 62 HG3 GLU 9 2HG GLU 9 -1.757 9.130 9.433 63 H GLU 10 H GLU 10 0.327 12.929 7.272 64 HA GLU 10 HA GLU 10 -2.392 13.754 6.850 65 HB2 GLU 10 1HB GLU 10 0.223 15.095 6.110 66 HB3 GLU 10 2HB GLU 10 -1.359 15.874 6.022 67 HG2 GLU 10 1HG GLU 10 -1.688 15.420 8.446 68 HG3 GLU 10 2HG GLU 10 -0.065 14.732 8.515 69 H ALA 11 H ALA 11 0.069 12.515 4.687 70 HA ALA 11 HA ALA 11 -0.550 13.427 2.198 71 HB1 ALA 11 1HB ALA 11 0.619 11.621 1.547 72 HB2 ALA 11 2HB ALA 11 -0.685 10.544 2.046 73 HB3 ALA 11 3HB ALA 11 0.547 11.034 3.208 74 HA PRO 12 HA PRO 12 -4.813 13.125 1.237 75 HB2 PRO 12 1HB PRO 12 -4.423 11.788 -1.301 76 HB3 PRO 12 2HB PRO 12 -4.769 13.500 -1.015 77 HG2 PRO 12 1HG PRO 12 -2.246 12.223 -1.682 78 HG3 PRO 12 2HG PRO 12 -2.666 13.940 -1.683 79 HD2 PRO 12 1HD PRO 12 -0.960 12.719 0.137 80 HD3 PRO 12 2HD PRO 12 -1.779 14.274 0.394 81 H VAL 13 H VAL 13 -6.531 11.581 1.255 82 HA VAL 13 HA VAL 13 -5.912 9.002 2.335 83 HB VAL 13 HB VAL 13 -8.252 8.625 2.337 84 HG11 VAL 13 1HG1 VAL 13 -8.747 11.465 2.415 85 HG12 VAL 13 2HG1 VAL 13 -7.189 11.106 3.161 86 HG13 VAL 13 3HG1 VAL 13 -8.653 10.322 3.754 87 HG21 VAL 13 3HG2 VAL 13 -8.286 10.583 0.036 88 HG22 VAL 13 1HG2 VAL 13 -9.754 10.116 0.896 89 HG23 VAL 13 2HG2 VAL 13 -8.811 8.899 0.036 90 H GLU 14 H GLU 14 -6.108 10.181 -0.907 91 HA GLU 14 HA GLU 14 -6.815 7.756 -2.253 92 HB2 GLU 14 1HB GLU 14 -5.039 10.051 -3.154 93 HB3 GLU 14 2HB GLU 14 -5.671 8.790 -4.213 94 HG2 GLU 14 1HG GLU 14 -7.981 9.456 -3.597 95 HG3 GLU 14 2HG GLU 14 -7.324 10.754 -2.599 96 H ASP 15 H ASP 15 -3.769 9.097 -1.067 97 HA ASP 15 HA ASP 15 -2.086 7.072 -2.181 98 HB2 ASP 15 1HB ASP 15 -1.729 8.857 0.242 99 HB3 ASP 15 2HB ASP 15 -0.462 7.810 -0.400 100 H LEU 16 H LEU 16 -3.848 7.350 0.881 101 HA LEU 16 HA LEU 16 -2.751 5.050 2.155 102 HB2 LEU 16 1HB LEU 16 -4.200 6.770 3.269 103 HB3 LEU 16 2HB LEU 16 -5.586 6.097 2.410 104 HG LEU 16 HG LEU 16 -4.994 3.852 3.433 105 HD11 LEU 16 1HD1 LEU 16 -2.857 5.565 4.532 106 HD12 LEU 16 2HD1 LEU 16 -2.894 3.815 4.310 107 HD13 LEU 16 3HD1 LEU 16 -3.655 4.541 5.726 108 HD21 LEU 16 3HD2 LEU 16 -6.569 5.852 4.372 109 HD22 LEU 16 1HD2 LEU 16 -5.458 5.679 5.730 110 HD23 LEU 16 2HD2 LEU 16 -6.407 4.296 5.185 111 H ILE 17 H ILE 17 -5.540 5.413 -0.027 112 HA ILE 17 HA ILE 17 -6.427 2.709 0.074 113 HB ILE 17 HB ILE 17 -6.553 4.780 -2.129 114 HG12 ILE 17 1HG1 ILE 17 -8.710 3.655 -0.317 115 HG13 ILE 17 2HG1 ILE 17 -7.833 5.150 0.016 116 HG21 ILE 17 1HG2 ILE 17 -6.869 2.932 -3.442 117 HG22 ILE 17 2HG2 ILE 17 -8.499 3.022 -2.771 118 HG23 ILE 17 3HG2 ILE 17 -7.318 1.910 -2.077 119 HD11 ILE 17 3HD1 ILE 17 -8.562 5.942 -2.294 120 HD12 ILE 17 1HD1 ILE 17 -9.849 5.804 -1.095 121 HD13 ILE 17 2HD1 ILE 17 -9.653 4.556 -2.326 122 H ARG 18 H ARG 18 -4.164 4.305 -2.177 123 HA ARG 18 HA ARG 18 -3.522 2.037 -3.732 124 HB2 ARG 18 1HB ARG 18 -2.773 4.292 -4.336 125 HB3 ARG 18 2HB ARG 18 -1.737 4.347 -2.909 126 HG2 ARG 18 1HG ARG 18 -1.218 1.938 -4.431 127 HG3 ARG 18 2HG ARG 18 -1.052 3.362 -5.462 128 HD2 ARG 18 1HD ARG 18 1.041 2.652 -4.152 129 HD3 ARG 18 2HD ARG 18 0.568 4.345 -4.021 130 HE ARG 18 HE ARG 18 -0.749 3.090 -1.910 131 HH11 ARG 18 1HH2 ARG 18 1.319 5.165 -1.420 132 HH12 ARG 18 2HH2 ARG 18 2.548 4.288 -0.569 133 HH21 ARG 18 1HH1 ARG 18 1.345 1.173 -1.512 134 HH22 ARG 18 2HH1 ARG 18 2.561 2.026 -0.619 135 H PHE 19 H PHE 19 -2.325 3.061 -0.560 136 HA PHE 19 HA PHE 19 -0.176 1.188 -0.366 137 HB2 PHE 19 1HB PHE 19 -0.443 3.019 1.256 138 HB3 PHE 19 2HB PHE 19 -1.946 2.296 1.837 139 HD1 PHE 19 HD2 PHE 19 1.708 1.658 1.435 140 HD2 PHE 19 HD1 PHE 19 -1.925 0.560 3.444 141 HE1 PHE 19 HE2 PHE 19 2.997 0.189 2.965 142 HE2 PHE 19 HE1 PHE 19 -0.638 -0.912 4.971 143 HZ PHE 19 HZ PHE 19 1.824 -1.096 4.732 144 H TYR 20 H TYR 20 -3.556 0.956 0.796 145 HA TYR 20 HA TYR 20 -3.373 -1.743 1.678 146 HB2 TYR 20 1HB TYR 20 -5.310 -0.221 2.151 147 HB3 TYR 20 2HB TYR 20 -5.802 -0.385 0.464 148 HD1 TYR 20 HD1 TYR 20 -5.305 -2.211 3.652 149 HD2 TYR 20 HD2 TYR 20 -6.846 -2.392 -0.353 150 HE1 TYR 20 HE1 TYR 20 -6.441 -4.349 4.189 151 HE2 TYR 20 HE2 TYR 20 -7.986 -4.530 0.183 152 HH TYR 20 HH TYR 20 -8.704 -5.834 1.970 153 H ASN 21 H ASN 21 -4.075 -0.322 -1.490 154 HA ASN 21 HA ASN 21 -4.718 -2.744 -2.859 155 HB2 ASN 21 1HB ASN 21 -3.225 -0.375 -4.020 156 HB3 ASN 21 2HB ASN 21 -4.246 -1.519 -4.888 157 HD21 ASN 21 2HD2 ASN 21 -6.236 -1.478 -2.551 158 HD22 ASN 21 1HD2 ASN 21 -7.070 -0.010 -2.737 159 H ASP 22 H ASP 22 -1.626 -1.059 -2.338 160 HA ASP 22 HA ASP 22 -0.036 -3.016 -3.735 161 HB2 ASP 22 1HB ASP 22 0.709 -0.980 -1.617 162 HB3 ASP 22 2HB ASP 22 1.872 -1.915 -2.558 163 H LEU 23 H LEU 23 -0.954 -2.577 -0.325 164 HA LEU 23 HA LEU 23 0.722 -4.583 0.779 165 HB2 LEU 23 1HB LEU 23 -0.689 -2.945 2.081 166 HB3 LEU 23 2HB LEU 23 -2.097 -3.930 1.683 167 HG LEU 23 HG LEU 23 -0.861 -5.907 2.692 168 HD11 LEU 23 1HD1 LEU 23 1.130 -3.766 3.009 169 HD12 LEU 23 2HD1 LEU 23 1.349 -5.517 3.021 170 HD13 LEU 23 3HD1 LEU 23 0.836 -4.683 4.487 171 HD21 LEU 23 3HD2 LEU 23 -1.137 -4.907 5.105 172 HD22 LEU 23 1HD2 LEU 23 -2.557 -5.052 4.069 173 HD23 LEU 23 2HD2 LEU 23 -1.755 -3.492 4.252 174 H GLN 24 H GLN 24 -2.540 -4.814 -0.642 175 HA GLN 24 HA GLN 24 -2.901 -7.616 -0.177 176 HB2 GLN 24 1HB GLN 24 -4.680 -5.992 -0.966 177 HB3 GLN 24 2HB GLN 24 -3.923 -6.043 -2.559 178 HG2 GLN 24 1HG GLN 24 -4.252 -8.483 -2.640 179 HG3 GLN 24 2HG GLN 24 -5.013 -8.438 -1.050 180 HE21 GLN 24 2HE2 GLN 24 -7.236 -8.657 -1.341 181 HE22 GLN 24 1HE2 GLN 24 -8.143 -7.862 -2.534 182 H GLN 25 H GLN 25 -1.356 -5.798 -2.790 183 HA GLN 25 HA GLN 25 -0.808 -7.989 -4.521 184 HB2 GLN 25 1HB GLN 25 -0.493 -5.554 -5.072 185 HB3 GLN 25 2HB GLN 25 0.938 -5.555 -4.042 186 HG2 GLN 25 1HG GLN 25 1.834 -7.457 -5.461 187 HG3 GLN 25 2HG GLN 25 0.493 -7.161 -6.570 188 HE21 GLN 25 2HE2 GLN 25 1.201 -5.896 -8.300 189 HE22 GLN 25 1HE2 GLN 25 2.294 -4.603 -8.179 190 H TYR 26 H TYR 26 0.973 -6.693 -1.733 191 HA TYR 26 HA TYR 26 3.274 -8.389 -2.000 192 HB2 TYR 26 1HB TYR 26 3.251 -6.357 -0.604 193 HB3 TYR 26 2HB TYR 26 2.085 -7.115 0.481 194 HD1 TYR 26 HD2 TYR 26 5.530 -7.373 -0.869 195 HD2 TYR 26 HD1 TYR 26 2.769 -8.680 2.147 196 HE1 TYR 26 HE2 TYR 26 7.396 -8.448 0.365 197 HE2 TYR 26 HE1 TYR 26 4.634 -9.760 3.382 198 HH TYR 26 HH TYR 26 7.399 -10.583 2.182 199 H LEU 27 H LEU 27 0.401 -8.674 0.103 200 HA LEU 27 HA LEU 27 1.169 -11.307 1.046 201 HB2 LEU 27 1HB LEU 27 -1.389 -9.712 1.207 202 HB3 LEU 27 2HB LEU 27 -1.204 -11.302 1.952 203 HG LEU 27 HG LEU 27 0.507 -8.860 2.516 204 HD11 LEU 27 1HD1 LEU 27 -0.608 -9.552 4.881 205 HD12 LEU 27 2HD1 LEU 27 -1.894 -10.067 3.789 206 HD13 LEU 27 3HD1 LEU 27 -1.349 -8.390 3.781 207 HD21 LEU 27 3HD2 LEU 27 0.726 -11.751 3.185 208 HD22 LEU 27 1HD2 LEU 27 1.067 -10.617 4.491 209 HD23 LEU 27 2HD2 LEU 27 1.997 -10.545 2.994 210 H ASN 28 H ASN 28 -1.074 -10.082 -1.411 211 HA ASN 28 HA ASN 28 -2.354 -12.535 -2.033 212 HB2 ASN 28 1HB ASN 28 -3.057 -10.278 -2.822 213 HB3 ASN 28 2HB ASN 28 -1.708 -10.292 -3.955 214 HD21 ASN 28 2HD2 ASN 28 -2.040 -11.325 -5.915 215 HD22 ASN 28 1HD2 ASN 28 -3.382 -12.294 -6.290 216 H VAL 29 H VAL 29 0.649 -11.140 -3.401 217 HA VAL 29 HA VAL 29 1.019 -13.333 -5.252 218 HB VAL 29 HB VAL 29 3.331 -12.398 -5.455 219 HG11 VAL 29 1HG1 VAL 29 2.521 -10.836 -6.880 220 HG12 VAL 29 2HG1 VAL 29 1.721 -9.951 -5.582 221 HG13 VAL 29 3HG1 VAL 29 0.930 -11.345 -6.315 222 HG21 VAL 29 3HG2 VAL 29 4.006 -11.472 -3.463 223 HG22 VAL 29 1HG2 VAL 29 2.378 -10.939 -3.049 224 HG23 VAL 29 2HG2 VAL 29 3.342 -10.014 -4.199 225 H VAL 30 H VAL 30 1.911 -12.656 -1.941 226 HA VAL 30 HA VAL 30 2.916 -14.009 -0.313 227 HB VAL 30 HB VAL 30 1.929 -16.123 -2.244 228 HG11 VAL 30 1HG1 VAL 30 2.001 -17.375 0.139 229 HG12 VAL 30 2HG1 VAL 30 3.367 -16.280 0.358 230 HG13 VAL 30 3HG1 VAL 30 3.356 -17.417 -0.989 231 HG21 VAL 30 3HG2 VAL 30 0.088 -14.868 -1.388 232 HG22 VAL 30 1HG2 VAL 30 0.790 -14.809 0.230 233 HG23 VAL 30 2HG2 VAL 30 0.163 -16.330 -0.405 Start of MODEL 8 1 H2 PRO 1 1H PRO 1 7.774 -9.146 3.840 2 H3 PRO 1 2H PRO 1 9.009 -9.330 4.995 3 HA PRO 1 HA PRO 1 9.266 -7.136 4.881 4 HB2 PRO 1 1HB PRO 1 10.227 -6.890 2.184 5 HB3 PRO 1 2HB PRO 1 11.178 -6.975 3.680 6 HG2 PRO 1 1HG PRO 1 11.082 -8.931 1.731 7 HG3 PRO 1 2HG PRO 1 11.624 -9.161 3.399 8 HD2 PRO 1 1HD PRO 1 9.017 -9.918 2.147 9 HD3 PRO 1 2HD PRO 1 9.898 -10.698 3.477 10 H PHE 2 H PHE 2 8.478 -5.102 4.008 11 HA PHE 2 HA PHE 2 6.156 -5.478 2.170 12 HB2 PHE 2 1HB PHE 2 4.951 -3.845 3.352 13 HB3 PHE 2 2HB PHE 2 5.791 -4.723 4.628 14 HD1 PHE 2 HD1 PHE 2 7.979 -3.789 5.521 15 HD2 PHE 2 HD2 PHE 2 5.343 -1.542 2.986 16 HE1 PHE 2 HE1 PHE 2 9.083 -1.688 6.241 17 HE2 PHE 2 HE2 PHE 2 6.446 0.561 3.703 18 HZ PHE 2 HZ PHE 2 8.315 0.488 5.331 19 HA PRO 3 HA PRO 3 9.062 -3.058 -0.341 20 HB2 PRO 3 1HB PRO 3 7.256 -3.361 -2.557 21 HB3 PRO 3 2HB PRO 3 8.826 -4.121 -2.295 22 HG2 PRO 3 1HG PRO 3 6.285 -5.327 -2.165 23 HG3 PRO 3 2HG PRO 3 7.856 -6.056 -1.815 24 HD2 PRO 3 1HD PRO 3 5.774 -5.310 0.035 25 HD3 PRO 3 2HD PRO 3 7.284 -6.156 0.377 26 HA PRO 4 HA PRO 4 5.560 0.052 -1.633 27 HB2 PRO 4 1HB PRO 4 3.360 -0.328 0.184 28 HB3 PRO 4 2HB PRO 4 3.361 -0.441 -1.581 29 HG2 PRO 4 1HG PRO 4 3.132 -2.546 0.276 30 HG3 PRO 4 2HG PRO 4 3.285 -2.664 -1.480 31 HD2 PRO 4 1HD PRO 4 5.260 -3.284 0.559 32 HD3 PRO 4 2HD PRO 4 5.330 -3.590 -1.190 33 H THR 5 H THR 5 6.006 2.027 -0.795 34 HA THR 5 HA THR 5 6.170 2.299 2.177 35 HB THR 5 HB THR 5 8.433 2.282 1.301 36 HG1 THR 5 HG1 THR 5 7.380 4.824 1.930 37 HG21 THR 5 3HG2 THR 5 8.137 4.672 -0.386 38 HG22 THR 5 1HG2 THR 5 7.296 3.252 -1.008 39 HG23 THR 5 2HG2 THR 5 9.030 3.182 -0.692 40 HA PRO 6 HA PRO 6 3.033 5.236 0.464 41 HB2 PRO 6 1HB PRO 6 2.057 5.573 3.153 42 HB3 PRO 6 2HB PRO 6 1.257 4.782 1.789 43 HG2 PRO 6 1HG PRO 6 2.502 3.594 4.074 44 HG3 PRO 6 2HG PRO 6 1.599 2.816 2.771 45 HD2 PRO 6 1HD PRO 6 4.381 2.654 3.238 46 HD3 PRO 6 2HD PRO 6 3.507 2.057 1.816 47 HA PRO 7 HA PRO 7 5.179 8.966 1.460 48 HB2 PRO 7 1HB PRO 7 2.822 10.602 1.540 49 HB3 PRO 7 2HB PRO 7 4.001 10.449 0.232 50 HG2 PRO 7 1HG PRO 7 1.343 9.423 0.363 51 HG3 PRO 7 2HG PRO 7 2.498 9.329 -0.968 52 HD2 PRO 7 1HD PRO 7 1.629 7.200 0.717 53 HD3 PRO 7 2HD PRO 7 2.876 7.144 -0.545 54 H GLY 8 H GLY 8 1.996 9.410 3.022 55 HA2 GLY 8 1HA GLY 8 2.746 8.898 5.683 56 HA3 GLY 8 2HA GLY 8 3.150 10.587 5.379 57 H GLU 9 H GLU 9 1.304 10.296 7.255 58 HA GLU 9 HA GLU 9 -1.413 10.013 6.419 59 HB2 GLU 9 1HB GLU 9 -0.645 9.960 8.789 60 HB3 GLU 9 2HB GLU 9 -0.321 11.691 8.695 61 HG2 GLU 9 1HG GLU 9 -2.717 12.067 8.103 62 HG3 GLU 9 2HG GLU 9 -3.013 10.343 8.335 63 H GLU 10 H GLU 10 0.779 12.775 6.424 64 HA GLU 10 HA GLU 10 -1.123 14.838 6.012 65 HB2 GLU 10 1HB GLU 10 1.330 15.167 6.460 66 HB3 GLU 10 2HB GLU 10 1.648 14.693 4.790 67 HG2 GLU 10 1HG GLU 10 1.552 17.086 4.792 68 HG3 GLU 10 2HG GLU 10 0.030 16.534 4.091 69 H ALA 11 H ALA 11 0.262 12.500 3.760 70 HA ALA 11 HA ALA 11 -0.714 13.813 1.375 71 HB1 ALA 11 1HB ALA 11 1.111 12.207 1.223 72 HB2 ALA 11 2HB ALA 11 -0.259 11.606 0.291 73 HB3 ALA 11 3HB ALA 11 0.087 10.934 1.884 74 HA PRO 12 HA PRO 12 -5.005 12.911 1.336 75 HB2 PRO 12 1HB PRO 12 -5.011 11.789 -1.332 76 HB3 PRO 12 2HB PRO 12 -5.523 13.409 -0.830 77 HG2 PRO 12 1HG PRO 12 -3.056 12.580 -2.124 78 HG3 PRO 12 2HG PRO 12 -3.712 14.206 -1.899 79 HD2 PRO 12 1HD PRO 12 -1.484 13.205 -0.589 80 HD3 PRO 12 2HD PRO 12 -2.457 14.580 -0.027 81 H VAL 13 H VAL 13 -6.395 11.145 1.667 82 HA VAL 13 HA VAL 13 -5.241 8.631 2.358 83 HB VAL 13 HB VAL 13 -7.415 9.546 3.237 84 HG11 VAL 13 1HG1 VAL 13 -9.435 9.157 1.852 85 HG12 VAL 13 2HG1 VAL 13 -8.409 8.640 0.515 86 HG13 VAL 13 3HG1 VAL 13 -8.341 10.307 1.086 87 HG21 VAL 13 3HG2 VAL 13 -6.764 7.147 3.472 88 HG22 VAL 13 1HG2 VAL 13 -7.591 6.799 1.954 89 HG23 VAL 13 2HG2 VAL 13 -8.511 7.357 3.353 90 H GLU 14 H GLU 14 -6.231 9.877 -0.702 91 HA GLU 14 HA GLU 14 -6.948 7.449 -2.014 92 HB2 GLU 14 1HB GLU 14 -5.636 9.953 -3.120 93 HB3 GLU 14 2HB GLU 14 -6.340 8.668 -4.103 94 HG2 GLU 14 1HG GLU 14 -8.529 9.042 -2.991 95 HG3 GLU 14 2HG GLU 14 -7.818 10.370 -2.073 96 H ASP 15 H ASP 15 -3.839 8.991 -1.363 97 HA ASP 15 HA ASP 15 -2.263 7.307 -3.016 98 HB2 ASP 15 1HB ASP 15 -1.521 9.430 -1.807 99 HB3 ASP 15 2HB ASP 15 -1.359 8.430 -0.362 100 H LEU 16 H LEU 16 -3.331 6.947 0.354 101 HA LEU 16 HA LEU 16 -1.872 4.534 0.876 102 HB2 LEU 16 1HB LEU 16 -4.478 5.489 2.099 103 HB3 LEU 16 2HB LEU 16 -3.417 4.252 2.773 104 HG LEU 16 HG LEU 16 -2.765 7.183 2.357 105 HD11 LEU 16 1HD1 LEU 16 -4.084 6.730 4.362 106 HD12 LEU 16 2HD1 LEU 16 -2.422 7.091 4.829 107 HD13 LEU 16 3HD1 LEU 16 -2.992 5.422 4.818 108 HD21 LEU 16 3HD2 LEU 16 -0.725 6.141 1.868 109 HD22 LEU 16 1HD2 LEU 16 -1.046 4.785 2.949 110 HD23 LEU 16 2HD2 LEU 16 -0.612 6.360 3.615 111 H ILE 17 H ILE 17 -5.087 5.132 -0.511 112 HA ILE 17 HA ILE 17 -6.029 2.457 -0.443 113 HB ILE 17 HB ILE 17 -6.571 4.617 -2.496 114 HG12 ILE 17 1HG1 ILE 17 -8.111 3.724 -0.035 115 HG13 ILE 17 2HG1 ILE 17 -7.167 5.208 -0.161 116 HG21 ILE 17 1HG2 ILE 17 -7.309 2.657 -3.545 117 HG22 ILE 17 2HG2 ILE 17 -8.751 3.163 -2.664 118 HG23 ILE 17 3HG2 ILE 17 -7.727 1.881 -2.018 119 HD11 ILE 17 3HD1 ILE 17 -9.509 4.509 -1.953 120 HD12 ILE 17 1HD1 ILE 17 -8.611 6.026 -1.946 121 HD13 ILE 17 2HD1 ILE 17 -9.603 5.582 -0.558 122 H ARG 18 H ARG 18 -4.233 4.136 -3.072 123 HA ARG 18 HA ARG 18 -4.115 1.818 -4.743 124 HB2 ARG 18 1HB ARG 18 -2.218 4.175 -4.554 125 HB3 ARG 18 2HB ARG 18 -2.177 2.961 -5.835 126 HG2 ARG 18 1HG ARG 18 -4.769 3.580 -5.992 127 HG3 ARG 18 2HG ARG 18 -4.190 5.105 -5.317 128 HD2 ARG 18 1HD ARG 18 -4.084 5.333 -7.704 129 HD3 ARG 18 2HD ARG 18 -2.425 5.115 -7.144 130 HE ARG 18 HE ARG 18 -3.265 2.533 -7.702 131 HH11 ARG 18 1HH1 ARG 18 -1.905 5.132 -9.285 132 HH12 ARG 18 2HH1 ARG 18 -2.292 4.601 -10.888 133 HH21 ARG 18 1HH2 ARG 18 -4.351 2.021 -9.821 134 HH22 ARG 18 2HH2 ARG 18 -3.679 2.838 -11.191 135 H PHE 19 H PHE 19 -1.903 3.020 -2.226 136 HA PHE 19 HA PHE 19 0.091 1.004 -2.597 137 HB2 PHE 19 1HB PHE 19 -0.733 2.713 -0.251 138 HB3 PHE 19 2HB PHE 19 0.503 1.465 -0.066 139 HD1 PHE 19 HD1 PHE 19 -0.370 3.964 -2.733 140 HD2 PHE 19 HD2 PHE 19 2.663 2.318 -0.180 141 HE1 PHE 19 HE1 PHE 19 1.310 5.477 -3.754 142 HE2 PHE 19 HE2 PHE 19 4.344 3.826 -1.201 143 HZ PHE 19 HZ PHE 19 3.668 5.405 -2.989 144 H TYR 20 H TYR 20 -2.977 1.079 -0.872 145 HA TYR 20 HA TYR 20 -2.724 -1.358 0.576 146 HB2 TYR 20 1HB TYR 20 -4.621 0.279 0.815 147 HB3 TYR 20 2HB TYR 20 -5.229 -0.259 -0.749 148 HD1 TYR 20 HD1 TYR 20 -4.533 -1.312 2.739 149 HD2 TYR 20 HD2 TYR 20 -6.368 -2.350 -1.004 150 HE1 TYR 20 HE1 TYR 20 -5.695 -3.209 3.834 151 HE2 TYR 20 HE2 TYR 20 -7.528 -4.249 0.092 152 HH TYR 20 HH TYR 20 -8.090 -5.144 2.102 153 H ASN 21 H ASN 21 -3.604 -0.637 -2.776 154 HA ASN 21 HA ASN 21 -4.364 -3.261 -3.573 155 HB2 ASN 21 1HB ASN 21 -4.591 -2.271 -5.591 156 HB3 ASN 21 2HB ASN 21 -4.047 -0.781 -4.824 157 HD21 ASN 21 2HD2 ASN 21 -2.083 0.086 -5.569 158 HD22 ASN 21 1HD2 ASN 21 -0.990 -0.739 -6.571 159 H ASP 22 H ASP 22 -1.197 -1.635 -3.563 160 HA ASP 22 HA ASP 22 0.315 -3.830 -4.598 161 HB2 ASP 22 1HB ASP 22 1.106 -1.575 -2.729 162 HB3 ASP 22 2HB ASP 22 2.256 -2.698 -3.457 163 H LEU 23 H LEU 23 -0.713 -2.963 -1.323 164 HA LEU 23 HA LEU 23 0.805 -4.960 0.069 165 HB2 LEU 23 1HB LEU 23 -1.645 -3.347 0.666 166 HB3 LEU 23 2HB LEU 23 -1.314 -4.751 1.679 167 HG LEU 23 HG LEU 23 0.903 -2.799 1.113 168 HD11 LEU 23 1HD1 LEU 23 -0.018 -1.918 3.502 169 HD12 LEU 23 2HD1 LEU 23 -1.548 -2.331 2.729 170 HD13 LEU 23 3HD1 LEU 23 -0.463 -1.168 1.969 171 HD21 LEU 23 3HD2 LEU 23 0.520 -3.914 3.796 172 HD22 LEU 23 1HD2 LEU 23 1.944 -3.961 2.757 173 HD23 LEU 23 2HD2 LEU 23 0.665 -5.159 2.556 174 H GLN 24 H GLN 24 -2.337 -5.018 -1.559 175 HA GLN 24 HA GLN 24 -3.212 -7.577 -0.680 176 HB2 GLN 24 1HB GLN 24 -4.577 -5.922 -2.001 177 HB3 GLN 24 2HB GLN 24 -3.638 -6.362 -3.428 178 HG2 GLN 24 1HG GLN 24 -4.375 -8.687 -3.233 179 HG3 GLN 24 2HG GLN 24 -5.259 -8.303 -1.754 180 HE21 GLN 24 2HE2 GLN 24 -6.848 -9.336 -3.707 181 HE22 GLN 24 1HE2 GLN 24 -7.766 -8.130 -4.470 182 H GLN 25 H GLN 25 -1.249 -6.661 -3.531 183 HA GLN 25 HA GLN 25 -0.839 -9.350 -4.451 184 HB2 GLN 25 1HB GLN 25 -0.358 -7.358 -5.847 185 HB3 GLN 25 2HB GLN 25 0.965 -6.928 -4.762 186 HG2 GLN 25 1HG GLN 25 2.058 -9.101 -5.263 187 HG3 GLN 25 2HG GLN 25 0.758 -9.475 -6.395 188 HE21 GLN 25 2HE2 GLN 25 3.353 -9.349 -7.423 189 HE22 GLN 25 1HE2 GLN 25 3.537 -7.947 -8.361 190 H TYR 26 H TYR 26 0.965 -7.252 -2.245 191 HA TYR 26 HA TYR 26 3.158 -9.041 -1.788 192 HB2 TYR 26 1HB TYR 26 3.573 -6.846 -1.118 193 HB3 TYR 26 2HB TYR 26 1.987 -6.669 -0.384 194 HD1 TYR 26 HD1 TYR 26 4.176 -9.574 0.133 195 HD2 TYR 26 HD2 TYR 26 2.733 -5.898 1.783 196 HE1 TYR 26 HE1 TYR 26 5.147 -10.189 2.331 197 HE2 TYR 26 HE2 TYR 26 3.697 -6.502 3.986 198 HH TYR 26 HH TYR 26 4.302 -8.909 5.129 199 H LEU 27 H LEU 27 0.221 -8.410 0.166 200 HA LEU 27 HA LEU 27 0.820 -10.583 1.990 201 HB2 LEU 27 1HB LEU 27 -1.713 -8.997 1.508 202 HB3 LEU 27 2HB LEU 27 -1.501 -10.158 2.821 203 HG LEU 27 HG LEU 27 0.357 -7.808 2.362 204 HD11 LEU 27 1HD1 LEU 27 -1.307 -7.625 4.727 205 HD12 LEU 27 2HD1 LEU 27 -2.315 -7.741 3.286 206 HD13 LEU 27 3HD1 LEU 27 -1.111 -6.459 3.420 207 HD21 LEU 27 3HD2 LEU 27 1.598 -8.961 3.856 208 HD22 LEU 27 1HD2 LEU 27 0.302 -10.127 4.127 209 HD23 LEU 27 2HD2 LEU 27 0.338 -8.620 5.042 210 H ASN 28 H ASN 28 -1.290 -10.227 -0.856 211 HA ASN 28 HA ASN 28 -2.623 -12.739 -0.594 212 HB2 ASN 28 1HB ASN 28 -3.317 -10.903 -2.147 213 HB3 ASN 28 2HB ASN 28 -1.944 -11.309 -3.178 214 HD21 ASN 28 2HD2 ASN 28 -2.220 -13.026 -4.638 215 HD22 ASN 28 1HD2 ASN 28 -3.566 -14.059 -4.653 216 H VAL 29 H VAL 29 0.412 -11.895 -2.285 217 HA VAL 29 HA VAL 29 0.801 -14.618 -3.223 218 HB VAL 29 HB VAL 29 3.011 -13.799 -3.924 219 HG11 VAL 29 1HG1 VAL 29 2.225 -11.898 -5.361 220 HG12 VAL 29 2HG1 VAL 29 0.723 -11.885 -4.438 221 HG13 VAL 29 3HG1 VAL 29 1.153 -13.298 -5.401 222 HG21 VAL 29 3HG2 VAL 29 2.325 -11.684 -1.971 223 HG22 VAL 29 1HG2 VAL 29 3.122 -11.131 -3.443 224 HG23 VAL 29 2HG2 VAL 29 3.902 -12.333 -2.415 225 H VAL 30 H VAL 30 1.735 -12.699 -0.448 226 HA VAL 30 HA VAL 30 2.827 -13.299 1.540 227 HB VAL 30 HB VAL 30 1.938 -16.049 0.632 228 HG11 VAL 30 1HG1 VAL 30 3.000 -14.964 3.247 229 HG12 VAL 30 2HG1 VAL 30 3.557 -16.373 2.344 230 HG13 VAL 30 3HG1 VAL 30 2.008 -16.422 3.185 231 HG21 VAL 30 3HG2 VAL 30 0.632 -13.891 2.305 232 HG22 VAL 30 1HG2 VAL 30 0.086 -15.568 2.314 233 HG23 VAL 30 2HG2 VAL 30 0.019 -14.629 0.825 Start of MODEL 9 1 H2 PRO 1 1H PRO 1 9.580 -7.096 3.490 2 H3 PRO 1 2H PRO 1 10.299 -8.636 3.428 3 HA PRO 1 HA PRO 1 8.289 -9.456 3.053 4 HB2 PRO 1 1HB PRO 1 6.966 -8.771 5.510 5 HB3 PRO 1 2HB PRO 1 7.719 -10.315 5.063 6 HG2 PRO 1 1HG PRO 1 8.658 -8.543 6.980 7 HG3 PRO 1 2HG PRO 1 9.573 -9.863 6.240 8 HD2 PRO 1 1HD PRO 1 9.736 -6.940 5.706 9 HD3 PRO 1 2HD PRO 1 10.972 -8.196 5.495 10 H PHE 2 H PHE 2 8.318 -6.128 4.096 11 HA PHE 2 HA PHE 2 5.753 -5.749 2.622 12 HB2 PHE 2 1HB PHE 2 4.969 -4.196 4.191 13 HB3 PHE 2 2HB PHE 2 5.650 -5.477 5.188 14 HD1 PHE 2 HD1 PHE 2 8.182 -5.202 5.840 15 HD2 PHE 2 HD2 PHE 2 5.658 -1.984 4.520 16 HE1 PHE 2 HE1 PHE 2 9.724 -3.563 6.884 17 HE2 PHE 2 HE2 PHE 2 7.200 -0.346 5.566 18 HZ PHE 2 HZ PHE 2 9.233 -1.135 6.746 19 HA PRO 3 HA PRO 3 9.084 -3.398 0.536 20 HB2 PRO 3 1HB PRO 3 7.447 -3.492 -1.825 21 HB3 PRO 3 2HB PRO 3 8.983 -4.299 -1.508 22 HG2 PRO 3 1HG PRO 3 6.433 -5.471 -1.672 23 HG3 PRO 3 2HG PRO 3 7.957 -6.249 -1.230 24 HD2 PRO 3 1HD PRO 3 5.723 -5.568 0.469 25 HD3 PRO 3 2HD PRO 3 7.165 -6.488 0.887 26 HA PRO 4 HA PRO 4 5.781 -0.087 -0.763 27 HB2 PRO 4 1HB PRO 4 3.389 -0.587 0.750 28 HB3 PRO 4 2HB PRO 4 3.588 -0.556 -1.007 29 HG2 PRO 4 1HG PRO 4 3.130 -2.801 0.625 30 HG3 PRO 4 2HG PRO 4 3.482 -2.777 -1.104 31 HD2 PRO 4 1HD PRO 4 5.206 -3.589 1.088 32 HD3 PRO 4 2HD PRO 4 5.460 -3.772 -0.660 33 H THR 5 H THR 5 5.822 1.870 0.336 34 HA THR 5 HA THR 5 6.100 1.718 3.313 35 HB THR 5 HB THR 5 8.153 2.571 2.567 36 HG1 THR 5 HG1 THR 5 6.846 5.031 2.536 37 HG21 THR 5 3HG2 THR 5 8.255 4.288 0.706 38 HG22 THR 5 1HG2 THR 5 6.538 3.993 0.436 39 HG23 THR 5 2HG2 THR 5 7.704 2.689 0.207 40 HA PRO 6 HA PRO 6 2.355 3.977 3.675 41 HB2 PRO 6 1HB PRO 6 3.298 5.693 5.784 42 HB3 PRO 6 2HB PRO 6 2.258 4.269 5.919 43 HG2 PRO 6 1HG PRO 6 5.040 4.548 6.573 44 HG3 PRO 6 2HG PRO 6 3.956 3.186 6.872 45 HD2 PRO 6 1HD PRO 6 6.075 3.258 5.014 46 HD3 PRO 6 2HD PRO 6 4.806 2.024 5.119 47 HA PRO 7 HA PRO 7 3.211 7.864 1.570 48 HB2 PRO 7 1HB PRO 7 0.584 8.924 2.045 49 HB3 PRO 7 2HB PRO 7 1.203 8.160 0.572 50 HG2 PRO 7 1HG PRO 7 -0.732 7.117 2.223 51 HG3 PRO 7 2HG PRO 7 0.215 6.201 1.047 52 HD2 PRO 7 1HD PRO 7 0.528 6.352 4.014 53 HD3 PRO 7 2HD PRO 7 0.860 5.014 2.895 54 H GLY 8 H GLY 8 3.082 10.299 1.949 55 HA2 GLY 8 1HA GLY 8 3.883 10.943 4.650 56 HA3 GLY 8 2HA GLY 8 3.589 12.115 3.361 57 H GLU 9 H GLU 9 2.689 12.392 6.130 58 HA GLU 9 HA GLU 9 -0.051 11.670 6.443 59 HB2 GLU 9 1HB GLU 9 1.455 14.059 7.556 60 HB3 GLU 9 2HB GLU 9 -0.132 13.524 8.110 61 HG2 GLU 9 1HG GLU 9 2.401 11.854 8.174 62 HG3 GLU 9 2HG GLU 9 1.665 12.647 9.567 63 H GLU 10 H GLU 10 1.472 14.491 4.954 64 HA GLU 10 HA GLU 10 -1.012 15.879 4.434 65 HB2 GLU 10 1HB GLU 10 1.733 16.156 3.173 66 HB3 GLU 10 2HB GLU 10 0.389 17.266 2.902 67 HG2 GLU 10 1HG GLU 10 0.291 17.703 5.351 68 HG3 GLU 10 2HG GLU 10 1.698 16.662 5.569 69 H ALA 11 H ALA 11 0.750 13.348 2.802 70 HA ALA 11 HA ALA 11 -0.083 13.625 0.155 71 HB1 ALA 11 1HB ALA 11 0.311 11.300 -0.107 72 HB2 ALA 11 2HB ALA 11 -0.143 10.955 1.562 73 HB3 ALA 11 3HB ALA 11 1.375 11.784 1.216 74 HA PRO 12 HA PRO 12 -4.503 13.525 0.130 75 HB2 PRO 12 1HB PRO 12 -4.644 11.828 -2.209 76 HB3 PRO 12 2HB PRO 12 -4.882 13.580 -2.119 77 HG2 PRO 12 1HG PRO 12 -2.589 12.095 -3.076 78 HG3 PRO 12 2HG PRO 12 -2.937 13.822 -3.214 79 HD2 PRO 12 1HD PRO 12 -0.958 12.689 -1.606 80 HD3 PRO 12 2HD PRO 12 -1.599 14.336 -1.447 81 H VAL 13 H VAL 13 -6.204 12.104 0.711 82 HA VAL 13 HA VAL 13 -5.512 9.698 2.062 83 HB VAL 13 HB VAL 13 -7.589 11.090 2.440 84 HG11 VAL 13 1HG1 VAL 13 -8.090 11.150 -0.083 85 HG12 VAL 13 2HG1 VAL 13 -9.460 10.879 0.995 86 HG13 VAL 13 3HG1 VAL 13 -8.738 9.523 0.128 87 HG21 VAL 13 3HG2 VAL 13 -9.045 9.098 2.862 88 HG22 VAL 13 1HG2 VAL 13 -7.394 8.876 3.442 89 HG23 VAL 13 2HG2 VAL 13 -7.910 8.117 1.936 90 H GLU 14 H GLU 14 -6.206 10.312 -1.295 91 HA GLU 14 HA GLU 14 -7.015 7.674 -2.058 92 HB2 GLU 14 1HB GLU 14 -5.532 9.808 -3.626 93 HB3 GLU 14 2HB GLU 14 -6.242 8.357 -4.334 94 HG2 GLU 14 1HG GLU 14 -8.467 9.056 -3.451 95 HG3 GLU 14 2HG GLU 14 -7.734 10.546 -2.857 96 H ASP 15 H ASP 15 -3.899 9.200 -1.497 97 HA ASP 15 HA ASP 15 -2.256 7.189 -2.648 98 HB2 ASP 15 1HB ASP 15 -1.754 9.066 -0.323 99 HB3 ASP 15 2HB ASP 15 -0.509 8.047 -1.047 100 H LEU 16 H LEU 16 -3.682 7.484 0.596 101 HA LEU 16 HA LEU 16 -2.378 5.208 1.738 102 HB2 LEU 16 1HB LEU 16 -4.974 6.627 2.338 103 HB3 LEU 16 2HB LEU 16 -4.525 5.160 3.206 104 HG LEU 16 HG LEU 16 -2.252 6.373 3.602 105 HD11 LEU 16 1HD1 LEU 16 -3.819 8.895 3.549 106 HD12 LEU 16 2HD1 LEU 16 -3.312 8.270 1.983 107 HD13 LEU 16 3HD1 LEU 16 -2.108 8.627 3.217 108 HD21 LEU 16 3HD2 LEU 16 -4.652 7.554 5.009 109 HD22 LEU 16 1HD2 LEU 16 -3.063 7.193 5.683 110 HD23 LEU 16 2HD2 LEU 16 -4.160 5.879 5.258 111 H ILE 17 H ILE 17 -5.408 5.563 -0.093 112 HA ILE 17 HA ILE 17 -6.285 2.863 0.140 113 HB ILE 17 HB ILE 17 -6.607 4.745 -2.222 114 HG12 ILE 17 1HG1 ILE 17 -8.428 4.253 0.157 115 HG13 ILE 17 2HG1 ILE 17 -7.385 5.663 -0.026 116 HG21 ILE 17 1HG2 ILE 17 -7.379 2.750 -3.082 117 HG22 ILE 17 2HG2 ILE 17 -8.835 3.257 -2.224 118 HG23 ILE 17 3HG2 ILE 17 -7.742 2.083 -1.490 119 HD11 ILE 17 3HD1 ILE 17 -8.681 5.673 -2.426 120 HD12 ILE 17 1HD1 ILE 17 -9.215 6.589 -1.018 121 HD13 ILE 17 2HD1 ILE 17 -9.937 5.020 -1.374 122 H ARG 18 H ARG 18 -4.123 4.418 -2.228 123 HA ARG 18 HA ARG 18 -3.656 2.094 -3.818 124 HB2 ARG 18 1HB ARG 18 -3.009 4.377 -4.525 125 HB3 ARG 18 2HB ARG 18 -1.774 4.408 -3.265 126 HG2 ARG 18 1HG ARG 18 -0.402 2.935 -4.376 127 HG3 ARG 18 2HG ARG 18 -1.753 2.080 -5.125 128 HD2 ARG 18 1HD ARG 18 -0.965 4.900 -5.886 129 HD3 ARG 18 2HD ARG 18 -0.352 3.470 -6.722 130 HE ARG 18 HE ARG 18 -3.006 3.016 -6.888 131 HH11 ARG 18 1HH1 ARG 18 -1.756 6.172 -6.677 132 HH12 ARG 18 2HH1 ARG 18 -2.584 6.760 -8.079 133 HH21 ARG 18 1HH2 ARG 18 -3.836 3.655 -8.975 134 HH22 ARG 18 2HH2 ARG 18 -3.757 5.338 -9.380 135 H PHE 19 H PHE 19 -2.085 3.305 -0.870 136 HA PHE 19 HA PHE 19 0.098 1.508 -0.772 137 HB2 PHE 19 1HB PHE 19 -0.225 3.382 0.822 138 HB3 PHE 19 2HB PHE 19 -1.578 2.517 1.548 139 HD1 PHE 19 HD2 PHE 19 2.089 2.414 0.951 140 HD2 PHE 19 HD1 PHE 19 -1.231 0.707 3.074 141 HE1 PHE 19 HE2 PHE 19 3.658 1.153 2.399 142 HE2 PHE 19 HE1 PHE 19 0.341 -0.551 4.523 143 HZ PHE 19 HZ PHE 19 2.786 -0.326 4.185 144 H TYR 20 H TYR 20 -3.224 1.114 0.441 145 HA TYR 20 HA TYR 20 -2.888 -1.529 1.464 146 HB2 TYR 20 1HB TYR 20 -4.856 -0.068 1.938 147 HB3 TYR 20 2HB TYR 20 -5.387 -0.289 0.270 148 HD1 TYR 20 HD1 TYR 20 -4.763 -2.026 3.491 149 HD2 TYR 20 HD2 TYR 20 -6.425 -2.316 -0.458 150 HE1 TYR 20 HE1 TYR 20 -5.876 -4.155 4.116 151 HE2 TYR 20 HE2 TYR 20 -7.535 -4.444 0.164 152 HH TYR 20 HH TYR 20 -7.099 -5.865 3.404 153 H ASN 21 H ASN 21 -3.742 -0.305 -1.755 154 HA ASN 21 HA ASN 21 -4.369 -2.799 -2.968 155 HB2 ASN 21 1HB ASN 21 -4.732 -1.434 -4.716 156 HB3 ASN 21 2HB ASN 21 -4.044 -0.103 -3.794 157 HD21 ASN 21 2HD2 ASN 21 -1.790 0.464 -4.200 158 HD22 ASN 21 1HD2 ASN 21 -0.952 -0.137 -5.548 159 H ASP 22 H ASP 22 -1.254 -1.095 -2.649 160 HA ASP 22 HA ASP 22 0.316 -2.956 -4.112 161 HB2 ASP 22 1HB ASP 22 1.043 -1.183 -1.764 162 HB3 ASP 22 2HB ASP 22 2.221 -2.078 -2.723 163 H LEU 23 H LEU 23 -0.626 -2.928 -0.665 164 HA LEU 23 HA LEU 23 0.954 -5.164 0.132 165 HB2 LEU 23 1HB LEU 23 -0.261 -3.684 1.725 166 HB3 LEU 23 2HB LEU 23 -1.787 -4.372 1.167 167 HG LEU 23 HG LEU 23 -0.882 -6.650 1.804 168 HD11 LEU 23 1HD1 LEU 23 1.468 -5.040 2.262 169 HD12 LEU 23 2HD1 LEU 23 1.303 -6.794 2.326 170 HD13 LEU 23 3HD1 LEU 23 0.991 -5.827 3.767 171 HD21 LEU 23 3HD2 LEU 23 -0.973 -5.988 4.380 172 HD22 LEU 23 1HD2 LEU 23 -2.414 -5.883 3.368 173 HD23 LEU 23 2HD2 LEU 23 -1.480 -4.429 3.726 174 H GLN 24 H GLN 24 -2.298 -4.974 -1.287 175 HA GLN 24 HA GLN 24 -2.912 -7.759 -1.145 176 HB2 GLN 24 1HB GLN 24 -4.497 -5.867 -1.777 177 HB3 GLN 24 2HB GLN 24 -3.741 -5.879 -3.371 178 HG2 GLN 24 1HG GLN 24 -4.331 -8.270 -3.622 179 HG3 GLN 24 2HG GLN 24 -5.122 -8.230 -2.047 180 HE21 GLN 24 2HE2 GLN 24 -7.317 -7.723 -2.091 181 HE22 GLN 24 1HE2 GLN 24 -8.108 -6.936 -3.370 182 H GLN 25 H GLN 25 -1.119 -5.830 -3.517 183 HA GLN 25 HA GLN 25 -0.781 -7.867 -5.484 184 HB2 GLN 25 1HB GLN 25 -0.197 -5.398 -5.715 185 HB3 GLN 25 2HB GLN 25 1.255 -5.734 -4.774 186 HG2 GLN 25 1HG GLN 25 1.912 -5.902 -7.065 187 HG3 GLN 25 2HG GLN 25 1.774 -7.560 -6.481 188 HE21 GLN 25 2HE2 GLN 25 1.009 -8.681 -8.306 189 HE22 GLN 25 1HE2 GLN 25 -0.386 -8.255 -9.173 190 H TYR 26 H TYR 26 1.069 -7.058 -2.566 191 HA TYR 26 HA TYR 26 3.155 -9.004 -2.991 192 HB2 TYR 26 1HB TYR 26 3.449 -7.119 -1.452 193 HB3 TYR 26 2HB TYR 26 2.136 -7.720 -0.439 194 HD1 TYR 26 HD1 TYR 26 2.366 -9.988 0.659 195 HD2 TYR 26 HD2 TYR 26 5.653 -7.983 -1.236 196 HE1 TYR 26 HE1 TYR 26 3.959 -11.448 1.876 197 HE2 TYR 26 HE2 TYR 26 7.248 -9.445 -0.023 198 HH TYR 26 HH TYR 26 6.092 -11.878 2.312 199 H LEU 27 H LEU 27 0.287 -9.032 -0.854 200 HA LEU 27 HA LEU 27 0.656 -11.778 -0.059 201 HB2 LEU 27 1HB LEU 27 -1.700 -9.894 0.068 202 HB3 LEU 27 2HB LEU 27 -1.750 -11.528 0.734 203 HG LEU 27 HG LEU 27 0.279 -9.404 1.496 204 HD11 LEU 27 1HD1 LEU 27 -2.016 -10.486 3.151 205 HD12 LEU 27 2HD1 LEU 27 -2.134 -8.996 2.215 206 HD13 LEU 27 3HD1 LEU 27 -0.966 -9.122 3.529 207 HD21 LEU 27 3HD2 LEU 27 1.373 -11.350 2.060 208 HD22 LEU 27 1HD2 LEU 27 -0.119 -12.288 2.134 209 HD23 LEU 27 2HD2 LEU 27 0.329 -11.237 3.477 210 H ASN 28 H ASN 28 -1.265 -10.206 -2.591 211 HA ASN 28 HA ASN 28 -2.717 -12.569 -3.346 212 HB2 ASN 28 1HB ASN 28 -3.314 -10.182 -3.925 213 HB3 ASN 28 2HB ASN 28 -2.031 -10.230 -5.134 214 HD21 ASN 28 2HD2 ASN 28 -2.615 -11.026 -7.148 215 HD22 ASN 28 1HD2 ASN 28 -4.013 -11.934 -7.472 216 H VAL 29 H VAL 29 0.336 -11.156 -4.555 217 HA VAL 29 HA VAL 29 0.634 -13.204 -6.601 218 HB VAL 29 HB VAL 29 2.792 -12.169 -7.010 219 HG11 VAL 29 1HG1 VAL 29 0.424 -10.396 -6.521 220 HG12 VAL 29 2HG1 VAL 29 1.164 -10.870 -8.051 221 HG13 VAL 29 3HG1 VAL 29 1.952 -9.674 -7.023 222 HG21 VAL 29 3HG2 VAL 29 3.185 -10.080 -5.376 223 HG22 VAL 29 1HG2 VAL 29 3.827 -11.680 -5.009 224 HG23 VAL 29 2HG2 VAL 29 2.330 -11.137 -4.255 225 H VAL 30 H VAL 30 1.834 -12.630 -3.328 226 HA VAL 30 HA VAL 30 3.058 -14.033 -1.892 227 HB VAL 30 HB VAL 30 1.848 -16.183 -3.643 228 HG11 VAL 30 1HG1 VAL 30 3.669 -16.599 -1.755 229 HG12 VAL 30 2HG1 VAL 30 2.271 -17.666 -1.899 230 HG13 VAL 30 3HG1 VAL 30 2.284 -16.389 -0.682 231 HG21 VAL 30 3HG2 VAL 30 -0.010 -16.116 -1.947 232 HG22 VAL 30 1HG2 VAL 30 0.093 -14.671 -2.952 233 HG23 VAL 30 2HG2 VAL 30 0.709 -14.642 -1.299 Start of MODEL 10 1 H2 PRO 1 1H PRO 1 10.290 -5.160 3.550 2 H3 PRO 1 2H PRO 1 11.778 -5.963 3.367 3 HA PRO 1 HA PRO 1 10.825 -7.931 3.063 4 HB2 PRO 1 1HB PRO 1 8.516 -7.896 4.766 5 HB3 PRO 1 2HB PRO 1 10.028 -8.796 4.996 6 HG2 PRO 1 1HG PRO 1 9.148 -6.309 6.233 7 HG3 PRO 1 2HG PRO 1 10.435 -7.418 6.721 8 HD2 PRO 1 1HD PRO 1 10.904 -4.913 5.673 9 HD3 PRO 1 2HD PRO 1 12.057 -6.258 5.557 10 H PHE 2 H PHE 2 9.087 -4.981 2.936 11 HA PHE 2 HA PHE 2 7.348 -6.149 0.834 12 HB2 PHE 2 1HB PHE 2 5.370 -5.185 1.671 13 HB3 PHE 2 2HB PHE 2 6.170 -5.792 3.117 14 HD1 PHE 2 HD2 PHE 2 8.270 -3.754 3.574 15 HD2 PHE 2 HD1 PHE 2 4.179 -3.301 2.357 16 HE1 PHE 2 HE2 PHE 2 8.239 -1.473 4.537 17 HE2 PHE 2 HE1 PHE 2 4.145 -1.019 3.324 18 HZ PHE 2 HZ PHE 2 6.175 -0.104 4.415 19 HA PRO 3 HA PRO 3 9.200 -2.789 -1.416 20 HB2 PRO 3 1HB PRO 3 7.067 -2.772 -3.340 21 HB3 PRO 3 2HB PRO 3 8.703 -3.416 -3.506 22 HG2 PRO 3 1HG PRO 3 6.273 -4.852 -3.225 23 HG3 PRO 3 2HG PRO 3 7.911 -5.479 -3.407 24 HD2 PRO 3 1HD PRO 3 6.283 -5.520 -1.064 25 HD3 PRO 3 2HD PRO 3 7.942 -6.110 -1.241 26 HA PRO 4 HA PRO 4 5.312 0.134 -1.467 27 HB2 PRO 4 1HB PRO 4 3.536 -0.801 0.594 28 HB3 PRO 4 2HB PRO 4 3.201 -0.579 -1.127 29 HG2 PRO 4 1HG PRO 4 3.514 -3.007 0.292 30 HG3 PRO 4 2HG PRO 4 3.234 -2.782 -1.436 31 HD2 PRO 4 1HD PRO 4 5.648 -3.638 -0.125 32 HD3 PRO 4 2HD PRO 4 5.348 -3.458 -1.862 33 H THR 5 H THR 5 5.470 1.974 -0.212 34 HA THR 5 HA THR 5 6.555 1.629 2.556 35 HB THR 5 HB THR 5 7.282 4.182 1.778 36 HG1 THR 5 HG1 THR 5 8.352 3.620 -0.290 37 HG21 THR 5 3HG2 THR 5 8.913 2.984 2.893 38 HG22 THR 5 1HG2 THR 5 9.537 2.883 1.250 39 HG23 THR 5 2HG2 THR 5 8.642 1.529 1.937 40 HA PRO 6 HA PRO 6 3.204 3.852 4.162 41 HB2 PRO 6 1HB PRO 6 4.637 5.987 5.462 42 HB3 PRO 6 2HB PRO 6 3.930 4.541 6.195 43 HG2 PRO 6 1HG PRO 6 6.683 5.120 5.637 44 HG3 PRO 6 2HG PRO 6 5.987 3.754 6.515 45 HD2 PRO 6 1HD PRO 6 7.191 3.668 3.968 46 HD3 PRO 6 2HD PRO 6 6.255 2.374 4.733 47 HA PRO 7 HA PRO 7 2.603 7.321 1.373 48 HB2 PRO 7 1HB PRO 7 0.250 8.264 2.720 49 HB3 PRO 7 2HB PRO 7 0.346 7.278 1.253 50 HG2 PRO 7 1HG PRO 7 -0.622 6.436 3.689 51 HG3 PRO 7 2HG PRO 7 -0.092 5.383 2.372 52 HD2 PRO 7 1HD PRO 7 1.334 6.111 4.894 53 HD3 PRO 7 2HD PRO 7 1.389 4.616 3.938 54 H GLY 8 H GLY 8 1.337 8.437 4.510 55 HA2 GLY 8 1HA GLY 8 3.121 10.072 5.629 56 HA3 GLY 8 2HA GLY 8 2.777 11.003 4.167 57 H GLU 9 H GLU 9 2.119 11.620 7.042 58 HA GLU 9 HA GLU 9 -0.636 11.235 7.575 59 HB2 GLU 9 1HB GLU 9 1.016 12.159 9.202 60 HB3 GLU 9 2HB GLU 9 1.025 13.667 8.288 61 HG2 GLU 9 1HG GLU 9 -1.428 13.872 8.654 62 HG3 GLU 9 2HG GLU 9 -1.381 12.412 9.642 63 H GLU 10 H GLU 10 0.977 13.870 5.808 64 HA GLU 10 HA GLU 10 -1.498 15.263 5.236 65 HB2 GLU 10 1HB GLU 10 0.755 16.361 5.209 66 HB3 GLU 10 2HB GLU 10 1.140 15.447 3.750 67 HG2 GLU 10 1HG GLU 10 -0.845 16.452 2.631 68 HG3 GLU 10 2HG GLU 10 -1.136 17.425 4.072 69 H ALA 11 H ALA 11 0.311 12.695 3.687 70 HA ALA 11 HA ALA 11 -0.586 12.748 1.071 71 HB1 ALA 11 1HB ALA 11 -0.868 10.067 2.161 72 HB2 ALA 11 2HB ALA 11 0.601 10.853 2.737 73 HB3 ALA 11 3HB ALA 11 0.313 10.685 1.005 74 HA PRO 12 HA PRO 12 -5.043 12.687 1.645 75 HB2 PRO 12 1HB PRO 12 -5.432 12.015 -1.143 76 HB3 PRO 12 2HB PRO 12 -5.686 13.579 -0.353 77 HG2 PRO 12 1HG PRO 12 -3.597 12.839 -2.133 78 HG3 PRO 12 2HG PRO 12 -3.824 14.382 -1.305 79 HD2 PRO 12 1HD PRO 12 -1.843 12.358 -0.780 80 HD3 PRO 12 2HD PRO 12 -2.045 13.936 0.005 81 H VAL 13 H VAL 13 -6.756 11.083 1.547 82 HA VAL 13 HA VAL 13 -5.953 8.425 2.064 83 HB VAL 13 HB VAL 13 -8.192 9.498 2.624 84 HG11 VAL 13 1HG1 VAL 13 -9.870 9.667 0.999 85 HG12 VAL 13 2HG1 VAL 13 -9.070 8.531 -0.087 86 HG13 VAL 13 3HG1 VAL 13 -8.439 10.167 0.100 87 HG21 VAL 13 3HG2 VAL 13 -8.932 6.982 1.289 88 HG22 VAL 13 1HG2 VAL 13 -8.979 7.398 3.001 89 HG23 VAL 13 2HG2 VAL 13 -7.468 6.861 2.266 90 H GLU 14 H GLU 14 -6.330 10.044 -0.968 91 HA GLU 14 HA GLU 14 -6.926 7.777 -2.618 92 HB2 GLU 14 1HB GLU 14 -5.392 10.321 -3.240 93 HB3 GLU 14 2HB GLU 14 -5.957 9.170 -4.450 94 HG2 GLU 14 1HG GLU 14 -8.289 9.528 -3.667 95 HG3 GLU 14 2HG GLU 14 -7.698 10.736 -2.523 96 H ASP 15 H ASP 15 -3.903 9.253 -1.497 97 HA ASP 15 HA ASP 15 -2.191 7.471 -2.940 98 HB2 ASP 15 1HB ASP 15 -1.706 9.088 -0.424 99 HB3 ASP 15 2HB ASP 15 -0.442 8.230 -1.305 100 H LEU 16 H LEU 16 -3.576 7.402 0.323 101 HA LEU 16 HA LEU 16 -2.217 5.066 1.241 102 HB2 LEU 16 1HB LEU 16 -3.555 6.599 2.695 103 HB3 LEU 16 2HB LEU 16 -5.025 5.978 1.944 104 HG LEU 16 HG LEU 16 -3.398 3.760 2.783 105 HD11 LEU 16 1HD1 LEU 16 -4.152 5.607 5.056 106 HD12 LEU 16 2HD1 LEU 16 -2.526 5.569 4.373 107 HD13 LEU 16 3HD1 LEU 16 -3.198 4.125 5.132 108 HD21 LEU 16 3HD2 LEU 16 -5.460 3.352 4.208 109 HD22 LEU 16 1HD2 LEU 16 -5.780 3.575 2.488 110 HD23 LEU 16 2HD2 LEU 16 -6.080 4.894 3.620 111 H ILE 17 H ILE 17 -5.195 5.504 -0.627 112 HA ILE 17 HA ILE 17 -6.120 2.829 -0.607 113 HB ILE 17 HB ILE 17 -6.319 5.019 -2.673 114 HG12 ILE 17 1HG1 ILE 17 -8.444 3.735 -0.934 115 HG13 ILE 17 2HG1 ILE 17 -7.527 5.158 -0.435 116 HG21 ILE 17 1HG2 ILE 17 -7.206 2.157 -2.768 117 HG22 ILE 17 2HG2 ILE 17 -6.556 3.169 -4.059 118 HG23 ILE 17 3HG2 ILE 17 -8.218 3.394 -3.513 119 HD11 ILE 17 3HD1 ILE 17 -9.857 5.121 -2.014 120 HD12 ILE 17 1HD1 ILE 17 -8.541 5.503 -3.126 121 HD13 ILE 17 2HD1 ILE 17 -8.811 6.506 -1.701 122 H ARG 18 H ARG 18 -4.037 4.415 -3.066 123 HA ARG 18 HA ARG 18 -3.570 2.096 -4.620 124 HB2 ARG 18 1HB ARG 18 -2.869 4.453 -5.200 125 HB3 ARG 18 2HB ARG 18 -1.536 4.273 -4.060 126 HG2 ARG 18 1HG ARG 18 -1.639 1.979 -5.812 127 HG3 ARG 18 2HG ARG 18 -1.589 3.461 -6.768 128 HD2 ARG 18 1HD ARG 18 0.673 2.454 -6.053 129 HD3 ARG 18 2HD ARG 18 0.433 4.177 -5.762 130 HE ARG 18 HE ARG 18 -0.421 2.684 -3.464 131 HH11 ARG 18 1HH1 ARG 18 2.371 3.592 -5.273 132 HH12 ARG 18 2HH1 ARG 18 3.420 3.632 -3.895 133 HH21 ARG 18 1HH2 ARG 18 0.928 2.781 -1.641 134 HH22 ARG 18 2HH2 ARG 18 2.602 3.178 -1.840 135 H PHE 19 H PHE 19 -1.956 3.273 -1.694 136 HA PHE 19 HA PHE 19 0.115 1.303 -1.591 137 HB2 PHE 19 1HB PHE 19 0.243 3.237 -0.144 138 HB3 PHE 19 2HB PHE 19 -1.314 2.850 0.592 139 HD1 PHE 19 HD1 PHE 19 -1.549 0.721 1.932 140 HD2 PHE 19 HD2 PHE 19 2.262 2.238 0.654 141 HE1 PHE 19 HE1 PHE 19 -0.420 -0.699 3.621 142 HE2 PHE 19 HE2 PHE 19 3.391 0.815 2.345 143 HZ PHE 19 HZ PHE 19 2.048 -0.653 3.828 144 H TYR 20 H TYR 20 -3.187 1.364 -0.281 145 HA TYR 20 HA TYR 20 -3.096 -1.095 1.123 146 HB2 TYR 20 1HB TYR 20 -4.959 0.593 1.212 147 HB3 TYR 20 2HB TYR 20 -5.476 0.033 -0.378 148 HD1 TYR 20 HD1 TYR 20 -5.092 -0.885 3.178 149 HD2 TYR 20 HD2 TYR 20 -6.531 -2.131 -0.673 150 HE1 TYR 20 HE1 TYR 20 -6.324 -2.754 4.242 151 HE2 TYR 20 HE2 TYR 20 -7.763 -3.999 0.391 152 HH TYR 20 HH TYR 20 -7.919 -5.230 2.322 153 H ASN 21 H ASN 21 -3.912 -0.429 -2.293 154 HA ASN 21 HA ASN 21 -4.481 -3.174 -2.905 155 HB2 ASN 21 1HB ASN 21 -4.580 -2.481 -5.182 156 HB3 ASN 21 2HB ASN 21 -5.217 -1.145 -4.238 157 HD21 ASN 21 2HD2 ASN 21 -4.609 0.313 -6.054 158 HD22 ASN 21 1HD2 ASN 21 -2.991 0.788 -6.254 159 H ASP 22 H ASP 22 -1.523 -1.254 -2.915 160 HA ASP 22 HA ASP 22 0.089 -3.080 -4.414 161 HB2 ASP 22 1HB ASP 22 0.830 -1.121 -2.222 162 HB3 ASP 22 2HB ASP 22 2.003 -1.971 -3.230 163 H LEU 23 H LEU 23 -0.534 -2.807 -0.914 164 HA LEU 23 HA LEU 23 1.185 -4.978 -0.153 165 HB2 LEU 23 1HB LEU 23 0.246 -3.244 1.412 166 HB3 LEU 23 2HB LEU 23 -1.328 -4.026 1.255 167 HG LEU 23 HG LEU 23 0.012 -6.196 1.901 168 HD11 LEU 23 1HD1 LEU 23 2.123 -4.506 1.866 169 HD12 LEU 23 2HD1 LEU 23 2.060 -5.935 2.897 170 HD13 LEU 23 3HD1 LEU 23 1.650 -4.352 3.559 171 HD21 LEU 23 3HD2 LEU 23 -1.106 -3.995 3.565 172 HD22 LEU 23 1HD2 LEU 23 -0.185 -5.234 4.415 173 HD23 LEU 23 2HD2 LEU 23 -1.598 -5.686 3.460 174 H GLN 24 H GLN 24 -2.263 -4.813 -1.015 175 HA GLN 24 HA GLN 24 -2.931 -7.512 -0.390 176 HB2 GLN 24 1HB GLN 24 -4.542 -5.653 -1.010 177 HB3 GLN 24 2HB GLN 24 -4.053 -5.887 -2.688 178 HG2 GLN 24 1HG GLN 24 -4.775 -8.238 -2.583 179 HG3 GLN 24 2HG GLN 24 -5.253 -8.021 -0.898 180 HE21 GLN 24 2HE2 GLN 24 -6.446 -7.918 -4.063 181 HE22 GLN 24 1HE2 GLN 24 -7.838 -6.990 -3.776 182 H GLN 25 H GLN 25 -1.785 -6.063 -3.449 183 HA GLN 25 HA GLN 25 -1.696 -8.557 -4.877 184 HB2 GLN 25 1HB GLN 25 -0.161 -5.972 -5.304 185 HB3 GLN 25 2HB GLN 25 -0.187 -7.317 -6.445 186 HG2 GLN 25 1HG GLN 25 -2.631 -7.106 -6.661 187 HG3 GLN 25 2HG GLN 25 -2.628 -5.786 -5.492 188 HE21 GLN 25 2HE2 GLN 25 -3.506 -5.546 -8.287 189 HE22 GLN 25 1HE2 GLN 25 -2.464 -4.434 -9.035 190 H TYR 26 H TYR 26 0.557 -6.863 -2.775 191 HA TYR 26 HA TYR 26 2.893 -8.403 -3.359 192 HB2 TYR 26 1HB TYR 26 3.259 -6.414 -2.147 193 HB3 TYR 26 2HB TYR 26 1.979 -6.782 -0.995 194 HD1 TYR 26 HD1 TYR 26 4.398 -9.308 -2.102 195 HD2 TYR 26 HD2 TYR 26 3.390 -6.513 0.982 196 HE1 TYR 26 HE1 TYR 26 6.057 -10.376 -0.604 197 HE2 TYR 26 HE2 TYR 26 5.047 -7.574 2.490 198 HH TYR 26 HH TYR 26 7.198 -10.139 1.339 199 H LEU 27 H LEU 27 0.611 -8.724 -0.608 200 HA LEU 27 HA LEU 27 1.761 -11.282 0.161 201 HB2 LEU 27 1HB LEU 27 -0.765 -9.862 1.037 202 HB3 LEU 27 2HB LEU 27 -0.142 -11.340 1.776 203 HG LEU 27 HG LEU 27 1.442 -8.765 1.539 204 HD11 LEU 27 1HD1 LEU 27 0.352 -9.858 4.118 205 HD12 LEU 27 2HD1 LEU 27 -0.688 -8.871 3.092 206 HD13 LEU 27 3HD1 LEU 27 0.819 -8.204 3.720 207 HD21 LEU 27 3HD2 LEU 27 2.420 -10.357 3.609 208 HD22 LEU 27 1HD2 LEU 27 3.142 -10.181 2.010 209 HD23 LEU 27 2HD2 LEU 27 2.034 -11.514 2.335 210 H ASN 28 H ASN 28 -1.162 -10.255 -1.588 211 HA ASN 28 HA ASN 28 -2.405 -12.813 -1.716 212 HB2 ASN 28 1HB ASN 28 -3.443 -10.596 -2.338 213 HB3 ASN 28 2HB ASN 28 -2.545 -10.677 -3.853 214 HD21 ASN 28 2HD2 ASN 28 -3.402 -11.983 -5.513 215 HD22 ASN 28 1HD2 ASN 28 -4.764 -12.978 -5.329 216 H VAL 29 H VAL 29 -0.062 -11.289 -3.953 217 HA VAL 29 HA VAL 29 -0.094 -13.515 -5.795 218 HB VAL 29 HB VAL 29 1.823 -12.436 -6.814 219 HG11 VAL 29 1HG1 VAL 29 -0.027 -11.239 -7.512 220 HG12 VAL 29 2HG1 VAL 29 0.871 -9.954 -6.702 221 HG13 VAL 29 3HG1 VAL 29 -0.462 -10.759 -5.872 222 HG21 VAL 29 3HG2 VAL 29 2.060 -11.262 -4.100 223 HG22 VAL 29 1HG2 VAL 29 2.483 -10.206 -5.447 224 HG23 VAL 29 2HG2 VAL 29 3.325 -11.741 -5.231 225 H VAL 30 H VAL 30 1.696 -12.689 -2.900 226 HA VAL 30 HA VAL 30 3.242 -13.922 -1.638 227 HB VAL 30 HB VAL 30 1.807 -16.134 -3.128 228 HG11 VAL 30 1HG1 VAL 30 2.738 -17.393 -0.967 229 HG12 VAL 30 2HG1 VAL 30 4.014 -16.182 -1.105 230 HG13 VAL 30 3HG1 VAL 30 3.699 -17.288 -2.443 231 HG21 VAL 30 3HG2 VAL 30 1.513 -14.842 -0.410 232 HG22 VAL 30 1HG2 VAL 30 0.796 -16.407 -0.791 233 HG23 VAL 30 2HG2 VAL 30 0.304 -14.971 -1.687
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