NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14896 | 1x5v | 6636 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 1.620 3.682 -12.354 2 2H ALA 1 HT2 ALA 1 -0.061 3.864 -12.153 3 3H ALA 1 HT3 ALA 1 0.545 3.020 -13.481 4 HA ALA 1 HA ALA 1 -0.325 1.479 -11.887 5 1HB ALA 1 HB1 ALA 1 2.701 1.391 -12.052 6 2HB ALA 1 HB2 ALA 1 1.568 0.822 -13.273 7 3HB ALA 1 HB3 ALA 1 1.631 0.018 -11.708 8 H CYS 2 HN CYS 2 -1.067 2.925 -10.242 9 HA CYS 2 HA CYS 2 0.617 3.338 -7.921 10 1HB CYS 2 HB2 CYS 2 -1.415 4.242 -6.895 11 2HB CYS 2 HB1 CYS 2 -1.093 4.961 -8.422 12 H GLY 3 HN GLY 3 0.798 2.091 -6.236 13 1HA GLY 3 HA2 GLY 3 0.290 -0.540 -6.129 14 2HA GLY 3 HA1 GLY 3 0.482 0.451 -4.708 15 H ILE 4 HN ILE 4 -1.381 -1.780 -5.814 16 HA ILE 4 HA ILE 4 -3.971 -0.633 -5.051 17 HB ILE 4 HB ILE 4 -4.998 -2.496 -6.318 18 1HG1 ILE 4 HG12 ILE 4 -2.178 -3.017 -7.267 19 2HG1 ILE 4 HG11 ILE 4 -3.040 -4.093 -6.160 20 1HG2 ILE 4 HG21 ILE 4 -3.127 -0.869 -8.023 21 2HG2 ILE 4 HG22 ILE 4 -4.611 -0.251 -7.291 22 3HG2 ILE 4 HG23 ILE 4 -4.692 -1.562 -8.455 23 1HD1 ILE 4 HD11 ILE 4 -3.693 -3.465 -9.026 24 2HD1 ILE 4 HD12 ILE 4 -4.719 -4.433 -7.953 25 3HD1 ILE 4 HD13 ILE 4 -3.087 -4.969 -8.340 26 H LEU 5 HN LEU 5 -5.488 -2.332 -4.391 27 HA LEU 5 HA LEU 5 -5.046 -2.804 -1.763 28 1HB LEU 5 HB2 LEU 5 -7.125 -4.026 -1.720 29 2HB LEU 5 HB1 LEU 5 -7.235 -2.648 -2.800 30 HG LEU 5 HG LEU 5 -6.766 -5.448 -3.834 31 1HD1 LEU 5 HD11 LEU 5 -8.853 -5.421 -2.578 32 2HD1 LEU 5 HD12 LEU 5 -9.101 -5.581 -4.312 33 3HD1 LEU 5 HD13 LEU 5 -9.397 -4.028 -3.532 34 1HD2 LEU 5 HD21 LEU 5 -7.838 -4.359 -5.872 35 2HD2 LEU 5 HD22 LEU 5 -6.186 -3.928 -5.506 36 3HD2 LEU 5 HD23 LEU 5 -7.496 -2.808 -5.104 37 H HIS 6 HN HIS 6 -3.977 -4.820 -4.313 38 HA HIS 6 HA HIS 6 -2.825 -6.647 -2.309 39 1HB HIS 6 HB2 HIS 6 -3.454 -8.615 -3.678 40 2HB HIS 6 HB1 HIS 6 -4.851 -7.763 -3.046 41 HD1 HIS 6 HD1 HIS 6 -2.959 -8.196 -6.313 42 HD2 HIS 6 HD2 HIS 6 -6.699 -7.086 -4.906 43 HE1 HIS 6 HE1 HIS 6 -4.398 -7.918 -8.346 44 HE2 HIS 6 HE2 HIS 6 -6.666 -7.282 -7.465 45 H ASP 7 HN ASP 7 -1.639 -4.535 -3.540 46 HA ASP 7 HA ASP 7 0.191 -5.901 -5.452 47 1HB ASP 7 HB2 ASP 7 -0.893 -3.743 -6.125 48 2HB ASP 7 HB1 ASP 7 0.055 -2.900 -4.938 49 H ASN 8 HN ASN 8 1.940 -6.581 -4.700 50 HA ASN 8 HA ASN 8 2.738 -6.503 -2.067 51 1HB ASN 8 HB2 ASN 8 4.867 -7.458 -2.777 52 2HB ASN 8 HB1 ASN 8 3.528 -8.159 -3.673 53 1HD2 ASN 8 HD21 ASN 8 3.278 -7.697 -5.888 54 2HD2 ASN 8 HD22 ASN 8 4.568 -6.988 -6.787 55 H CYS 9 HN CYS 9 3.832 -5.173 -0.826 56 HA CYS 9 HA CYS 9 5.477 -3.025 -1.782 57 1HB CYS 9 HB2 CYS 9 3.160 -2.184 -2.267 58 2HB CYS 9 HB1 CYS 9 2.777 -2.302 -0.556 59 H VAL 10 HN VAL 10 6.154 -1.617 -0.073 60 HA VAL 10 HA VAL 10 6.105 -2.889 2.621 61 HB VAL 10 HB VAL 10 8.340 -1.837 2.964 62 1HG1 VAL 10 HG11 VAL 10 8.170 -4.190 2.303 63 2HG1 VAL 10 HG12 VAL 10 9.609 -3.412 1.655 64 3HG1 VAL 10 HG13 VAL 10 8.233 -3.716 0.596 65 1HG2 VAL 10 HG21 VAL 10 9.592 -1.096 0.965 66 2HG2 VAL 10 HG22 VAL 10 8.277 -0.017 1.358 67 3HG2 VAL 10 HG23 VAL 10 8.121 -1.152 0.011 68 H TYR 11 HN TYR 11 6.279 -1.524 4.374 69 HA TYR 11 HA TYR 11 4.343 0.617 4.152 70 1HB TYR 11 HB2 TYR 11 4.334 -0.912 6.043 71 2HB TYR 11 HB1 TYR 11 5.935 -0.389 6.519 72 HD1 TYR 11 HD1 TYR 11 6.163 1.379 8.073 73 HD2 TYR 11 HD2 TYR 11 2.475 0.930 5.971 74 HE1 TYR 11 HE1 TYR 11 5.149 3.134 9.445 75 HE2 TYR 11 HE2 TYR 11 1.463 2.655 7.351 76 HH TYR 11 HH TYR 11 2.048 3.605 9.876 77 H VAL 12 HN VAL 12 5.593 1.848 2.655 78 HA VAL 12 HA VAL 12 7.257 3.839 4.117 79 HB VAL 12 HB VAL 12 8.440 4.306 1.957 80 1HG1 VAL 12 HG11 VAL 12 9.510 3.048 3.768 81 2HG1 VAL 12 HG12 VAL 12 10.024 2.504 2.175 82 3HG1 VAL 12 HG13 VAL 12 8.872 1.537 3.095 83 1HG2 VAL 12 HG21 VAL 12 7.012 3.293 0.307 84 2HG2 VAL 12 HG22 VAL 12 7.104 1.728 1.099 85 3HG2 VAL 12 HG23 VAL 12 8.520 2.405 0.327 86 HA PRO 13 HA PRO 13 3.318 5.649 2.589 87 1HB PRO 13 HB2 PRO 13 3.653 7.297 5.032 88 2HB PRO 13 HB1 PRO 13 2.304 6.289 4.499 89 1HG PRO 13 HG2 PRO 13 3.893 5.599 6.544 90 2HG PRO 13 HG1 PRO 13 3.163 4.388 5.472 91 1HD PRO 13 HD2 PRO 13 5.966 5.476 5.501 92 2HD PRO 13 HD1 PRO 13 5.356 3.833 5.301 93 H ALA 14 HN ALA 14 6.265 7.048 3.820 94 HA ALA 14 HA ALA 14 5.992 9.713 3.242 95 1HB ALA 14 HB1 ALA 14 8.434 9.800 3.198 96 2HB ALA 14 HB2 ALA 14 8.507 8.038 2.999 97 3HB ALA 14 HB3 ALA 14 7.848 8.737 4.473 98 H GLN 15 HN GLN 15 6.813 7.048 1.149 99 HA GLN 15 HA GLN 15 6.300 8.791 -1.187 100 1HB GLN 15 HB2 GLN 15 8.769 8.307 -0.834 101 2HB GLN 15 HB1 GLN 15 8.425 6.596 -1.014 102 1HG GLN 15 HG2 GLN 15 9.292 7.570 -3.056 103 2HG GLN 15 HG1 GLN 15 7.674 6.946 -3.317 104 1HE2 GLN 15 HE21 GLN 15 7.321 8.263 -5.118 105 2HE2 GLN 15 HE22 GLN 15 7.111 9.970 -4.960 106 H ASN 16 HN ASN 16 4.311 7.723 -0.183 107 HA ASN 16 HA ASN 16 3.650 5.064 -0.615 108 1HB ASN 16 HB2 ASN 16 2.256 6.652 0.629 109 2HB ASN 16 HB1 ASN 16 1.800 7.470 -0.859 110 1HD2 ASN 16 HD21 ASN 16 1.176 4.832 1.254 111 2HD2 ASN 16 HD22 ASN 16 -0.083 4.123 0.309 112 HA PRO 17 HA PRO 17 3.686 5.129 -5.135 113 1HB PRO 17 HB2 PRO 17 3.997 2.507 -5.456 114 2HB PRO 17 HB1 PRO 17 5.274 3.478 -4.715 115 1HG PRO 17 HG2 PRO 17 3.217 1.758 -3.346 116 2HG PRO 17 HG1 PRO 17 4.970 1.845 -3.089 117 1HD PRO 17 HD2 PRO 17 3.127 3.181 -1.566 118 2HD PRO 17 HD1 PRO 17 4.831 3.665 -1.761 119 H CYS 18 HN CYS 18 1.370 4.200 -2.971 120 HA CYS 18 HA CYS 18 -0.286 2.616 -4.679 121 1HB CYS 18 HB2 CYS 18 -0.614 3.509 -1.839 122 2HB CYS 18 HB1 CYS 18 -1.740 2.505 -2.711 123 H CYS 19 HN CYS 19 -2.517 2.980 -4.773 124 HA CYS 19 HA CYS 19 -3.159 5.616 -5.787 125 1HB CYS 19 HB2 CYS 19 -5.234 3.525 -5.109 126 2HB CYS 19 HB1 CYS 19 -5.178 4.682 -6.440 127 H ARG 20 HN ARG 20 -4.055 7.224 -4.749 128 HA ARG 20 HA ARG 20 -3.804 7.432 -1.999 129 1HB ARG 20 HB2 ARG 20 -3.830 9.384 -3.424 130 2HB ARG 20 HB1 ARG 20 -5.494 9.096 -3.903 131 1HG ARG 20 HG2 ARG 20 -5.091 10.914 -2.202 132 2HG ARG 20 HG1 ARG 20 -6.331 9.740 -1.786 133 1HD ARG 20 HD2 ARG 20 -4.893 10.338 0.082 134 2HD ARG 20 HD1 ARG 20 -4.788 8.620 -0.240 135 HE ARG 20 HE ARG 20 -2.704 10.038 -1.613 136 1HH1 ARG 20 HH11 ARG 20 -3.668 9.059 1.623 137 2HH1 ARG 20 HH12 ARG 20 -2.046 9.019 2.192 138 1HH2 ARG 20 HH21 ARG 20 -0.598 9.975 -0.839 139 2HH2 ARG 20 HH22 ARG 20 -0.293 9.537 0.809 140 H GLY 21 HN GLY 21 -4.782 6.434 -0.523 141 1HA GLY 21 HA2 GLY 21 -7.011 6.193 0.592 142 2HA GLY 21 HA1 GLY 21 -7.590 5.477 -0.908 143 H LEU 22 HN LEU 22 -4.711 4.394 -1.134 144 HA LEU 22 HA LEU 22 -5.121 1.986 0.571 145 1HB LEU 22 HB2 LEU 22 -3.401 2.165 -1.895 146 2HB LEU 22 HB1 LEU 22 -4.033 0.736 -1.098 147 HG LEU 22 HG LEU 22 -5.654 2.750 -2.676 148 1HD1 LEU 22 HD11 LEU 22 -4.228 1.403 -4.105 149 2HD1 LEU 22 HD12 LEU 22 -5.912 0.957 -4.283 150 3HD1 LEU 22 HD13 LEU 22 -4.842 -0.057 -3.330 151 1HD2 LEU 22 HD21 LEU 22 -6.873 1.579 -0.741 152 2HD2 LEU 22 HD22 LEU 22 -6.568 0.089 -1.638 153 3HD2 LEU 22 HD23 LEU 22 -7.507 1.372 -2.360 154 H GLN 23 HN GLN 23 -3.403 1.135 1.643 155 HA GLN 23 HA GLN 23 -0.989 2.845 1.886 156 1HB GLN 23 HB2 GLN 23 -2.461 3.564 3.630 157 2HB GLN 23 HB1 GLN 23 -2.784 1.908 4.148 158 1HG GLN 23 HG2 GLN 23 -0.550 1.650 4.993 159 2HG GLN 23 HG1 GLN 23 -0.022 3.165 4.243 160 1HE2 GLN 23 HE21 GLN 23 -1.884 1.710 6.836 161 2HE2 GLN 23 HE22 GLN 23 -1.968 3.151 7.785 162 H CYS 24 HN CYS 24 0.771 1.847 1.911 163 HA CYS 24 HA CYS 24 0.933 -0.939 1.439 164 1HB CYS 24 HB2 CYS 24 3.055 1.115 1.969 165 2HB CYS 24 HB1 CYS 24 3.371 -0.582 1.608 166 H ARG 25 HN ARG 25 0.837 -2.486 2.738 167 HA ARG 25 HA ARG 25 2.036 -2.267 5.444 168 1HB ARG 25 HB2 ARG 25 -0.193 -3.123 5.582 169 2HB ARG 25 HB1 ARG 25 0.042 -4.150 4.186 170 1HG ARG 25 HG2 ARG 25 -0.016 -5.457 6.185 171 2HG ARG 25 HG1 ARG 25 1.563 -5.613 5.444 172 1HD ARG 25 HD2 ARG 25 2.125 -3.594 7.142 173 2HD ARG 25 HD1 ARG 25 0.701 -4.254 7.942 174 HE ARG 25 HE ARG 25 2.413 -6.392 7.349 175 1HH1 ARG 25 HH11 ARG 25 2.255 -3.593 9.481 176 2HH1 ARG 25 HH12 ARG 25 3.376 -4.267 10.598 177 1HH2 ARG 25 HH21 ARG 25 3.879 -7.237 8.832 178 2HH2 ARG 25 HH22 ARG 25 4.301 -6.331 10.246 179 H TYR 26 HN TYR 26 3.650 -3.632 6.007 180 HA TYR 26 HA TYR 26 5.556 -4.344 4.173 181 1HB TYR 26 HB2 TYR 26 5.025 -5.312 6.970 182 2HB TYR 26 HB1 TYR 26 6.379 -5.960 6.055 183 HD1 TYR 26 HD1 TYR 26 7.854 -4.034 4.833 184 HD2 TYR 26 HD2 TYR 26 5.505 -3.534 8.377 185 HE1 TYR 26 HE1 TYR 26 9.233 -2.126 5.483 186 HE2 TYR 26 HE2 TYR 26 6.883 -1.606 9.007 187 HH TYR 26 HH TYR 26 9.512 -0.953 8.368 188 H GLY 27 HN GLY 27 4.810 -5.320 2.465 189 1HA GLY 27 HA2 GLY 27 4.982 -7.757 1.739 190 2HA GLY 27 HA1 GLY 27 3.533 -7.997 2.709 191 H LYS 28 HN LYS 28 2.076 -5.778 2.205 192 HA LYS 28 HA LYS 28 1.730 -5.457 -0.671 193 1HB LYS 28 HB2 LYS 28 -0.487 -6.420 -0.775 194 2HB LYS 28 HB1 LYS 28 0.668 -7.634 -0.220 195 1HG LYS 28 HG2 LYS 28 -0.040 -7.374 2.075 196 2HG LYS 28 HG1 LYS 28 -1.146 -6.054 1.637 197 1HD LYS 28 HD2 LYS 28 -2.420 -7.618 0.206 198 2HD LYS 28 HD1 LYS 28 -1.349 -8.934 0.723 199 1HE LYS 28 HE2 LYS 28 -2.063 -8.598 3.045 200 2HE LYS 28 HE1 LYS 28 -3.105 -7.287 2.521 201 1HZ LYS 28 HZ1 LYS 28 -4.325 -9.293 2.814 202 2HZ LYS 28 HZ2 LYS 28 -3.379 -10.104 1.677 203 3HZ LYS 28 HZ3 LYS 28 -4.385 -8.817 1.194 204 H CYS 29 HN CYS 29 0.249 -3.975 -1.256 205 HA CYS 29 HA CYS 29 -0.134 -1.840 0.636 206 1HB CYS 29 HB2 CYS 29 0.525 -1.441 -1.702 207 2HB CYS 29 HB1 CYS 29 -1.028 -2.023 -2.233 208 H LEU 30 HN LEU 30 -1.673 -1.863 2.001 209 HA LEU 30 HA LEU 30 -4.019 -3.533 1.605 210 1HB LEU 30 HB2 LEU 30 -3.145 -1.728 3.881 211 2HB LEU 30 HB1 LEU 30 -4.633 -2.678 3.902 212 HG LEU 30 HG LEU 30 -1.838 -3.778 3.781 213 1HD1 LEU 30 HD11 LEU 30 -2.428 -2.816 5.973 214 2HD1 LEU 30 HD12 LEU 30 -2.293 -4.569 6.031 215 3HD1 LEU 30 HD13 LEU 30 -3.889 -3.822 6.004 216 1HD2 LEU 30 HD21 LEU 30 -4.516 -5.163 3.801 217 2HD2 LEU 30 HD22 LEU 30 -2.989 -5.949 4.195 218 3HD2 LEU 30 HD23 LEU 30 -3.231 -5.289 2.587 219 H VAL 31 HN VAL 31 -5.898 -2.975 1.085 220 HA VAL 31 HA VAL 31 -6.582 -0.289 0.337 221 HB VAL 31 HB VAL 31 -7.565 -2.110 -0.865 222 1HG1 VAL 31 HG11 VAL 31 -9.108 -2.935 1.578 223 2HG1 VAL 31 HG12 VAL 31 -7.643 -3.757 1.046 224 3HG1 VAL 31 HG13 VAL 31 -9.054 -3.712 0.012 225 1HG2 VAL 31 HG21 VAL 31 -9.783 -0.802 0.646 226 2HG2 VAL 31 HG22 VAL 31 -9.797 -1.404 -0.992 227 3HG2 VAL 31 HG23 VAL 31 -8.846 0.015 -0.599 228 H GLN 32 HN GLN 32 -6.756 1.174 1.782 229 HA GLN 32 HA GLN 32 -7.275 0.518 4.551 230 1HB GLN 32 HB2 GLN 32 -5.675 2.278 3.751 231 2HB GLN 32 HB1 GLN 32 -7.051 3.272 3.279 232 1HG GLN 32 HG2 GLN 32 -7.829 3.309 5.629 233 2HG GLN 32 HG1 GLN 32 -6.443 2.309 6.087 234 1HE2 GLN 32 HE21 GLN 32 -5.620 3.840 7.505 235 2HE2 GLN 32 HE22 GLN 32 -4.933 5.318 6.933 236 H VAL 33 HN VAL 33 -9.314 -0.473 3.808 237 HA VAL 33 HA VAL 33 -11.510 1.462 4.266 238 HB VAL 33 HB VAL 33 -13.038 -0.012 3.019 239 1HG1 VAL 33 HG11 VAL 33 -12.271 0.509 0.754 240 2HG1 VAL 33 HG12 VAL 33 -10.690 0.966 1.385 241 3HG1 VAL 33 HG13 VAL 33 -12.132 1.883 1.845 242 1HG2 VAL 33 HG21 VAL 33 -11.942 -1.693 1.438 243 2HG2 VAL 33 HG22 VAL 33 -12.092 -2.165 3.117 244 3HG2 VAL 33 HG23 VAL 33 -10.536 -1.625 2.489 245 1HG HSL 34 HG1 HSL 34 -13.593 0.801 9.890 246 2HG HSL 34 HG2 HSL 34 -13.193 -0.906 10.172 247 H HSL 34 HN HSL 34 -13.075 0.828 5.562 248 HA HSL 34 HA HSL 34 -12.812 -1.860 7.073 249 1HB HSL 34 HB1 HSL 34 -11.634 -0.646 8.582 250 2HB HSL 34 HB2 HSL 34 -12.329 0.887 8.045 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 -0.258 5.413 -13.198 2 2H ALA 1 HT2 ALA 1 0.659 5.992 -11.902 3 3H ALA 1 HT3 ALA 1 -0.901 5.368 -11.640 4 HA ALA 1 HA ALA 1 -0.192 3.175 -12.357 5 1HB ALA 1 HB1 ALA 1 2.557 4.434 -12.608 6 2HB ALA 1 HB2 ALA 1 1.511 3.930 -13.931 7 3HB ALA 1 HB3 ALA 1 2.168 2.718 -12.837 8 H CYS 2 HN CYS 2 -1.073 3.833 -10.190 9 HA CYS 2 HA CYS 2 0.902 3.735 -7.987 10 1HB CYS 2 HB2 CYS 2 -1.134 4.020 -6.588 11 2HB CYS 2 HB1 CYS 2 -0.817 5.336 -7.656 12 H GLY 3 HN GLY 3 0.836 2.179 -6.413 13 1HA GLY 3 HA2 GLY 3 0.358 -0.491 -7.176 14 2HA GLY 3 HA1 GLY 3 0.688 0.090 -5.549 15 H ILE 4 HN ILE 4 -1.152 -1.980 -6.326 16 HA ILE 4 HA ILE 4 -3.790 -0.726 -5.708 17 HB ILE 4 HB ILE 4 -4.832 -2.767 -6.675 18 1HG1 ILE 4 HG12 ILE 4 -2.019 -3.414 -7.607 19 2HG1 ILE 4 HG11 ILE 4 -2.898 -4.322 -6.365 20 1HG2 ILE 4 HG21 ILE 4 -3.009 -1.316 -8.613 21 2HG2 ILE 4 HG22 ILE 4 -4.544 -0.704 -7.979 22 3HG2 ILE 4 HG23 ILE 4 -4.529 -2.149 -8.972 23 1HD1 ILE 4 HD11 ILE 4 -4.597 -4.882 -8.074 24 2HD1 ILE 4 HD12 ILE 4 -2.979 -5.497 -8.394 25 3HD1 ILE 4 HD13 ILE 4 -3.567 -4.098 -9.283 26 H LEU 5 HN LEU 5 -5.264 -2.192 -4.724 27 HA LEU 5 HA LEU 5 -4.459 -2.419 -2.030 28 1HB LEU 5 HB2 LEU 5 -6.788 -3.107 -1.630 29 2HB LEU 5 HB1 LEU 5 -6.627 -1.634 -2.551 30 HG LEU 5 HG LEU 5 -6.898 -4.060 -4.237 31 1HD1 LEU 5 HD11 LEU 5 -8.386 -4.661 -2.371 32 2HD1 LEU 5 HD12 LEU 5 -9.231 -4.336 -3.879 33 3HD1 LEU 5 HD13 LEU 5 -9.245 -3.127 -2.598 34 1HD2 LEU 5 HD21 LEU 5 -8.323 -1.406 -4.212 35 2HD2 LEU 5 HD22 LEU 5 -8.377 -2.639 -5.467 36 3HD2 LEU 5 HD23 LEU 5 -6.883 -1.781 -5.162 37 H HIS 6 HN HIS 6 -3.732 -4.574 -4.299 38 HA HIS 6 HA HIS 6 -3.175 -6.534 -2.258 39 1HB HIS 6 HB2 HIS 6 -4.165 -8.423 -3.586 40 2HB HIS 6 HB1 HIS 6 -5.343 -7.334 -2.882 41 HD1 HIS 6 HD1 HIS 6 -4.042 -8.525 -6.169 42 HD2 HIS 6 HD2 HIS 6 -6.928 -5.947 -4.691 43 HE1 HIS 6 HE1 HIS 6 -5.519 -7.973 -8.116 44 HE2 HIS 6 HE2 HIS 6 -7.153 -6.269 -7.244 45 H ASP 7 HN ASP 7 -1.651 -4.750 -3.602 46 HA ASP 7 HA ASP 7 0.050 -6.602 -5.214 47 1HB ASP 7 HB2 ASP 7 -0.860 -4.734 -6.524 48 2HB ASP 7 HB1 ASP 7 -0.098 -3.555 -5.478 49 H ASN 8 HN ASN 8 2.063 -6.798 -4.676 50 HA ASN 8 HA ASN 8 2.847 -6.436 -2.043 51 1HB ASN 8 HB2 ASN 8 5.039 -7.183 -2.652 52 2HB ASN 8 HB1 ASN 8 3.837 -8.081 -3.567 53 1HD2 ASN 8 HD21 ASN 8 6.729 -7.429 -4.081 54 2HD2 ASN 8 HD22 ASN 8 6.708 -6.752 -5.670 55 H CYS 9 HN CYS 9 4.064 -5.005 -0.977 56 HA CYS 9 HA CYS 9 5.151 -2.657 -2.156 57 1HB CYS 9 HB2 CYS 9 2.650 -2.207 -2.236 58 2HB CYS 9 HB1 CYS 9 2.632 -2.238 -0.480 59 H VAL 10 HN VAL 10 6.413 -1.587 -0.835 60 HA VAL 10 HA VAL 10 7.110 -2.875 1.695 61 HB VAL 10 HB VAL 10 8.319 -0.410 0.374 62 1HG1 VAL 10 HG11 VAL 10 9.220 -2.155 2.687 63 2HG1 VAL 10 HG12 VAL 10 8.921 -0.409 2.688 64 3HG1 VAL 10 HG13 VAL 10 10.284 -1.065 1.805 65 1HG2 VAL 10 HG21 VAL 10 10.062 -1.884 -0.420 66 2HG2 VAL 10 HG22 VAL 10 8.507 -2.380 -1.079 67 3HG2 VAL 10 HG23 VAL 10 9.242 -3.292 0.252 68 H TYR 11 HN TYR 11 7.106 -1.896 3.644 69 HA TYR 11 HA TYR 11 4.813 -0.211 4.167 70 1HB TYR 11 HB2 TYR 11 5.588 -1.996 5.636 71 2HB TYR 11 HB1 TYR 11 7.003 -1.124 6.092 72 HD1 TYR 11 HD1 TYR 11 6.785 0.795 7.626 73 HD2 TYR 11 HD2 TYR 11 3.341 -1.400 6.405 74 HE1 TYR 11 HE1 TYR 11 5.478 1.840 9.404 75 HE2 TYR 11 HE2 TYR 11 2.036 -0.363 8.185 76 HH TYR 11 HH TYR 11 2.795 0.737 10.618 77 H VAL 12 HN VAL 12 5.633 1.421 2.692 78 HA VAL 12 HA VAL 12 7.174 3.457 4.187 79 HB VAL 12 HB VAL 12 8.703 2.609 2.541 80 1HG1 VAL 12 HG11 VAL 12 6.979 1.692 0.953 81 2HG1 VAL 12 HG12 VAL 12 8.311 2.552 0.220 82 3HG1 VAL 12 HG13 VAL 12 6.750 3.332 0.347 83 1HG2 VAL 12 HG21 VAL 12 8.497 5.111 3.025 84 2HG2 VAL 12 HG22 VAL 12 7.690 5.232 1.452 85 3HG2 VAL 12 HG23 VAL 12 9.332 4.625 1.557 86 HA PRO 13 HA PRO 13 2.947 4.890 3.078 87 1HB PRO 13 HB2 PRO 13 2.566 6.233 5.429 88 2HB PRO 13 HB1 PRO 13 2.272 4.507 5.218 89 1HG PRO 13 HG2 PRO 13 4.663 5.864 6.406 90 2HG PRO 13 HG1 PRO 13 3.756 4.453 6.983 91 1HD PRO 13 HD2 PRO 13 6.078 4.237 5.679 92 2HD PRO 13 HD1 PRO 13 4.794 3.012 5.534 93 H ALA 14 HN ALA 14 5.763 6.505 4.413 94 HA ALA 14 HA ALA 14 5.055 9.164 4.169 95 1HB ALA 14 HB1 ALA 14 7.082 8.382 5.261 96 2HB ALA 14 HB2 ALA 14 7.445 9.655 4.102 97 3HB ALA 14 HB3 ALA 14 7.798 7.959 3.710 98 H GLN 15 HN GLN 15 6.544 7.010 1.828 99 HA GLN 15 HA GLN 15 5.656 8.862 -0.343 100 1HB GLN 15 HB2 GLN 15 8.144 8.667 -0.064 101 2HB GLN 15 HB1 GLN 15 8.024 6.942 -0.421 102 1HG GLN 15 HG2 GLN 15 6.865 7.726 -2.643 103 2HG GLN 15 HG1 GLN 15 7.478 9.314 -2.203 104 1HE2 GLN 15 HE21 GLN 15 8.064 7.559 -4.484 105 2HE2 GLN 15 HE22 GLN 15 9.778 7.351 -4.431 106 H ASN 16 HN ASN 16 3.861 7.324 0.637 107 HA ASN 16 HA ASN 16 3.579 4.679 -0.089 108 1HB ASN 16 HB2 ASN 16 2.031 5.913 1.342 109 2HB ASN 16 HB1 ASN 16 1.418 6.821 -0.028 110 1HD2 ASN 16 HD21 ASN 16 -0.073 5.162 1.804 111 2HD2 ASN 16 HD22 ASN 16 -0.759 3.901 0.845 112 HA PRO 17 HA PRO 17 3.539 5.336 -4.562 113 1HB PRO 17 HB2 PRO 17 4.483 2.909 -5.203 114 2HB PRO 17 HB1 PRO 17 5.495 4.132 -4.435 115 1HG PRO 17 HG2 PRO 17 4.251 1.721 -3.249 116 2HG PRO 17 HG1 PRO 17 5.811 2.471 -2.893 117 1HD PRO 17 HD2 PRO 17 3.436 2.792 -1.420 118 2HD PRO 17 HD1 PRO 17 4.939 3.710 -1.265 119 H CYS 18 HN CYS 18 1.520 3.716 -2.584 120 HA CYS 18 HA CYS 18 0.061 2.211 -4.583 121 1HB CYS 18 HB2 CYS 18 0.441 1.404 -2.281 122 2HB CYS 18 HB1 CYS 18 -0.605 2.650 -1.656 123 H CYS 19 HN CYS 19 -2.188 2.556 -4.833 124 HA CYS 19 HA CYS 19 -2.833 5.188 -5.574 125 1HB CYS 19 HB2 CYS 19 -4.770 2.924 -5.008 126 2HB CYS 19 HB1 CYS 19 -5.081 4.360 -5.986 127 H ARG 20 HN ARG 20 -3.575 6.825 -4.620 128 HA ARG 20 HA ARG 20 -3.400 7.063 -1.865 129 1HB ARG 20 HB2 ARG 20 -3.246 8.940 -3.526 130 2HB ARG 20 HB1 ARG 20 -4.987 8.883 -3.734 131 1HG ARG 20 HG2 ARG 20 -4.392 10.656 -2.236 132 2HG ARG 20 HG1 ARG 20 -5.297 9.452 -1.331 133 1HD ARG 20 HD2 ARG 20 -3.015 8.517 -0.594 134 2HD ARG 20 HD1 ARG 20 -2.320 9.971 -1.337 135 HE ARG 20 HE ARG 20 -4.326 10.797 0.429 136 1HH1 ARG 20 HH11 ARG 20 -1.177 9.211 0.572 137 2HH1 ARG 20 HH12 ARG 20 -0.894 9.720 2.191 138 1HH2 ARG 20 HH21 ARG 20 -3.896 11.446 2.553 139 2HH2 ARG 20 HH22 ARG 20 -2.414 10.980 3.318 140 H GLY 21 HN GLY 21 -4.592 6.435 -0.326 141 1HA GLY 21 HA2 GLY 21 -6.822 6.388 0.686 142 2HA GLY 21 HA1 GLY 21 -7.466 5.755 -0.823 143 H LEU 22 HN LEU 22 -4.778 4.278 -1.011 144 HA LEU 22 HA LEU 22 -5.482 1.998 0.757 145 1HB LEU 22 HB2 LEU 22 -3.733 2.018 -1.688 146 2HB LEU 22 HB1 LEU 22 -4.367 0.610 -0.828 147 HG LEU 22 HG LEU 22 -5.978 2.583 -2.455 148 1HD1 LEU 22 HD11 LEU 22 -5.072 -0.219 -3.051 149 2HD1 LEU 22 HD12 LEU 22 -4.617 1.239 -3.902 150 3HD1 LEU 22 HD13 LEU 22 -6.276 0.662 -3.971 151 1HD2 LEU 22 HD21 LEU 22 -7.324 1.668 -0.632 152 2HD2 LEU 22 HD22 LEU 22 -6.775 0.036 -1.044 153 3HD2 LEU 22 HD23 LEU 22 -7.783 0.937 -2.164 154 H GLN 23 HN GLN 23 -3.883 0.980 1.866 155 HA GLN 23 HA GLN 23 -1.552 2.702 2.443 156 1HB GLN 23 HB2 GLN 23 -3.283 2.723 4.207 157 2HB GLN 23 HB1 GLN 23 -3.147 0.990 4.393 158 1HG GLN 23 HG2 GLN 23 -1.966 2.098 6.142 159 2HG GLN 23 HG1 GLN 23 -0.785 1.288 5.132 160 1HE2 GLN 23 HE21 GLN 23 -0.549 3.583 6.999 161 2HE2 GLN 23 HE22 GLN 23 0.126 4.853 6.042 162 H CYS 24 HN CYS 24 0.290 1.900 2.137 163 HA CYS 24 HA CYS 24 0.646 -0.849 1.367 164 1HB CYS 24 HB2 CYS 24 2.433 1.519 1.572 165 2HB CYS 24 HB1 CYS 24 3.129 -0.086 1.381 166 H ARG 25 HN ARG 25 0.388 -2.272 2.839 167 HA ARG 25 HA ARG 25 1.698 -2.059 5.447 168 1HB ARG 25 HB2 ARG 25 -0.395 -3.168 5.435 169 2HB ARG 25 HB1 ARG 25 0.055 -4.209 4.087 170 1HG ARG 25 HG2 ARG 25 1.798 -5.269 5.600 171 2HG ARG 25 HG1 ARG 25 1.142 -4.284 6.915 172 1HD ARG 25 HD2 ARG 25 -0.507 -6.213 5.270 173 2HD ARG 25 HD1 ARG 25 0.409 -6.647 6.714 174 HE ARG 25 HE ARG 25 -1.487 -4.421 6.996 175 1HH1 ARG 25 HH11 ARG 25 -0.898 -7.868 7.405 176 2HH1 ARG 25 HH12 ARG 25 -2.137 -8.031 8.578 177 1HH2 ARG 25 HH21 ARG 25 -3.106 -4.680 8.546 178 2HH2 ARG 25 HH22 ARG 25 -3.405 -6.242 9.232 179 H TYR 26 HN TYR 26 3.351 -3.330 6.104 180 HA TYR 26 HA TYR 26 5.504 -3.732 4.359 181 1HB TYR 26 HB2 TYR 26 5.691 -3.507 6.826 182 2HB TYR 26 HB1 TYR 26 4.969 -5.072 7.034 183 HD1 TYR 26 HD1 TYR 26 7.800 -3.540 5.072 184 HD2 TYR 26 HD2 TYR 26 6.451 -6.802 7.495 185 HE1 TYR 26 HE1 TYR 26 10.021 -4.559 4.952 186 HE2 TYR 26 HE2 TYR 26 8.676 -7.806 7.366 187 HH TYR 26 HH TYR 26 11.347 -6.316 6.640 188 H GLY 27 HN GLY 27 4.866 -4.783 2.606 189 1HA GLY 27 HA2 GLY 27 5.357 -7.217 1.952 190 2HA GLY 27 HA1 GLY 27 3.876 -7.579 2.834 191 H LYS 28 HN LYS 28 2.243 -5.538 2.196 192 HA LYS 28 HA LYS 28 2.132 -5.026 -0.632 193 1HB LYS 28 HB2 LYS 28 0.137 -6.278 -1.151 194 2HB LYS 28 HB1 LYS 28 1.406 -7.374 -0.618 195 1HG LYS 28 HG2 LYS 28 0.405 -7.640 1.533 196 2HG LYS 28 HG1 LYS 28 -0.803 -6.377 1.215 197 1HD LYS 28 HD2 LYS 28 -1.792 -7.716 -0.564 198 2HD LYS 28 HD1 LYS 28 -0.566 -8.976 -0.334 199 1HE LYS 28 HE2 LYS 28 -2.564 -8.112 1.755 200 2HE LYS 28 HE1 LYS 28 -2.719 -9.504 0.706 201 1HZ LYS 28 HZ1 LYS 28 -0.720 -9.063 2.848 202 2HZ LYS 28 HZ2 LYS 28 -0.534 -10.279 1.673 203 3HZ LYS 28 HZ3 LYS 28 -1.870 -10.286 2.701 204 H CYS 29 HN CYS 29 0.324 -3.865 -1.299 205 HA CYS 29 HA CYS 29 -0.495 -1.985 0.754 206 1HB CYS 29 HB2 CYS 29 0.157 -1.196 -1.475 207 2HB CYS 29 HB1 CYS 29 -1.171 -2.061 -2.183 208 H LEU 30 HN LEU 30 -2.395 -1.705 1.580 209 HA LEU 30 HA LEU 30 -4.598 -3.554 0.823 210 1HB LEU 30 HB2 LEU 30 -3.659 -2.781 3.613 211 2HB LEU 30 HB1 LEU 30 -5.140 -3.677 3.263 212 HG LEU 30 HG LEU 30 -2.317 -4.644 2.714 213 1HD1 LEU 30 HD11 LEU 30 -2.876 -4.574 5.105 214 2HD1 LEU 30 HD12 LEU 30 -2.745 -6.217 4.491 215 3HD1 LEU 30 HD13 LEU 30 -4.339 -5.524 4.787 216 1HD2 LEU 30 HD21 LEU 30 -3.725 -6.831 2.462 217 2HD2 LEU 30 HD22 LEU 30 -3.546 -5.740 1.104 218 3HD2 LEU 30 HD23 LEU 30 -5.038 -5.746 2.045 219 H VAL 31 HN VAL 31 -6.620 -2.891 1.687 220 HA VAL 31 HA VAL 31 -7.119 -0.114 1.003 221 HB VAL 31 HB VAL 31 -9.516 -0.668 1.381 222 1HG1 VAL 31 HG11 VAL 31 -8.185 -2.725 -0.343 223 2HG1 VAL 31 HG12 VAL 31 -8.404 -1.044 -0.822 224 3HG1 VAL 31 HG13 VAL 31 -9.790 -2.051 -0.499 225 1HG2 VAL 31 HG21 VAL 31 -8.448 -3.420 2.097 226 2HG2 VAL 31 HG22 VAL 31 -10.118 -3.038 1.729 227 3HG2 VAL 31 HG23 VAL 31 -9.371 -2.335 3.144 228 H GLN 32 HN GLN 32 -7.422 1.507 2.255 229 HA GLN 32 HA GLN 32 -7.310 1.248 5.152 230 1HB GLN 32 HB2 GLN 32 -7.838 3.574 3.302 231 2HB GLN 32 HB1 GLN 32 -7.850 3.733 5.063 232 1HG GLN 32 HG2 GLN 32 -5.504 2.968 5.138 233 2HG GLN 32 HG1 GLN 32 -5.486 2.880 3.369 234 1HE2 GLN 32 HE21 GLN 32 -7.128 5.303 2.996 235 2HE2 GLN 32 HE22 GLN 32 -6.089 6.586 3.437 236 H VAL 33 HN VAL 33 -8.889 0.514 6.219 237 HA VAL 33 HA VAL 33 -11.572 0.379 5.080 238 HB VAL 33 HB VAL 33 -10.654 -0.540 7.832 239 1HG1 VAL 33 HG11 VAL 33 -13.050 -0.419 7.715 240 2HG1 VAL 33 HG12 VAL 33 -12.585 -2.099 7.534 241 3HG1 VAL 33 HG13 VAL 33 -13.072 -1.178 6.115 242 1HG2 VAL 33 HG21 VAL 33 -10.387 -2.744 6.861 243 2HG2 VAL 33 HG22 VAL 33 -9.269 -1.611 6.114 244 3HG2 VAL 33 HG23 VAL 33 -10.729 -2.122 5.249 245 1HG HSL 34 HG1 HSL 34 -13.367 6.636 4.507 246 2HG HSL 34 HG2 HSL 34 -13.182 6.926 6.250 247 H HSL 34 HN HSL 34 -11.922 2.560 4.923 248 HA HSL 34 HA HSL 34 -12.424 3.892 7.191 249 1HB HSL 34 HB1 HSL 34 -11.833 5.007 4.521 250 2HB HSL 34 HB2 HSL 34 -11.380 5.598 6.124 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 3.152 1.913 -13.081 2 2H ALA 1 HT2 ALA 1 3.721 2.854 -11.797 3 3H ALA 1 HT3 ALA 1 2.082 2.925 -12.255 4 HA ALA 1 HA ALA 1 1.776 0.606 -11.646 5 1HB ALA 1 HB1 ALA 1 3.539 -0.620 -10.475 6 2HB ALA 1 HB2 ALA 1 4.641 0.757 -10.677 7 3HB ALA 1 HB3 ALA 1 4.051 -0.120 -12.083 8 H CYS 2 HN CYS 2 0.274 1.645 -10.493 9 HA CYS 2 HA CYS 2 1.008 2.953 -7.952 10 1HB CYS 2 HB2 CYS 2 -0.701 3.916 -9.493 11 2HB CYS 2 HB1 CYS 2 -1.753 2.548 -9.171 12 H GLY 3 HN GLY 3 0.617 2.133 -6.029 13 1HA GLY 3 HA2 GLY 3 0.494 -0.675 -5.702 14 2HA GLY 3 HA1 GLY 3 0.439 0.522 -4.446 15 H ILE 4 HN ILE 4 -1.222 -1.885 -5.769 16 HA ILE 4 HA ILE 4 -3.897 -0.802 -5.069 17 HB ILE 4 HB ILE 4 -4.813 -2.572 -6.606 18 1HG1 ILE 4 HG12 ILE 4 -1.918 -2.794 -7.508 19 2HG1 ILE 4 HG11 ILE 4 -2.806 -4.060 -6.656 20 1HG2 ILE 4 HG21 ILE 4 -3.024 -0.531 -7.946 21 2HG2 ILE 4 HG22 ILE 4 -4.614 -0.208 -7.239 22 3HG2 ILE 4 HG23 ILE 4 -4.476 -1.301 -8.603 23 1HD1 ILE 4 HD11 ILE 4 -4.387 -4.149 -8.566 24 2HD1 ILE 4 HD12 ILE 4 -2.723 -4.578 -8.945 25 3HD1 ILE 4 HD13 ILE 4 -3.341 -3.000 -9.416 26 H LEU 5 HN LEU 5 -5.450 -2.678 -4.680 27 HA LEU 5 HA LEU 5 -4.799 -3.236 -2.006 28 1HB LEU 5 HB2 LEU 5 -6.989 -4.142 -1.796 29 2HB LEU 5 HB1 LEU 5 -7.025 -2.754 -2.857 30 HG LEU 5 HG LEU 5 -6.837 -4.670 -4.754 31 1HD1 LEU 5 HD11 LEU 5 -6.813 -6.598 -3.358 32 2HD1 LEU 5 HD12 LEU 5 -8.414 -6.488 -4.045 33 3HD1 LEU 5 HD13 LEU 5 -8.152 -6.001 -2.374 34 1HD2 LEU 5 HD21 LEU 5 -9.410 -3.846 -3.391 35 2HD2 LEU 5 HD22 LEU 5 -9.218 -4.474 -5.027 36 3HD2 LEU 5 HD23 LEU 5 -8.540 -2.903 -4.616 37 H HIS 6 HN HIS 6 -4.339 -5.110 -4.858 38 HA HIS 6 HA HIS 6 -3.149 -7.215 -3.131 39 1HB HIS 6 HB2 HIS 6 -3.727 -8.866 -4.921 40 2HB HIS 6 HB1 HIS 6 -5.109 -8.188 -4.080 41 HD1 HIS 6 HD1 HIS 6 -3.298 -7.838 -7.406 42 HD2 HIS 6 HD2 HIS 6 -7.012 -7.124 -5.686 43 HE1 HIS 6 HE1 HIS 6 -4.806 -7.162 -9.295 44 HE2 HIS 6 HE2 HIS 6 -7.017 -6.633 -8.216 45 H ASP 7 HN ASP 7 -1.735 -5.146 -3.641 46 HA ASP 7 HA ASP 7 0.273 -6.286 -5.526 47 1HB ASP 7 HB2 ASP 7 -0.601 -4.264 -6.513 48 2HB ASP 7 HB1 ASP 7 -0.327 -3.342 -5.043 49 H ASN 8 HN ASN 8 2.177 -6.561 -4.797 50 HA ASN 8 HA ASN 8 2.630 -6.414 -1.958 51 1HB ASN 8 HB2 ASN 8 4.509 -7.168 -4.216 52 2HB ASN 8 HB1 ASN 8 4.861 -7.374 -2.492 53 1HD2 ASN 8 HD21 ASN 8 3.637 -8.910 -1.288 54 2HD2 ASN 8 HD22 ASN 8 2.857 -10.206 -2.123 55 H CYS 9 HN CYS 9 3.698 -4.975 -0.856 56 HA CYS 9 HA CYS 9 5.230 -2.861 -2.125 57 1HB CYS 9 HB2 CYS 9 2.858 -2.159 -2.299 58 2HB CYS 9 HB1 CYS 9 2.691 -2.242 -0.553 59 H VAL 10 HN VAL 10 6.703 -2.062 -0.920 60 HA VAL 10 HA VAL 10 7.002 -3.013 1.860 61 HB VAL 10 HB VAL 10 8.940 -3.197 0.360 62 1HG1 VAL 10 HG11 VAL 10 10.113 -1.326 -0.487 63 2HG1 VAL 10 HG12 VAL 10 9.061 -0.171 0.309 64 3HG1 VAL 10 HG13 VAL 10 8.455 -1.154 -1.031 65 1HG2 VAL 10 HG21 VAL 10 10.560 -2.379 1.862 66 2HG2 VAL 10 HG22 VAL 10 9.178 -2.839 2.846 67 3HG2 VAL 10 HG23 VAL 10 9.501 -1.131 2.499 68 H TYR 11 HN TYR 11 6.977 -1.749 3.569 69 HA TYR 11 HA TYR 11 5.157 0.447 3.427 70 1HB TYR 11 HB2 TYR 11 5.417 -1.208 5.308 71 2HB TYR 11 HB1 TYR 11 6.861 -0.345 5.800 72 HD1 TYR 11 HD1 TYR 11 6.675 2.026 6.648 73 HD2 TYR 11 HD2 TYR 11 3.242 -0.355 5.814 74 HE1 TYR 11 HE1 TYR 11 5.291 3.555 7.952 75 HE2 TYR 11 HE2 TYR 11 1.850 1.179 7.106 76 HH TYR 11 HH TYR 11 2.466 2.914 9.179 77 H VAL 12 HN VAL 12 6.158 1.841 2.028 78 HA VAL 12 HA VAL 12 7.971 3.714 3.448 79 HB VAL 12 HB VAL 12 8.781 4.500 1.224 80 1HG1 VAL 12 HG11 VAL 12 9.399 1.610 1.863 81 2HG1 VAL 12 HG12 VAL 12 10.138 3.027 2.631 82 3HG1 VAL 12 HG13 VAL 12 10.380 2.725 0.914 83 1HG2 VAL 12 HG21 VAL 12 7.169 3.746 -0.335 84 2HG2 VAL 12 HG22 VAL 12 7.246 2.088 0.236 85 3HG2 VAL 12 HG23 VAL 12 8.594 2.778 -0.635 86 HA PRO 13 HA PRO 13 4.063 5.858 3.017 87 1HB PRO 13 HB2 PRO 13 4.525 7.650 5.004 88 2HB PRO 13 HB1 PRO 13 4.072 5.970 5.284 89 1HG PRO 13 HG2 PRO 13 6.768 7.236 5.468 90 2HG PRO 13 HG1 PRO 13 6.014 6.013 6.502 91 1HD PRO 13 HD2 PRO 13 7.852 5.477 4.549 92 2HD PRO 13 HD1 PRO 13 6.671 4.300 5.185 93 H ALA 14 HN ALA 14 7.180 7.525 3.390 94 HA ALA 14 HA ALA 14 6.323 10.061 2.507 95 1HB ALA 14 HB1 ALA 14 8.697 10.585 2.317 96 2HB ALA 14 HB2 ALA 14 9.106 8.863 2.453 97 3HB ALA 14 HB3 ALA 14 8.349 9.704 3.801 98 H GLN 15 HN GLN 15 7.872 7.335 0.917 99 HA GLN 15 HA GLN 15 7.222 8.552 -1.733 100 1HB GLN 15 HB2 GLN 15 9.598 8.035 -1.300 101 2HB GLN 15 HB1 GLN 15 9.196 6.336 -1.038 102 1HG GLN 15 HG2 GLN 15 8.398 6.196 -3.400 103 2HG GLN 15 HG1 GLN 15 8.803 7.898 -3.618 104 1HE2 GLN 15 HE21 GLN 15 9.763 5.484 -5.002 105 2HE2 GLN 15 HE22 GLN 15 11.477 5.525 -4.793 106 H ASN 16 HN ASN 16 5.196 7.563 -0.254 107 HA ASN 16 HA ASN 16 4.542 4.863 -0.647 108 1HB ASN 16 HB2 ASN 16 3.327 6.010 0.977 109 2HB ASN 16 HB1 ASN 16 2.885 7.315 -0.111 110 1HD2 ASN 16 HD21 ASN 16 1.104 7.070 -1.433 111 2HD2 ASN 16 HD22 ASN 16 0.031 5.736 -1.260 112 HA PRO 17 HA PRO 17 3.715 5.301 -5.053 113 1HB PRO 17 HB2 PRO 17 4.394 2.784 -5.687 114 2HB PRO 17 HB1 PRO 17 5.600 3.979 -5.211 115 1HG PRO 17 HG2 PRO 17 4.519 1.698 -3.662 116 2HG PRO 17 HG1 PRO 17 6.128 2.434 -3.624 117 1HD PRO 17 HD2 PRO 17 3.961 2.901 -1.838 118 2HD PRO 17 HD1 PRO 17 5.549 3.690 -1.892 119 H CYS 18 HN CYS 18 2.007 4.162 -2.636 120 HA CYS 18 HA CYS 18 0.209 2.385 -4.017 121 1HB CYS 18 HB2 CYS 18 1.171 2.129 -1.641 122 2HB CYS 18 HB1 CYS 18 -0.050 3.280 -1.159 123 H CYS 19 HN CYS 19 -1.838 2.799 -4.445 124 HA CYS 19 HA CYS 19 -2.557 5.482 -5.075 125 1HB CYS 19 HB2 CYS 19 -4.442 3.121 -4.753 126 2HB CYS 19 HB1 CYS 19 -4.712 4.585 -5.703 127 H ARG 20 HN ARG 20 -3.330 7.004 -3.917 128 HA ARG 20 HA ARG 20 -3.468 6.893 -1.158 129 1HB ARG 20 HB2 ARG 20 -3.174 8.969 -2.486 130 2HB ARG 20 HB1 ARG 20 -4.854 8.897 -2.976 131 1HG ARG 20 HG2 ARG 20 -4.710 10.480 -1.251 132 2HG ARG 20 HG1 ARG 20 -5.509 9.099 -0.527 133 1HD ARG 20 HD2 ARG 20 -2.558 9.756 -0.288 134 2HD ARG 20 HD1 ARG 20 -3.776 10.163 0.902 135 HE ARG 20 HE ARG 20 -2.649 7.521 0.325 136 1HH1 ARG 20 HH11 ARG 20 -5.026 9.375 2.150 137 2HH1 ARG 20 HH12 ARG 20 -5.168 8.172 3.363 138 1HH2 ARG 20 HH21 ARG 20 -2.919 5.934 1.923 139 2HH2 ARG 20 HH22 ARG 20 -3.997 6.220 3.249 140 H GLY 21 HN GLY 21 -4.881 6.283 0.221 141 1HA GLY 21 HA2 GLY 21 -7.173 5.988 0.956 142 2HA GLY 21 HA1 GLY 21 -7.597 5.482 -0.676 143 H LEU 22 HN LEU 22 -5.241 3.993 -1.162 144 HA LEU 22 HA LEU 22 -5.536 1.702 0.670 145 1HB LEU 22 HB2 LEU 22 -4.138 1.892 -2.028 146 2HB LEU 22 HB1 LEU 22 -4.327 0.440 -1.044 147 HG LEU 22 HG LEU 22 -6.842 0.759 -1.328 148 1HD1 LEU 22 HD11 LEU 22 -7.365 1.955 -3.529 149 2HD1 LEU 22 HD12 LEU 22 -5.857 2.823 -3.277 150 3HD1 LEU 22 HD13 LEU 22 -7.152 2.924 -2.090 151 1HD2 LEU 22 HD21 LEU 22 -6.851 -0.383 -3.419 152 2HD2 LEU 22 HD22 LEU 22 -5.471 -0.942 -2.488 153 3HD2 LEU 22 HD23 LEU 22 -5.239 0.202 -3.816 154 H GLN 23 HN GLN 23 -4.020 1.176 1.993 155 HA GLN 23 HA GLN 23 -1.665 2.939 2.045 156 1HB GLN 23 HB2 GLN 23 -3.142 2.919 4.043 157 2HB GLN 23 HB1 GLN 23 -2.817 1.208 4.269 158 1HG GLN 23 HG2 GLN 23 -1.486 2.649 5.735 159 2HG GLN 23 HG1 GLN 23 -0.469 1.646 4.711 160 1HE2 GLN 23 HE21 GLN 23 1.330 2.993 4.767 161 2HE2 GLN 23 HE22 GLN 23 1.324 4.569 4.062 162 H CYS 24 HN CYS 24 0.220 2.271 1.738 163 HA CYS 24 HA CYS 24 0.792 -0.447 0.965 164 1HB CYS 24 HB2 CYS 24 1.944 1.291 -0.149 165 2HB CYS 24 HB1 CYS 24 2.508 2.018 1.330 166 H ARG 25 HN ARG 25 0.576 -1.836 2.502 167 HA ARG 25 HA ARG 25 1.841 -1.378 5.144 168 1HB ARG 25 HB2 ARG 25 -0.464 -2.090 5.154 169 2HB ARG 25 HB1 ARG 25 -0.101 -3.484 4.142 170 1HG ARG 25 HG2 ARG 25 1.275 -4.444 5.966 171 2HG ARG 25 HG1 ARG 25 0.925 -3.022 6.963 172 1HD ARG 25 HD2 ARG 25 -1.383 -3.583 7.068 173 2HD ARG 25 HD1 ARG 25 -1.187 -4.821 5.813 174 HE ARG 25 HE ARG 25 0.476 -5.425 8.026 175 1HH1 ARG 25 HH11 ARG 25 -2.925 -5.366 7.128 176 2HH1 ARG 25 HH12 ARG 25 -3.307 -6.720 8.118 177 1HH2 ARG 25 HH21 ARG 25 -0.065 -7.200 9.308 178 2HH2 ARG 25 HH22 ARG 25 -1.702 -7.765 9.359 179 H TYR 26 HN TYR 26 3.189 -2.908 6.023 180 HA TYR 26 HA TYR 26 5.354 -3.686 4.544 181 1HB TYR 26 HB2 TYR 26 4.248 -4.859 7.104 182 2HB TYR 26 HB1 TYR 26 5.799 -5.373 6.435 183 HD1 TYR 26 HD1 TYR 26 7.654 -3.663 6.169 184 HD2 TYR 26 HD2 TYR 26 4.062 -2.852 8.349 185 HE1 TYR 26 HE1 TYR 26 8.754 -1.798 7.298 186 HE2 TYR 26 HE2 TYR 26 5.187 -1.007 9.501 187 HH TYR 26 HH TYR 26 7.843 -0.473 10.023 188 H GLY 27 HN GLY 27 4.846 -4.589 2.639 189 1HA GLY 27 HA2 GLY 27 5.329 -6.812 1.755 190 2HA GLY 27 HA1 GLY 27 4.058 -7.475 2.763 191 H LYS 28 HN LYS 28 2.255 -5.184 2.243 192 HA LYS 28 HA LYS 28 1.655 -5.321 -0.575 193 1HB LYS 28 HB2 LYS 28 -0.504 -6.510 -0.287 194 2HB LYS 28 HB1 LYS 28 0.910 -7.511 0.036 195 1HG LYS 28 HG2 LYS 28 0.608 -7.223 2.454 196 2HG LYS 28 HG1 LYS 28 -0.824 -6.208 2.162 197 1HD LYS 28 HD2 LYS 28 -1.963 -8.081 1.080 198 2HD LYS 28 HD1 LYS 28 -0.533 -9.106 1.303 199 1HE LYS 28 HE2 LYS 28 -2.178 -7.875 3.528 200 2HE LYS 28 HE1 LYS 28 -2.264 -9.535 2.960 201 1HZ LYS 28 HZ1 LYS 28 -0.011 -8.228 4.368 202 2HZ LYS 28 HZ2 LYS 28 0.188 -9.695 3.532 203 3HZ LYS 28 HZ3 LYS 28 -0.903 -9.587 4.814 204 H CYS 29 HN CYS 29 0.087 -4.052 -1.262 205 HA CYS 29 HA CYS 29 -0.698 -1.857 0.460 206 1HB CYS 29 HB2 CYS 29 -0.914 -2.514 -2.423 207 2HB CYS 29 HB1 CYS 29 -2.091 -1.370 -1.793 208 H LEU 30 HN LEU 30 -2.466 -1.642 1.502 209 HA LEU 30 HA LEU 30 -4.766 -3.429 0.891 210 1HB LEU 30 HB2 LEU 30 -3.591 -2.742 3.606 211 2HB LEU 30 HB1 LEU 30 -5.139 -3.558 3.371 212 HG LEU 30 HG LEU 30 -2.437 -4.658 2.533 213 1HD1 LEU 30 HD11 LEU 30 -3.085 -4.457 5.054 214 2HD1 LEU 30 HD12 LEU 30 -2.436 -5.955 4.410 215 3HD1 LEU 30 HD13 LEU 30 -4.167 -5.798 4.687 216 1HD2 LEU 30 HD21 LEU 30 -3.749 -6.751 2.236 217 2HD2 LEU 30 HD22 LEU 30 -4.143 -5.520 1.058 218 3HD2 LEU 30 HD23 LEU 30 -5.235 -5.826 2.417 219 H VAL 31 HN VAL 31 -6.615 -2.594 0.873 220 HA VAL 31 HA VAL 31 -7.009 0.227 0.836 221 HB VAL 31 HB VAL 31 -9.441 -0.312 0.742 222 1HG1 VAL 31 HG11 VAL 31 -7.462 -1.579 -1.090 223 2HG1 VAL 31 HG12 VAL 31 -8.632 -0.291 -1.358 224 3HG1 VAL 31 HG13 VAL 31 -9.171 -1.956 -1.295 225 1HG2 VAL 31 HG21 VAL 31 -8.477 -3.140 1.285 226 2HG2 VAL 31 HG22 VAL 31 -10.030 -2.757 0.559 227 3HG2 VAL 31 HG23 VAL 31 -9.671 -2.191 2.168 228 H GLN 32 HN GLN 32 -8.023 1.552 2.233 229 HA GLN 32 HA GLN 32 -7.721 0.917 5.030 230 1HB GLN 32 HB2 GLN 32 -7.266 3.177 4.252 231 2HB GLN 32 HB1 GLN 32 -8.896 3.349 3.624 232 1HG GLN 32 HG2 GLN 32 -8.474 4.514 5.767 233 2HG GLN 32 HG1 GLN 32 -9.835 3.406 5.827 234 1HE2 GLN 32 HE21 GLN 32 -9.726 3.213 8.072 235 2HE2 GLN 32 HE22 GLN 32 -8.439 2.358 8.844 236 H VAL 33 HN VAL 33 -8.987 -0.636 5.609 237 HA VAL 33 HA VAL 33 -11.753 -0.845 4.715 238 HB VAL 33 HB VAL 33 -10.282 -2.556 6.755 239 1HG1 VAL 33 HG11 VAL 33 -12.634 -2.891 6.972 240 2HG1 VAL 33 HG12 VAL 33 -12.020 -4.214 6.002 241 3HG1 VAL 33 HG13 VAL 33 -12.874 -2.890 5.218 242 1HG2 VAL 33 HG21 VAL 33 -10.605 -3.001 3.779 243 2HG2 VAL 33 HG22 VAL 33 -9.905 -4.118 4.944 244 3HG2 VAL 33 HG23 VAL 33 -9.101 -2.600 4.614 245 1HG HSL 34 HG1 HSL 34 -14.582 4.495 7.131 246 2HG HSL 34 HG2 HSL 34 -14.390 3.912 8.798 247 H HSL 34 HN HSL 34 -12.790 0.840 5.490 248 HA HSL 34 HA HSL 34 -13.175 0.948 8.163 249 1HB HSL 34 HB1 HSL 34 -12.828 3.303 6.415 250 2HB HSL 34 HB2 HSL 34 -12.420 3.085 8.120 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 0.480 3.606 -13.921 2 2H ALA 1 HT2 ALA 1 1.805 3.759 -12.882 3 3H ALA 1 HT3 ALA 1 0.314 4.483 -12.488 4 HA ALA 1 HA ALA 1 -0.739 2.314 -12.344 5 1HB ALA 1 HB1 ALA 1 0.600 0.271 -12.442 6 2HB ALA 1 HB2 ALA 1 2.044 1.229 -12.830 7 3HB ALA 1 HB3 ALA 1 0.684 1.183 -13.946 8 H CYS 2 HN CYS 2 -1.148 3.200 -10.451 9 HA CYS 2 HA CYS 2 0.782 3.434 -8.306 10 1HB CYS 2 HB2 CYS 2 -1.112 4.100 -6.956 11 2HB CYS 2 HB1 CYS 2 -1.284 4.837 -8.545 12 H GLY 3 HN GLY 3 0.682 2.272 -6.356 13 1HA GLY 3 HA2 GLY 3 0.335 -0.510 -6.453 14 2HA GLY 3 HA1 GLY 3 0.453 0.471 -4.997 15 H ILE 4 HN ILE 4 -1.320 -1.805 -5.786 16 HA ILE 4 HA ILE 4 -3.905 -0.570 -5.100 17 HB ILE 4 HB ILE 4 -5.038 -2.347 -6.420 18 1HG1 ILE 4 HG12 ILE 4 -2.261 -2.913 -7.504 19 2HG1 ILE 4 HG11 ILE 4 -3.119 -3.988 -6.400 20 1HG2 ILE 4 HG21 ILE 4 -4.701 -0.105 -7.324 21 2HG2 ILE 4 HG22 ILE 4 -4.731 -1.347 -8.561 22 3HG2 ILE 4 HG23 ILE 4 -3.186 -0.631 -8.072 23 1HD1 ILE 4 HD11 ILE 4 -3.925 -3.275 -9.203 24 2HD1 ILE 4 HD12 ILE 4 -4.904 -4.241 -8.086 25 3HD1 ILE 4 HD13 ILE 4 -3.317 -4.809 -8.592 26 H LEU 5 HN LEU 5 -5.438 -2.449 -4.601 27 HA LEU 5 HA LEU 5 -5.058 -2.867 -1.954 28 1HB LEU 5 HB2 LEU 5 -7.077 -4.175 -1.964 29 2HB LEU 5 HB1 LEU 5 -7.211 -2.843 -3.091 30 HG LEU 5 HG LEU 5 -6.500 -5.610 -4.054 31 1HD1 LEU 5 HD11 LEU 5 -8.601 -5.780 -2.846 32 2HD1 LEU 5 HD12 LEU 5 -8.789 -5.981 -4.583 33 3HD1 LEU 5 HD13 LEU 5 -9.259 -4.459 -3.828 34 1HD2 LEU 5 HD21 LEU 5 -7.635 -4.643 -6.127 35 2HD2 LEU 5 HD22 LEU 5 -6.030 -4.067 -5.740 36 3HD2 LEU 5 HD23 LEU 5 -7.438 -3.061 -5.371 37 H HIS 6 HN HIS 6 -3.716 -4.833 -4.404 38 HA HIS 6 HA HIS 6 -2.717 -6.625 -2.352 39 1HB HIS 6 HB2 HIS 6 -3.152 -8.623 -3.739 40 2HB HIS 6 HB1 HIS 6 -4.619 -7.816 -3.215 41 HD1 HIS 6 HD1 HIS 6 -2.510 -8.301 -6.329 42 HD2 HIS 6 HD2 HIS 6 -6.316 -7.104 -5.215 43 HE1 HIS 6 HE1 HIS 6 -3.801 -8.035 -8.465 44 HE2 HIS 6 HE2 HIS 6 -6.055 -7.167 -7.768 45 H ASP 7 HN ASP 7 -1.559 -4.444 -3.600 46 HA ASP 7 HA ASP 7 0.414 -5.652 -5.430 47 1HB ASP 7 HB2 ASP 7 -0.409 -3.436 -5.986 48 2HB ASP 7 HB1 ASP 7 0.151 -2.771 -4.451 49 H ASN 8 HN ASN 8 1.944 -6.690 -4.593 50 HA ASN 8 HA ASN 8 2.736 -6.669 -1.884 51 1HB ASN 8 HB2 ASN 8 4.186 -7.663 -4.352 52 2HB ASN 8 HB1 ASN 8 4.753 -7.945 -2.700 53 1HD2 ASN 8 HD21 ASN 8 2.340 -8.768 -5.101 54 2HD2 ASN 8 HD22 ASN 8 1.713 -10.118 -4.226 55 H CYS 9 HN CYS 9 3.812 -5.222 -0.832 56 HA CYS 9 HA CYS 9 5.433 -3.230 -2.180 57 1HB CYS 9 HB2 CYS 9 3.047 -2.567 -2.526 58 2HB CYS 9 HB1 CYS 9 2.834 -2.464 -0.786 59 H VAL 10 HN VAL 10 6.752 -2.233 -0.922 60 HA VAL 10 HA VAL 10 7.123 -3.198 1.808 61 HB VAL 10 HB VAL 10 9.069 -2.880 0.358 62 1HG1 VAL 10 HG11 VAL 10 9.815 -0.795 -0.421 63 2HG1 VAL 10 HG12 VAL 10 8.595 0.093 0.457 64 3HG1 VAL 10 HG13 VAL 10 8.140 -0.902 -0.924 65 1HG2 VAL 10 HG21 VAL 10 10.486 -1.821 1.911 66 2HG2 VAL 10 HG22 VAL 10 9.225 -2.590 2.863 67 3HG2 VAL 10 HG23 VAL 10 9.197 -0.840 2.589 68 H TYR 11 HN TYR 11 7.104 -1.970 3.614 69 HA TYR 11 HA TYR 11 4.984 -0.029 3.716 70 1HB TYR 11 HB2 TYR 11 5.419 -1.691 5.498 71 2HB TYR 11 HB1 TYR 11 6.919 -0.871 5.902 72 HD1 TYR 11 HD1 TYR 11 6.892 1.127 7.262 73 HD2 TYR 11 HD2 TYR 11 3.232 -0.519 5.883 74 HE1 TYR 11 HE1 TYR 11 5.643 2.590 8.775 75 HE2 TYR 11 HE2 TYR 11 1.975 0.911 7.387 76 HH TYR 11 HH TYR 11 2.667 2.153 9.756 77 H VAL 12 HN VAL 12 5.843 1.427 2.227 78 HA VAL 12 HA VAL 12 7.609 3.440 3.537 79 HB VAL 12 HB VAL 12 8.338 4.138 1.246 80 1HG1 VAL 12 HG11 VAL 12 9.823 2.866 2.675 81 2HG1 VAL 12 HG12 VAL 12 10.003 2.380 0.994 82 3HG1 VAL 12 HG13 VAL 12 9.113 1.346 2.110 83 1HG2 VAL 12 HG21 VAL 12 8.203 2.384 -0.529 84 2HG2 VAL 12 HG22 VAL 12 6.673 3.151 -0.189 85 3HG2 VAL 12 HG23 VAL 12 7.008 1.543 0.429 86 HA PRO 13 HA PRO 13 3.371 5.036 2.840 87 1HB PRO 13 HB2 PRO 13 3.819 6.442 5.378 88 2HB PRO 13 HB1 PRO 13 2.597 5.253 4.926 89 1HG PRO 13 HG2 PRO 13 4.609 4.729 6.655 90 2HG PRO 13 HG1 PRO 13 3.864 3.485 5.635 91 1HD PRO 13 HD2 PRO 13 6.458 4.954 5.268 92 2HD PRO 13 HD1 PRO 13 6.040 3.260 5.048 93 H ALA 14 HN ALA 14 6.268 6.663 3.971 94 HA ALA 14 HA ALA 14 5.438 9.329 3.553 95 1HB ALA 14 HB1 ALA 14 7.287 8.702 5.004 96 2HB ALA 14 HB2 ALA 14 7.797 9.893 3.814 97 3HB ALA 14 HB3 ALA 14 8.246 8.187 3.620 98 H GLN 15 HN GLN 15 6.810 6.872 1.533 99 HA GLN 15 HA GLN 15 6.448 8.653 -0.838 100 1HB GLN 15 HB2 GLN 15 8.540 6.484 -0.382 101 2HB GLN 15 HB1 GLN 15 8.313 7.416 -1.878 102 1HG GLN 15 HG2 GLN 15 8.952 9.469 -0.714 103 2HG GLN 15 HG1 GLN 15 9.127 8.575 0.802 104 1HE2 GLN 15 HE21 GLN 15 10.514 9.204 -2.344 105 2HE2 GLN 15 HE22 GLN 15 12.035 8.467 -1.990 106 H ASN 16 HN ASN 16 4.412 7.302 0.217 107 HA ASN 16 HA ASN 16 4.095 4.620 -0.642 108 1HB ASN 16 HB2 ASN 16 2.748 5.701 1.109 109 2HB ASN 16 HB1 ASN 16 1.923 6.670 -0.069 110 1HD2 ASN 16 HD21 ASN 16 -0.106 5.819 0.305 111 2HD2 ASN 16 HD22 ASN 16 -0.492 4.167 0.005 112 HA PRO 17 HA PRO 17 3.336 5.810 -4.935 113 1HB PRO 17 HB2 PRO 17 4.253 3.538 -6.015 114 2HB PRO 17 HB1 PRO 17 5.338 4.701 -5.251 115 1HG PRO 17 HG2 PRO 17 4.369 2.088 -4.214 116 2HG PRO 17 HG1 PRO 17 5.935 2.885 -3.995 117 1HD PRO 17 HD2 PRO 17 3.751 2.880 -2.193 118 2HD PRO 17 HD1 PRO 17 5.259 3.807 -2.092 119 H CYS 18 HN CYS 18 1.563 4.315 -2.878 120 HA CYS 18 HA CYS 18 -0.087 2.700 -4.651 121 1HB CYS 18 HB2 CYS 18 0.719 1.917 -2.381 122 2HB CYS 18 HB1 CYS 18 -0.403 3.046 -1.673 123 H CYS 19 HN CYS 19 -2.228 3.060 -4.865 124 HA CYS 19 HA CYS 19 -2.913 5.776 -5.283 125 1HB CYS 19 HB2 CYS 19 -4.273 3.155 -5.539 126 2HB CYS 19 HB1 CYS 19 -5.352 4.528 -5.348 127 H ARG 20 HN ARG 20 -4.551 6.986 -4.465 128 HA ARG 20 HA ARG 20 -4.374 7.393 -1.674 129 1HB ARG 20 HB2 ARG 20 -4.802 9.232 -3.099 130 2HB ARG 20 HB1 ARG 20 -6.230 8.465 -3.800 131 1HG ARG 20 HG2 ARG 20 -7.347 8.678 -1.530 132 2HG ARG 20 HG1 ARG 20 -5.915 9.567 -0.990 133 1HD ARG 20 HD2 ARG 20 -7.776 10.994 -1.632 134 2HD ARG 20 HD1 ARG 20 -6.346 11.299 -2.591 135 HE ARG 20 HE ARG 20 -7.358 10.046 -4.436 136 1HH1 ARG 20 HH11 ARG 20 -9.549 11.121 -1.892 137 2HH1 ARG 20 HH12 ARG 20 -10.886 11.192 -2.959 138 1HH2 ARG 20 HH21 ARG 20 -9.167 10.093 -5.779 139 2HH2 ARG 20 HH22 ARG 20 -10.697 10.610 -5.152 140 H GLY 21 HN GLY 21 -5.292 6.411 -0.109 141 1HA GLY 21 HA2 GLY 21 -7.206 5.649 1.045 142 2HA GLY 21 HA1 GLY 21 -7.966 5.142 -0.454 143 H LEU 22 HN LEU 22 -4.743 4.378 -0.598 144 HA LEU 22 HA LEU 22 -5.088 1.749 0.690 145 1HB LEU 22 HB2 LEU 22 -3.785 2.281 -1.987 146 2HB LEU 22 HB1 LEU 22 -3.855 0.738 -1.142 147 HG LEU 22 HG LEU 22 -6.387 0.915 -1.360 148 1HD1 LEU 22 HD11 LEU 22 -5.543 3.045 -3.292 149 2HD1 LEU 22 HD12 LEU 22 -6.742 3.152 -2.029 150 3HD1 LEU 22 HD13 LEU 22 -7.049 2.173 -3.421 151 1HD2 LEU 22 HD21 LEU 22 -6.344 -0.120 -3.496 152 2HD2 LEU 22 HD22 LEU 22 -4.927 -0.638 -2.595 153 3HD2 LEU 22 HD23 LEU 22 -4.774 0.586 -3.863 154 H GLN 23 HN GLN 23 -3.417 0.971 1.738 155 HA GLN 23 HA GLN 23 -1.036 2.737 2.015 156 1HB GLN 23 HB2 GLN 23 -2.402 3.022 3.940 157 2HB GLN 23 HB1 GLN 23 -2.646 1.292 4.139 158 1HG GLN 23 HG2 GLN 23 -0.197 1.074 4.649 159 2HG GLN 23 HG1 GLN 23 -0.049 2.831 4.497 160 1HE2 GLN 23 HE21 GLN 23 -0.862 4.138 6.150 161 2HE2 GLN 23 HE22 GLN 23 -1.328 3.459 7.668 162 H CYS 24 HN CYS 24 0.723 1.844 1.502 163 HA CYS 24 HA CYS 24 1.121 -0.964 1.094 164 1HB CYS 24 HB2 CYS 24 2.923 1.416 1.120 165 2HB CYS 24 HB1 CYS 24 3.586 -0.212 1.038 166 H ARG 25 HN ARG 25 0.661 -2.108 2.832 167 HA ARG 25 HA ARG 25 2.243 -1.591 5.270 168 1HB ARG 25 HB2 ARG 25 -0.195 -1.903 5.489 169 2HB ARG 25 HB1 ARG 25 -0.054 -3.533 4.852 170 1HG ARG 25 HG2 ARG 25 1.617 -2.741 7.251 171 2HG ARG 25 HG1 ARG 25 -0.111 -2.983 7.443 172 1HD ARG 25 HD2 ARG 25 1.584 -5.086 6.119 173 2HD ARG 25 HD1 ARG 25 1.430 -4.960 7.857 174 HE ARG 25 HE ARG 25 -1.146 -4.955 7.084 175 1HH1 ARG 25 HH11 ARG 25 1.534 -7.096 6.251 176 2HH1 ARG 25 HH12 ARG 25 0.504 -8.457 6.077 177 1HH2 ARG 25 HH21 ARG 25 -2.454 -6.760 6.847 178 2HH2 ARG 25 HH22 ARG 25 -1.762 -8.287 6.413 179 H TYR 26 HN TYR 26 3.358 -3.237 6.228 180 HA TYR 26 HA TYR 26 5.303 -4.436 4.835 181 1HB TYR 26 HB2 TYR 26 4.050 -5.569 7.359 182 2HB TYR 26 HB1 TYR 26 5.656 -5.979 6.742 183 HD1 TYR 26 HD1 TYR 26 7.524 -4.459 7.018 184 HD2 TYR 26 HD2 TYR 26 3.601 -3.344 8.321 185 HE1 TYR 26 HE1 TYR 26 8.466 -2.591 8.291 186 HE2 TYR 26 HE2 TYR 26 4.554 -1.482 9.580 187 HH TYR 26 HH TYR 26 7.067 -1.056 10.662 188 H GLY 27 HN GLY 27 4.804 -5.369 2.989 189 1HA GLY 27 HA2 GLY 27 4.706 -7.751 2.253 190 2HA GLY 27 HA1 GLY 27 3.135 -7.851 3.032 191 H LYS 28 HN LYS 28 1.818 -5.681 2.361 192 HA LYS 28 HA LYS 28 2.030 -5.044 -0.450 193 1HB LYS 28 HB2 LYS 28 0.037 -6.081 -1.233 194 2HB LYS 28 HB1 LYS 28 1.004 -7.335 -0.481 195 1HG LYS 28 HG2 LYS 28 -0.382 -7.449 1.402 196 2HG LYS 28 HG1 LYS 28 -1.224 -5.937 1.025 197 1HD LYS 28 HD2 LYS 28 -2.160 -6.968 -0.958 198 2HD LYS 28 HD1 LYS 28 -1.388 -8.500 -0.595 199 1HE LYS 28 HE2 LYS 28 -3.420 -7.058 1.138 200 2HE LYS 28 HE1 LYS 28 -3.755 -8.395 0.043 201 1HZ LYS 28 HZ1 LYS 28 -2.114 -8.468 2.512 202 2HZ LYS 28 HZ2 LYS 28 -2.091 -9.724 1.364 203 3HZ LYS 28 HZ3 LYS 28 -3.526 -9.315 2.150 204 H CYS 29 HN CYS 29 0.368 -3.694 -1.203 205 HA CYS 29 HA CYS 29 -0.452 -1.821 0.809 206 1HB CYS 29 HB2 CYS 29 0.361 -1.137 -1.454 207 2HB CYS 29 HB1 CYS 29 -1.110 -1.759 -2.133 208 H LEU 30 HN LEU 30 -2.346 -1.536 1.647 209 HA LEU 30 HA LEU 30 -4.570 -3.258 0.692 210 1HB LEU 30 HB2 LEU 30 -5.272 -3.417 3.112 211 2HB LEU 30 HB1 LEU 30 -3.835 -4.293 2.636 212 HG LEU 30 HG LEU 30 -2.476 -2.317 3.594 213 1HD1 LEU 30 HD11 LEU 30 -3.846 -1.285 5.548 214 2HD1 LEU 30 HD12 LEU 30 -5.244 -1.596 4.522 215 3HD1 LEU 30 HD13 LEU 30 -3.920 -0.576 3.952 216 1HD2 LEU 30 HD21 LEU 30 -2.568 -3.229 5.812 217 2HD2 LEU 30 HD22 LEU 30 -2.619 -4.533 4.632 218 3HD2 LEU 30 HD23 LEU 30 -4.098 -4.035 5.475 219 H VAL 31 HN VAL 31 -6.561 -2.513 0.898 220 HA VAL 31 HA VAL 31 -6.875 0.323 0.477 221 HB VAL 31 HB VAL 31 -9.350 -0.249 0.354 222 1HG1 VAL 31 HG11 VAL 31 -7.280 -1.485 -1.422 223 2HG1 VAL 31 HG12 VAL 31 -8.314 -0.086 -1.690 224 3HG1 VAL 31 HG13 VAL 31 -9.000 -1.704 -1.741 225 1HG2 VAL 31 HG21 VAL 31 -9.320 -2.283 1.803 226 2HG2 VAL 31 HG22 VAL 31 -8.341 -3.105 0.590 227 3HG2 VAL 31 HG23 VAL 31 -9.965 -2.580 0.206 228 H GLN 32 HN GLN 32 -6.239 1.313 2.261 229 HA GLN 32 HA GLN 32 -7.229 0.794 4.879 230 1HB GLN 32 HB2 GLN 32 -6.226 2.886 5.523 231 2HB GLN 32 HB1 GLN 32 -5.154 2.021 4.419 232 1HG GLN 32 HG2 GLN 32 -5.845 3.449 2.604 233 2HG GLN 32 HG1 GLN 32 -6.923 4.370 3.632 234 1HE2 GLN 32 HE21 GLN 32 -5.976 5.664 5.287 235 2HE2 GLN 32 HE22 GLN 32 -4.361 6.221 5.091 236 H VAL 33 HN VAL 33 -9.144 1.039 5.581 237 HA VAL 33 HA VAL 33 -11.182 2.490 4.068 238 HB VAL 33 HB VAL 33 -11.482 1.047 6.732 239 1HG1 VAL 33 HG11 VAL 33 -13.385 2.419 6.375 240 2HG1 VAL 33 HG12 VAL 33 -13.846 0.811 5.856 241 3HG1 VAL 33 HG13 VAL 33 -13.452 2.031 4.649 242 1HG2 VAL 33 HG21 VAL 33 -12.238 -0.863 5.448 243 2HG2 VAL 33 HG22 VAL 33 -10.562 -0.494 5.073 244 3HG2 VAL 33 HG23 VAL 33 -11.847 -0.051 3.935 245 1HG HSL 34 HG1 HSL 34 -6.797 5.335 9.147 246 2HG HSL 34 HG2 HSL 34 -8.152 6.223 9.875 247 H HSL 34 HN HSL 34 -8.935 3.125 6.455 248 HA HSL 34 HA HSL 34 -10.444 5.576 7.641 249 1HB HSL 34 HB1 HSL 34 -8.162 3.803 8.253 250 2HB HSL 34 HB2 HSL 34 -9.412 4.454 9.319 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 3.718 1.781 -13.013 2 2H ALA 1 HT2 ALA 1 4.178 1.912 -11.391 3 3H ALA 1 HT3 ALA 1 3.400 3.210 -12.172 4 HA ALA 1 HA ALA 1 1.404 1.879 -12.471 5 1HB ALA 1 HB1 ALA 1 2.515 -0.281 -12.572 6 2HB ALA 1 HB2 ALA 1 1.212 -0.315 -11.389 7 3HB ALA 1 HB3 ALA 1 2.902 -0.204 -10.856 8 H CYS 2 HN CYS 2 -0.231 2.076 -11.061 9 HA CYS 2 HA CYS 2 0.397 3.337 -8.465 10 1HB CYS 2 HB2 CYS 2 -1.327 4.290 -10.004 11 2HB CYS 2 HB1 CYS 2 -2.332 2.873 -9.738 12 H GLY 3 HN GLY 3 0.496 2.202 -6.730 13 1HA GLY 3 HA2 GLY 3 0.235 -0.547 -6.563 14 2HA GLY 3 HA1 GLY 3 0.261 0.521 -5.197 15 H ILE 4 HN ILE 4 -1.450 -1.782 -6.549 16 HA ILE 4 HA ILE 4 -4.142 -0.739 -6.098 17 HB ILE 4 HB ILE 4 -4.897 -3.008 -6.838 18 1HG1 ILE 4 HG12 ILE 4 -1.961 -3.476 -7.351 19 2HG1 ILE 4 HG11 ILE 4 -2.882 -4.317 -6.091 20 1HG2 ILE 4 HG21 ILE 4 -2.982 -1.669 -8.766 21 2HG2 ILE 4 HG22 ILE 4 -4.624 -1.123 -8.396 22 3HG2 ILE 4 HG23 ILE 4 -4.380 -2.686 -9.151 23 1HD1 ILE 4 HD11 ILE 4 -4.288 -5.227 -7.956 24 2HD1 ILE 4 HD12 ILE 4 -2.600 -5.728 -7.937 25 3HD1 ILE 4 HD13 ILE 4 -3.127 -4.502 -9.082 26 H LEU 5 HN LEU 5 -5.622 -2.374 -5.077 27 HA LEU 5 HA LEU 5 -5.120 -1.952 -2.325 28 1HB LEU 5 HB2 LEU 5 -7.341 -2.878 -1.991 29 2HB LEU 5 HB1 LEU 5 -7.287 -1.707 -3.284 30 HG LEU 5 HG LEU 5 -6.976 -4.037 -4.711 31 1HD1 LEU 5 HD11 LEU 5 -7.270 -5.484 -2.778 32 2HD1 LEU 5 HD12 LEU 5 -8.635 -5.606 -3.864 33 3HD1 LEU 5 HD13 LEU 5 -8.790 -4.677 -2.378 34 1HD2 LEU 5 HD21 LEU 5 -9.606 -2.757 -3.938 35 2HD2 LEU 5 HD22 LEU 5 -9.280 -3.772 -5.341 36 3HD2 LEU 5 HD23 LEU 5 -8.519 -2.191 -5.219 37 H HIS 6 HN HIS 6 -3.960 -4.383 -4.177 38 HA HIS 6 HA HIS 6 -3.017 -5.739 -1.806 39 1HB HIS 6 HB2 HIS 6 -3.659 -7.982 -2.623 40 2HB HIS 6 HB1 HIS 6 -5.041 -6.987 -2.205 41 HD1 HIS 6 HD1 HIS 6 -3.125 -7.726 -5.457 42 HD2 HIS 6 HD2 HIS 6 -6.993 -7.304 -4.000 43 HE1 HIS 6 HE1 HIS 6 -4.623 -8.095 -7.415 44 HE2 HIS 6 HE2 HIS 6 -6.959 -7.980 -6.488 45 H ASP 7 HN ASP 7 -1.717 -4.050 -3.381 46 HA ASP 7 HA ASP 7 -0.052 -5.780 -5.146 47 1HB ASP 7 HB2 ASP 7 -0.871 -3.688 -6.100 48 2HB ASP 7 HB1 ASP 7 -0.061 -2.733 -4.914 49 H ASN 8 HN ASN 8 1.837 -6.370 -4.590 50 HA ASN 8 HA ASN 8 2.828 -6.194 -2.017 51 1HB ASN 8 HB2 ASN 8 4.820 -7.248 -2.774 52 2HB ASN 8 HB1 ASN 8 3.493 -7.863 -3.742 53 1HD2 ASN 8 HD21 ASN 8 3.335 -5.508 -5.558 54 2HD2 ASN 8 HD22 ASN 8 4.749 -5.610 -6.494 55 H CYS 9 HN CYS 9 3.997 -4.864 -0.919 56 HA CYS 9 HA CYS 9 5.870 -2.990 -1.949 57 1HB CYS 9 HB2 CYS 9 4.683 -0.912 -1.313 58 2HB CYS 9 HB1 CYS 9 3.835 -1.753 -2.591 59 H VAL 10 HN VAL 10 7.109 -2.165 -0.427 60 HA VAL 10 HA VAL 10 6.916 -3.327 2.254 61 HB VAL 10 HB VAL 10 9.082 -2.170 2.667 62 1HG1 VAL 10 HG11 VAL 10 9.036 -4.452 1.775 63 2HG1 VAL 10 HG12 VAL 10 10.412 -3.528 1.185 64 3HG1 VAL 10 HG13 VAL 10 9.032 -3.808 0.123 65 1HG2 VAL 10 HG21 VAL 10 8.988 -0.227 1.327 66 2HG2 VAL 10 HG22 VAL 10 8.662 -1.125 -0.153 67 3HG2 VAL 10 HG23 VAL 10 10.231 -1.229 0.623 68 H TYR 11 HN TYR 11 7.087 -2.095 4.121 69 HA TYR 11 HA TYR 11 5.021 -0.072 4.189 70 1HB TYR 11 HB2 TYR 11 5.477 -1.844 5.926 71 2HB TYR 11 HB1 TYR 11 6.821 -0.908 6.497 72 HD1 TYR 11 HD1 TYR 11 6.312 1.473 7.368 73 HD2 TYR 11 HD2 TYR 11 3.285 -1.437 6.624 74 HE1 TYR 11 HE1 TYR 11 4.756 2.731 8.758 75 HE2 TYR 11 HE2 TYR 11 1.726 -0.176 8.014 76 HH TYR 11 HH TYR 11 2.134 1.610 10.092 77 H VAL 12 HN VAL 12 6.149 1.332 2.732 78 HA VAL 12 HA VAL 12 7.757 3.276 4.270 79 HB VAL 12 HB VAL 12 9.346 2.079 2.881 80 1HG1 VAL 12 HG11 VAL 12 7.628 1.473 1.064 81 2HG1 VAL 12 HG12 VAL 12 9.257 1.892 0.573 82 3HG1 VAL 12 HG13 VAL 12 7.972 3.068 0.392 83 1HG2 VAL 12 HG21 VAL 12 8.923 4.801 1.664 84 2HG2 VAL 12 HG22 VAL 12 10.415 3.942 1.951 85 3HG2 VAL 12 HG23 VAL 12 9.508 4.582 3.313 86 HA PRO 13 HA PRO 13 3.938 5.237 2.735 87 1HB PRO 13 HB2 PRO 13 4.739 7.096 4.923 88 2HB PRO 13 HB1 PRO 13 3.192 6.310 4.583 89 1HG PRO 13 HG2 PRO 13 4.765 5.520 6.588 90 2HG PRO 13 HG1 PRO 13 3.795 4.357 5.663 91 1HD PRO 13 HD2 PRO 13 6.733 4.952 5.506 92 2HD PRO 13 HD1 PRO 13 5.848 3.413 5.406 93 H ALA 14 HN ALA 14 6.998 6.655 3.717 94 HA ALA 14 HA ALA 14 6.933 9.117 2.488 95 1HB ALA 14 HB1 ALA 14 8.693 8.352 3.983 96 2HB ALA 14 HB2 ALA 14 9.373 9.022 2.505 97 3HB ALA 14 HB3 ALA 14 9.319 7.264 2.748 98 H GLN 15 HN GLN 15 7.615 5.968 1.136 99 HA GLN 15 HA GLN 15 7.706 7.150 -1.596 100 1HB GLN 15 HB2 GLN 15 9.131 4.676 -0.550 101 2HB GLN 15 HB1 GLN 15 9.203 5.317 -2.207 102 1HG GLN 15 HG2 GLN 15 10.324 7.332 -1.388 103 2HG GLN 15 HG1 GLN 15 10.219 6.732 0.274 104 1HE2 GLN 15 HE21 GLN 15 11.805 6.395 -2.820 105 2HE2 GLN 15 HE22 GLN 15 13.068 5.372 -2.236 106 H ASN 16 HN ASN 16 5.359 6.541 -0.326 107 HA ASN 16 HA ASN 16 4.461 3.903 -0.970 108 1HB ASN 16 HB2 ASN 16 3.435 5.180 0.812 109 2HB ASN 16 HB1 ASN 16 2.847 6.388 -0.307 110 1HD2 ASN 16 HD21 ASN 16 2.374 3.255 1.062 111 2HD2 ASN 16 HD22 ASN 16 0.892 2.907 0.248 112 HA PRO 17 HA PRO 17 3.577 5.131 -5.229 113 1HB PRO 17 HB2 PRO 17 4.090 2.728 -6.292 114 2HB PRO 17 HB1 PRO 17 5.373 3.748 -5.643 115 1HG PRO 17 HG2 PRO 17 4.212 1.279 -4.517 116 2HG PRO 17 HG1 PRO 17 5.830 1.966 -4.309 117 1HD PRO 17 HD2 PRO 17 3.548 2.189 -2.562 118 2HD PRO 17 HD1 PRO 17 5.200 2.790 -2.349 119 H CYS 18 HN CYS 18 1.714 3.835 -3.027 120 HA CYS 18 HA CYS 18 -0.061 2.249 -4.670 121 1HB CYS 18 HB2 CYS 18 0.710 1.548 -2.372 122 2HB CYS 18 HB1 CYS 18 -0.313 2.814 -1.715 123 H CYS 19 HN CYS 19 -2.179 2.657 -4.918 124 HA CYS 19 HA CYS 19 -2.875 5.334 -5.474 125 1HB CYS 19 HB2 CYS 19 -4.667 2.918 -5.082 126 2HB CYS 19 HB1 CYS 19 -5.176 4.440 -5.803 127 H ARG 20 HN ARG 20 -4.147 6.771 -4.530 128 HA ARG 20 HA ARG 20 -3.776 7.048 -1.731 129 1HB ARG 20 HB2 ARG 20 -5.553 8.525 -3.693 130 2HB ARG 20 HB1 ARG 20 -5.405 8.998 -1.986 131 1HG ARG 20 HG2 ARG 20 -3.032 9.417 -2.271 132 2HG ARG 20 HG1 ARG 20 -3.102 8.863 -3.953 133 1HD ARG 20 HD2 ARG 20 -4.630 10.661 -4.505 134 2HD ARG 20 HD1 ARG 20 -4.622 11.222 -2.815 135 HE ARG 20 HE ARG 20 -1.980 11.266 -3.522 136 1HH1 ARG 20 HH11 ARG 20 -4.895 12.625 -4.961 137 2HH1 ARG 20 HH12 ARG 20 -4.082 14.030 -5.514 138 1HH2 ARG 20 HH21 ARG 20 -0.944 13.141 -4.258 139 2HH2 ARG 20 HH22 ARG 20 -1.842 14.342 -5.125 140 H GLY 21 HN GLY 21 -4.919 6.642 -0.047 141 1HA GLY 21 HA2 GLY 21 -6.870 6.098 1.138 142 2HA GLY 21 HA1 GLY 21 -7.642 5.484 -0.314 143 H LEU 22 HN LEU 22 -4.938 4.181 -0.933 144 HA LEU 22 HA LEU 22 -5.409 1.723 0.614 145 1HB LEU 22 HB2 LEU 22 -3.893 2.272 -1.950 146 2HB LEU 22 HB1 LEU 22 -3.946 0.726 -1.133 147 HG LEU 22 HG LEU 22 -6.259 0.463 -1.592 148 1HD1 LEU 22 HD11 LEU 22 -7.330 2.150 -3.189 149 2HD1 LEU 22 HD12 LEU 22 -6.112 3.284 -2.612 150 3HD1 LEU 22 HD13 LEU 22 -7.262 2.551 -1.488 151 1HD2 LEU 22 HD21 LEU 22 -6.127 0.027 -3.842 152 2HD2 LEU 22 HD22 LEU 22 -4.458 -0.024 -3.304 153 3HD2 LEU 22 HD23 LEU 22 -5.058 1.376 -4.148 154 H GLN 23 HN GLN 23 -3.965 0.897 1.915 155 HA GLN 23 HA GLN 23 -1.554 2.564 2.459 156 1HB GLN 23 HB2 GLN 23 -3.201 0.942 4.439 157 2HB GLN 23 HB1 GLN 23 -1.816 1.972 4.825 158 1HG GLN 23 HG2 GLN 23 -4.527 2.813 3.831 159 2HG GLN 23 HG1 GLN 23 -3.826 3.105 5.419 160 1HE2 GLN 23 HE21 GLN 23 -4.897 5.010 3.446 161 2HE2 GLN 23 HE22 GLN 23 -3.581 6.073 3.098 162 H CYS 24 HN CYS 24 0.297 1.736 2.572 163 HA CYS 24 HA CYS 24 0.631 -1.021 1.704 164 1HB CYS 24 HB2 CYS 24 2.347 1.369 1.829 165 2HB CYS 24 HB1 CYS 24 3.154 -0.186 1.909 166 H ARG 25 HN ARG 25 0.499 -2.505 3.091 167 HA ARG 25 HA ARG 25 1.773 -2.307 5.742 168 1HB ARG 25 HB2 ARG 25 0.618 -4.765 4.373 169 2HB ARG 25 HB1 ARG 25 0.936 -4.542 6.095 170 1HG ARG 25 HG2 ARG 25 -1.158 -3.078 4.453 171 2HG ARG 25 HG1 ARG 25 -1.433 -4.434 5.544 172 1HD ARG 25 HD2 ARG 25 -0.866 -3.189 7.439 173 2HD ARG 25 HD1 ARG 25 -0.192 -1.844 6.512 174 HE ARG 25 HE ARG 25 -2.701 -1.800 5.632 175 1HH1 ARG 25 HH11 ARG 25 -1.511 -2.115 8.943 176 2HH1 ARG 25 HH12 ARG 25 -2.815 -1.209 9.590 177 1HH2 ARG 25 HH21 ARG 25 -4.396 -0.622 6.533 178 2HH2 ARG 25 HH22 ARG 25 -4.459 -0.355 8.244 179 H TYR 26 HN TYR 26 3.404 -3.894 6.302 180 HA TYR 26 HA TYR 26 5.579 -3.575 4.452 181 1HB TYR 26 HB2 TYR 26 5.715 -3.619 6.995 182 2HB TYR 26 HB1 TYR 26 5.573 -5.361 6.913 183 HD1 TYR 26 HD1 TYR 26 7.802 -2.501 6.334 184 HD2 TYR 26 HD2 TYR 26 7.391 -6.723 5.920 185 HE1 TYR 26 HE1 TYR 26 10.185 -2.669 5.972 186 HE2 TYR 26 HE2 TYR 26 9.801 -6.896 5.526 187 HH TYR 26 HH TYR 26 11.954 -4.768 6.376 188 H GLY 27 HN GLY 27 4.717 -4.549 2.646 189 1HA GLY 27 HA2 GLY 27 5.657 -6.718 1.642 190 2HA GLY 27 HA1 GLY 27 4.442 -7.504 2.646 191 H LYS 28 HN LYS 28 2.512 -5.313 2.306 192 HA LYS 28 HA LYS 28 1.822 -5.322 -0.514 193 1HB LYS 28 HB2 LYS 28 -0.231 -6.603 -0.277 194 2HB LYS 28 HB1 LYS 28 1.167 -7.573 0.184 195 1HG LYS 28 HG2 LYS 28 0.687 -7.383 2.515 196 2HG LYS 28 HG1 LYS 28 -0.532 -6.145 2.255 197 1HD LYS 28 HD2 LYS 28 -1.614 -8.202 2.715 198 2HD LYS 28 HD1 LYS 28 -1.949 -7.738 1.049 199 1HE LYS 28 HE2 LYS 28 -0.290 -9.345 0.247 200 2HE LYS 28 HE1 LYS 28 0.158 -9.742 1.916 201 1HZ LYS 28 HZ1 LYS 28 -1.303 -11.361 0.960 202 2HZ LYS 28 HZ2 LYS 28 -2.499 -10.211 0.653 203 3HZ LYS 28 HZ3 LYS 28 -2.078 -10.604 2.256 204 H CYS 29 HN CYS 29 0.418 -3.861 -1.052 205 HA CYS 29 HA CYS 29 -0.561 -2.026 0.968 206 1HB CYS 29 HB2 CYS 29 0.375 -1.240 -1.254 207 2HB CYS 29 HB1 CYS 29 -1.016 -1.891 -2.012 208 H LEU 30 HN LEU 30 -2.583 -1.698 1.488 209 HA LEU 30 HA LEU 30 -4.678 -3.409 0.328 210 1HB LEU 30 HB2 LEU 30 -4.049 -3.136 3.274 211 2HB LEU 30 HB1 LEU 30 -5.487 -3.927 2.625 212 HG LEU 30 HG LEU 30 -2.643 -4.883 2.163 213 1HD1 LEU 30 HD11 LEU 30 -3.289 -5.064 4.518 214 2HD1 LEU 30 HD12 LEU 30 -3.150 -6.627 3.724 215 3HD1 LEU 30 HD13 LEU 30 -4.747 -5.953 4.042 216 1HD2 LEU 30 HD21 LEU 30 -3.993 -5.640 0.362 217 2HD2 LEU 30 HD22 LEU 30 -5.359 -5.995 1.421 218 3HD2 LEU 30 HD23 LEU 30 -3.901 -6.969 1.496 219 H VAL 31 HN VAL 31 -6.552 -2.543 0.180 220 HA VAL 31 HA VAL 31 -6.806 0.283 0.406 221 HB VAL 31 HB VAL 31 -8.006 -0.897 -1.309 222 1HG1 VAL 31 HG11 VAL 31 -9.830 -2.093 0.777 223 2HG1 VAL 31 HG12 VAL 31 -8.475 -2.987 0.081 224 3HG1 VAL 31 HG13 VAL 31 -9.770 -2.406 -0.947 225 1HG2 VAL 31 HG21 VAL 31 -8.897 1.257 -0.348 226 2HG2 VAL 31 HG22 VAL 31 -10.075 0.269 0.536 227 3HG2 VAL 31 HG23 VAL 31 -10.036 0.241 -1.219 228 H GLN 32 HN GLN 32 -6.945 1.331 2.153 229 HA GLN 32 HA GLN 32 -8.119 0.149 4.573 230 1HB GLN 32 HB2 GLN 32 -6.012 1.418 4.641 231 2HB GLN 32 HB1 GLN 32 -6.831 2.893 4.155 232 1HG GLN 32 HG2 GLN 32 -7.584 1.298 6.642 233 2HG GLN 32 HG1 GLN 32 -6.319 2.519 6.630 234 1HE2 GLN 32 HE21 GLN 32 -8.931 2.405 8.067 235 2HE2 GLN 32 HE22 GLN 32 -9.711 3.881 7.625 236 H VAL 33 HN VAL 33 -10.177 0.041 4.431 237 HA VAL 33 HA VAL 33 -11.733 2.528 4.299 238 HB VAL 33 HB VAL 33 -11.726 1.807 1.974 239 1HG1 VAL 33 HG11 VAL 33 -12.949 -0.826 2.837 240 2HG1 VAL 33 HG12 VAL 33 -11.243 -0.619 2.409 241 3HG1 VAL 33 HG13 VAL 33 -12.497 -0.301 1.221 242 1HG2 VAL 33 HG21 VAL 33 -14.425 1.068 3.117 243 2HG2 VAL 33 HG22 VAL 33 -14.034 1.823 1.581 244 3HG2 VAL 33 HG23 VAL 33 -13.823 2.735 3.067 245 1HG HSL 34 HG1 HSL 34 -14.253 2.605 9.859 246 2HG HSL 34 HG2 HSL 34 -14.444 0.856 10.102 247 H HSL 34 HN HSL 34 -13.208 2.563 5.721 248 HA HSL 34 HA HSL 34 -14.160 -0.123 7.000 249 1HB HSL 34 HB1 HSL 34 -12.771 0.622 8.629 250 2HB HSL 34 HB2 HSL 34 -12.894 2.305 8.106 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 2.152 5.060 -13.062 2 2H ALA 1 HT2 ALA 1 2.938 4.059 -11.949 3 3H ALA 1 HT3 ALA 1 2.433 5.622 -11.495 4 HA ALA 1 HA ALA 1 0.117 5.007 -11.823 5 1HB ALA 1 HB1 ALA 1 1.235 2.244 -12.380 6 2HB ALA 1 HB2 ALA 1 0.502 3.337 -13.549 7 3HB ALA 1 HB3 ALA 1 -0.484 2.667 -12.254 8 H CYS 2 HN CYS 2 -1.104 4.175 -10.162 9 HA CYS 2 HA CYS 2 0.453 3.880 -7.695 10 1HB CYS 2 HB2 CYS 2 -1.600 4.333 -6.575 11 2HB CYS 2 HB1 CYS 2 -1.302 5.549 -7.735 12 H GLY 3 HN GLY 3 0.542 2.121 -6.545 13 1HA GLY 3 HA2 GLY 3 -0.091 -0.397 -7.507 14 2HA GLY 3 HA1 GLY 3 0.359 -0.006 -5.855 15 H ILE 4 HN ILE 4 -1.538 -1.916 -6.804 16 HA ILE 4 HA ILE 4 -4.190 -0.842 -6.054 17 HB ILE 4 HB ILE 4 -5.003 -3.136 -6.736 18 1HG1 ILE 4 HG12 ILE 4 -2.128 -3.441 -7.676 19 2HG1 ILE 4 HG11 ILE 4 -2.909 -4.416 -6.425 20 1HG2 ILE 4 HG21 ILE 4 -3.505 -1.606 -8.883 21 2HG2 ILE 4 HG22 ILE 4 -5.080 -1.163 -8.209 22 3HG2 ILE 4 HG23 ILE 4 -4.904 -2.671 -9.086 23 1HD1 ILE 4 HD11 ILE 4 -4.509 -5.148 -8.253 24 2HD1 ILE 4 HD12 ILE 4 -2.841 -5.700 -8.350 25 3HD1 ILE 4 HD13 ILE 4 -3.385 -4.379 -9.378 26 H LEU 5 HN LEU 5 -5.515 -2.245 -4.794 27 HA LEU 5 HA LEU 5 -4.526 -2.278 -2.139 28 1HB LEU 5 HB2 LEU 5 -6.777 -3.106 -1.545 29 2HB LEU 5 HB1 LEU 5 -6.772 -1.684 -2.564 30 HG LEU 5 HG LEU 5 -6.942 -4.183 -4.126 31 1HD1 LEU 5 HD11 LEU 5 -9.231 -3.438 -2.319 32 2HD1 LEU 5 HD12 LEU 5 -8.220 -4.886 -2.155 33 3HD1 LEU 5 HD13 LEU 5 -9.215 -4.662 -3.587 34 1HD2 LEU 5 HD21 LEU 5 -8.634 -1.695 -4.062 35 2HD2 LEU 5 HD22 LEU 5 -8.624 -2.958 -5.288 36 3HD2 LEU 5 HD23 LEU 5 -7.219 -1.932 -5.092 37 H HIS 6 HN HIS 6 -3.647 -4.394 -4.285 38 HA HIS 6 HA HIS 6 -2.901 -6.285 -2.256 39 1HB HIS 6 HB2 HIS 6 -3.721 -8.261 -3.609 40 2HB HIS 6 HB1 HIS 6 -4.976 -7.306 -2.842 41 HD1 HIS 6 HD1 HIS 6 -3.657 -8.254 -6.213 42 HD2 HIS 6 HD2 HIS 6 -6.741 -6.041 -4.553 43 HE1 HIS 6 HE1 HIS 6 -5.218 -7.743 -8.105 44 HE2 HIS 6 HE2 HIS 6 -7.003 -6.278 -7.106 45 H ASP 7 HN ASP 7 -1.538 -4.371 -3.619 46 HA ASP 7 HA ASP 7 0.261 -6.075 -5.295 47 1HB ASP 7 HB2 ASP 7 -0.816 -3.939 -6.289 48 2HB ASP 7 HB1 ASP 7 0.307 -3.031 -5.336 49 H ASN 8 HN ASN 8 2.471 -5.727 -5.029 50 HA ASN 8 HA ASN 8 3.058 -5.882 -2.220 51 1HB ASN 8 HB2 ASN 8 4.794 -6.263 -4.659 52 2HB ASN 8 HB1 ASN 8 5.339 -6.547 -3.000 53 1HD2 ASN 8 HD21 ASN 8 5.062 -8.357 -5.334 54 2HD2 ASN 8 HD22 ASN 8 4.066 -9.640 -4.746 55 H CYS 9 HN CYS 9 4.125 -4.609 -1.003 56 HA CYS 9 HA CYS 9 5.980 -2.698 -1.559 57 1HB CYS 9 HB2 CYS 9 4.676 -0.562 -1.297 58 2HB CYS 9 HB1 CYS 9 4.392 -1.377 -2.808 59 H VAL 10 HN VAL 10 6.934 -2.360 0.219 60 HA VAL 10 HA VAL 10 5.796 -3.369 2.705 61 HB VAL 10 HB VAL 10 8.068 -2.939 3.643 62 1HG1 VAL 10 HG11 VAL 10 7.560 -5.078 2.613 63 2HG1 VAL 10 HG12 VAL 10 9.238 -4.596 2.398 64 3HG1 VAL 10 HG13 VAL 10 8.112 -4.451 1.050 65 1HG2 VAL 10 HG21 VAL 10 8.695 -0.949 2.321 66 2HG2 VAL 10 HG22 VAL 10 8.723 -1.938 0.856 67 3HG2 VAL 10 HG23 VAL 10 9.861 -2.245 2.152 68 H TYR 11 HN TYR 11 7.143 -1.788 4.505 69 HA TYR 11 HA TYR 11 5.256 0.219 4.981 70 1HB TYR 11 HB2 TYR 11 6.547 0.726 6.981 71 2HB TYR 11 HB1 TYR 11 6.403 -1.007 6.756 72 HD1 TYR 11 HD1 TYR 11 8.667 1.630 7.433 73 HD2 TYR 11 HD2 TYR 11 8.443 -2.220 5.586 74 HE1 TYR 11 HE1 TYR 11 11.086 1.370 7.654 75 HE2 TYR 11 HE2 TYR 11 10.861 -2.461 5.794 76 HH TYR 11 HH TYR 11 12.913 -0.615 6.022 77 H VAL 12 HN VAL 12 5.436 1.264 2.939 78 HA VAL 12 HA VAL 12 7.342 3.538 3.100 79 HB VAL 12 HB VAL 12 7.289 3.641 0.589 80 1HG1 VAL 12 HG11 VAL 12 9.244 2.829 1.817 81 2HG1 VAL 12 HG12 VAL 12 9.024 1.998 0.282 82 3HG1 VAL 12 HG13 VAL 12 8.585 1.185 1.782 83 1HG2 VAL 12 HG21 VAL 12 6.764 1.651 -0.658 84 2HG2 VAL 12 HG22 VAL 12 5.322 2.133 0.202 85 3HG2 VAL 12 HG23 VAL 12 6.296 0.788 0.788 86 HA PRO 13 HA PRO 13 3.060 5.142 3.165 87 1HB PRO 13 HB2 PRO 13 4.059 6.880 5.297 88 2HB PRO 13 HB1 PRO 13 2.787 5.659 5.330 89 1HG PRO 13 HG2 PRO 13 5.163 5.397 6.627 90 2HG PRO 13 HG1 PRO 13 4.194 4.021 6.067 91 1HD PRO 13 HD2 PRO 13 6.626 5.270 4.823 92 2HD PRO 13 HD1 PRO 13 6.157 3.589 5.036 93 H ALA 14 HN ALA 14 6.001 7.003 3.882 94 HA ALA 14 HA ALA 14 5.128 9.442 2.775 95 1HB ALA 14 HB1 ALA 14 6.941 9.267 4.389 96 2HB ALA 14 HB2 ALA 14 7.471 10.123 2.946 97 3HB ALA 14 HB3 ALA 14 7.957 8.437 3.215 98 H GLN 15 HN GLN 15 6.851 6.675 1.561 99 HA GLN 15 HA GLN 15 6.854 7.821 -1.194 100 1HB GLN 15 HB2 GLN 15 8.388 5.473 -0.025 101 2HB GLN 15 HB1 GLN 15 8.548 6.135 -1.668 102 1HG GLN 15 HG2 GLN 15 9.445 8.204 -0.792 103 2HG GLN 15 HG1 GLN 15 9.189 7.660 0.874 104 1HE2 GLN 15 HE21 GLN 15 10.566 6.084 1.751 105 2HE2 GLN 15 HE22 GLN 15 12.058 5.690 0.973 106 H ASN 16 HN ASN 16 4.476 7.004 -0.088 107 HA ASN 16 HA ASN 16 3.788 4.320 -0.624 108 1HB ASN 16 HB2 ASN 16 2.509 5.797 0.849 109 2HB ASN 16 HB1 ASN 16 1.961 6.748 -0.516 110 1HD2 ASN 16 HD21 ASN 16 0.314 5.411 1.386 111 2HD2 ASN 16 HD22 ASN 16 -0.537 4.175 0.531 112 HA PRO 17 HA PRO 17 3.593 4.949 -5.078 113 1HB PRO 17 HB2 PRO 17 4.165 2.422 -5.734 114 2HB PRO 17 HB1 PRO 17 5.378 3.473 -5.000 115 1HG PRO 17 HG2 PRO 17 3.804 1.275 -3.745 116 2HG PRO 17 HG1 PRO 17 5.488 1.758 -3.482 117 1HD PRO 17 HD2 PRO 17 3.272 2.484 -1.908 118 2HD PRO 17 HD1 PRO 17 4.912 3.123 -1.823 119 H CYS 18 HN CYS 18 1.543 3.536 -2.911 120 HA CYS 18 HA CYS 18 -0.138 2.059 -4.731 121 1HB CYS 18 HB2 CYS 18 0.424 1.324 -2.429 122 2HB CYS 18 HB1 CYS 18 -0.565 2.612 -1.787 123 H CYS 19 HN CYS 19 -2.386 2.462 -4.822 124 HA CYS 19 HA CYS 19 -3.002 5.117 -5.573 125 1HB CYS 19 HB2 CYS 19 -4.895 2.840 -4.966 126 2HB CYS 19 HB1 CYS 19 -5.303 4.314 -5.840 127 H ARG 20 HN ARG 20 -3.848 6.738 -4.702 128 HA ARG 20 HA ARG 20 -3.721 7.117 -1.925 129 1HB ARG 20 HB2 ARG 20 -3.551 8.912 -3.552 130 2HB ARG 20 HB1 ARG 20 -5.223 8.721 -4.046 131 1HG ARG 20 HG2 ARG 20 -4.499 9.350 -1.164 132 2HG ARG 20 HG1 ARG 20 -4.522 10.604 -2.400 133 1HD ARG 20 HD2 ARG 20 -6.854 10.089 -2.917 134 2HD ARG 20 HD1 ARG 20 -6.854 8.817 -1.736 135 HE ARG 20 HE ARG 20 -6.667 10.334 0.036 136 1HH1 ARG 20 HH11 ARG 20 -7.275 11.813 -3.108 137 2HH1 ARG 20 HH12 ARG 20 -7.918 13.242 -2.421 138 1HH2 ARG 20 HH21 ARG 20 -7.528 12.266 0.906 139 2HH2 ARG 20 HH22 ARG 20 -8.065 13.524 -0.156 140 H GLY 21 HN GLY 21 -4.941 6.473 -0.403 141 1HA GLY 21 HA2 GLY 21 -7.205 6.234 0.502 142 2HA GLY 21 HA1 GLY 21 -7.702 5.483 -1.009 143 H LEU 22 HN LEU 22 -4.793 4.338 -0.899 144 HA LEU 22 HA LEU 22 -5.416 2.042 0.902 145 1HB LEU 22 HB2 LEU 22 -3.805 2.012 -1.640 146 2HB LEU 22 HB1 LEU 22 -4.344 0.623 -0.694 147 HG LEU 22 HG LEU 22 -6.157 2.479 -2.243 148 1HD1 LEU 22 HD11 LEU 22 -5.095 -0.243 -2.939 149 2HD1 LEU 22 HD12 LEU 22 -4.771 1.250 -3.784 150 3HD1 LEU 22 HD13 LEU 22 -6.394 0.575 -3.781 151 1HD2 LEU 22 HD21 LEU 22 -7.300 1.438 -0.353 152 2HD2 LEU 22 HD22 LEU 22 -6.678 -0.153 -0.838 153 3HD2 LEU 22 HD23 LEU 22 -7.810 0.710 -1.867 154 H GLN 23 HN GLN 23 -3.599 0.969 1.750 155 HA GLN 23 HA GLN 23 -1.189 2.690 2.085 156 1HB GLN 23 HB2 GLN 23 -2.778 1.300 4.275 157 2HB GLN 23 HB1 GLN 23 -1.201 2.056 4.524 158 1HG GLN 23 HG2 GLN 23 -3.661 3.505 3.594 159 2HG GLN 23 HG1 GLN 23 -3.160 3.396 5.263 160 1HE2 GLN 23 HE21 GLN 23 -2.537 4.805 2.127 161 2HE2 GLN 23 HE22 GLN 23 -1.402 5.953 2.672 162 H CYS 24 HN CYS 24 0.632 1.762 2.036 163 HA CYS 24 HA CYS 24 0.806 -1.075 1.441 164 1HB CYS 24 HB2 CYS 24 2.828 1.130 1.513 165 2HB CYS 24 HB1 CYS 24 3.253 -0.543 1.200 166 H ARG 25 HN ARG 25 0.888 -2.515 2.869 167 HA ARG 25 HA ARG 25 2.228 -1.977 5.468 168 1HB ARG 25 HB2 ARG 25 -0.102 -2.590 5.681 169 2HB ARG 25 HB1 ARG 25 0.115 -4.012 4.655 170 1HG ARG 25 HG2 ARG 25 1.572 -5.026 6.373 171 2HG ARG 25 HG1 ARG 25 1.405 -3.576 7.377 172 1HD ARG 25 HD2 ARG 25 -0.885 -4.012 7.713 173 2HD ARG 25 HD1 ARG 25 -0.931 -5.253 6.464 174 HE ARG 25 HE ARG 25 0.614 -6.588 7.892 175 1HH1 ARG 25 HH11 ARG 25 -1.501 -4.178 9.372 176 2HH1 ARG 25 HH12 ARG 25 -1.612 -5.049 10.841 177 1HH2 ARG 25 HH21 ARG 25 0.444 -7.689 9.855 178 2HH2 ARG 25 HH22 ARG 25 -0.519 -7.035 11.138 179 H TYR 26 HN TYR 26 3.406 -3.727 6.361 180 HA TYR 26 HA TYR 26 5.525 -4.587 4.955 181 1HB TYR 26 HB2 TYR 26 4.138 -5.936 7.275 182 2HB TYR 26 HB1 TYR 26 5.667 -6.543 6.633 183 HD1 TYR 26 HD1 TYR 26 7.729 -5.150 6.786 184 HD2 TYR 26 HD2 TYR 26 4.054 -3.951 8.618 185 HE1 TYR 26 HE1 TYR 26 8.940 -3.554 8.181 186 HE2 TYR 26 HE2 TYR 26 5.286 -2.384 10.043 187 HH TYR 26 HH TYR 26 7.907 -2.287 10.890 188 H GLY 27 HN GLY 27 5.203 -5.221 2.975 189 1HA GLY 27 HA2 GLY 27 5.401 -7.364 1.810 190 2HA GLY 27 HA1 GLY 27 3.871 -7.848 2.517 191 H LYS 28 HN LYS 28 2.286 -5.677 2.202 192 HA LYS 28 HA LYS 28 2.301 -4.797 -0.558 193 1HB LYS 28 HB2 LYS 28 0.327 -6.045 -1.275 194 2HB LYS 28 HB1 LYS 28 1.653 -7.127 -0.881 195 1HG LYS 28 HG2 LYS 28 0.599 -7.596 1.297 196 2HG LYS 28 HG1 LYS 28 -0.750 -6.514 0.870 197 1HD LYS 28 HD2 LYS 28 -1.285 -7.935 -1.066 198 2HD LYS 28 HD1 LYS 28 0.051 -9.022 -0.642 199 1HE LYS 28 HE2 LYS 28 -1.050 -9.486 1.515 200 2HE LYS 28 HE1 LYS 28 -2.396 -8.439 1.034 201 1HZ LYS 28 HZ1 LYS 28 -2.876 -10.745 0.648 202 2HZ LYS 28 HZ2 LYS 28 -1.540 -10.927 -0.366 203 3HZ LYS 28 HZ3 LYS 28 -2.836 -9.924 -0.828 204 H CYS 29 HN CYS 29 0.354 -3.787 -1.197 205 HA CYS 29 HA CYS 29 -0.538 -1.995 0.887 206 1HB CYS 29 HB2 CYS 29 0.169 -1.114 -1.272 207 2HB CYS 29 HB1 CYS 29 -1.063 -1.990 -2.088 208 H LEU 30 HN LEU 30 -2.464 -1.764 1.650 209 HA LEU 30 HA LEU 30 -4.715 -3.365 0.556 210 1HB LEU 30 HB2 LEU 30 -3.883 -3.132 3.475 211 2HB LEU 30 HB1 LEU 30 -5.397 -3.849 2.919 212 HG LEU 30 HG LEU 30 -2.637 -4.937 2.284 213 1HD1 LEU 30 HD11 LEU 30 -3.158 -5.111 4.670 214 2HD1 LEU 30 HD12 LEU 30 -3.151 -6.673 3.860 215 3HD1 LEU 30 HD13 LEU 30 -4.688 -5.915 4.272 216 1HD2 LEU 30 HD21 LEU 30 -4.236 -5.537 0.552 217 2HD2 LEU 30 HD22 LEU 30 -5.423 -6.021 1.766 218 3HD2 LEU 30 HD23 LEU 30 -3.924 -6.922 1.577 219 H VAL 31 HN VAL 31 -6.747 -2.676 1.621 220 HA VAL 31 HA VAL 31 -7.157 0.097 1.221 221 HB VAL 31 HB VAL 31 -9.429 -0.266 2.119 222 1HG1 VAL 31 HG11 VAL 31 -8.536 -2.478 0.258 223 2HG1 VAL 31 HG12 VAL 31 -8.972 -0.827 -0.217 224 3HG1 VAL 31 HG13 VAL 31 -10.180 -1.888 0.494 225 1HG2 VAL 31 HG21 VAL 31 -9.070 -1.778 3.947 226 2HG2 VAL 31 HG22 VAL 31 -8.341 -2.996 2.892 227 3HG2 VAL 31 HG23 VAL 31 -10.050 -2.615 2.759 228 H GLN 32 HN GLN 32 -7.268 1.789 2.514 229 HA GLN 32 HA GLN 32 -6.021 1.424 5.159 230 1HB GLN 32 HB2 GLN 32 -5.421 3.625 5.121 231 2HB GLN 32 HB1 GLN 32 -5.383 3.180 3.405 232 1HG GLN 32 HG2 GLN 32 -7.513 4.282 3.035 233 2HG GLN 32 HG1 GLN 32 -7.631 4.680 4.736 234 1HE2 GLN 32 HE21 GLN 32 -7.732 6.853 4.518 235 2HE2 GLN 32 HE22 GLN 32 -6.371 7.768 3.977 236 H VAL 33 HN VAL 33 -7.231 1.004 6.743 237 HA VAL 33 HA VAL 33 -9.999 1.979 6.941 238 HB VAL 33 HB VAL 33 -10.008 0.807 9.157 239 1HG1 VAL 33 HG11 VAL 33 -10.041 -1.427 8.251 240 2HG1 VAL 33 HG12 VAL 33 -9.157 -0.910 6.817 241 3HG1 VAL 33 HG13 VAL 33 -10.795 -0.305 7.122 242 1HG2 VAL 33 HG21 VAL 33 -8.201 -0.709 9.708 243 2HG2 VAL 33 HG22 VAL 33 -7.584 0.927 9.689 244 3HG2 VAL 33 HG23 VAL 33 -7.249 -0.164 8.341 245 1HG HSL 34 HG1 HSL 34 -5.607 7.290 7.017 246 2HG HSL 34 HG2 HSL 34 -6.203 7.633 8.655 247 H HSL 34 HN HSL 34 -8.766 4.048 6.566 248 HA HSL 34 HA HSL 34 -8.562 5.382 8.820 249 1HB HSL 34 HB1 HSL 34 -6.114 5.117 7.189 250 2HB HSL 34 HB2 HSL 34 -6.297 5.410 8.922 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 1.527 5.469 -10.722 2 2H ALA 1 HT2 ALA 1 3.098 5.287 -11.306 3 3H ALA 1 HT3 ALA 1 2.857 5.859 -9.732 4 HA ALA 1 HA ALA 1 2.210 3.147 -10.776 5 1HB ALA 1 HB1 ALA 1 4.361 4.022 -8.827 6 2HB ALA 1 HB2 ALA 1 4.594 3.538 -10.504 7 3HB ALA 1 HB3 ALA 1 4.024 2.354 -9.333 8 H CYS 2 HN CYS 2 0.188 3.048 -10.053 9 HA CYS 2 HA CYS 2 -0.397 3.588 -7.216 10 1HB CYS 2 HB2 CYS 2 -1.982 3.171 -9.676 11 2HB CYS 2 HB1 CYS 2 -2.732 2.617 -8.202 12 H GLY 3 HN GLY 3 0.261 2.131 -5.899 13 1HA GLY 3 HA2 GLY 3 0.187 -0.680 -6.342 14 2HA GLY 3 HA1 GLY 3 0.372 0.139 -4.818 15 H ILE 4 HN ILE 4 -1.557 -1.874 -6.403 16 HA ILE 4 HA ILE 4 -4.153 -0.912 -5.498 17 HB ILE 4 HB ILE 4 -5.028 -3.008 -6.557 18 1HG1 ILE 4 HG12 ILE 4 -2.165 -3.418 -7.424 19 2HG1 ILE 4 HG11 ILE 4 -2.964 -4.426 -6.202 20 1HG2 ILE 4 HG21 ILE 4 -3.236 -1.357 -8.356 21 2HG2 ILE 4 HG22 ILE 4 -4.843 -0.890 -7.780 22 3HG2 ILE 4 HG23 ILE 4 -4.666 -2.293 -8.817 23 1HD1 ILE 4 HD11 ILE 4 -4.575 -5.076 -7.975 24 2HD1 ILE 4 HD12 ILE 4 -2.902 -5.545 -8.260 25 3HD1 ILE 4 HD13 ILE 4 -3.579 -4.173 -9.129 26 H LEU 5 HN LEU 5 -5.595 -2.820 -4.686 27 HA LEU 5 HA LEU 5 -4.809 -2.899 -1.933 28 1HB LEU 5 HB2 LEU 5 -7.023 -3.693 -1.495 29 2HB LEU 5 HB1 LEU 5 -7.073 -2.425 -2.696 30 HG LEU 5 HG LEU 5 -7.001 -4.654 -4.319 31 1HD1 LEU 5 HD11 LEU 5 -8.551 -5.371 -1.820 32 2HD1 LEU 5 HD12 LEU 5 -7.224 -6.270 -2.560 33 3HD1 LEU 5 HD13 LEU 5 -8.756 -6.143 -3.386 34 1HD2 LEU 5 HD21 LEU 5 -9.468 -3.299 -3.233 35 2HD2 LEU 5 HD22 LEU 5 -9.322 -4.232 -4.720 36 3HD2 LEU 5 HD23 LEU 5 -8.460 -2.706 -4.566 37 H HIS 6 HN HIS 6 -3.795 -4.820 -4.279 38 HA HIS 6 HA HIS 6 -2.812 -6.718 -2.344 39 1HB HIS 6 HB2 HIS 6 -3.455 -8.688 -3.796 40 2HB HIS 6 HB1 HIS 6 -4.796 -7.901 -2.982 41 HD1 HIS 6 HD1 HIS 6 -3.428 -8.584 -6.395 42 HD2 HIS 6 HD2 HIS 6 -6.652 -6.686 -4.640 43 HE1 HIS 6 HE1 HIS 6 -5.036 -8.103 -8.261 44 HE2 HIS 6 HE2 HIS 6 -6.985 -6.953 -7.166 45 H ASP 7 HN ASP 7 -1.644 -4.635 -3.492 46 HA ASP 7 HA ASP 7 0.167 -5.899 -5.497 47 1HB ASP 7 HB2 ASP 7 -1.031 -3.882 -6.243 48 2HB ASP 7 HB1 ASP 7 -0.277 -2.910 -5.030 49 H ASN 8 HN ASN 8 2.239 -5.891 -5.151 50 HA ASN 8 HA ASN 8 3.037 -6.017 -2.412 51 1HB ASN 8 HB2 ASN 8 4.614 -6.257 -4.996 52 2HB ASN 8 HB1 ASN 8 5.311 -6.556 -3.398 53 1HD2 ASN 8 HD21 ASN 8 4.871 -8.318 -5.775 54 2HD2 ASN 8 HD22 ASN 8 4.000 -9.660 -5.125 55 H CYS 9 HN CYS 9 3.937 -4.599 -1.178 56 HA CYS 9 HA CYS 9 5.529 -2.401 -2.231 57 1HB CYS 9 HB2 CYS 9 4.248 -0.662 -1.319 58 2HB CYS 9 HB1 CYS 9 3.094 -1.643 -2.177 59 H VAL 10 HN VAL 10 6.963 -1.646 -0.918 60 HA VAL 10 HA VAL 10 7.312 -2.844 1.752 61 HB VAL 10 HB VAL 10 9.300 -2.587 0.349 62 1HG1 VAL 10 HG11 VAL 10 10.195 -0.482 -0.289 63 2HG1 VAL 10 HG12 VAL 10 8.926 0.415 0.523 64 3HG1 VAL 10 HG13 VAL 10 8.559 -0.552 -0.912 65 1HG2 VAL 10 HG21 VAL 10 9.411 -2.389 2.870 66 2HG2 VAL 10 HG22 VAL 10 9.503 -0.631 2.650 67 3HG2 VAL 10 HG23 VAL 10 10.740 -1.674 1.969 68 H TYR 11 HN TYR 11 7.090 -1.757 3.587 69 HA TYR 11 HA TYR 11 5.023 0.220 3.556 70 1HB TYR 11 HB2 TYR 11 4.927 0.008 5.919 71 2HB TYR 11 HB1 TYR 11 5.158 -1.577 5.232 72 HD1 TYR 11 HD1 TYR 11 7.674 -2.416 5.091 73 HD2 TYR 11 HD2 TYR 11 6.302 0.660 7.730 74 HE1 TYR 11 HE1 TYR 11 9.604 -2.790 6.533 75 HE2 TYR 11 HE2 TYR 11 8.190 0.216 9.209 76 HH TYR 11 HH TYR 11 10.871 -1.064 8.324 77 H VAL 12 HN VAL 12 6.046 1.779 2.331 78 HA VAL 12 HA VAL 12 7.559 3.670 4.036 79 HB VAL 12 HB VAL 12 8.649 4.570 1.987 80 1HG1 VAL 12 HG11 VAL 12 9.288 1.680 2.617 81 2HG1 VAL 12 HG12 VAL 12 9.848 3.093 3.531 82 3HG1 VAL 12 HG13 VAL 12 10.351 2.866 1.860 83 1HG2 VAL 12 HG21 VAL 12 7.287 3.794 0.195 84 2HG2 VAL 12 HG22 VAL 12 7.414 2.121 0.712 85 3HG2 VAL 12 HG23 VAL 12 8.808 2.944 0.062 86 HA PRO 13 HA PRO 13 3.740 5.840 3.071 87 1HB PRO 13 HB2 PRO 13 4.022 7.665 5.072 88 2HB PRO 13 HB1 PRO 13 3.445 6.018 5.323 89 1HG PRO 13 HG2 PRO 13 6.188 7.129 5.783 90 2HG PRO 13 HG1 PRO 13 5.215 6.050 6.801 91 1HD PRO 13 HD2 PRO 13 7.198 5.185 5.210 92 2HD PRO 13 HD1 PRO 13 5.782 4.175 5.601 93 H ALA 14 HN ALA 14 6.928 7.162 3.699 94 HA ALA 14 HA ALA 14 6.672 9.787 2.978 95 1HB ALA 14 HB1 ALA 14 9.044 7.977 2.441 96 2HB ALA 14 HB2 ALA 14 8.671 8.799 3.952 97 3HB ALA 14 HB3 ALA 14 9.073 9.749 2.526 98 H GLN 15 HN GLN 15 7.650 7.096 0.928 99 HA GLN 15 HA GLN 15 6.459 8.526 -1.418 100 1HB GLN 15 HB2 GLN 15 9.049 8.066 -1.262 101 2HB GLN 15 HB1 GLN 15 8.641 6.416 -1.685 102 1HG GLN 15 HG2 GLN 15 7.988 8.913 -3.303 103 2HG GLN 15 HG1 GLN 15 9.301 7.784 -3.605 104 1HE2 GLN 15 HE21 GLN 15 5.872 8.330 -3.873 105 2HE2 GLN 15 HE22 GLN 15 5.561 6.942 -4.852 106 H ASN 16 HN ASN 16 4.689 7.488 -0.124 107 HA ASN 16 HA ASN 16 4.209 4.766 -0.089 108 1HB ASN 16 HB2 ASN 16 2.838 6.519 1.008 109 2HB ASN 16 HB1 ASN 16 2.102 6.898 -0.541 110 1HD2 ASN 16 HD21 ASN 16 2.327 4.627 2.081 111 2HD2 ASN 16 HD22 ASN 16 0.992 3.655 1.588 112 HA PRO 17 HA PRO 17 3.998 3.992 -4.490 113 1HB PRO 17 HB2 PRO 17 4.108 1.322 -4.322 114 2HB PRO 17 HB1 PRO 17 5.485 2.334 -3.873 115 1HG PRO 17 HG2 PRO 17 3.428 1.096 -2.070 116 2HG PRO 17 HG1 PRO 17 5.203 1.068 -1.937 117 1HD PRO 17 HD2 PRO 17 3.619 2.781 -0.566 118 2HD PRO 17 HD1 PRO 17 5.298 3.164 -1.046 119 H CYS 18 HN CYS 18 1.763 3.226 -2.045 120 HA CYS 18 HA CYS 18 -0.104 1.767 -3.658 121 1HB CYS 18 HB2 CYS 18 -0.511 3.000 -0.924 122 2HB CYS 18 HB1 CYS 18 -1.473 1.758 -1.699 123 H CYS 19 HN CYS 19 -2.028 2.430 -4.377 124 HA CYS 19 HA CYS 19 -2.130 5.105 -5.369 125 1HB CYS 19 HB2 CYS 19 -3.234 2.832 -6.212 126 2HB CYS 19 HB1 CYS 19 -4.602 3.384 -5.289 127 H ARG 20 HN ARG 20 -3.503 6.717 -4.881 128 HA ARG 20 HA ARG 20 -3.564 7.294 -2.138 129 1HB ARG 20 HB2 ARG 20 -3.490 8.911 -4.063 130 2HB ARG 20 HB1 ARG 20 -5.221 8.720 -4.279 131 1HG ARG 20 HG2 ARG 20 -3.908 9.640 -1.681 132 2HG ARG 20 HG1 ARG 20 -4.451 10.723 -2.959 133 1HD ARG 20 HD2 ARG 20 -6.704 10.115 -2.687 134 2HD ARG 20 HD1 ARG 20 -6.323 8.754 -1.643 135 HE ARG 20 HE ARG 20 -5.344 11.023 -0.374 136 1HH1 ARG 20 HH11 ARG 20 -8.458 9.768 -1.427 137 2HH1 ARG 20 HH12 ARG 20 -9.291 10.417 -0.071 138 1HH2 ARG 20 HH21 ARG 20 -6.473 11.865 1.403 139 2HH2 ARG 20 HH22 ARG 20 -8.181 11.612 1.542 140 H GLY 21 HN GLY 21 -4.717 6.434 -0.697 141 1HA GLY 21 HA2 GLY 21 -7.000 6.316 0.214 142 2HA GLY 21 HA1 GLY 21 -7.521 5.565 -1.286 143 H LEU 22 HN LEU 22 -4.607 4.330 -1.054 144 HA LEU 22 HA LEU 22 -5.464 2.037 0.632 145 1HB LEU 22 HB2 LEU 22 -3.536 2.075 -1.702 146 2HB LEU 22 HB1 LEU 22 -4.045 0.651 -0.788 147 HG LEU 22 HG LEU 22 -5.825 2.369 -2.547 148 1HD1 LEU 22 HD11 LEU 22 -4.524 -0.312 -2.955 149 2HD1 LEU 22 HD12 LEU 22 -4.419 1.140 -3.956 150 3HD1 LEU 22 HD13 LEU 22 -5.918 0.235 -3.881 151 1HD2 LEU 22 HD21 LEU 22 -7.116 1.432 -0.693 152 2HD2 LEU 22 HD22 LEU 22 -6.417 -0.170 -1.013 153 3HD2 LEU 22 HD23 LEU 22 -7.474 0.588 -2.190 154 H GLN 23 HN GLN 23 -4.111 1.114 1.969 155 HA GLN 23 HA GLN 23 -1.823 2.780 2.872 156 1HB GLN 23 HB2 GLN 23 -3.631 2.432 4.446 157 2HB GLN 23 HB1 GLN 23 -3.489 0.712 4.378 158 1HG GLN 23 HG2 GLN 23 -1.169 1.013 5.312 159 2HG GLN 23 HG1 GLN 23 -1.497 2.749 5.429 160 1HE2 GLN 23 HE21 GLN 23 -0.858 0.796 7.525 161 2HE2 GLN 23 HE22 GLN 23 -2.189 0.915 8.620 162 H CYS 24 HN CYS 24 0.121 1.955 3.080 163 HA CYS 24 HA CYS 24 0.591 -0.632 1.747 164 1HB CYS 24 HB2 CYS 24 1.876 1.328 0.992 165 2HB CYS 24 HB1 CYS 24 2.547 1.520 2.573 166 H ARG 25 HN ARG 25 0.367 -2.234 3.012 167 HA ARG 25 HA ARG 25 1.763 -2.279 5.631 168 1HB ARG 25 HB2 ARG 25 -0.119 -4.204 4.204 169 2HB ARG 25 HB1 ARG 25 0.709 -4.634 5.705 170 1HG ARG 25 HG2 ARG 25 -1.295 -2.381 5.321 171 2HG ARG 25 HG1 ARG 25 -1.565 -3.936 6.109 172 1HD ARG 25 HD2 ARG 25 0.283 -3.346 7.725 173 2HD ARG 25 HD1 ARG 25 0.245 -1.710 7.027 174 HE ARG 25 HE ARG 25 -2.369 -2.421 7.830 175 1HH1 ARG 25 HH11 ARG 25 0.765 -1.539 9.162 176 2HH1 ARG 25 HH12 ARG 25 0.092 -0.981 10.642 177 1HH2 ARG 25 HH21 ARG 25 -3.223 -1.659 9.794 178 2HH2 ARG 25 HH22 ARG 25 -2.163 -1.040 11.016 179 H TYR 26 HN TYR 26 3.522 -3.359 5.967 180 HA TYR 26 HA TYR 26 5.366 -3.619 3.938 181 1HB TYR 26 HB2 TYR 26 6.764 -4.962 5.512 182 2HB TYR 26 HB1 TYR 26 6.093 -3.497 6.172 183 HD1 TYR 26 HD1 TYR 26 4.341 -3.509 7.903 184 HD2 TYR 26 HD2 TYR 26 6.105 -7.130 6.449 185 HE1 TYR 26 HE1 TYR 26 3.488 -4.716 9.852 186 HE2 TYR 26 HE2 TYR 26 5.245 -8.322 8.402 187 HH TYR 26 HH TYR 26 4.571 -7.468 10.951 188 H GLY 27 HN GLY 27 4.879 -4.615 2.201 189 1HA GLY 27 HA2 GLY 27 5.322 -6.929 1.308 190 2HA GLY 27 HA1 GLY 27 3.964 -7.452 2.293 191 H LYS 28 HN LYS 28 2.235 -5.290 1.918 192 HA LYS 28 HA LYS 28 1.745 -4.991 -0.917 193 1HB LYS 28 HB2 LYS 28 -0.366 -6.258 -0.946 194 2HB LYS 28 HB1 LYS 28 1.023 -7.287 -0.598 195 1HG LYS 28 HG2 LYS 28 0.512 -7.281 1.771 196 2HG LYS 28 HG1 LYS 28 -0.869 -6.194 1.512 197 1HD LYS 28 HD2 LYS 28 -2.035 -7.850 0.227 198 2HD LYS 28 HD1 LYS 28 -0.637 -8.943 0.257 199 1HE LYS 28 HE2 LYS 28 -2.263 -8.053 2.651 200 2HE LYS 28 HE1 LYS 28 -2.299 -9.626 1.863 201 1HZ LYS 28 HZ1 LYS 28 -0.156 -8.453 3.518 202 2HZ LYS 28 HZ2 LYS 28 0.212 -9.689 2.410 203 3HZ LYS 28 HZ3 LYS 28 -0.913 -9.953 3.638 204 H CYS 29 HN CYS 29 0.050 -3.723 -1.441 205 HA CYS 29 HA CYS 29 -0.743 -1.752 0.524 206 1HB CYS 29 HB2 CYS 29 -1.532 -2.085 -2.363 207 2HB CYS 29 HB1 CYS 29 -1.924 -0.687 -1.374 208 H LEU 30 HN LEU 30 -2.623 -1.539 1.447 209 HA LEU 30 HA LEU 30 -4.849 -3.398 0.775 210 1HB LEU 30 HB2 LEU 30 -3.823 -2.619 3.532 211 2HB LEU 30 HB1 LEU 30 -5.317 -3.509 3.232 212 HG LEU 30 HG LEU 30 -2.530 -4.502 2.567 213 1HD1 LEU 30 HD11 LEU 30 -3.315 -4.268 5.050 214 2HD1 LEU 30 HD12 LEU 30 -2.559 -5.745 4.478 215 3HD1 LEU 30 HD13 LEU 30 -4.308 -5.667 4.664 216 1HD2 LEU 30 HD21 LEU 30 -3.742 -6.661 2.281 217 2HD2 LEU 30 HD22 LEU 30 -4.100 -5.488 1.038 218 3HD2 LEU 30 HD23 LEU 30 -5.265 -5.789 2.337 219 H VAL 31 HN VAL 31 -6.848 -2.701 1.530 220 HA VAL 31 HA VAL 31 -7.378 0.000 0.795 221 HB VAL 31 HB VAL 31 -9.745 -0.499 1.496 222 1HG1 VAL 31 HG11 VAL 31 -10.178 -2.003 -0.309 223 2HG1 VAL 31 HG12 VAL 31 -8.500 -2.525 -0.359 224 3HG1 VAL 31 HG13 VAL 31 -8.928 -0.865 -0.805 225 1HG2 VAL 31 HG21 VAL 31 -8.567 -3.232 2.119 226 2HG2 VAL 31 HG22 VAL 31 -10.271 -2.848 1.985 227 3HG2 VAL 31 HG23 VAL 31 -9.333 -2.136 3.273 228 H GLN 32 HN GLN 32 -6.964 1.675 1.894 229 HA GLN 32 HA GLN 32 -6.708 1.534 4.813 230 1HB GLN 32 HB2 GLN 32 -5.071 2.731 3.398 231 2HB GLN 32 HB1 GLN 32 -6.263 3.880 2.937 232 1HG GLN 32 HG2 GLN 32 -6.495 4.694 5.186 233 2HG GLN 32 HG1 GLN 32 -5.440 3.419 5.810 234 1HE2 GLN 32 HE21 GLN 32 -4.019 4.896 6.730 235 2HE2 GLN 32 HE22 GLN 32 -2.980 5.867 5.749 236 H VAL 33 HN VAL 33 -9.033 0.918 4.650 237 HA VAL 33 HA VAL 33 -10.616 3.315 5.331 238 HB VAL 33 HB VAL 33 -12.651 2.242 4.357 239 1HG1 VAL 33 HG11 VAL 33 -12.260 2.868 2.085 240 2HG1 VAL 33 HG12 VAL 33 -10.514 2.774 2.287 241 3HG1 VAL 33 HG13 VAL 33 -11.446 4.017 3.141 242 1HG2 VAL 33 HG21 VAL 33 -12.096 -0.062 4.207 243 2HG2 VAL 33 HG22 VAL 33 -10.642 0.263 3.259 244 3HG2 VAL 33 HG23 VAL 33 -12.235 0.513 2.554 245 1HG HSL 34 HG1 HSL 34 -13.959 3.236 10.534 246 2HG HSL 34 HG2 HSL 34 -12.931 2.054 11.371 247 H HSL 34 HN HSL 34 -12.284 2.930 6.740 248 HA HSL 34 HA HSL 34 -11.539 0.658 8.768 249 1HB HSL 34 HB1 HSL 34 -11.343 2.617 9.892 250 2HB HSL 34 HB2 HSL 34 -12.502 3.449 8.849 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 1.482 2.728 -13.542 2 2H ALA 1 HT2 ALA 1 2.709 2.444 -12.413 3 3H ALA 1 HT3 ALA 1 1.672 3.784 -12.238 4 HA ALA 1 HA ALA 1 -0.225 2.318 -11.949 5 1HB ALA 1 HB1 ALA 1 1.815 0.082 -12.041 6 2HB ALA 1 HB2 ALA 1 0.613 0.464 -13.268 7 3HB ALA 1 HB3 ALA 1 0.085 -0.095 -11.685 8 H CYS 2 HN CYS 2 -0.701 2.944 -10.060 9 HA CYS 2 HA CYS 2 1.203 2.994 -7.850 10 1HB CYS 2 HB2 CYS 2 -0.763 3.934 -6.602 11 2HB CYS 2 HB1 CYS 2 -0.263 4.845 -7.991 12 H GLY 3 HN GLY 3 0.868 1.996 -5.897 13 1HA GLY 3 HA2 GLY 3 0.382 -0.726 -5.958 14 2HA GLY 3 HA1 GLY 3 0.547 0.245 -4.511 15 H ILE 4 HN ILE 4 -1.383 -1.836 -5.886 16 HA ILE 4 HA ILE 4 -3.937 -0.664 -4.971 17 HB ILE 4 HB ILE 4 -5.003 -2.498 -6.310 18 1HG1 ILE 4 HG12 ILE 4 -2.189 -2.967 -7.306 19 2HG1 ILE 4 HG11 ILE 4 -3.077 -4.112 -6.295 20 1HG2 ILE 4 HG21 ILE 4 -4.692 -0.225 -7.194 21 2HG2 ILE 4 HG22 ILE 4 -4.695 -1.461 -8.437 22 3HG2 ILE 4 HG23 ILE 4 -3.165 -0.727 -7.934 23 1HD1 ILE 4 HD11 ILE 4 -3.631 -3.269 -9.125 24 2HD1 ILE 4 HD12 ILE 4 -4.743 -4.254 -8.159 25 3HD1 ILE 4 HD13 ILE 4 -3.123 -4.840 -8.519 26 H LEU 5 HN LEU 5 -5.451 -2.447 -4.381 27 HA LEU 5 HA LEU 5 -4.794 -3.075 -1.753 28 1HB LEU 5 HB2 LEU 5 -7.013 -4.137 -1.638 29 2HB LEU 5 HB1 LEU 5 -7.013 -2.545 -2.356 30 HG LEU 5 HG LEU 5 -6.852 -4.757 -4.327 31 1HD1 LEU 5 HD11 LEU 5 -8.401 -5.731 -2.689 32 2HD1 LEU 5 HD12 LEU 5 -9.181 -5.291 -4.202 33 3HD1 LEU 5 HD13 LEU 5 -9.393 -4.265 -2.784 34 1HD2 LEU 5 HD21 LEU 5 -8.507 -2.245 -4.118 35 2HD2 LEU 5 HD22 LEU 5 -8.464 -3.354 -5.484 36 3HD2 LEU 5 HD23 LEU 5 -7.029 -2.447 -5.065 37 H HIS 6 HN HIS 6 -3.838 -4.795 -4.413 38 HA HIS 6 HA HIS 6 -3.006 -6.994 -2.682 39 1HB HIS 6 HB2 HIS 6 -3.697 -8.683 -4.409 40 2HB HIS 6 HB1 HIS 6 -5.033 -7.890 -3.596 41 HD1 HIS 6 HD1 HIS 6 -3.397 -8.172 -6.969 42 HD2 HIS 6 HD2 HIS 6 -6.727 -6.438 -5.213 43 HE1 HIS 6 HE1 HIS 6 -4.836 -7.382 -8.868 44 HE2 HIS 6 HE2 HIS 6 -6.860 -6.362 -7.777 45 H ASP 7 HN ASP 7 -1.689 -4.783 -3.627 46 HA ASP 7 HA ASP 7 0.148 -5.981 -5.648 47 1HB ASP 7 HB2 ASP 7 -0.882 -3.892 -6.338 48 2HB ASP 7 HB1 ASP 7 -0.259 -3.041 -4.946 49 H ASN 8 HN ASN 8 2.139 -6.276 -5.177 50 HA ASN 8 HA ASN 8 3.099 -6.458 -2.556 51 1HB ASN 8 HB2 ASN 8 4.107 -7.647 -4.447 52 2HB ASN 8 HB1 ASN 8 4.689 -6.142 -5.150 53 1HD2 ASN 8 HD21 ASN 8 6.422 -5.018 -4.073 54 2HD2 ASN 8 HD22 ASN 8 7.417 -5.867 -2.948 55 H CYS 9 HN CYS 9 4.049 -5.104 -1.219 56 HA CYS 9 HA CYS 9 5.105 -2.549 -2.080 57 1HB CYS 9 HB2 CYS 9 2.653 -2.157 -2.021 58 2HB CYS 9 HB1 CYS 9 2.618 -2.603 -0.326 59 H VAL 10 HN VAL 10 6.393 -1.645 -0.737 60 HA VAL 10 HA VAL 10 6.964 -3.010 1.856 61 HB VAL 10 HB VAL 10 9.156 -1.838 1.758 62 1HG1 VAL 10 HG11 VAL 10 8.946 -4.137 0.929 63 2HG1 VAL 10 HG12 VAL 10 10.149 -3.210 0.040 64 3HG1 VAL 10 HG13 VAL 10 8.576 -3.519 -0.692 65 1HG2 VAL 10 HG21 VAL 10 8.552 0.103 0.361 66 2HG2 VAL 10 HG22 VAL 10 8.263 -0.971 -1.015 67 3HG2 VAL 10 HG23 VAL 10 9.873 -0.810 -0.342 68 H TYR 11 HN TYR 11 7.234 -1.814 3.674 69 HA TYR 11 HA TYR 11 5.159 0.173 3.899 70 1HB TYR 11 HB2 TYR 11 6.048 -1.622 5.592 71 2HB TYR 11 HB1 TYR 11 7.101 -0.357 6.158 72 HD1 TYR 11 HD1 TYR 11 6.045 1.800 6.979 73 HD2 TYR 11 HD2 TYR 11 3.763 -1.689 6.240 74 HE1 TYR 11 HE1 TYR 11 4.210 2.690 8.343 75 HE2 TYR 11 HE2 TYR 11 1.898 -0.796 7.512 76 HH TYR 11 HH TYR 11 1.482 2.227 8.331 77 H VAL 12 HN VAL 12 5.836 1.752 2.542 78 HA VAL 12 HA VAL 12 7.750 3.657 3.787 79 HB VAL 12 HB VAL 12 8.936 2.715 1.922 80 1HG1 VAL 12 HG11 VAL 12 6.793 3.615 0.015 81 2HG1 VAL 12 HG12 VAL 12 6.841 1.982 0.645 82 3HG1 VAL 12 HG13 VAL 12 8.186 2.599 -0.280 83 1HG2 VAL 12 HG21 VAL 12 7.960 5.395 0.959 84 2HG2 VAL 12 HG22 VAL 12 9.556 4.677 0.845 85 3HG2 VAL 12 HG23 VAL 12 8.968 5.232 2.405 86 HA PRO 13 HA PRO 13 3.514 5.386 3.496 87 1HB PRO 13 HB2 PRO 13 4.563 6.977 5.779 88 2HB PRO 13 HB1 PRO 13 3.104 5.992 5.632 89 1HG PRO 13 HG2 PRO 13 5.204 5.221 7.093 90 2HG PRO 13 HG1 PRO 13 4.194 4.050 6.222 91 1HD PRO 13 HD2 PRO 13 6.897 5.148 5.512 92 2HD PRO 13 HD1 PRO 13 6.235 3.509 5.392 93 H ALA 14 HN ALA 14 6.551 7.061 4.132 94 HA ALA 14 HA ALA 14 5.803 9.685 3.613 95 1HB ALA 14 HB1 ALA 14 7.910 9.024 4.629 96 2HB ALA 14 HB2 ALA 14 8.183 10.124 3.283 97 3HB ALA 14 HB3 ALA 14 8.492 8.386 3.095 98 H GLN 15 HN GLN 15 6.912 7.151 1.490 99 HA GLN 15 HA GLN 15 6.034 8.757 -0.872 100 1HB GLN 15 HB2 GLN 15 8.451 6.938 -0.552 101 2HB GLN 15 HB1 GLN 15 7.889 7.594 -2.104 102 1HG GLN 15 HG2 GLN 15 8.364 9.831 -1.430 103 2HG GLN 15 HG1 GLN 15 8.708 9.340 0.230 104 1HE2 GLN 15 HE21 GLN 15 10.380 10.788 -1.692 105 2HE2 GLN 15 HE22 GLN 15 11.813 9.831 -1.818 106 H ASN 16 HN ASN 16 4.295 7.359 0.424 107 HA ASN 16 HA ASN 16 3.919 4.682 -0.056 108 1HB ASN 16 HB2 ASN 16 2.468 6.025 1.360 109 2HB ASN 16 HB1 ASN 16 1.812 6.870 -0.036 110 1HD2 ASN 16 HD21 ASN 16 -0.301 6.206 0.432 111 2HD2 ASN 16 HD22 ASN 16 -0.798 4.567 0.235 112 HA PRO 17 HA PRO 17 3.883 4.816 -4.548 113 1HB PRO 17 HB2 PRO 17 4.148 2.166 -4.910 114 2HB PRO 17 HB1 PRO 17 5.459 3.145 -4.243 115 1HG PRO 17 HG2 PRO 17 3.444 1.483 -2.755 116 2HG PRO 17 HG1 PRO 17 5.214 1.485 -2.612 117 1HD PRO 17 HD2 PRO 17 3.641 2.837 -0.923 118 2HD PRO 17 HD1 PRO 17 5.255 3.434 -1.384 119 H CYS 18 HN CYS 18 1.629 3.677 -2.372 120 HA CYS 18 HA CYS 18 -0.104 2.272 -4.102 121 1HB CYS 18 HB2 CYS 18 -0.401 3.278 -1.312 122 2HB CYS 18 HB1 CYS 18 -1.622 2.401 -2.135 123 H CYS 19 HN CYS 19 -2.142 2.770 -4.647 124 HA CYS 19 HA CYS 19 -2.602 5.381 -5.700 125 1HB CYS 19 HB2 CYS 19 -4.700 3.258 -5.118 126 2HB CYS 19 HB1 CYS 19 -4.762 4.545 -6.325 127 H ARG 20 HN ARG 20 -3.733 7.020 -4.925 128 HA ARG 20 HA ARG 20 -3.612 7.499 -2.138 129 1HB ARG 20 HB2 ARG 20 -5.212 8.942 -4.281 130 2HB ARG 20 HB1 ARG 20 -4.908 9.561 -2.640 131 1HG ARG 20 HG2 ARG 20 -2.528 9.640 -3.062 132 2HG ARG 20 HG1 ARG 20 -2.741 8.905 -4.657 133 1HD ARG 20 HD2 ARG 20 -4.125 10.863 -5.317 134 2HD ARG 20 HD1 ARG 20 -3.746 11.601 -3.740 135 HE ARG 20 HE ARG 20 -1.350 10.842 -5.093 136 1HH1 ARG 20 HH11 ARG 20 -3.899 13.275 -5.196 137 2HH1 ARG 20 HH12 ARG 20 -2.870 14.454 -5.912 138 1HH2 ARG 20 HH21 ARG 20 -0.037 12.418 -6.032 139 2HH2 ARG 20 HH22 ARG 20 -0.683 13.984 -6.391 140 H GLY 21 HN GLY 21 -4.663 6.536 -0.691 141 1HA GLY 21 HA2 GLY 21 -6.927 6.369 0.327 142 2HA GLY 21 HA1 GLY 21 -7.479 5.646 -1.177 143 H LEU 22 HN LEU 22 -4.738 4.362 -1.357 144 HA LEU 22 HA LEU 22 -5.419 1.962 0.204 145 1HB LEU 22 HB2 LEU 22 -3.573 2.483 -2.138 146 2HB LEU 22 HB1 LEU 22 -3.543 0.997 -1.238 147 HG LEU 22 HG LEU 22 -4.778 0.756 -3.300 148 1HD1 LEU 22 HD11 LEU 22 -5.370 -0.574 -1.258 149 2HD1 LEU 22 HD12 LEU 22 -6.664 -0.363 -2.426 150 3HD1 LEU 22 HD13 LEU 22 -6.669 0.591 -0.954 151 1HD2 LEU 22 HD21 LEU 22 -6.881 2.608 -2.191 152 2HD2 LEU 22 HD22 LEU 22 -6.749 1.907 -3.794 153 3HD2 LEU 22 HD23 LEU 22 -5.636 3.167 -3.306 154 H GLN 23 HN GLN 23 -4.303 1.250 1.785 155 HA GLN 23 HA GLN 23 -1.974 2.844 2.695 156 1HB GLN 23 HB2 GLN 23 -3.919 2.768 4.179 157 2HB GLN 23 HB1 GLN 23 -3.823 1.006 4.266 158 1HG GLN 23 HG2 GLN 23 -1.627 1.160 5.354 159 2HG GLN 23 HG1 GLN 23 -1.638 2.920 5.168 160 1HE2 GLN 23 HE21 GLN 23 -2.969 0.182 6.895 161 2HE2 GLN 23 HE22 GLN 23 -3.670 1.128 8.159 162 H CYS 24 HN CYS 24 -0.133 2.044 2.429 163 HA CYS 24 HA CYS 24 0.271 -0.691 1.581 164 1HB CYS 24 HB2 CYS 24 1.542 1.040 0.525 165 2HB CYS 24 HB1 CYS 24 2.173 1.603 2.036 166 H ARG 25 HN ARG 25 0.823 -2.324 2.719 167 HA ARG 25 HA ARG 25 2.076 -1.901 5.371 168 1HB ARG 25 HB2 ARG 25 -0.193 -2.820 5.559 169 2HB ARG 25 HB1 ARG 25 0.262 -4.179 4.524 170 1HG ARG 25 HG2 ARG 25 2.042 -4.741 6.294 171 2HG ARG 25 HG1 ARG 25 1.283 -3.501 7.298 172 1HD ARG 25 HD2 ARG 25 -0.124 -5.931 6.170 173 2HD ARG 25 HD1 ARG 25 0.611 -5.799 7.761 174 HE ARG 25 HE ARG 25 -1.522 -3.893 6.978 175 1HH1 ARG 25 HH11 ARG 25 -0.421 -6.518 9.056 176 2HH1 ARG 25 HH12 ARG 25 -1.806 -6.424 10.057 177 1HH2 ARG 25 HH21 ARG 25 -3.347 -3.826 8.325 178 2HH2 ARG 25 HH22 ARG 25 -3.467 -4.917 9.665 179 H TYR 26 HN TYR 26 3.760 -3.149 5.859 180 HA TYR 26 HA TYR 26 5.619 -3.745 3.908 181 1HB TYR 26 HB2 TYR 26 6.744 -5.154 5.775 182 2HB TYR 26 HB1 TYR 26 6.511 -3.446 6.022 183 HD1 TYR 26 HD1 TYR 26 5.097 -2.615 7.798 184 HD2 TYR 26 HD2 TYR 26 5.282 -6.798 6.966 185 HE1 TYR 26 HE1 TYR 26 3.917 -3.080 9.879 186 HE2 TYR 26 HE2 TYR 26 4.087 -7.256 9.049 187 HH TYR 26 HH TYR 26 3.908 -5.804 11.414 188 H GLY 27 HN GLY 27 5.143 -4.957 2.309 189 1HA GLY 27 HA2 GLY 27 5.364 -7.393 1.734 190 2HA GLY 27 HA1 GLY 27 3.945 -7.658 2.740 191 H LYS 28 HN LYS 28 2.233 -5.762 2.162 192 HA LYS 28 HA LYS 28 1.990 -5.329 -0.703 193 1HB LYS 28 HB2 LYS 28 -0.047 -6.590 -1.030 194 2HB LYS 28 HB1 LYS 28 1.246 -7.660 -0.497 195 1HG LYS 28 HG2 LYS 28 0.346 -7.753 1.747 196 2HG LYS 28 HG1 LYS 28 -0.924 -6.579 1.336 197 1HD LYS 28 HD2 LYS 28 -1.813 -8.162 -0.356 198 2HD LYS 28 HD1 LYS 28 -0.586 -9.344 0.131 199 1HE LYS 28 HE2 LYS 28 -1.543 -9.484 2.344 200 2HE LYS 28 HE1 LYS 28 -2.689 -8.193 1.971 201 1HZ LYS 28 HZ1 LYS 28 -3.705 -10.339 1.807 202 2HZ LYS 28 HZ2 LYS 28 -2.594 -10.852 0.645 203 3HZ LYS 28 HZ3 LYS 28 -3.695 -9.603 0.287 204 H CYS 29 HN CYS 29 0.078 -4.255 -1.276 205 HA CYS 29 HA CYS 29 -0.459 -2.151 0.675 206 1HB CYS 29 HB2 CYS 29 0.225 -1.768 -1.722 207 2HB CYS 29 HB1 CYS 29 -1.352 -2.299 -2.196 208 H LEU 30 HN LEU 30 -2.330 -1.713 1.530 209 HA LEU 30 HA LEU 30 -4.642 -3.527 0.992 210 1HB LEU 30 HB2 LEU 30 -3.754 -2.419 3.680 211 2HB LEU 30 HB1 LEU 30 -5.117 -3.502 3.379 212 HG LEU 30 HG LEU 30 -2.187 -4.197 3.037 213 1HD1 LEU 30 HD11 LEU 30 -2.493 -5.593 4.957 214 2HD1 LEU 30 HD12 LEU 30 -4.190 -5.138 5.100 215 3HD1 LEU 30 HD13 LEU 30 -2.917 -3.940 5.384 216 1HD2 LEU 30 HD21 LEU 30 -3.354 -5.510 1.451 217 2HD2 LEU 30 HD22 LEU 30 -4.721 -5.774 2.535 218 3HD2 LEU 30 HD23 LEU 30 -3.168 -6.520 2.864 219 H VAL 31 HN VAL 31 -6.640 -2.697 1.813 220 HA VAL 31 HA VAL 31 -6.982 0.115 1.012 221 HB VAL 31 HB VAL 31 -9.100 -1.919 1.818 222 1HG1 VAL 31 HG11 VAL 31 -9.234 0.828 0.541 223 2HG1 VAL 31 HG12 VAL 31 -10.011 0.270 2.033 224 3HG1 VAL 31 HG13 VAL 31 -10.549 -0.340 0.482 225 1HG2 VAL 31 HG21 VAL 31 -8.196 -1.165 -0.967 226 2HG2 VAL 31 HG22 VAL 31 -9.522 -2.231 -0.531 227 3HG2 VAL 31 HG23 VAL 31 -7.875 -2.694 -0.141 228 H GLN 32 HN GLN 32 -7.433 1.718 2.337 229 HA GLN 32 HA GLN 32 -7.204 1.298 5.201 230 1HB GLN 32 HB2 GLN 32 -6.319 3.315 4.153 231 2HB GLN 32 HB1 GLN 32 -7.932 3.800 3.620 232 1HG GLN 32 HG2 GLN 32 -8.647 4.059 5.957 233 2HG GLN 32 HG1 GLN 32 -7.085 3.459 6.521 234 1HE2 GLN 32 HE21 GLN 32 -8.509 6.004 6.998 235 2HE2 GLN 32 HE22 GLN 32 -7.386 7.216 6.495 236 H VAL 33 HN VAL 33 -8.898 -0.286 5.079 237 HA VAL 33 HA VAL 33 -11.608 0.900 5.326 238 HB VAL 33 HB VAL 33 -11.545 -0.767 3.565 239 1HG1 VAL 33 HG11 VAL 33 -9.584 -2.080 4.429 240 2HG1 VAL 33 HG12 VAL 33 -10.943 -3.029 3.885 241 3HG1 VAL 33 HG13 VAL 33 -10.669 -2.828 5.603 242 1HG2 VAL 33 HG21 VAL 33 -12.926 -2.011 5.954 243 2HG2 VAL 33 HG22 VAL 33 -13.365 -2.088 4.256 244 3HG2 VAL 33 HG23 VAL 33 -13.533 -0.568 5.122 245 1HG HSL 34 HG1 HSL 34 -13.241 2.377 11.333 246 2HG HSL 34 HG2 HSL 34 -11.918 1.392 11.993 247 H HSL 34 HN HSL 34 -12.173 1.206 7.269 248 HA HSL 34 HA HSL 34 -11.020 -0.150 9.258 249 1HB HSL 34 HB1 HSL 34 -10.793 1.930 10.130 250 2HB HSL 34 HB2 HSL 34 -12.250 2.534 9.333 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 1.121 4.879 -13.153 2 2H ALA 1 HT2 ALA 1 2.013 5.406 -11.816 3 3H ALA 1 HT3 ALA 1 0.311 5.357 -11.751 4 HA ALA 1 HA ALA 1 0.335 2.955 -11.994 5 1HB ALA 1 HB1 ALA 1 3.351 3.238 -11.862 6 2HB ALA 1 HB2 ALA 1 2.399 2.811 -13.280 7 3HB ALA 1 HB3 ALA 1 2.444 1.713 -11.906 8 H CYS 2 HN CYS 2 -0.762 3.673 -10.184 9 HA CYS 2 HA CYS 2 0.738 3.882 -7.677 10 1HB CYS 2 HB2 CYS 2 -1.408 4.448 -6.684 11 2HB CYS 2 HB1 CYS 2 -1.030 5.473 -8.012 12 H GLY 3 HN GLY 3 0.724 2.431 -6.120 13 1HA GLY 3 HA2 GLY 3 0.375 -0.257 -6.582 14 2HA GLY 3 HA1 GLY 3 0.526 0.491 -5.000 15 H ILE 4 HN ILE 4 -1.220 -1.630 -6.297 16 HA ILE 4 HA ILE 4 -3.912 -0.606 -5.672 17 HB ILE 4 HB ILE 4 -4.710 -2.723 -6.756 18 1HG1 ILE 4 HG12 ILE 4 -1.795 -3.038 -7.542 19 2HG1 ILE 4 HG11 ILE 4 -2.629 -4.078 -6.379 20 1HG2 ILE 4 HG21 ILE 4 -2.948 -0.986 -8.498 21 2HG2 ILE 4 HG22 ILE 4 -4.581 -0.586 -7.948 22 3HG2 ILE 4 HG23 ILE 4 -4.334 -1.966 -9.001 23 1HD1 ILE 4 HD11 ILE 4 -4.164 -4.764 -8.183 24 2HD1 ILE 4 HD12 ILE 4 -2.471 -5.165 -8.453 25 3HD1 ILE 4 HD13 ILE 4 -3.191 -3.811 -9.315 26 H LEU 5 HN LEU 5 -5.382 -2.084 -4.799 27 HA LEU 5 HA LEU 5 -4.939 -2.435 -2.128 28 1HB LEU 5 HB2 LEU 5 -7.106 -3.499 -2.007 29 2HB LEU 5 HB1 LEU 5 -7.129 -2.163 -3.137 30 HG LEU 5 HG LEU 5 -6.831 -5.011 -4.101 31 1HD1 LEU 5 HD11 LEU 5 -8.873 -4.884 -2.793 32 2HD1 LEU 5 HD12 LEU 5 -9.171 -5.075 -4.516 33 3HD1 LEU 5 HD13 LEU 5 -9.395 -3.496 -3.764 34 1HD2 LEU 5 HD21 LEU 5 -7.469 -2.370 -5.409 35 2HD2 LEU 5 HD22 LEU 5 -7.944 -3.909 -6.124 36 3HD2 LEU 5 HD23 LEU 5 -6.254 -3.580 -5.836 37 H HIS 6 HN HIS 6 -3.970 -4.590 -4.567 38 HA HIS 6 HA HIS 6 -2.934 -6.395 -2.485 39 1HB HIS 6 HB2 HIS 6 -3.561 -8.373 -3.880 40 2HB HIS 6 HB1 HIS 6 -4.943 -7.503 -3.236 41 HD1 HIS 6 HD1 HIS 6 -3.103 -8.050 -6.492 42 HD2 HIS 6 HD2 HIS 6 -6.746 -6.658 -5.091 43 HE1 HIS 6 HE1 HIS 6 -4.504 -7.641 -8.531 44 HE2 HIS 6 HE2 HIS 6 -6.650 -6.652 -7.665 45 H ASP 7 HN ASP 7 -1.527 -4.494 -3.394 46 HA ASP 7 HA ASP 7 0.244 -5.722 -5.466 47 1HB ASP 7 HB2 ASP 7 -0.831 -3.365 -5.718 48 2HB ASP 7 HB1 ASP 7 0.371 -2.813 -4.619 49 H ASN 8 HN ASN 8 2.012 -6.513 -4.788 50 HA ASN 8 HA ASN 8 2.745 -6.684 -2.080 51 1HB ASN 8 HB2 ASN 8 3.418 -8.332 -3.742 52 2HB ASN 8 HB1 ASN 8 4.430 -7.162 -4.579 53 1HD2 ASN 8 HD21 ASN 8 6.425 -6.538 -3.619 54 2HD2 ASN 8 HD22 ASN 8 7.103 -7.467 -2.331 55 H CYS 9 HN CYS 9 3.843 -5.380 -0.807 56 HA CYS 9 HA CYS 9 5.638 -3.336 -1.713 57 1HB CYS 9 HB2 CYS 9 3.381 -2.431 -2.379 58 2HB CYS 9 HB1 CYS 9 2.913 -2.431 -0.687 59 H VAL 10 HN VAL 10 6.605 -2.216 -0.109 60 HA VAL 10 HA VAL 10 6.422 -3.461 2.571 61 HB VAL 10 HB VAL 10 8.604 -2.425 3.016 62 1HG1 VAL 10 HG11 VAL 10 8.521 -4.668 2.044 63 2HG1 VAL 10 HG12 VAL 10 9.935 -3.762 1.522 64 3HG1 VAL 10 HG13 VAL 10 8.577 -3.966 0.417 65 1HG2 VAL 10 HG21 VAL 10 9.841 -1.312 1.253 66 2HG2 VAL 10 HG22 VAL 10 8.393 -0.401 1.604 67 3HG2 VAL 10 HG23 VAL 10 8.473 -1.411 0.160 68 H TYR 11 HN TYR 11 7.048 -1.895 4.346 69 HA TYR 11 HA TYR 11 4.793 -0.054 4.452 70 1HB TYR 11 HB2 TYR 11 5.411 -1.639 6.268 71 2HB TYR 11 HB1 TYR 11 6.857 -0.716 6.593 72 HD1 TYR 11 HD1 TYR 11 6.756 1.245 7.958 73 HD2 TYR 11 HD2 TYR 11 3.125 -0.503 6.535 74 HE1 TYR 11 HE1 TYR 11 5.462 2.709 9.431 75 HE2 TYR 11 HE2 TYR 11 1.847 0.895 8.072 76 HH TYR 11 HH TYR 11 2.437 2.246 10.374 77 H VAL 12 HN VAL 12 5.693 1.287 2.777 78 HA VAL 12 HA VAL 12 7.513 3.353 3.920 79 HB VAL 12 HB VAL 12 8.212 3.864 1.564 80 1HG1 VAL 12 HG11 VAL 12 8.966 1.191 2.763 81 2HG1 VAL 12 HG12 VAL 12 9.734 2.758 3.042 82 3HG1 VAL 12 HG13 VAL 12 9.831 2.001 1.458 83 1HG2 VAL 12 HG21 VAL 12 6.461 2.711 0.297 84 2HG2 VAL 12 HG22 VAL 12 6.940 1.166 1.002 85 3HG2 VAL 12 HG23 VAL 12 8.031 2.027 -0.067 86 HA PRO 13 HA PRO 13 3.478 5.356 3.174 87 1HB PRO 13 HB2 PRO 13 4.226 6.921 5.547 88 2HB PRO 13 HB1 PRO 13 2.846 5.859 5.268 89 1HG PRO 13 HG2 PRO 13 4.859 5.254 6.965 90 2HG PRO 13 HG1 PRO 13 3.921 4.020 6.103 91 1HD PRO 13 HD2 PRO 13 6.653 5.114 5.490 92 2HD PRO 13 HD1 PRO 13 6.021 3.472 5.475 93 H ALA 14 HN ALA 14 6.628 6.622 4.023 94 HA ALA 14 HA ALA 14 6.350 9.321 3.531 95 1HB ALA 14 HB1 ALA 14 8.290 8.295 4.582 96 2HB ALA 14 HB2 ALA 14 8.777 9.360 3.268 97 3HB ALA 14 HB3 ALA 14 8.797 7.598 3.047 98 H GLN 15 HN GLN 15 6.833 6.653 1.354 99 HA GLN 15 HA GLN 15 6.012 8.406 -0.874 100 1HB GLN 15 HB2 GLN 15 8.458 8.152 -1.027 101 2HB GLN 15 HB1 GLN 15 8.326 6.409 -0.875 102 1HG GLN 15 HG2 GLN 15 8.752 7.189 -3.164 103 2HG GLN 15 HG1 GLN 15 7.300 6.225 -3.060 104 1HE2 GLN 15 HE21 GLN 15 6.386 7.085 -4.931 105 2HE2 GLN 15 HE22 GLN 15 5.854 8.727 -5.014 106 H ASN 16 HN ASN 16 4.189 7.241 0.332 107 HA ASN 16 HA ASN 16 3.613 4.544 -0.244 108 1HB ASN 16 HB2 ASN 16 2.341 5.866 1.380 109 2HB ASN 16 HB1 ASN 16 1.643 6.845 0.096 110 1HD2 ASN 16 HD21 ASN 16 -0.489 6.261 0.438 111 2HD2 ASN 16 HD22 ASN 16 -1.054 4.659 0.178 112 HA PRO 17 HA PRO 17 3.386 5.306 -4.682 113 1HB PRO 17 HB2 PRO 17 3.691 2.753 -5.434 114 2HB PRO 17 HB1 PRO 17 5.004 3.641 -4.655 115 1HG PRO 17 HG2 PRO 17 3.062 1.717 -3.386 116 2HG PRO 17 HG1 PRO 17 4.833 1.762 -3.286 117 1HD PRO 17 HD2 PRO 17 3.231 2.841 -1.401 118 2HD PRO 17 HD1 PRO 17 4.849 3.450 -1.755 119 H CYS 18 HN CYS 18 1.232 3.815 -2.596 120 HA CYS 18 HA CYS 18 -0.457 2.527 -4.459 121 1HB CYS 18 HB2 CYS 18 -0.756 3.157 -1.540 122 2HB CYS 18 HB1 CYS 18 -1.907 2.237 -2.481 123 H CYS 19 HN CYS 19 -2.469 2.972 -4.994 124 HA CYS 19 HA CYS 19 -3.135 5.641 -5.674 125 1HB CYS 19 HB2 CYS 19 -5.201 3.453 -5.268 126 2HB CYS 19 HB1 CYS 19 -5.185 4.773 -6.443 127 H ARG 20 HN ARG 20 -4.299 7.137 -4.675 128 HA ARG 20 HA ARG 20 -4.144 7.205 -1.841 129 1HB ARG 20 HB2 ARG 20 -5.381 8.969 -3.937 130 2HB ARG 20 HB1 ARG 20 -5.772 9.272 -2.248 131 1HG ARG 20 HG2 ARG 20 -3.889 10.620 -3.107 132 2HG ARG 20 HG1 ARG 20 -3.496 9.665 -1.678 133 1HD ARG 20 HD2 ARG 20 -2.457 7.963 -3.178 134 2HD ARG 20 HD1 ARG 20 -2.781 9.017 -4.553 135 HE ARG 20 HE ARG 20 -1.345 10.698 -3.283 136 1HH1 ARG 20 HH11 ARG 20 -0.821 7.202 -3.175 137 2HH1 ARG 20 HH12 ARG 20 0.832 7.382 -2.815 138 1HH2 ARG 20 HH21 ARG 20 0.861 10.856 -2.780 139 2HH2 ARG 20 HH22 ARG 20 1.810 9.421 -2.583 140 H GLY 21 HN GLY 21 -5.243 6.317 -0.429 141 1HA GLY 21 HA2 GLY 21 -7.478 5.768 0.456 142 2HA GLY 21 HA1 GLY 21 -7.901 5.133 -1.131 143 H LEU 22 HN LEU 22 -4.957 4.282 -1.245 144 HA LEU 22 HA LEU 22 -5.158 1.801 0.386 145 1HB LEU 22 HB2 LEU 22 -3.740 2.163 -2.268 146 2HB LEU 22 HB1 LEU 22 -3.996 0.661 -1.392 147 HG LEU 22 HG LEU 22 -6.198 2.320 -2.635 148 1HD1 LEU 22 HD11 LEU 22 -4.879 -0.168 -3.667 149 2HD1 LEU 22 HD12 LEU 22 -4.672 1.436 -4.354 150 3HD1 LEU 22 HD13 LEU 22 -6.248 0.652 -4.380 151 1HD2 LEU 22 HD21 LEU 22 -7.061 0.985 -0.840 152 2HD2 LEU 22 HD22 LEU 22 -6.140 -0.435 -1.366 153 3HD2 LEU 22 HD23 LEU 22 -7.460 0.187 -2.352 154 H GLN 23 HN GLN 23 -3.322 1.087 1.327 155 HA GLN 23 HA GLN 23 -0.951 2.851 1.256 156 1HB GLN 23 HB2 GLN 23 -2.479 3.493 3.148 157 2HB GLN 23 HB1 GLN 23 -2.245 1.885 3.839 158 1HG GLN 23 HG2 GLN 23 0.301 2.470 3.791 159 2HG GLN 23 HG1 GLN 23 -0.240 4.116 3.459 160 1HE2 GLN 23 HE21 GLN 23 -0.068 1.548 5.805 161 2HE2 GLN 23 HE22 GLN 23 -0.511 2.531 7.154 162 H CYS 24 HN CYS 24 0.857 1.893 1.314 163 HA CYS 24 HA CYS 24 1.119 -0.930 1.142 164 1HB CYS 24 HB2 CYS 24 3.127 1.278 1.536 165 2HB CYS 24 HB1 CYS 24 3.564 -0.421 1.412 166 H ARG 25 HN ARG 25 1.162 -2.374 2.609 167 HA ARG 25 HA ARG 25 2.385 -1.729 5.245 168 1HB ARG 25 HB2 ARG 25 0.072 -3.620 4.671 169 2HB ARG 25 HB1 ARG 25 0.898 -3.449 6.237 170 1HG ARG 25 HG2 ARG 25 0.170 -1.017 6.223 171 2HG ARG 25 HG1 ARG 25 -0.815 -1.407 4.803 172 1HD ARG 25 HD2 ARG 25 -2.142 -1.475 6.783 173 2HD ARG 25 HD1 ARG 25 -2.018 -3.090 6.122 174 HE ARG 25 HE ARG 25 -0.447 -2.059 8.449 175 1HH1 ARG 25 HH11 ARG 25 -2.252 -4.656 6.923 176 2HH1 ARG 25 HH12 ARG 25 -1.912 -5.773 8.157 177 1HH2 ARG 25 HH21 ARG 25 -0.031 -3.577 10.097 178 2HH2 ARG 25 HH22 ARG 25 -0.674 -5.181 9.975 179 H TYR 26 HN TYR 26 3.892 -2.937 5.854 180 HA TYR 26 HA TYR 26 5.641 -4.107 4.247 181 1HB TYR 26 HB2 TYR 26 6.453 -5.488 6.275 182 2HB TYR 26 HB1 TYR 26 6.390 -3.739 6.381 183 HD1 TYR 26 HD1 TYR 26 4.691 -2.611 7.770 184 HD2 TYR 26 HD2 TYR 26 4.952 -6.867 7.635 185 HE1 TYR 26 HE1 TYR 26 3.334 -2.737 9.769 186 HE2 TYR 26 HE2 TYR 26 3.581 -6.994 9.658 187 HH TYR 26 HH TYR 26 3.158 -5.194 11.727 188 H GLY 27 HN GLY 27 4.932 -5.260 2.649 189 1HA GLY 27 HA2 GLY 27 5.041 -7.751 2.198 190 2HA GLY 27 HA1 GLY 27 3.573 -7.857 3.164 191 H LYS 28 HN LYS 28 2.037 -5.876 2.450 192 HA LYS 28 HA LYS 28 1.873 -5.638 -0.451 193 1HB LYS 28 HB2 LYS 28 -0.337 -6.678 -0.660 194 2HB LYS 28 HB1 LYS 28 0.880 -7.837 -0.171 195 1HG LYS 28 HG2 LYS 28 -1.099 -6.533 1.743 196 2HG LYS 28 HG1 LYS 28 -1.315 -8.076 0.927 197 1HD LYS 28 HD2 LYS 28 1.079 -8.582 2.031 198 2HD LYS 28 HD1 LYS 28 0.527 -7.332 3.150 199 1HE LYS 28 HE2 LYS 28 -0.879 -9.926 2.481 200 2HE LYS 28 HE1 LYS 28 -0.029 -9.527 3.969 201 1HZ LYS 28 HZ1 LYS 28 -2.200 -9.170 4.516 202 2HZ LYS 28 HZ2 LYS 28 -2.628 -8.537 3.018 203 3HZ LYS 28 HZ3 LYS 28 -1.732 -7.599 4.114 204 H CYS 29 HN CYS 29 0.346 -4.287 -1.162 205 HA CYS 29 HA CYS 29 -0.265 -2.092 0.610 206 1HB CYS 29 HB2 CYS 29 0.516 -1.733 -1.685 207 2HB CYS 29 HB1 CYS 29 -0.913 -2.507 -2.315 208 H LEU 30 HN LEU 30 -2.073 -1.702 1.548 209 HA LEU 30 HA LEU 30 -4.442 -3.410 0.908 210 1HB LEU 30 HB2 LEU 30 -3.342 -2.626 3.632 211 2HB LEU 30 HB1 LEU 30 -4.874 -3.463 3.363 212 HG LEU 30 HG LEU 30 -2.137 -4.581 2.680 213 1HD1 LEU 30 HD11 LEU 30 -2.041 -4.819 4.883 214 2HD1 LEU 30 HD12 LEU 30 -3.133 -6.165 4.622 215 3HD1 LEU 30 HD13 LEU 30 -3.770 -4.616 5.155 216 1HD2 LEU 30 HD21 LEU 30 -3.411 -6.686 2.443 217 2HD2 LEU 30 HD22 LEU 30 -3.826 -5.514 1.213 218 3HD2 LEU 30 HD23 LEU 30 -4.918 -5.793 2.582 219 H VAL 31 HN VAL 31 -6.390 -2.604 1.614 220 HA VAL 31 HA VAL 31 -6.725 0.229 1.126 221 HB VAL 31 HB VAL 31 -8.831 -1.608 2.327 222 1HG1 VAL 31 HG11 VAL 31 -9.056 0.825 0.533 223 2HG1 VAL 31 HG12 VAL 31 -9.322 0.834 2.279 224 3HG1 VAL 31 HG13 VAL 31 -10.370 -0.108 1.235 225 1HG2 VAL 31 HG21 VAL 31 -7.923 -2.738 0.342 226 2HG2 VAL 31 HG22 VAL 31 -8.213 -1.285 -0.612 227 3HG2 VAL 31 HG23 VAL 31 -9.557 -2.151 0.099 228 H GLN 32 HN GLN 32 -6.116 1.600 2.510 229 HA GLN 32 HA GLN 32 -5.125 1.086 5.040 230 1HB GLN 32 HB2 GLN 32 -5.168 3.536 5.416 231 2HB GLN 32 HB1 GLN 32 -4.532 3.045 3.852 232 1HG GLN 32 HG2 GLN 32 -6.676 3.604 2.798 233 2HG GLN 32 HG1 GLN 32 -7.304 4.146 4.336 234 1HE2 GLN 32 HE21 GLN 32 -6.517 6.047 5.259 235 2HE2 GLN 32 HE22 GLN 32 -5.654 7.189 4.293 236 H VAL 33 HN VAL 33 -8.331 1.945 4.072 237 HA VAL 33 HA VAL 33 -9.278 1.676 6.875 238 HB VAL 33 HB VAL 33 -9.792 3.842 5.846 239 1HG1 VAL 33 HG11 VAL 33 -9.863 3.066 3.463 240 2HG1 VAL 33 HG12 VAL 33 -11.206 4.077 3.951 241 3HG1 VAL 33 HG13 VAL 33 -11.448 2.348 3.790 242 1HG2 VAL 33 HG21 VAL 33 -11.372 2.702 7.463 243 2HG2 VAL 33 HG22 VAL 33 -12.343 2.226 6.058 244 3HG2 VAL 33 HG23 VAL 33 -12.073 3.924 6.414 245 1HG HSL 34 HG1 HSL 34 -12.581 -4.105 7.347 246 2HG HSL 34 HG2 HSL 34 -12.859 -3.038 8.740 247 H HSL 34 HN HSL 34 -10.736 0.242 7.375 248 HA HSL 34 HA HSL 34 -11.384 -1.905 5.253 249 1HB HSL 34 HB1 HSL 34 -10.643 -3.009 7.089 250 2HB HSL 34 HB2 HSL 34 -11.137 -1.719 8.190 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 1.740 4.259 -12.757 2 2H ALA 1 HT2 ALA 1 2.446 4.915 -11.368 3 3H ALA 1 HT3 ALA 1 0.769 4.619 -11.424 4 HA ALA 1 HA ALA 1 1.158 2.242 -11.627 5 1HB ALA 1 HB1 ALA 1 4.084 2.959 -11.290 6 2HB ALA 1 HB2 ALA 1 3.307 2.388 -12.763 7 3HB ALA 1 HB3 ALA 1 3.411 1.318 -11.369 8 H CYS 2 HN CYS 2 -0.172 2.897 -9.932 9 HA CYS 2 HA CYS 2 1.081 3.437 -7.335 10 1HB CYS 2 HB2 CYS 2 -1.076 3.997 -6.581 11 2HB CYS 2 HB1 CYS 2 -0.930 4.697 -8.155 12 H GLY 3 HN GLY 3 0.867 2.126 -5.601 13 1HA GLY 3 HA2 GLY 3 0.501 -0.615 -5.840 14 2HA GLY 3 HA1 GLY 3 0.539 0.291 -4.340 15 H ILE 4 HN ILE 4 -1.280 -1.748 -5.929 16 HA ILE 4 HA ILE 4 -3.886 -0.559 -5.372 17 HB ILE 4 HB ILE 4 -4.819 -2.563 -6.513 18 1HG1 ILE 4 HG12 ILE 4 -1.948 -3.190 -7.183 19 2HG1 ILE 4 HG11 ILE 4 -2.860 -4.115 -5.978 20 1HG2 ILE 4 HG21 ILE 4 -2.767 -1.060 -8.140 21 2HG2 ILE 4 HG22 ILE 4 -4.380 -0.479 -7.701 22 3HG2 ILE 4 HG23 ILE 4 -4.216 -1.893 -8.724 23 1HD1 ILE 4 HD11 ILE 4 -3.351 -3.887 -8.934 24 2HD1 ILE 4 HD12 ILE 4 -4.442 -4.703 -7.801 25 3HD1 ILE 4 HD13 ILE 4 -2.793 -5.280 -8.016 26 H LEU 5 HN LEU 5 -5.493 -2.258 -4.713 27 HA LEU 5 HA LEU 5 -5.333 -2.354 -2.000 28 1HB LEU 5 HB2 LEU 5 -7.410 -3.529 -2.021 29 2HB LEU 5 HB1 LEU 5 -7.395 -2.347 -3.306 30 HG LEU 5 HG LEU 5 -6.869 -5.289 -3.783 31 1HD1 LEU 5 HD11 LEU 5 -9.091 -5.020 -2.826 32 2HD1 LEU 5 HD12 LEU 5 -9.127 -5.489 -4.521 33 3HD1 LEU 5 HD13 LEU 5 -9.470 -3.819 -4.074 34 1HD2 LEU 5 HD21 LEU 5 -7.611 -4.604 -6.101 35 2HD2 LEU 5 HD22 LEU 5 -6.027 -4.057 -5.602 36 3HD2 LEU 5 HD23 LEU 5 -7.392 -2.928 -5.595 37 H HIS 6 HN HIS 6 -3.956 -4.666 -4.099 38 HA HIS 6 HA HIS 6 -2.868 -6.033 -1.762 39 1HB HIS 6 HB2 HIS 6 -3.465 -8.271 -2.566 40 2HB HIS 6 HB1 HIS 6 -4.902 -7.322 -2.233 41 HD1 HIS 6 HD1 HIS 6 -2.881 -8.624 -5.161 42 HD2 HIS 6 HD2 HIS 6 -6.656 -7.132 -4.312 43 HE1 HIS 6 HE1 HIS 6 -4.212 -8.905 -7.266 44 HE2 HIS 6 HE2 HIS 6 -6.442 -7.840 -6.784 45 H ASP 7 HN ASP 7 -1.608 -4.285 -3.227 46 HA ASP 7 HA ASP 7 0.011 -5.840 -5.181 47 1HB ASP 7 HB2 ASP 7 -0.760 -3.764 -6.016 48 2HB ASP 7 HB1 ASP 7 -0.148 -2.846 -4.670 49 H ASN 8 HN ASN 8 1.840 -6.578 -4.660 50 HA ASN 8 HA ASN 8 2.840 -6.440 -2.020 51 1HB ASN 8 HB2 ASN 8 4.039 -7.539 -4.536 52 2HB ASN 8 HB1 ASN 8 4.802 -7.709 -2.948 53 1HD2 ASN 8 HD21 ASN 8 3.802 -9.012 -1.367 54 2HD2 ASN 8 HD22 ASN 8 2.630 -10.191 -1.838 55 H CYS 9 HN CYS 9 4.069 -5.101 -1.065 56 HA CYS 9 HA CYS 9 6.035 -3.467 -2.375 57 1HB CYS 9 HB2 CYS 9 4.949 -1.301 -1.757 58 2HB CYS 9 HB1 CYS 9 4.045 -2.203 -2.957 59 H VAL 10 HN VAL 10 6.859 -1.804 -0.804 60 HA VAL 10 HA VAL 10 7.194 -3.140 1.840 61 HB VAL 10 HB VAL 10 9.273 -1.814 2.052 62 1HG1 VAL 10 HG11 VAL 10 9.352 -4.093 1.164 63 2HG1 VAL 10 HG12 VAL 10 10.590 -3.056 0.465 64 3HG1 VAL 10 HG13 VAL 10 9.159 -3.460 -0.481 65 1HG2 VAL 10 HG21 VAL 10 10.190 -0.654 0.133 66 2HG2 VAL 10 HG22 VAL 10 8.683 0.107 0.593 67 3HG2 VAL 10 HG23 VAL 10 8.745 -0.962 -0.812 68 H TYR 11 HN TYR 11 7.303 -1.942 3.673 69 HA TYR 11 HA TYR 11 5.019 -0.141 3.781 70 1HB TYR 11 HB2 TYR 11 5.490 -1.998 5.393 71 2HB TYR 11 HB1 TYR 11 6.800 -1.077 6.072 72 HD1 TYR 11 HD1 TYR 11 6.312 0.900 7.469 73 HD2 TYR 11 HD2 TYR 11 3.182 -1.329 5.726 74 HE1 TYR 11 HE1 TYR 11 4.690 2.007 8.927 75 HE2 TYR 11 HE2 TYR 11 1.541 -0.262 7.159 76 HH TYR 11 HH TYR 11 1.814 0.954 9.637 77 H VAL 12 HN VAL 12 6.063 1.460 2.496 78 HA VAL 12 HA VAL 12 7.616 3.355 4.193 79 HB VAL 12 HB VAL 12 7.783 3.095 1.181 80 1HG1 VAL 12 HG11 VAL 12 8.077 5.402 1.846 81 2HG1 VAL 12 HG12 VAL 12 9.637 4.728 1.466 82 3HG1 VAL 12 HG13 VAL 12 9.170 4.948 3.148 83 1HG2 VAL 12 HG21 VAL 12 10.032 2.324 1.529 84 2HG2 VAL 12 HG22 VAL 12 8.923 1.243 2.359 85 3HG2 VAL 12 HG23 VAL 12 9.861 2.427 3.280 86 HA PRO 13 HA PRO 13 3.392 5.034 3.467 87 1HB PRO 13 HB2 PRO 13 3.447 6.566 5.764 88 2HB PRO 13 HB1 PRO 13 2.935 4.886 5.681 89 1HG PRO 13 HG2 PRO 13 5.588 5.988 6.511 90 2HG PRO 13 HG1 PRO 13 4.612 4.705 7.251 91 1HD PRO 13 HD2 PRO 13 6.712 4.168 5.731 92 2HD PRO 13 HD1 PRO 13 5.278 3.115 5.711 93 H ALA 14 HN ALA 14 6.354 6.668 4.469 94 HA ALA 14 HA ALA 14 5.607 9.316 3.871 95 1HB ALA 14 HB1 ALA 14 7.542 8.728 5.221 96 2HB ALA 14 HB2 ALA 14 7.992 9.818 3.915 97 3HB ALA 14 HB3 ALA 14 8.377 8.088 3.809 98 H GLN 15 HN GLN 15 6.646 6.682 1.924 99 HA GLN 15 HA GLN 15 6.137 8.286 -0.516 100 1HB GLN 15 HB2 GLN 15 8.371 6.298 0.029 101 2HB GLN 15 HB1 GLN 15 7.913 6.829 -1.593 102 1HG GLN 15 HG2 GLN 15 8.433 9.163 -0.936 103 2HG GLN 15 HG1 GLN 15 8.982 8.572 0.639 104 1HE2 GLN 15 HE21 GLN 15 10.935 7.455 0.788 105 2HE2 GLN 15 HE22 GLN 15 12.056 7.449 -0.526 106 H ASN 16 HN ASN 16 4.194 7.088 0.704 107 HA ASN 16 HA ASN 16 3.706 4.393 0.137 108 1HB ASN 16 HB2 ASN 16 2.338 5.732 1.660 109 2HB ASN 16 HB1 ASN 16 1.687 6.665 0.319 110 1HD2 ASN 16 HD21 ASN 16 -0.446 6.052 0.662 111 2HD2 ASN 16 HD22 ASN 16 -0.979 4.433 0.428 112 HA PRO 17 HA PRO 17 3.700 4.927 -4.311 113 1HB PRO 17 HB2 PRO 17 3.870 2.332 -4.928 114 2HB PRO 17 HB1 PRO 17 5.183 3.150 -4.074 115 1HG PRO 17 HG2 PRO 17 2.984 1.451 -2.894 116 2HG PRO 17 HG1 PRO 17 4.740 1.343 -2.663 117 1HD PRO 17 HD2 PRO 17 3.132 2.615 -0.931 118 2HD PRO 17 HD1 PRO 17 4.820 3.108 -1.214 119 H CYS 18 HN CYS 18 1.288 3.775 -2.331 120 HA CYS 18 HA CYS 18 -0.354 2.451 -4.207 121 1HB CYS 18 HB2 CYS 18 -0.873 3.363 -1.414 122 2HB CYS 18 HB1 CYS 18 -1.913 2.329 -2.358 123 H CYS 19 HN CYS 19 -2.356 2.969 -4.864 124 HA CYS 19 HA CYS 19 -2.808 5.665 -5.655 125 1HB CYS 19 HB2 CYS 19 -4.338 3.117 -5.730 126 2HB CYS 19 HB1 CYS 19 -5.316 4.576 -5.802 127 H ARG 20 HN ARG 20 -4.380 7.079 -5.024 128 HA ARG 20 HA ARG 20 -4.149 7.703 -2.283 129 1HB ARG 20 HB2 ARG 20 -4.409 9.370 -4.014 130 2HB ARG 20 HB1 ARG 20 -6.041 8.807 -4.392 131 1HG ARG 20 HG2 ARG 20 -6.756 9.492 -2.089 132 2HG ARG 20 HG1 ARG 20 -5.115 10.091 -1.798 133 1HD ARG 20 HD2 ARG 20 -6.711 11.833 -2.410 134 2HD ARG 20 HD1 ARG 20 -5.356 11.711 -3.534 135 HE ARG 20 HE ARG 20 -7.907 10.332 -4.169 136 1HH1 ARG 20 HH11 ARG 20 -5.702 13.007 -4.855 137 2HH1 ARG 20 HH12 ARG 20 -6.431 13.332 -6.371 138 1HH2 ARG 20 HH21 ARG 20 -8.807 10.793 -6.188 139 2HH2 ARG 20 HH22 ARG 20 -8.185 12.101 -7.138 140 H GLY 21 HN GLY 21 -4.942 6.494 -0.806 141 1HA GLY 21 HA2 GLY 21 -7.017 6.183 0.474 142 2HA GLY 21 HA1 GLY 21 -7.787 5.566 -0.977 143 H LEU 22 HN LEU 22 -4.746 4.473 -1.215 144 HA LEU 22 HA LEU 22 -5.332 1.963 0.278 145 1HB LEU 22 HB2 LEU 22 -3.701 2.379 -2.233 146 2HB LEU 22 HB1 LEU 22 -3.980 0.841 -1.431 147 HG LEU 22 HG LEU 22 -6.112 2.552 -2.721 148 1HD1 LEU 22 HD11 LEU 22 -5.029 -0.039 -3.716 149 2HD1 LEU 22 HD12 LEU 22 -4.404 1.503 -4.287 150 3HD1 LEU 22 HD13 LEU 22 -6.091 1.080 -4.529 151 1HD2 LEU 22 HD21 LEU 22 -7.105 1.249 -0.987 152 2HD2 LEU 22 HD22 LEU 22 -6.175 -0.193 -1.434 153 3HD2 LEU 22 HD23 LEU 22 -7.426 0.429 -2.505 154 H GLN 23 HN GLN 23 -3.912 1.168 1.577 155 HA GLN 23 HA GLN 23 -1.465 2.787 2.088 156 1HB GLN 23 HB2 GLN 23 -3.077 3.080 3.874 157 2HB GLN 23 HB1 GLN 23 -3.297 1.347 4.035 158 1HG GLN 23 HG2 GLN 23 -1.924 2.155 5.806 159 2HG GLN 23 HG1 GLN 23 -0.939 1.113 4.802 160 1HE2 GLN 23 HE21 GLN 23 1.036 1.994 5.309 161 2HE2 GLN 23 HE22 GLN 23 1.456 3.621 4.926 162 H CYS 24 HN CYS 24 0.274 1.825 1.661 163 HA CYS 24 HA CYS 24 0.480 -0.977 1.199 164 1HB CYS 24 HB2 CYS 24 1.846 0.538 -0.072 165 2HB CYS 24 HB1 CYS 24 2.608 1.123 1.377 166 H ARG 25 HN ARG 25 0.837 -2.511 2.503 167 HA ARG 25 HA ARG 25 1.999 -1.984 5.155 168 1HB ARG 25 HB2 ARG 25 -0.114 -2.912 5.451 169 2HB ARG 25 HB1 ARG 25 0.114 -4.087 4.161 170 1HG ARG 25 HG2 ARG 25 1.776 -5.291 5.540 171 2HG ARG 25 HG1 ARG 25 1.584 -4.078 6.817 172 1HD ARG 25 HD2 ARG 25 -0.672 -5.791 5.754 173 2HD ARG 25 HD1 ARG 25 0.390 -6.252 7.091 174 HE ARG 25 HE ARG 25 -0.583 -3.714 7.715 175 1HH1 ARG 25 HH11 ARG 25 -1.909 -6.930 7.189 176 2HH1 ARG 25 HH12 ARG 25 -3.194 -6.686 8.306 177 1HH2 ARG 25 HH21 ARG 25 -2.266 -3.422 9.179 178 2HH2 ARG 25 HH22 ARG 25 -3.412 -4.694 9.446 179 H TYR 26 HN TYR 26 3.569 -3.342 5.939 180 HA TYR 26 HA TYR 26 5.651 -4.052 4.268 181 1HB TYR 26 HB2 TYR 26 6.070 -3.834 6.580 182 2HB TYR 26 HB1 TYR 26 4.880 -5.053 7.017 183 HD1 TYR 26 HD1 TYR 26 8.054 -4.680 5.036 184 HD2 TYR 26 HD2 TYR 26 5.694 -7.191 7.576 185 HE1 TYR 26 HE1 TYR 26 9.845 -6.351 5.066 186 HE2 TYR 26 HE2 TYR 26 7.460 -8.876 7.536 187 HH TYR 26 HH TYR 26 10.462 -8.317 6.938 188 H GLY 27 HN GLY 27 5.219 -5.139 2.539 189 1HA GLY 27 HA2 GLY 27 5.375 -7.515 1.824 190 2HA GLY 27 HA1 GLY 27 3.911 -7.818 2.749 191 H LYS 28 HN LYS 28 2.298 -5.779 2.208 192 HA LYS 28 HA LYS 28 2.177 -5.166 -0.598 193 1HB LYS 28 HB2 LYS 28 0.116 -6.393 -1.108 194 2HB LYS 28 HB1 LYS 28 1.451 -7.476 -0.725 195 1HG LYS 28 HG2 LYS 28 0.582 -7.825 1.529 196 2HG LYS 28 HG1 LYS 28 -0.771 -6.717 1.199 197 1HD LYS 28 HD2 LYS 28 -1.614 -8.170 -0.540 198 2HD LYS 28 HD1 LYS 28 -0.220 -9.253 -0.374 199 1HE LYS 28 HE2 LYS 28 -0.922 -9.731 1.955 200 2HE LYS 28 HE1 LYS 28 -2.356 -8.720 1.697 201 1HZ LYS 28 HZ1 LYS 28 -2.827 -11.039 1.387 202 2HZ LYS 28 HZ2 LYS 28 -1.666 -11.186 0.172 203 3HZ LYS 28 HZ3 LYS 28 -3.047 -10.219 -0.073 204 H CYS 29 HN CYS 29 0.398 -4.022 -1.216 205 HA CYS 29 HA CYS 29 -0.404 -2.096 0.747 206 1HB CYS 29 HB2 CYS 29 0.341 -1.565 -1.595 207 2HB CYS 29 HB1 CYS 29 -1.126 -2.255 -2.172 208 H LEU 30 HN LEU 30 -2.398 -1.616 1.379 209 HA LEU 30 HA LEU 30 -4.580 -3.497 0.695 210 1HB LEU 30 HB2 LEU 30 -3.704 -2.662 3.483 211 2HB LEU 30 HB1 LEU 30 -5.192 -3.540 3.123 212 HG LEU 30 HG LEU 30 -2.380 -4.587 2.661 213 1HD1 LEU 30 HD11 LEU 30 -2.948 -4.398 5.042 214 2HD1 LEU 30 HD12 LEU 30 -2.850 -6.069 4.502 215 3HD1 LEU 30 HD13 LEU 30 -4.430 -5.331 4.758 216 1HD2 LEU 30 HD21 LEU 30 -3.564 -6.728 2.280 217 2HD2 LEU 30 HD22 LEU 30 -3.904 -5.557 1.028 218 3HD2 LEU 30 HD23 LEU 30 -5.102 -5.877 2.287 219 H VAL 31 HN VAL 31 -6.616 -2.802 1.546 220 HA VAL 31 HA VAL 31 -7.164 -0.119 0.639 221 HB VAL 31 HB VAL 31 -9.527 -0.655 1.108 222 1HG1 VAL 31 HG11 VAL 31 -8.145 -2.959 -0.259 223 2HG1 VAL 31 HG12 VAL 31 -8.481 -1.392 -1.017 224 3HG1 VAL 31 HG13 VAL 31 -9.806 -2.417 -0.474 225 1HG2 VAL 31 HG21 VAL 31 -8.359 -3.131 2.420 226 2HG2 VAL 31 HG22 VAL 31 -10.014 -3.036 1.841 227 3HG2 VAL 31 HG23 VAL 31 -9.473 -1.939 3.082 228 H GLN 32 HN GLN 32 -8.236 1.439 1.745 229 HA GLN 32 HA GLN 32 -7.198 1.976 4.386 230 1HB GLN 32 HB2 GLN 32 -8.493 4.069 4.245 231 2HB GLN 32 HB1 GLN 32 -7.487 3.780 2.836 232 1HG GLN 32 HG2 GLN 32 -9.407 3.061 1.531 233 2HG GLN 32 HG1 GLN 32 -10.471 3.214 2.922 234 1HE2 GLN 32 HE21 GLN 32 -10.583 4.490 0.302 235 2HE2 GLN 32 HE22 GLN 32 -10.580 6.182 0.649 236 H VAL 33 HN VAL 33 -8.253 -0.180 4.984 237 HA VAL 33 HA VAL 33 -11.067 -0.013 5.759 238 HB VAL 33 HB VAL 33 -10.221 -2.151 4.918 239 1HG1 VAL 33 HG11 VAL 33 -8.604 -3.463 5.998 240 2HG1 VAL 33 HG12 VAL 33 -8.476 -2.387 7.371 241 3HG1 VAL 33 HG13 VAL 33 -7.858 -1.892 5.794 242 1HG2 VAL 33 HG21 VAL 33 -10.839 -2.501 7.848 243 2HG2 VAL 33 HG22 VAL 33 -11.232 -3.543 6.495 244 3HG2 VAL 33 HG23 VAL 33 -12.058 -2.002 6.666 245 1HG HSL 34 HG1 HSL 34 -9.180 5.500 9.205 246 2HG HSL 34 HG2 HSL 34 -8.386 4.492 10.432 247 H HSL 34 HN HSL 34 -10.184 2.005 6.830 248 HA HSL 34 HA HSL 34 -9.179 1.547 9.264 249 1HB HSL 34 HB1 HSL 34 -7.724 3.200 8.723 250 2HB HSL 34 HB2 HSL 34 -8.855 3.970 7.604 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 1.789 4.740 -11.694 2 2H ALA 1 HT2 ALA 1 3.180 3.943 -12.215 3 3H ALA 1 HT3 ALA 1 3.167 4.684 -10.694 4 HA ALA 1 HA ALA 1 1.563 2.337 -11.568 5 1HB ALA 1 HB1 ALA 1 3.872 2.494 -9.615 6 2HB ALA 1 HB2 ALA 1 3.912 1.831 -11.244 7 3HB ALA 1 HB3 ALA 1 2.937 1.039 -10.012 8 H CYS 2 HN CYS 2 -0.310 2.384 -10.724 9 HA CYS 2 HA CYS 2 -0.825 3.759 -8.167 10 1HB CYS 2 HB2 CYS 2 -2.254 3.802 -10.389 11 2HB CYS 2 HB1 CYS 2 -2.961 2.326 -9.753 12 H GLY 3 HN GLY 3 -0.394 2.653 -6.477 13 1HA GLY 3 HA2 GLY 3 -0.093 -0.124 -6.288 14 2HA GLY 3 HA1 GLY 3 -0.246 0.933 -4.945 15 H ILE 4 HN ILE 4 -1.483 -1.643 -6.216 16 HA ILE 4 HA ILE 4 -4.355 -1.066 -5.723 17 HB ILE 4 HB ILE 4 -4.738 -3.268 -6.894 18 1HG1 ILE 4 HG12 ILE 4 -1.782 -2.994 -7.556 19 2HG1 ILE 4 HG11 ILE 4 -2.488 -4.269 -6.552 20 1HG2 ILE 4 HG21 ILE 4 -3.288 -1.189 -8.561 21 2HG2 ILE 4 HG22 ILE 4 -4.963 -1.072 -8.007 22 3HG2 ILE 4 HG23 ILE 4 -4.497 -2.362 -9.100 23 1HD1 ILE 4 HD11 ILE 4 -3.823 -4.902 -8.615 24 2HD1 ILE 4 HD12 ILE 4 -2.089 -5.202 -8.625 25 3HD1 ILE 4 HD13 ILE 4 -2.742 -3.817 -9.494 26 H LEU 5 HN LEU 5 -5.540 -2.805 -4.866 27 HA LEU 5 HA LEU 5 -4.786 -3.168 -2.177 28 1HB LEU 5 HB2 LEU 5 -6.933 -4.370 -1.949 29 2HB LEU 5 HB1 LEU 5 -7.027 -2.805 -2.712 30 HG LEU 5 HG LEU 5 -6.779 -4.991 -4.670 31 1HD1 LEU 5 HD11 LEU 5 -9.282 -4.777 -3.002 32 2HD1 LEU 5 HD12 LEU 5 -8.143 -6.136 -2.976 33 3HD1 LEU 5 HD13 LEU 5 -9.036 -5.761 -4.444 34 1HD2 LEU 5 HD21 LEU 5 -8.729 -2.713 -4.368 35 2HD2 LEU 5 HD22 LEU 5 -8.501 -3.745 -5.775 36 3HD2 LEU 5 HD23 LEU 5 -7.226 -2.647 -5.293 37 H HIS 6 HN HIS 6 -3.588 -4.847 -4.641 38 HA HIS 6 HA HIS 6 -2.712 -6.963 -2.861 39 1HB HIS 6 HB2 HIS 6 -3.156 -8.703 -4.657 40 2HB HIS 6 HB1 HIS 6 -4.572 -8.077 -3.835 41 HD1 HIS 6 HD1 HIS 6 -2.921 -8.147 -7.197 42 HD2 HIS 6 HD2 HIS 6 -6.382 -6.715 -5.420 43 HE1 HIS 6 HE1 HIS 6 -4.426 -7.463 -9.088 44 HE2 HIS 6 HE2 HIS 6 -6.530 -6.634 -7.986 45 H ASP 7 HN ASP 7 -1.464 -4.710 -3.658 46 HA ASP 7 HA ASP 7 0.583 -5.788 -5.546 47 1HB ASP 7 HB2 ASP 7 -0.492 -3.674 -6.218 48 2HB ASP 7 HB1 ASP 7 0.087 -2.869 -4.795 49 H ASN 8 HN ASN 8 2.382 -6.321 -4.770 50 HA ASN 8 HA ASN 8 2.909 -6.100 -1.949 51 1HB ASN 8 HB2 ASN 8 4.976 -7.397 -2.441 52 2HB ASN 8 HB1 ASN 8 3.500 -8.135 -3.042 53 1HD2 ASN 8 HD21 ASN 8 6.561 -6.769 -3.918 54 2HD2 ASN 8 HD22 ASN 8 6.421 -7.111 -5.605 55 H CYS 9 HN CYS 9 3.872 -4.585 -0.964 56 HA CYS 9 HA CYS 9 5.959 -2.939 -2.234 57 1HB CYS 9 HB2 CYS 9 4.809 -0.846 -1.737 58 2HB CYS 9 HB1 CYS 9 3.815 -1.836 -2.794 59 H VAL 10 HN VAL 10 6.770 -1.332 -0.698 60 HA VAL 10 HA VAL 10 6.905 -2.526 2.031 61 HB VAL 10 HB VAL 10 9.020 -1.297 2.301 62 1HG1 VAL 10 HG11 VAL 10 9.047 -3.613 1.508 63 2HG1 VAL 10 HG12 VAL 10 10.372 -2.662 0.847 64 3HG1 VAL 10 HG13 VAL 10 8.983 -3.041 -0.169 65 1HG2 VAL 10 HG21 VAL 10 8.637 0.592 0.760 66 2HG2 VAL 10 HG22 VAL 10 8.672 -0.520 -0.612 67 3HG2 VAL 10 HG23 VAL 10 10.105 -0.280 0.370 68 H TYR 11 HN TYR 11 6.756 -1.306 3.729 69 HA TYR 11 HA TYR 11 4.791 0.769 3.669 70 1HB TYR 11 HB2 TYR 11 5.040 0.748 6.159 71 2HB TYR 11 HB1 TYR 11 4.735 -0.828 5.450 72 HD1 TYR 11 HD1 TYR 11 6.763 0.902 7.755 73 HD2 TYR 11 HD2 TYR 11 6.899 -2.294 4.906 74 HE1 TYR 11 HE1 TYR 11 8.731 -0.033 8.867 75 HE2 TYR 11 HE2 TYR 11 8.868 -3.195 6.009 76 HH TYR 11 HH TYR 11 10.816 -2.015 7.593 77 H VAL 12 HN VAL 12 6.107 2.076 2.243 78 HA VAL 12 HA VAL 12 7.641 4.060 3.829 79 HB VAL 12 HB VAL 12 8.336 3.198 1.005 80 1HG1 VAL 12 HG11 VAL 12 9.333 5.415 2.808 81 2HG1 VAL 12 HG12 VAL 12 8.827 5.486 1.117 82 3HG1 VAL 12 HG13 VAL 12 10.335 4.717 1.540 83 1HG2 VAL 12 HG21 VAL 12 9.859 2.805 3.597 84 2HG2 VAL 12 HG22 VAL 12 10.430 2.428 1.973 85 3HG2 VAL 12 HG23 VAL 12 9.075 1.536 2.644 86 HA PRO 13 HA PRO 13 3.961 6.118 2.091 87 1HB PRO 13 HB2 PRO 13 4.766 8.046 4.217 88 2HB PRO 13 HB1 PRO 13 3.209 7.280 3.882 89 1HG PRO 13 HG2 PRO 13 4.726 6.558 5.954 90 2HG PRO 13 HG1 PRO 13 3.742 5.375 5.070 91 1HD PRO 13 HD2 PRO 13 6.695 5.895 4.929 92 2HD PRO 13 HD1 PRO 13 5.775 4.372 4.912 93 H ALA 14 HN ALA 14 7.166 7.293 2.892 94 HA ALA 14 HA ALA 14 7.278 9.793 1.840 95 1HB ALA 14 HB1 ALA 14 9.671 9.423 1.468 96 2HB ALA 14 HB2 ALA 14 9.429 7.668 1.575 97 3HB ALA 14 HB3 ALA 14 9.132 8.691 2.975 98 H GLN 15 HN GLN 15 7.584 6.738 0.129 99 HA GLN 15 HA GLN 15 6.631 8.130 -2.316 100 1HB GLN 15 HB2 GLN 15 9.058 7.489 -2.482 101 2HB GLN 15 HB1 GLN 15 8.598 5.794 -2.274 102 1HG GLN 15 HG2 GLN 15 7.071 6.149 -4.345 103 2HG GLN 15 HG1 GLN 15 7.911 7.687 -4.535 104 1HE2 GLN 15 HE21 GLN 15 8.165 4.210 -4.721 105 2HE2 GLN 15 HE22 GLN 15 9.660 4.212 -5.585 106 H ASN 16 HN ASN 16 4.750 7.510 -1.002 107 HA ASN 16 HA ASN 16 3.839 4.854 -0.850 108 1HB ASN 16 HB2 ASN 16 2.757 6.684 0.332 109 2HB ASN 16 HB1 ASN 16 2.222 7.410 -1.176 110 1HD2 ASN 16 HD21 ASN 16 1.675 4.918 1.181 111 2HD2 ASN 16 HD22 ASN 16 0.192 4.352 0.499 112 HA PRO 17 HA PRO 17 3.523 4.390 -5.327 113 1HB PRO 17 HB2 PRO 17 3.591 1.719 -5.355 114 2HB PRO 17 HB1 PRO 17 5.003 2.663 -4.873 115 1HG PRO 17 HG2 PRO 17 2.989 1.298 -3.106 116 2HG PRO 17 HG1 PRO 17 4.761 1.267 -3.033 117 1HD PRO 17 HD2 PRO 17 3.206 2.903 -1.506 118 2HD PRO 17 HD1 PRO 17 4.887 3.252 -1.953 119 H CYS 18 HN CYS 18 1.393 3.675 -2.843 120 HA CYS 18 HA CYS 18 -0.568 2.215 -4.277 121 1HB CYS 18 HB2 CYS 18 -0.558 3.493 -1.570 122 2HB CYS 18 HB1 CYS 18 -1.883 2.531 -2.192 123 H CYS 19 HN CYS 19 -2.569 2.829 -4.817 124 HA CYS 19 HA CYS 19 -3.079 5.541 -5.585 125 1HB CYS 19 HB2 CYS 19 -5.211 3.476 -4.932 126 2HB CYS 19 HB1 CYS 19 -5.303 4.847 -6.042 127 H ARG 20 HN ARG 20 -3.111 7.060 -4.181 128 HA ARG 20 HA ARG 20 -3.071 6.753 -1.440 129 1HB ARG 20 HB2 ARG 20 -3.526 9.167 -1.234 130 2HB ARG 20 HB1 ARG 20 -2.280 8.743 -2.407 131 1HG ARG 20 HG2 ARG 20 -3.907 9.081 -4.248 132 2HG ARG 20 HG1 ARG 20 -5.115 9.584 -3.053 133 1HD ARG 20 HD2 ARG 20 -3.543 11.344 -2.293 134 2HD ARG 20 HD1 ARG 20 -2.464 10.908 -3.637 135 HE ARG 20 HE ARG 20 -4.776 11.402 -4.933 136 1HH1 ARG 20 HH11 ARG 20 -2.963 13.220 -2.518 137 2HH1 ARG 20 HH12 ARG 20 -3.530 14.732 -3.093 138 1HH2 ARG 20 HH21 ARG 20 -5.488 13.427 -5.666 139 2HH2 ARG 20 HH22 ARG 20 -4.952 14.871 -4.875 140 H GLY 21 HN GLY 21 -4.389 6.355 0.030 141 1HA GLY 21 HA2 GLY 21 -6.756 6.404 0.821 142 2HA GLY 21 HA1 GLY 21 -7.210 5.790 -0.771 143 H LEU 22 HN LEU 22 -4.717 4.244 -0.961 144 HA LEU 22 HA LEU 22 -5.308 2.016 0.910 145 1HB LEU 22 HB2 LEU 22 -3.841 2.119 -1.740 146 2HB LEU 22 HB1 LEU 22 -3.837 0.707 -0.687 147 HG LEU 22 HG LEU 22 -6.348 0.642 -0.981 148 1HD1 LEU 22 HD11 LEU 22 -7.236 1.774 -2.975 149 2HD1 LEU 22 HD12 LEU 22 -5.793 2.764 -3.010 150 3HD1 LEU 22 HD13 LEU 22 -6.896 2.844 -1.643 151 1HD2 LEU 22 HD21 LEU 22 -6.251 -0.413 -3.110 152 2HD2 LEU 22 HD22 LEU 22 -4.805 -0.832 -2.200 153 3HD2 LEU 22 HD23 LEU 22 -4.729 0.384 -3.486 154 H GLN 23 HN GLN 23 -3.655 0.981 1.942 155 HA GLN 23 HA GLN 23 -1.234 2.657 2.377 156 1HB GLN 23 HB2 GLN 23 -3.039 1.228 4.331 157 2HB GLN 23 HB1 GLN 23 -1.377 1.614 4.780 158 1HG GLN 23 HG2 GLN 23 -3.458 3.639 3.892 159 2HG GLN 23 HG1 GLN 23 -3.070 3.234 5.562 160 1HE2 GLN 23 HE21 GLN 23 -1.088 3.888 6.450 161 2HE2 GLN 23 HE22 GLN 23 -0.125 5.090 5.668 162 H CYS 24 HN CYS 24 0.607 1.824 2.308 163 HA CYS 24 HA CYS 24 0.975 -0.951 1.550 164 1HB CYS 24 HB2 CYS 24 2.747 1.421 1.921 165 2HB CYS 24 HB1 CYS 24 3.495 -0.172 1.980 166 H ARG 25 HN ARG 25 0.264 -2.186 3.109 167 HA ARG 25 HA ARG 25 1.484 -2.053 5.790 168 1HB ARG 25 HB2 ARG 25 -0.358 -4.095 4.477 169 2HB ARG 25 HB1 ARG 25 0.193 -4.147 6.167 170 1HG ARG 25 HG2 ARG 25 -0.967 -2.021 6.606 171 2HG ARG 25 HG1 ARG 25 -1.518 -1.971 4.922 172 1HD ARG 25 HD2 ARG 25 -2.683 -4.069 5.264 173 2HD ARG 25 HD1 ARG 25 -2.187 -4.120 6.951 174 HE ARG 25 HE ARG 25 -3.440 -1.797 6.946 175 1HH1 ARG 25 HH11 ARG 25 -4.426 -4.811 5.445 176 2HH1 ARG 25 HH12 ARG 25 -6.086 -4.453 5.534 177 1HH2 ARG 25 HH21 ARG 25 -5.658 -1.364 7.106 178 2HH2 ARG 25 HH22 ARG 25 -6.810 -2.512 6.507 179 H TYR 26 HN TYR 26 2.654 -3.803 6.606 180 HA TYR 26 HA TYR 26 4.991 -4.290 5.214 181 1HB TYR 26 HB2 TYR 26 4.771 -4.566 7.621 182 2HB TYR 26 HB1 TYR 26 3.774 -6.001 7.415 183 HD1 TYR 26 HD1 TYR 26 7.176 -4.606 6.764 184 HD2 TYR 26 HD2 TYR 26 4.801 -8.136 7.159 185 HE1 TYR 26 HE1 TYR 26 9.204 -5.973 6.733 186 HE2 TYR 26 HE2 TYR 26 6.832 -9.497 7.132 187 HH TYR 26 HH TYR 26 9.750 -8.492 7.754 188 H GLY 27 HN GLY 27 4.744 -4.914 3.196 189 1HA GLY 27 HA2 GLY 27 5.178 -6.906 1.920 190 2HA GLY 27 HA1 GLY 27 3.873 -7.735 2.744 191 H LYS 28 HN LYS 28 1.929 -5.653 2.626 192 HA LYS 28 HA LYS 28 1.354 -5.726 -0.297 193 1HB LYS 28 HB2 LYS 28 -0.373 -6.694 1.998 194 2HB LYS 28 HB1 LYS 28 -0.999 -6.409 0.362 195 1HG LYS 28 HG2 LYS 28 0.378 -8.129 -0.551 196 2HG LYS 28 HG1 LYS 28 1.232 -8.358 0.991 197 1HD LYS 28 HD2 LYS 28 -0.770 -9.174 2.060 198 2HD LYS 28 HD1 LYS 28 -1.749 -8.809 0.628 199 1HE LYS 28 HE2 LYS 28 0.558 -10.771 0.611 200 2HE LYS 28 HE1 LYS 28 -1.116 -11.200 0.944 201 1HZ LYS 28 HZ1 LYS 28 -1.722 -10.249 -1.257 202 2HZ LYS 28 HZ2 LYS 28 -0.695 -11.586 -1.326 203 3HZ LYS 28 HZ3 LYS 28 -0.063 -10.045 -1.586 204 H CYS 29 HN CYS 29 0.430 -4.129 -1.122 205 HA CYS 29 HA CYS 29 -0.377 -1.786 0.379 206 1HB CYS 29 HB2 CYS 29 0.631 -1.556 -1.843 207 2HB CYS 29 HB1 CYS 29 -0.647 -2.477 -2.561 208 H LEU 30 HN LEU 30 -2.085 -2.003 1.559 209 HA LEU 30 HA LEU 30 -4.484 -3.352 0.395 210 1HB LEU 30 HB2 LEU 30 -3.555 -3.274 3.288 211 2HB LEU 30 HB1 LEU 30 -5.050 -4.014 2.706 212 HG LEU 30 HG LEU 30 -2.244 -4.922 2.016 213 1HD1 LEU 30 HD11 LEU 30 -2.654 -5.518 4.254 214 2HD1 LEU 30 HD12 LEU 30 -2.955 -6.939 3.306 215 3HD1 LEU 30 HD13 LEU 30 -4.313 -6.012 3.922 216 1HD2 LEU 30 HD21 LEU 30 -3.452 -6.891 1.075 217 2HD2 LEU 30 HD22 LEU 30 -3.663 -5.419 0.148 218 3HD2 LEU 30 HD23 LEU 30 -4.961 -5.993 1.210 219 H VAL 31 HN VAL 31 -6.359 -2.499 0.659 220 HA VAL 31 HA VAL 31 -6.580 0.310 0.712 221 HB VAL 31 HB VAL 31 -8.827 -1.657 1.209 222 1HG1 VAL 31 HG11 VAL 31 -8.774 1.203 0.205 223 2HG1 VAL 31 HG12 VAL 31 -9.575 0.574 1.654 224 3HG1 VAL 31 HG13 VAL 31 -10.161 0.129 0.065 225 1HG2 VAL 31 HG21 VAL 31 -8.565 -2.436 -0.820 226 2HG2 VAL 31 HG22 VAL 31 -7.198 -1.383 -1.143 227 3HG2 VAL 31 HG23 VAL 31 -8.833 -0.834 -1.486 228 H GLN 32 HN GLN 32 -6.798 1.724 2.201 229 HA GLN 32 HA GLN 32 -6.595 0.924 4.976 230 1HB GLN 32 HB2 GLN 32 -5.459 2.921 4.008 231 2HB GLN 32 HB1 GLN 32 -7.016 3.710 3.804 232 1HG GLN 32 HG2 GLN 32 -7.349 3.433 6.319 233 2HG GLN 32 HG1 GLN 32 -5.675 2.877 6.388 234 1HE2 GLN 32 HE21 GLN 32 -6.970 5.162 7.645 235 2HE2 GLN 32 HE22 GLN 32 -6.078 6.534 7.093 236 H VAL 33 HN VAL 33 -8.476 -0.293 4.965 237 HA VAL 33 HA VAL 33 -11.053 1.145 5.027 238 HB VAL 33 HB VAL 33 -12.042 -1.101 5.462 239 1HG1 VAL 33 HG11 VAL 33 -11.751 -1.968 3.243 240 2HG1 VAL 33 HG12 VAL 33 -10.298 -1.004 2.996 241 3HG1 VAL 33 HG13 VAL 33 -11.874 -0.213 3.178 242 1HG2 VAL 33 HG21 VAL 33 -9.216 -2.128 5.028 243 2HG2 VAL 33 HG22 VAL 33 -10.678 -3.091 5.136 244 3HG2 VAL 33 HG23 VAL 33 -10.122 -2.215 6.545 245 1HG HSL 34 HG1 HSL 34 -12.286 4.287 10.093 246 2HG HSL 34 HG2 HSL 34 -11.396 3.308 11.278 247 H HSL 34 HN HSL 34 -12.128 1.548 6.771 248 HA HSL 34 HA HSL 34 -11.040 0.580 9.519 249 1HB HSL 34 HB1 HSL 34 -10.123 2.653 9.553 250 2HB HSL 34 HB2 HSL 34 -11.268 3.290 8.367 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 4.051 2.057 -12.843 2 2H ALA 1 HT2 ALA 1 4.616 1.967 -11.252 3 3H ALA 1 HT3 ALA 1 3.615 3.257 -11.738 4 HA ALA 1 HA ALA 1 1.803 1.732 -12.175 5 1HB ALA 1 HB1 ALA 1 3.652 -0.392 -11.052 6 2HB ALA 1 HB2 ALA 1 3.145 -0.215 -12.728 7 3HB ALA 1 HB3 ALA 1 1.951 -0.622 -11.501 8 H CYS 2 HN CYS 2 0.319 2.021 -10.757 9 HA CYS 2 HA CYS 2 1.054 3.048 -8.131 10 1HB CYS 2 HB2 CYS 2 -0.659 4.108 -9.574 11 2HB CYS 2 HB1 CYS 2 -1.696 2.702 -9.398 12 H GLY 3 HN GLY 3 0.731 2.115 -6.257 13 1HA GLY 3 HA2 GLY 3 0.460 -0.688 -6.035 14 2HA GLY 3 HA1 GLY 3 0.450 0.449 -4.723 15 H ILE 4 HN ILE 4 -1.360 -1.655 -6.489 16 HA ILE 4 HA ILE 4 -3.962 -0.440 -5.907 17 HB ILE 4 HB ILE 4 -4.867 -2.488 -7.128 18 1HG1 ILE 4 HG12 ILE 4 -1.937 -2.874 -7.831 19 2HG1 ILE 4 HG11 ILE 4 -2.878 -3.967 -6.807 20 1HG2 ILE 4 HG21 ILE 4 -2.983 -0.717 -8.691 21 2HG2 ILE 4 HG22 ILE 4 -4.599 -0.264 -8.130 22 3HG2 ILE 4 HG23 ILE 4 -4.416 -1.575 -9.279 23 1HD1 ILE 4 HD11 ILE 4 -3.272 -3.394 -9.733 24 2HD1 ILE 4 HD12 ILE 4 -4.376 -4.369 -8.749 25 3HD1 ILE 4 HD13 ILE 4 -2.704 -4.874 -8.969 26 H LEU 5 HN LEU 5 -5.603 -2.328 -5.442 27 HA LEU 5 HA LEU 5 -5.914 -2.231 -2.850 28 1HB LEU 5 HB2 LEU 5 -7.545 -3.958 -2.937 29 2HB LEU 5 HB1 LEU 5 -7.569 -3.062 -4.439 30 HG LEU 5 HG LEU 5 -6.200 -5.743 -4.165 31 1HD1 LEU 5 HD11 LEU 5 -8.112 -6.710 -5.227 32 2HD1 LEU 5 HD12 LEU 5 -8.955 -5.162 -5.220 33 3HD1 LEU 5 HD13 LEU 5 -8.579 -5.982 -3.693 34 1HD2 LEU 5 HD21 LEU 5 -6.993 -4.085 -6.566 35 2HD2 LEU 5 HD22 LEU 5 -6.409 -5.746 -6.621 36 3HD2 LEU 5 HD23 LEU 5 -5.347 -4.477 -6.047 37 H HIS 6 HN HIS 6 -4.031 -4.854 -4.344 38 HA HIS 6 HA HIS 6 -2.998 -5.496 -1.646 39 1HB HIS 6 HB2 HIS 6 -3.367 -7.850 -1.884 40 2HB HIS 6 HB1 HIS 6 -4.895 -7.041 -2.174 41 HD1 HIS 6 HD1 HIS 6 -2.096 -8.734 -4.104 42 HD2 HIS 6 HD2 HIS 6 -6.100 -7.733 -4.526 43 HE1 HIS 6 HE1 HIS 6 -2.806 -9.694 -6.300 44 HE2 HIS 6 HE2 HIS 6 -5.198 -8.962 -6.601 45 H ASP 7 HN ASP 7 -1.898 -4.053 -3.848 46 HA ASP 7 HA ASP 7 -0.113 -5.817 -5.254 47 1HB ASP 7 HB2 ASP 7 -0.862 -3.643 -6.150 48 2HB ASP 7 HB1 ASP 7 0.090 -2.778 -4.977 49 H ASN 8 HN ASN 8 1.887 -6.332 -4.814 50 HA ASN 8 HA ASN 8 2.625 -6.267 -2.040 51 1HB ASN 8 HB2 ASN 8 4.016 -7.523 -4.388 52 2HB ASN 8 HB1 ASN 8 4.463 -7.767 -2.693 53 1HD2 ASN 8 HD21 ASN 8 3.669 -9.753 -4.656 54 2HD2 ASN 8 HD22 ASN 8 2.259 -10.504 -4.000 55 H CYS 9 HN CYS 9 3.911 -4.974 -1.070 56 HA CYS 9 HA CYS 9 6.073 -3.562 -2.274 57 1HB CYS 9 HB2 CYS 9 5.070 -1.270 -1.852 58 2HB CYS 9 HB1 CYS 9 4.330 -2.172 -3.161 59 H VAL 10 HN VAL 10 6.804 -1.770 -0.735 60 HA VAL 10 HA VAL 10 6.808 -2.890 2.020 61 HB VAL 10 HB VAL 10 8.796 -1.013 0.682 62 1HG1 VAL 10 HG11 VAL 10 10.183 -1.715 2.688 63 2HG1 VAL 10 HG12 VAL 10 8.695 -2.298 3.425 64 3HG1 VAL 10 HG13 VAL 10 8.881 -0.586 3.013 65 1HG2 VAL 10 HG21 VAL 10 9.045 -3.967 1.313 66 2HG2 VAL 10 HG22 VAL 10 10.293 -2.913 0.651 67 3HG2 VAL 10 HG23 VAL 10 8.857 -3.262 -0.302 68 H TYR 11 HN TYR 11 6.461 -1.679 3.726 69 HA TYR 11 HA TYR 11 4.560 0.456 3.444 70 1HB TYR 11 HB2 TYR 11 4.744 -1.299 5.310 71 2HB TYR 11 HB1 TYR 11 6.002 -0.310 5.985 72 HD1 TYR 11 HD1 TYR 11 5.107 2.395 5.859 73 HD2 TYR 11 HD2 TYR 11 2.803 -1.078 6.636 74 HE1 TYR 11 HE1 TYR 11 3.469 3.765 6.991 75 HE2 TYR 11 HE2 TYR 11 1.118 0.281 7.720 76 HH TYR 11 HH TYR 11 1.324 2.726 9.040 77 H VAL 12 HN VAL 12 5.782 1.868 2.171 78 HA VAL 12 HA VAL 12 7.479 3.669 3.822 79 HB VAL 12 HB VAL 12 8.835 2.754 2.071 80 1HG1 VAL 12 HG11 VAL 12 6.989 3.922 -0.011 81 2HG1 VAL 12 HG12 VAL 12 6.926 2.233 0.476 82 3HG1 VAL 12 HG13 VAL 12 8.387 2.890 -0.219 83 1HG2 VAL 12 HG21 VAL 12 8.141 5.574 1.250 84 2HG2 VAL 12 HG22 VAL 12 9.687 4.747 1.190 85 3HG2 VAL 12 HG23 VAL 12 9.007 5.196 2.747 86 HA PRO 13 HA PRO 13 3.429 5.615 3.219 87 1HB PRO 13 HB2 PRO 13 3.682 7.315 5.357 88 2HB PRO 13 HB1 PRO 13 3.181 5.628 5.463 89 1HG PRO 13 HG2 PRO 13 5.882 6.812 5.974 90 2HG PRO 13 HG1 PRO 13 4.989 5.584 6.886 91 1HD PRO 13 HD2 PRO 13 6.970 4.984 5.201 92 2HD PRO 13 HD1 PRO 13 5.609 3.903 5.465 93 H ALA 14 HN ALA 14 6.396 7.386 3.999 94 HA ALA 14 HA ALA 14 5.567 9.957 3.276 95 1HB ALA 14 HB1 ALA 14 7.554 9.475 4.595 96 2HB ALA 14 HB2 ALA 14 7.941 10.515 3.229 97 3HB ALA 14 HB3 ALA 14 8.364 8.792 3.189 98 H GLN 15 HN GLN 15 6.891 7.310 1.432 99 HA GLN 15 HA GLN 15 6.323 8.799 -1.097 100 1HB GLN 15 HB2 GLN 15 8.625 6.932 -0.409 101 2HB GLN 15 HB1 GLN 15 8.242 7.476 -2.056 102 1HG GLN 15 HG2 GLN 15 8.657 9.791 -1.404 103 2HG GLN 15 HG1 GLN 15 9.005 9.282 0.254 104 1HE2 GLN 15 HE21 GLN 15 10.659 10.682 -1.764 105 2HE2 GLN 15 HE22 GLN 15 12.081 9.709 -1.886 106 H ASN 16 HN ASN 16 4.439 7.441 0.170 107 HA ASN 16 HA ASN 16 4.223 4.692 -0.362 108 1HB ASN 16 HB2 ASN 16 2.808 5.807 1.245 109 2HB ASN 16 HB1 ASN 16 2.041 6.769 0.002 110 1HD2 ASN 16 HD21 ASN 16 -0.008 5.962 0.573 111 2HD2 ASN 16 HD22 ASN 16 -0.464 4.343 0.203 112 HA PRO 17 HA PRO 17 3.645 5.128 -4.801 113 1HB PRO 17 HB2 PRO 17 4.297 2.603 -5.416 114 2HB PRO 17 HB1 PRO 17 5.502 3.753 -4.832 115 1HG PRO 17 HG2 PRO 17 4.101 1.583 -3.310 116 2HG PRO 17 HG1 PRO 17 5.813 2.046 -3.307 117 1HD PRO 17 HD2 PRO 17 3.979 2.828 -1.417 118 2HD PRO 17 HD1 PRO 17 5.505 3.669 -1.778 119 H CYS 18 HN CYS 18 1.928 3.524 -2.456 120 HA CYS 18 HA CYS 18 0.088 2.098 -4.059 121 1HB CYS 18 HB2 CYS 18 0.807 1.737 -1.593 122 2HB CYS 18 HB1 CYS 18 -0.398 2.941 -1.218 123 H CYS 19 HN CYS 19 -1.967 2.585 -4.506 124 HA CYS 19 HA CYS 19 -2.491 5.245 -5.297 125 1HB CYS 19 HB2 CYS 19 -4.395 2.904 -4.964 126 2HB CYS 19 HB1 CYS 19 -4.783 4.404 -5.802 127 H ARG 20 HN ARG 20 -3.819 6.748 -4.612 128 HA ARG 20 HA ARG 20 -3.785 7.192 -1.785 129 1HB ARG 20 HB2 ARG 20 -5.335 8.667 -3.958 130 2HB ARG 20 HB1 ARG 20 -5.046 9.269 -2.321 131 1HG ARG 20 HG2 ARG 20 -3.033 8.824 -4.528 132 2HG ARG 20 HG1 ARG 20 -3.549 10.345 -3.802 133 1HD ARG 20 HD2 ARG 20 -1.922 8.160 -2.497 134 2HD ARG 20 HD1 ARG 20 -1.400 9.765 -2.959 135 HE ARG 20 HE ARG 20 -3.252 10.519 -1.282 136 1HH1 ARG 20 HH11 ARG 20 -0.872 7.944 -0.900 137 2HH1 ARG 20 HH12 ARG 20 -0.948 8.006 0.811 138 1HH2 ARG 20 HH21 ARG 20 -3.320 10.559 0.976 139 2HH2 ARG 20 HH22 ARG 20 -2.316 9.483 1.892 140 H GLY 21 HN GLY 21 -5.025 6.527 -0.320 141 1HA GLY 21 HA2 GLY 21 -7.186 6.091 0.578 142 2HA GLY 21 HA1 GLY 21 -7.770 5.567 -0.993 143 H LEU 22 HN LEU 22 -4.737 4.410 -0.822 144 HA LEU 22 HA LEU 22 -5.440 1.930 0.656 145 1HB LEU 22 HB2 LEU 22 -3.815 2.125 -1.891 146 2HB LEU 22 HB1 LEU 22 -4.254 0.642 -1.038 147 HG LEU 22 HG LEU 22 -6.156 2.521 -2.482 148 1HD1 LEU 22 HD11 LEU 22 -5.234 -0.239 -3.250 149 2HD1 LEU 22 HD12 LEU 22 -4.615 1.239 -3.966 150 3HD1 LEU 22 HD13 LEU 22 -6.312 0.816 -4.145 151 1HD2 LEU 22 HD21 LEU 22 -7.220 1.329 -0.557 152 2HD2 LEU 22 HD22 LEU 22 -6.662 -0.187 -1.258 153 3HD2 LEU 22 HD23 LEU 22 -7.815 0.811 -2.120 154 H GLN 23 HN GLN 23 -4.010 1.269 2.034 155 HA GLN 23 HA GLN 23 -1.430 2.767 2.186 156 1HB GLN 23 HB2 GLN 23 -3.152 1.556 4.334 157 2HB GLN 23 HB1 GLN 23 -1.503 2.082 4.663 158 1HG GLN 23 HG2 GLN 23 -3.796 3.790 3.705 159 2HG GLN 23 HG1 GLN 23 -3.216 3.698 5.360 160 1HE2 GLN 23 HE21 GLN 23 -1.186 4.682 5.836 161 2HE2 GLN 23 HE22 GLN 23 -0.512 5.842 4.747 162 H CYS 24 HN CYS 24 0.229 1.788 1.713 163 HA CYS 24 HA CYS 24 0.317 -1.073 1.365 164 1HB CYS 24 HB2 CYS 24 1.442 0.311 -0.236 165 2HB CYS 24 HB1 CYS 24 2.392 1.070 1.007 166 H ARG 25 HN ARG 25 0.624 -2.405 2.873 167 HA ARG 25 HA ARG 25 2.254 -1.694 5.210 168 1HB ARG 25 HB2 ARG 25 0.152 -3.763 4.676 169 2HB ARG 25 HB1 ARG 25 1.321 -4.036 5.961 170 1HG ARG 25 HG2 ARG 25 -0.642 -3.124 6.915 171 2HG ARG 25 HG1 ARG 25 0.638 -1.922 7.045 172 1HD ARG 25 HD2 ARG 25 -0.316 -0.734 5.103 173 2HD ARG 25 HD1 ARG 25 -1.567 -1.973 4.978 174 HE ARG 25 HE ARG 25 -1.261 -0.385 7.461 175 1HH1 ARG 25 HH11 ARG 25 -3.112 -0.998 4.556 176 2HH1 ARG 25 HH12 ARG 25 -4.548 -0.342 5.173 177 1HH2 ARG 25 HH21 ARG 25 -3.116 0.665 8.203 178 2HH2 ARG 25 HH22 ARG 25 -4.546 0.679 7.243 179 H TYR 26 HN TYR 26 3.615 -3.379 6.081 180 HA TYR 26 HA TYR 26 5.700 -3.858 4.247 181 1HB TYR 26 HB2 TYR 26 5.145 -4.985 6.999 182 2HB TYR 26 HB1 TYR 26 6.614 -5.377 6.100 183 HD1 TYR 26 HD1 TYR 26 8.147 -3.470 5.384 184 HD2 TYR 26 HD2 TYR 26 5.011 -2.974 8.255 185 HE1 TYR 26 HE1 TYR 26 9.230 -1.446 6.227 186 HE2 TYR 26 HE2 TYR 26 6.107 -0.950 9.088 187 HH TYR 26 HH TYR 26 8.747 -0.105 9.030 188 H GLY 27 HN GLY 27 4.885 -4.832 2.514 189 1HA GLY 27 HA2 GLY 27 5.288 -7.289 1.825 190 2HA GLY 27 HA1 GLY 27 3.816 -7.593 2.746 191 H LYS 28 HN LYS 28 2.246 -5.482 2.173 192 HA LYS 28 HA LYS 28 2.079 -4.967 -0.650 193 1HB LYS 28 HB2 LYS 28 0.125 -6.254 -1.177 194 2HB LYS 28 HB1 LYS 28 1.323 -7.352 -0.514 195 1HG LYS 28 HG2 LYS 28 0.213 -7.319 1.661 196 2HG LYS 28 HG1 LYS 28 -1.008 -6.185 1.038 197 1HD LYS 28 HD2 LYS 28 -1.642 -7.898 -0.667 198 2HD LYS 28 HD1 LYS 28 -0.532 -9.029 0.121 199 1HE LYS 28 HE2 LYS 28 -1.821 -8.731 2.233 200 2HE LYS 28 HE1 LYS 28 -2.971 -7.722 1.336 201 1HZ LYS 28 HZ1 LYS 28 -3.723 -9.977 1.539 202 2HZ LYS 28 HZ2 LYS 28 -2.349 -10.581 0.768 203 3HZ LYS 28 HZ3 LYS 28 -3.460 -9.616 -0.090 204 H CYS 29 HN CYS 29 -0.032 -4.058 -1.237 205 HA CYS 29 HA CYS 29 -0.746 -1.989 0.602 206 1HB CYS 29 HB2 CYS 29 -1.627 -2.784 -2.119 207 2HB CYS 29 HB1 CYS 29 -2.503 -1.527 -1.249 208 H LEU 30 HN LEU 30 -2.493 -1.689 1.706 209 HA LEU 30 HA LEU 30 -4.624 -3.757 1.610 210 1HB LEU 30 HB2 LEU 30 -3.589 -2.294 4.028 211 2HB LEU 30 HB1 LEU 30 -4.963 -3.370 4.033 212 HG LEU 30 HG LEU 30 -2.064 -4.105 3.542 213 1HD1 LEU 30 HD11 LEU 30 -2.747 -3.555 5.909 214 2HD1 LEU 30 HD12 LEU 30 -2.153 -5.180 5.635 215 3HD1 LEU 30 HD13 LEU 30 -3.882 -4.902 5.816 216 1HD2 LEU 30 HD21 LEU 30 -4.574 -5.807 3.524 217 2HD2 LEU 30 HD22 LEU 30 -2.934 -6.433 3.635 218 3HD2 LEU 30 HD23 LEU 30 -3.432 -5.578 2.200 219 H VAL 31 HN VAL 31 -6.629 -3.078 1.892 220 HA VAL 31 HA VAL 31 -7.072 -0.511 0.634 221 HB VAL 31 HB VAL 31 -9.433 -1.225 0.475 222 1HG1 VAL 31 HG11 VAL 31 -7.381 -3.177 -0.555 223 2HG1 VAL 31 HG12 VAL 31 -7.987 -1.724 -1.363 224 3HG1 VAL 31 HG13 VAL 31 -9.057 -3.082 -1.087 225 1HG2 VAL 31 HG21 VAL 31 -8.418 -3.703 1.905 226 2HG2 VAL 31 HG22 VAL 31 -9.925 -3.615 1.016 227 3HG2 VAL 31 HG23 VAL 31 -9.708 -2.616 2.432 228 H GLN 32 HN GLN 32 -7.311 1.248 1.623 229 HA GLN 32 HA GLN 32 -8.435 1.350 4.360 230 1HB GLN 32 HB2 GLN 32 -7.368 3.556 2.577 231 2HB GLN 32 HB1 GLN 32 -7.914 3.776 4.211 232 1HG GLN 32 HG2 GLN 32 -5.500 2.216 3.284 233 2HG GLN 32 HG1 GLN 32 -5.594 3.757 4.132 234 1HE2 GLN 32 HE21 GLN 32 -6.187 3.833 6.325 235 2HE2 GLN 32 HE22 GLN 32 -6.101 2.407 7.295 236 H VAL 33 HN VAL 33 -8.915 2.762 1.196 237 HA VAL 33 HA VAL 33 -11.731 3.399 1.870 238 HB VAL 33 HB VAL 33 -10.115 4.187 -0.583 239 1HG1 VAL 33 HG11 VAL 33 -12.874 4.956 0.417 240 2HG1 VAL 33 HG12 VAL 33 -12.432 4.241 -1.144 241 3HG1 VAL 33 HG13 VAL 33 -11.968 5.888 -0.771 242 1HG2 VAL 33 HG21 VAL 33 -9.177 5.195 1.449 243 2HG2 VAL 33 HG22 VAL 33 -10.778 5.828 1.874 244 3HG2 VAL 33 HG23 VAL 33 -9.963 6.382 0.413 245 1HG HSL 34 HG1 HSL 34 -13.122 -2.969 -0.311 246 2HG HSL 34 HG2 HSL 34 -12.655 -3.189 1.388 247 H HSL 34 HN HSL 34 -12.334 1.283 1.939 248 HA HSL 34 HA HSL 34 -13.039 0.293 -0.444 249 1HB HSL 34 HB1 HSL 34 -11.384 -1.346 1.373 250 2HB HSL 34 HB2 HSL 34 -11.527 -1.395 -0.388 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 3.045 3.670 -12.207 2 2H ALA 1 HT2 ALA 1 1.897 4.900 -11.941 3 3H ALA 1 HT3 ALA 1 1.892 4.040 -13.390 4 HA ALA 1 HA ALA 1 0.101 3.291 -12.028 5 1HB ALA 1 HB1 ALA 1 1.175 1.710 -13.520 6 2HB ALA 1 HB2 ALA 1 0.582 0.887 -12.082 7 3HB ALA 1 HB3 ALA 1 2.313 1.234 -12.263 8 H CYS 2 HN CYS 2 -0.711 3.053 -10.137 9 HA CYS 2 HA CYS 2 1.025 3.288 -7.766 10 1HB CYS 2 HB2 CYS 2 -0.964 3.873 -6.608 11 2HB CYS 2 HB1 CYS 2 -0.994 4.738 -8.112 12 H GLY 3 HN GLY 3 0.894 1.862 -6.068 13 1HA GLY 3 HA2 GLY 3 0.364 -0.835 -6.405 14 2HA GLY 3 HA1 GLY 3 0.445 0.002 -4.858 15 H ILE 4 HN ILE 4 -1.403 -2.044 -6.077 16 HA ILE 4 HA ILE 4 -3.993 -0.677 -5.678 17 HB ILE 4 HB ILE 4 -4.939 -2.661 -6.987 18 1HG1 ILE 4 HG12 ILE 4 -2.027 -2.975 -7.775 19 2HG1 ILE 4 HG11 ILE 4 -2.957 -4.140 -6.812 20 1HG2 ILE 4 HG21 ILE 4 -4.721 -0.382 -7.845 21 2HG2 ILE 4 HG22 ILE 4 -4.571 -1.619 -9.077 22 3HG2 ILE 4 HG23 ILE 4 -3.123 -0.789 -8.486 23 1HD1 ILE 4 HD11 ILE 4 -3.402 -3.381 -9.683 24 2HD1 ILE 4 HD12 ILE 4 -4.478 -4.426 -8.740 25 3HD1 ILE 4 HD13 ILE 4 -2.808 -4.902 -9.028 26 H LEU 5 HN LEU 5 -5.671 -2.543 -5.332 27 HA LEU 5 HA LEU 5 -5.962 -2.577 -2.732 28 1HB LEU 5 HB2 LEU 5 -7.625 -4.383 -2.906 29 2HB LEU 5 HB1 LEU 5 -7.786 -3.115 -4.095 30 HG LEU 5 HG LEU 5 -6.378 -5.687 -4.836 31 1HD1 LEU 5 HD11 LEU 5 -8.553 -6.319 -3.879 32 2HD1 LEU 5 HD12 LEU 5 -8.474 -6.568 -5.619 33 3HD1 LEU 5 HD13 LEU 5 -9.357 -5.183 -4.978 34 1HD2 LEU 5 HD21 LEU 5 -7.623 -3.368 -6.295 35 2HD2 LEU 5 HD22 LEU 5 -7.563 -4.965 -7.039 36 3HD2 LEU 5 HD23 LEU 5 -6.083 -4.191 -6.535 37 H HIS 6 HN HIS 6 -4.270 -5.185 -4.407 38 HA HIS 6 HA HIS 6 -3.111 -5.938 -1.784 39 1HB HIS 6 HB2 HIS 6 -3.538 -8.300 -2.112 40 2HB HIS 6 HB1 HIS 6 -5.062 -7.429 -2.186 41 HD1 HIS 6 HD1 HIS 6 -2.554 -9.089 -4.494 42 HD2 HIS 6 HD2 HIS 6 -6.529 -7.867 -4.449 43 HE1 HIS 6 HE1 HIS 6 -3.532 -9.923 -6.635 44 HE2 HIS 6 HE2 HIS 6 -5.968 -9.283 -6.538 45 H ASP 7 HN ASP 7 -1.999 -4.417 -3.773 46 HA ASP 7 HA ASP 7 -0.155 -6.188 -5.232 47 1HB ASP 7 HB2 ASP 7 -1.120 -4.127 -6.248 48 2HB ASP 7 HB1 ASP 7 -0.160 -3.138 -5.188 49 H ASN 8 HN ASN 8 1.954 -6.281 -4.863 50 HA ASN 8 HA ASN 8 2.678 -6.198 -2.104 51 1HB ASN 8 HB2 ASN 8 4.730 -7.266 -2.759 52 2HB ASN 8 HB1 ASN 8 3.407 -7.949 -3.692 53 1HD2 ASN 8 HD21 ASN 8 6.340 -6.109 -3.824 54 2HD2 ASN 8 HD22 ASN 8 6.418 -6.032 -5.548 55 H CYS 9 HN CYS 9 3.931 -4.864 -1.020 56 HA CYS 9 HA CYS 9 5.809 -3.063 -2.174 57 1HB CYS 9 HB2 CYS 9 4.757 -0.975 -1.817 58 2HB CYS 9 HB1 CYS 9 3.580 -1.914 -2.690 59 H VAL 10 HN VAL 10 6.505 -1.420 -0.521 60 HA VAL 10 HA VAL 10 6.708 -2.788 2.124 61 HB VAL 10 HB VAL 10 8.616 -0.779 0.859 62 1HG1 VAL 10 HG11 VAL 10 8.714 -2.405 3.418 63 2HG1 VAL 10 HG12 VAL 10 8.810 -0.645 3.232 64 3HG1 VAL 10 HG13 VAL 10 10.126 -1.659 2.677 65 1HG2 VAL 10 HG21 VAL 10 8.915 -3.783 1.098 66 2HG2 VAL 10 HG22 VAL 10 10.114 -2.639 0.498 67 3HG2 VAL 10 HG23 VAL 10 8.621 -2.884 -0.401 68 H TYR 11 HN TYR 11 6.456 -1.654 3.928 69 HA TYR 11 HA TYR 11 4.524 0.443 3.858 70 1HB TYR 11 HB2 TYR 11 4.595 -1.167 5.661 71 2HB TYR 11 HB1 TYR 11 6.183 -0.627 6.137 72 HD1 TYR 11 HD1 TYR 11 6.372 1.024 7.811 73 HD2 TYR 11 HD2 TYR 11 2.673 0.621 5.719 74 HE1 TYR 11 HE1 TYR 11 5.329 2.638 9.323 75 HE2 TYR 11 HE2 TYR 11 1.641 2.238 7.219 76 HH TYR 11 HH TYR 11 3.157 4.332 9.011 77 H VAL 12 HN VAL 12 5.540 1.877 2.497 78 HA VAL 12 HA VAL 12 7.293 3.791 3.954 79 HB VAL 12 HB VAL 12 8.302 4.419 1.783 80 1HG1 VAL 12 HG11 VAL 12 9.863 2.596 1.653 81 2HG1 VAL 12 HG12 VAL 12 8.778 1.549 2.565 82 3HG1 VAL 12 HG13 VAL 12 9.501 2.973 3.334 83 1HG2 VAL 12 HG21 VAL 12 6.792 2.011 0.766 84 2HG2 VAL 12 HG22 VAL 12 8.213 2.638 -0.022 85 3HG2 VAL 12 HG23 VAL 12 6.793 3.639 0.120 86 HA PRO 13 HA PRO 13 3.135 5.539 2.937 87 1HB PRO 13 HB2 PRO 13 3.255 7.294 5.100 88 2HB PRO 13 HB1 PRO 13 2.561 5.675 5.117 89 1HG PRO 13 HG2 PRO 13 5.259 6.569 6.030 90 2HG PRO 13 HG1 PRO 13 4.136 5.412 6.768 91 1HD PRO 13 HD2 PRO 13 6.272 4.626 5.416 92 2HD PRO 13 HD1 PRO 13 4.759 3.694 5.352 93 H ALA 14 HN ALA 14 6.047 7.200 4.047 94 HA ALA 14 HA ALA 14 5.425 9.749 2.956 95 1HB ALA 14 HB1 ALA 14 7.763 10.279 3.418 96 2HB ALA 14 HB2 ALA 14 8.119 8.559 3.676 97 3HB ALA 14 HB3 ALA 14 7.021 9.409 4.757 98 H GLN 15 HN GLN 15 6.815 6.853 1.720 99 HA GLN 15 HA GLN 15 7.240 8.117 -0.924 100 1HB GLN 15 HB2 GLN 15 8.546 5.775 0.466 101 2HB GLN 15 HB1 GLN 15 8.749 6.033 -1.255 102 1HG GLN 15 HG2 GLN 15 9.517 8.031 0.900 103 2HG GLN 15 HG1 GLN 15 10.595 6.826 0.202 104 1HE2 GLN 15 HE21 GLN 15 11.988 8.423 -0.602 105 2HE2 GLN 15 HE22 GLN 15 11.541 9.369 -1.977 106 H ASN 16 HN ASN 16 4.743 7.387 0.041 107 HA ASN 16 HA ASN 16 3.892 4.801 -0.426 108 1HB ASN 16 HB2 ASN 16 2.621 6.617 0.699 109 2HB ASN 16 HB1 ASN 16 2.217 7.305 -0.855 110 1HD2 ASN 16 HD21 ASN 16 0.333 6.415 1.078 111 2HD2 ASN 16 HD22 ASN 16 -0.481 5.050 0.401 112 HA PRO 17 HA PRO 17 4.051 4.942 -4.959 113 1HB PRO 17 HB2 PRO 17 4.778 2.373 -5.256 114 2HB PRO 17 HB1 PRO 17 5.900 3.595 -4.660 115 1HG PRO 17 HG2 PRO 17 4.541 1.432 -3.176 116 2HG PRO 17 HG1 PRO 17 6.092 2.223 -2.856 117 1HD PRO 17 HD2 PRO 17 3.543 2.760 -1.658 118 2HD PRO 17 HD1 PRO 17 5.118 3.518 -1.344 119 H CYS 18 HN CYS 18 1.908 3.981 -2.806 120 HA CYS 18 HA CYS 18 0.266 2.267 -4.501 121 1HB CYS 18 HB2 CYS 18 0.984 1.740 -2.100 122 2HB CYS 18 HB1 CYS 18 -0.223 2.902 -1.600 123 H CYS 19 HN CYS 19 -1.943 2.730 -4.692 124 HA CYS 19 HA CYS 19 -2.462 5.474 -5.239 125 1HB CYS 19 HB2 CYS 19 -3.996 2.960 -5.360 126 2HB CYS 19 HB1 CYS 19 -4.991 4.382 -5.076 127 H ARG 20 HN ARG 20 -3.516 6.963 -4.261 128 HA ARG 20 HA ARG 20 -3.264 7.066 -1.431 129 1HB ARG 20 HB2 ARG 20 -3.009 8.988 -2.929 130 2HB ARG 20 HB1 ARG 20 -4.731 8.960 -3.313 131 1HG ARG 20 HG2 ARG 20 -5.321 9.568 -1.071 132 2HG ARG 20 HG1 ARG 20 -3.666 9.320 -0.491 133 1HD ARG 20 HD2 ARG 20 -2.919 11.185 -1.920 134 2HD ARG 20 HD1 ARG 20 -4.571 11.409 -2.473 135 HE ARG 20 HE ARG 20 -5.241 12.100 -0.295 136 1HH1 ARG 20 HH11 ARG 20 -1.743 11.811 -0.686 137 2HH1 ARG 20 HH12 ARG 20 -1.416 12.953 0.548 138 1HH2 ARG 20 HH21 ARG 20 -4.740 13.595 1.358 139 2HH2 ARG 20 HH22 ARG 20 -3.086 13.961 1.718 140 H GLY 21 HN GLY 21 -4.450 5.998 -0.147 141 1HA GLY 21 HA2 GLY 21 -6.771 5.988 0.802 142 2HA GLY 21 HA1 GLY 21 -7.327 5.471 -0.786 143 H LEU 22 HN LEU 22 -4.489 4.066 -0.736 144 HA LEU 22 HA LEU 22 -5.403 1.663 0.759 145 1HB LEU 22 HB2 LEU 22 -3.634 1.877 -1.684 146 2HB LEU 22 HB1 LEU 22 -3.969 0.380 -0.814 147 HG LEU 22 HG LEU 22 -6.440 0.808 -1.396 148 1HD1 LEU 22 HD11 LEU 22 -6.580 2.133 -3.600 149 2HD1 LEU 22 HD12 LEU 22 -5.122 2.925 -3.059 150 3HD1 LEU 22 HD13 LEU 22 -6.579 3.013 -2.100 151 1HD2 LEU 22 HD21 LEU 22 -6.231 -0.283 -3.457 152 2HD2 LEU 22 HD22 LEU 22 -4.883 -0.838 -2.470 153 3HD2 LEU 22 HD23 LEU 22 -4.610 0.351 -3.748 154 H GLN 23 HN GLN 23 -4.258 0.945 2.268 155 HA GLN 23 HA GLN 23 -1.925 2.418 3.184 156 1HB GLN 23 HB2 GLN 23 -3.337 -0.015 4.357 157 2HB GLN 23 HB1 GLN 23 -2.060 0.946 5.136 158 1HG GLN 23 HG2 GLN 23 -3.524 2.892 5.202 159 2HG GLN 23 HG1 GLN 23 -4.790 2.002 4.343 160 1HE2 GLN 23 HE21 GLN 23 -2.756 0.518 6.849 161 2HE2 GLN 23 HE22 GLN 23 -4.043 0.375 7.963 162 H CYS 24 HN CYS 24 -0.361 2.033 1.764 163 HA CYS 24 HA CYS 24 0.571 -0.552 1.007 164 1HB CYS 24 HB2 CYS 24 1.198 1.342 -0.262 165 2HB CYS 24 HB1 CYS 24 1.971 2.125 1.080 166 H ARG 25 HN ARG 25 0.868 -1.930 2.526 167 HA ARG 25 HA ARG 25 2.461 -1.178 4.928 168 1HB ARG 25 HB2 ARG 25 0.082 -1.696 5.299 169 2HB ARG 25 HB1 ARG 25 0.298 -3.289 4.578 170 1HG ARG 25 HG2 ARG 25 1.650 -4.029 6.389 171 2HG ARG 25 HG1 ARG 25 1.839 -2.389 7.033 172 1HD ARG 25 HD2 ARG 25 -0.408 -2.287 7.703 173 2HD ARG 25 HD1 ARG 25 -0.851 -3.720 6.791 174 HE ARG 25 HE ARG 25 0.592 -5.021 8.337 175 1HH1 ARG 25 HH11 ARG 25 -0.822 -1.969 9.422 176 2HH1 ARG 25 HH12 ARG 25 -0.918 -2.493 11.050 177 1HH2 ARG 25 HH21 ARG 25 0.439 -5.649 10.509 178 2HH2 ARG 25 HH22 ARG 25 -0.211 -4.555 11.685 179 H TYR 26 HN TYR 26 3.595 -2.992 5.897 180 HA TYR 26 HA TYR 26 5.599 -3.890 4.288 181 1HB TYR 26 HB2 TYR 26 4.558 -5.132 6.848 182 2HB TYR 26 HB1 TYR 26 6.078 -5.607 6.083 183 HD1 TYR 26 HD1 TYR 26 7.761 -3.635 5.585 184 HD2 TYR 26 HD2 TYR 26 4.609 -3.472 8.478 185 HE1 TYR 26 HE1 TYR 26 8.946 -1.861 6.789 186 HE2 TYR 26 HE2 TYR 26 5.801 -1.699 9.668 187 HH TYR 26 HH TYR 26 7.525 0.054 9.180 188 H GLY 27 HN GLY 27 5.206 -4.823 2.446 189 1HA GLY 27 HA2 GLY 27 5.349 -7.021 1.501 190 2HA GLY 27 HA1 GLY 27 4.044 -7.574 2.530 191 H LYS 28 HN LYS 28 2.378 -5.223 2.130 192 HA LYS 28 HA LYS 28 1.724 -5.158 -0.673 193 1HB LYS 28 HB2 LYS 28 -0.432 -6.331 -0.468 194 2HB LYS 28 HB1 LYS 28 0.938 -7.391 -0.145 195 1HG LYS 28 HG2 LYS 28 0.595 -7.259 2.235 196 2HG LYS 28 HG1 LYS 28 -0.707 -6.066 2.038 197 1HD LYS 28 HD2 LYS 28 -2.056 -7.725 0.832 198 2HD LYS 28 HD1 LYS 28 -0.763 -8.924 1.024 199 1HE LYS 28 HE2 LYS 28 -1.013 -8.892 3.409 200 2HE LYS 28 HE1 LYS 28 -2.165 -7.574 3.333 201 1HZ LYS 28 HZ1 LYS 28 -3.257 -9.667 3.639 202 2HZ LYS 28 HZ2 LYS 28 -2.567 -10.310 2.239 203 3HZ LYS 28 HZ3 LYS 28 -3.697 -9.041 2.133 204 H CYS 29 HN CYS 29 -0.064 -3.982 -1.192 205 HA CYS 29 HA CYS 29 -0.756 -1.837 0.610 206 1HB CYS 29 HB2 CYS 29 -1.656 -2.623 -2.137 207 2HB CYS 29 HB1 CYS 29 -2.404 -1.275 -1.281 208 H LEU 30 HN LEU 30 -2.489 -1.628 1.768 209 HA LEU 30 HA LEU 30 -4.638 -3.658 1.545 210 1HB LEU 30 HB2 LEU 30 -3.546 -2.314 4.036 211 2HB LEU 30 HB1 LEU 30 -5.008 -3.305 3.994 212 HG LEU 30 HG LEU 30 -2.202 -4.282 3.386 213 1HD1 LEU 30 HD11 LEU 30 -2.638 -3.696 5.773 214 2HD1 LEU 30 HD12 LEU 30 -2.319 -5.401 5.480 215 3HD1 LEU 30 HD13 LEU 30 -3.971 -4.861 5.771 216 1HD2 LEU 30 HD21 LEU 30 -3.707 -6.480 3.836 217 2HD2 LEU 30 HD22 LEU 30 -3.366 -5.830 2.241 218 3HD2 LEU 30 HD23 LEU 30 -4.903 -5.480 3.029 219 H VAL 31 HN VAL 31 -6.211 -2.816 0.661 220 HA VAL 31 HA VAL 31 -6.865 -0.039 0.646 221 HB VAL 31 HB VAL 31 -7.618 -1.495 -1.147 222 1HG1 VAL 31 HG11 VAL 31 -9.272 -3.186 -0.887 223 2HG1 VAL 31 HG12 VAL 31 -9.475 -2.856 0.822 224 3HG1 VAL 31 HG13 VAL 31 -7.970 -3.560 0.225 225 1HG2 VAL 31 HG21 VAL 31 -10.097 -0.562 0.313 226 2HG2 VAL 31 HG22 VAL 31 -9.797 -0.673 -1.413 227 3HG2 VAL 31 HG23 VAL 31 -8.962 0.552 -0.470 228 H GLN 32 HN GLN 32 -7.984 1.108 1.976 229 HA GLN 32 HA GLN 32 -8.682 0.060 4.584 230 1HB GLN 32 HB2 GLN 32 -9.380 2.364 5.104 231 2HB GLN 32 HB1 GLN 32 -7.757 2.255 4.421 232 1HG GLN 32 HG2 GLN 32 -8.591 3.006 2.251 233 2HG GLN 32 HG1 GLN 32 -10.223 3.091 2.862 234 1HE2 GLN 32 HE21 GLN 32 -10.421 5.267 2.396 235 2HE2 GLN 32 HE22 GLN 32 -9.582 6.452 3.332 236 H VAL 33 HN VAL 33 -10.049 -1.516 3.490 237 HA VAL 33 HA VAL 33 -12.654 -0.664 2.502 238 HB VAL 33 HB VAL 33 -11.528 -2.567 1.437 239 1HG1 VAL 33 HG11 VAL 33 -11.103 -4.620 2.487 240 2HG1 VAL 33 HG12 VAL 33 -11.904 -4.165 3.973 241 3HG1 VAL 33 HG13 VAL 33 -10.370 -3.416 3.527 242 1HG2 VAL 33 HG21 VAL 33 -14.048 -2.405 1.567 243 2HG2 VAL 33 HG22 VAL 33 -13.976 -3.603 2.869 244 3HG2 VAL 33 HG23 VAL 33 -13.374 -4.000 1.271 245 1HG HSL 34 HG1 HSL 34 -14.166 2.641 8.084 246 2HG HSL 34 HG2 HSL 34 -14.120 1.164 9.069 247 H HSL 34 HN HSL 34 -12.690 0.475 4.652 248 HA HSL 34 HA HSL 34 -13.496 -1.003 6.708 249 1HB HSL 34 HB1 HSL 34 -12.337 0.583 7.840 250 2HB HSL 34 HB2 HSL 34 -12.667 1.831 6.633 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 2.317 2.568 -12.170 2 2H ALA 1 HT2 ALA 1 2.681 4.187 -11.785 3 3H ALA 1 HT3 ALA 1 2.037 3.802 -13.294 4 HA ALA 1 HA ALA 1 0.346 4.789 -11.934 5 1HB ALA 1 HB1 ALA 1 -0.103 1.824 -12.395 6 2HB ALA 1 HB2 ALA 1 -0.286 3.110 -13.583 7 3HB ALA 1 HB3 ALA 1 -1.368 3.053 -12.196 8 H CYS 2 HN CYS 2 -1.102 4.563 -10.206 9 HA CYS 2 HA CYS 2 0.242 4.114 -7.726 10 1HB CYS 2 HB2 CYS 2 -1.814 4.762 -6.721 11 2HB CYS 2 HB1 CYS 2 -1.515 5.786 -8.053 12 H GLY 3 HN GLY 3 0.430 2.401 -6.587 13 1HA GLY 3 HA2 GLY 3 -0.074 -0.158 -7.420 14 2HA GLY 3 HA1 GLY 3 0.244 0.293 -5.761 15 H ILE 4 HN ILE 4 -1.533 -1.699 -7.000 16 HA ILE 4 HA ILE 4 -4.264 -0.814 -6.554 17 HB ILE 4 HB ILE 4 -4.914 -3.118 -7.076 18 1HG1 ILE 4 HG12 ILE 4 -1.959 -3.711 -7.300 19 2HG1 ILE 4 HG11 ILE 4 -2.938 -4.277 -5.955 20 1HG2 ILE 4 HG21 ILE 4 -2.809 -2.104 -9.001 21 2HG2 ILE 4 HG22 ILE 4 -4.476 -1.522 -8.881 22 3HG2 ILE 4 HG23 ILE 4 -4.169 -3.181 -9.355 23 1HD1 ILE 4 HD11 ILE 4 -4.306 -5.528 -7.613 24 2HD1 ILE 4 HD12 ILE 4 -2.621 -6.021 -7.479 25 3HD1 ILE 4 HD13 ILE 4 -3.132 -5.041 -8.848 26 H LEU 5 HN LEU 5 -5.684 -2.144 -5.335 27 HA LEU 5 HA LEU 5 -5.380 -1.564 -2.672 28 1HB LEU 5 HB2 LEU 5 -7.435 -2.734 -2.322 29 2HB LEU 5 HB1 LEU 5 -7.527 -1.843 -3.802 30 HG LEU 5 HG LEU 5 -6.915 -4.803 -3.743 31 1HD1 LEU 5 HD11 LEU 5 -9.222 -5.249 -4.133 32 2HD1 LEU 5 HD12 LEU 5 -9.630 -3.544 -3.955 33 3HD1 LEU 5 HD13 LEU 5 -9.018 -4.466 -2.569 34 1HD2 LEU 5 HD21 LEU 5 -7.763 -2.836 -5.866 35 2HD2 LEU 5 HD22 LEU 5 -8.021 -4.572 -6.032 36 3HD2 LEU 5 HD23 LEU 5 -6.394 -3.955 -5.852 37 H HIS 6 HN HIS 6 -4.052 -4.253 -4.227 38 HA HIS 6 HA HIS 6 -3.043 -5.227 -1.674 39 1HB HIS 6 HB2 HIS 6 -3.655 -7.557 -2.181 40 2HB HIS 6 HB1 HIS 6 -5.072 -6.534 -2.013 41 HD1 HIS 6 HD1 HIS 6 -2.975 -8.110 -4.778 42 HD2 HIS 6 HD2 HIS 6 -6.817 -6.730 -4.064 43 HE1 HIS 6 HE1 HIS 6 -4.263 -8.587 -6.870 44 HE2 HIS 6 HE2 HIS 6 -6.609 -7.807 -6.387 45 H ASP 7 HN ASP 7 -1.728 -3.745 -3.512 46 HA ASP 7 HA ASP 7 -0.128 -5.620 -5.130 47 1HB ASP 7 HB2 ASP 7 -0.677 -3.402 -6.039 48 2HB ASP 7 HB1 ASP 7 0.168 -2.606 -4.757 49 H ASN 8 HN ASN 8 1.985 -6.001 -4.843 50 HA ASN 8 HA ASN 8 2.875 -6.100 -2.102 51 1HB ASN 8 HB2 ASN 8 4.146 -6.919 -4.731 52 2HB ASN 8 HB1 ASN 8 4.973 -7.104 -3.179 53 1HD2 ASN 8 HD21 ASN 8 5.093 -9.327 -3.411 54 2HD2 ASN 8 HD22 ASN 8 3.689 -10.317 -3.233 55 H CYS 9 HN CYS 9 3.774 -4.558 -1.100 56 HA CYS 9 HA CYS 9 5.851 -2.905 -2.309 57 1HB CYS 9 HB2 CYS 9 4.641 -0.772 -1.655 58 2HB CYS 9 HB1 CYS 9 3.971 -1.636 -3.027 59 H VAL 10 HN VAL 10 6.990 -1.721 -0.891 60 HA VAL 10 HA VAL 10 7.192 -2.968 1.740 61 HB VAL 10 HB VAL 10 9.208 -2.481 0.381 62 1HG1 VAL 10 HG11 VAL 10 10.027 -0.333 -0.009 63 2HG1 VAL 10 HG12 VAL 10 8.842 0.438 1.026 64 3HG1 VAL 10 HG13 VAL 10 8.350 -0.254 -0.524 65 1HG2 VAL 10 HG21 VAL 10 9.286 -2.684 2.877 66 2HG2 VAL 10 HG22 VAL 10 9.238 -0.914 2.971 67 3HG2 VAL 10 HG23 VAL 10 10.573 -1.722 2.163 68 H TYR 11 HN TYR 11 7.252 -1.822 3.619 69 HA TYR 11 HA TYR 11 4.980 -0.104 3.941 70 1HB TYR 11 HB2 TYR 11 5.599 -0.209 6.392 71 2HB TYR 11 HB1 TYR 11 5.317 -1.738 5.602 72 HD1 TYR 11 HD1 TYR 11 7.734 0.271 7.398 73 HD2 TYR 11 HD2 TYR 11 7.303 -3.206 4.945 74 HE1 TYR 11 HE1 TYR 11 9.916 -0.548 8.146 75 HE2 TYR 11 HE2 TYR 11 9.441 -4.038 5.738 76 HH TYR 11 HH TYR 11 11.682 -2.665 6.692 77 H VAL 12 HN VAL 12 6.042 1.444 2.439 78 HA VAL 12 HA VAL 12 7.391 3.535 4.046 79 HB VAL 12 HB VAL 12 8.954 2.742 2.391 80 1HG1 VAL 12 HG11 VAL 12 7.206 1.924 0.730 81 2HG1 VAL 12 HG12 VAL 12 8.604 2.749 0.083 82 3HG1 VAL 12 HG13 VAL 12 7.078 3.598 0.185 83 1HG2 VAL 12 HG21 VAL 12 7.916 5.420 1.475 84 2HG2 VAL 12 HG22 VAL 12 9.560 4.819 1.480 85 3HG2 VAL 12 HG23 VAL 12 8.772 5.195 3.005 86 HA PRO 13 HA PRO 13 3.167 4.906 2.994 87 1HB PRO 13 HB2 PRO 13 2.913 6.494 5.207 88 2HB PRO 13 HB1 PRO 13 2.602 4.759 5.179 89 1HG PRO 13 HG2 PRO 13 5.044 6.207 6.122 90 2HG PRO 13 HG1 PRO 13 4.179 4.844 6.856 91 1HD PRO 13 HD2 PRO 13 6.441 4.545 5.458 92 2HD PRO 13 HD1 PRO 13 5.175 3.295 5.494 93 H ALA 14 HN ALA 14 5.924 6.768 4.130 94 HA ALA 14 HA ALA 14 5.049 9.345 3.457 95 1HB ALA 14 HB1 ALA 14 7.392 9.986 3.653 96 2HB ALA 14 HB2 ALA 14 7.882 8.282 3.579 97 3HB ALA 14 HB3 ALA 14 6.921 8.870 4.930 98 H GLN 15 HN GLN 15 6.396 6.782 1.594 99 HA GLN 15 HA GLN 15 5.944 8.329 -0.878 100 1HB GLN 15 HB2 GLN 15 8.355 8.382 -0.435 101 2HB GLN 15 HB1 GLN 15 8.390 6.655 -0.153 102 1HG GLN 15 HG2 GLN 15 9.295 7.267 -2.314 103 2HG GLN 15 HG1 GLN 15 7.929 6.204 -2.509 104 1HE2 GLN 15 HE21 GLN 15 7.391 6.847 -4.580 105 2HE2 GLN 15 HE22 GLN 15 6.851 8.447 -4.945 106 H ASN 16 HN ASN 16 4.104 6.844 0.193 107 HA ASN 16 HA ASN 16 4.121 4.097 -0.466 108 1HB ASN 16 HB2 ASN 16 1.675 4.165 -0.179 109 2HB ASN 16 HB1 ASN 16 2.546 4.935 1.119 110 1HD2 ASN 16 HD21 ASN 16 -0.240 5.271 0.134 111 2HD2 ASN 16 HD22 ASN 16 -0.376 6.970 -0.144 112 HA PRO 17 HA PRO 17 3.815 4.691 -4.898 113 1HB PRO 17 HB2 PRO 17 4.295 2.111 -5.543 114 2HB PRO 17 HB1 PRO 17 5.552 3.185 -4.927 115 1HG PRO 17 HG2 PRO 17 3.980 1.107 -3.444 116 2HG PRO 17 HG1 PRO 17 5.719 1.453 -3.407 117 1HD PRO 17 HD2 PRO 17 3.967 2.323 -1.534 118 2HD PRO 17 HD1 PRO 17 5.489 3.151 -1.923 119 H CYS 18 HN CYS 18 1.891 2.968 -2.732 120 HA CYS 18 HA CYS 18 0.057 1.818 -4.568 121 1HB CYS 18 HB2 CYS 18 0.612 1.053 -2.244 122 2HB CYS 18 HB1 CYS 18 -0.411 2.324 -1.620 123 H CYS 19 HN CYS 19 -2.177 2.368 -4.621 124 HA CYS 19 HA CYS 19 -2.498 5.120 -5.288 125 1HB CYS 19 HB2 CYS 19 -3.716 2.819 -6.081 126 2HB CYS 19 HB1 CYS 19 -4.932 3.426 -4.981 127 H ARG 20 HN ARG 20 -3.867 6.589 -4.524 128 HA ARG 20 HA ARG 20 -3.640 6.895 -1.681 129 1HB ARG 20 HB2 ARG 20 -4.874 8.499 -3.914 130 2HB ARG 20 HB1 ARG 20 -5.251 8.930 -2.251 131 1HG ARG 20 HG2 ARG 20 -3.388 10.215 -3.232 132 2HG ARG 20 HG1 ARG 20 -2.980 9.382 -1.733 133 1HD ARG 20 HD2 ARG 20 -1.199 9.209 -3.308 134 2HD ARG 20 HD1 ARG 20 -1.848 7.598 -3.050 135 HE ARG 20 HE ARG 20 -3.187 8.507 -5.287 136 1HH1 ARG 20 HH11 ARG 20 0.208 8.165 -4.423 137 2HH1 ARG 20 HH12 ARG 20 0.696 7.987 -6.059 138 1HH2 ARG 20 HH21 ARG 20 -2.489 8.238 -7.425 139 2HH2 ARG 20 HH22 ARG 20 -0.803 8.019 -7.758 140 H GLY 21 HN GLY 21 -4.923 6.466 -0.133 141 1HA GLY 21 HA2 GLY 21 -6.998 5.944 0.853 142 2HA GLY 21 HA1 GLY 21 -7.650 5.427 -0.692 143 H LEU 22 HN LEU 22 -4.714 4.233 -0.865 144 HA LEU 22 HA LEU 22 -5.284 1.728 0.612 145 1HB LEU 22 HB2 LEU 22 -3.603 1.928 -1.864 146 2HB LEU 22 HB1 LEU 22 -4.358 0.505 -1.156 147 HG LEU 22 HG LEU 22 -5.812 2.743 -2.581 148 1HD1 LEU 22 HD11 LEU 22 -5.684 0.022 -3.680 149 2HD1 LEU 22 HD12 LEU 22 -4.248 0.990 -3.858 150 3HD1 LEU 22 HD13 LEU 22 -5.788 1.553 -4.469 151 1HD2 LEU 22 HD21 LEU 22 -7.133 1.477 -0.788 152 2HD2 LEU 22 HD22 LEU 22 -6.873 0.043 -1.781 153 3HD2 LEU 22 HD23 LEU 22 -7.742 1.417 -2.427 154 H GLN 23 HN GLN 23 -3.721 0.970 1.862 155 HA GLN 23 HA GLN 23 -1.249 2.642 2.047 156 1HB GLN 23 HB2 GLN 23 -2.980 1.556 4.287 157 2HB GLN 23 HB1 GLN 23 -1.359 2.248 4.521 158 1HG GLN 23 HG2 GLN 23 -2.204 4.382 3.503 159 2HG GLN 23 HG1 GLN 23 -3.821 3.665 3.469 160 1HE2 GLN 23 HE21 GLN 23 -1.267 4.936 5.503 161 2HE2 GLN 23 HE22 GLN 23 -2.251 5.070 6.916 162 H CYS 24 HN CYS 24 0.460 1.690 1.778 163 HA CYS 24 HA CYS 24 0.726 -1.122 1.470 164 1HB CYS 24 HB2 CYS 24 2.680 1.130 1.553 165 2HB CYS 24 HB1 CYS 24 3.219 -0.546 1.413 166 H ARG 25 HN ARG 25 0.448 -2.408 3.066 167 HA ARG 25 HA ARG 25 1.809 -1.928 5.633 168 1HB ARG 25 HB2 ARG 25 -0.530 -2.956 5.334 169 2HB ARG 25 HB1 ARG 25 0.275 -4.421 4.768 170 1HG ARG 25 HG2 ARG 25 1.500 -4.530 6.945 171 2HG ARG 25 HG1 ARG 25 0.603 -3.102 7.487 172 1HD ARG 25 HD2 ARG 25 -1.498 -4.410 7.044 173 2HD ARG 25 HD1 ARG 25 -0.471 -5.838 6.814 174 HE ARG 25 HE ARG 25 0.095 -4.541 9.289 175 1HH1 ARG 25 HH11 ARG 25 -2.331 -6.580 7.758 176 2HH1 ARG 25 HH12 ARG 25 -2.887 -7.205 9.260 177 1HH2 ARG 25 HH21 ARG 25 -0.640 -5.406 11.229 178 2HH2 ARG 25 HH22 ARG 25 -1.940 -6.552 11.231 179 H TYR 26 HN TYR 26 3.316 -3.364 6.385 180 HA TYR 26 HA TYR 26 5.480 -3.836 4.844 181 1HB TYR 26 HB2 TYR 26 5.999 -5.754 6.657 182 2HB TYR 26 HB1 TYR 26 6.054 -4.041 7.010 183 HD1 TYR 26 HD1 TYR 26 4.359 -2.950 8.368 184 HD2 TYR 26 HD2 TYR 26 4.166 -7.150 7.564 185 HE1 TYR 26 HE1 TYR 26 2.729 -3.224 10.165 186 HE2 TYR 26 HE2 TYR 26 2.529 -7.408 9.371 187 HH TYR 26 HH TYR 26 2.013 -5.908 11.643 188 H GLY 27 HN GLY 27 5.074 -4.603 2.901 189 1HA GLY 27 HA2 GLY 27 5.667 -6.640 1.717 190 2HA GLY 27 HA1 GLY 27 4.507 -7.531 2.684 191 H LYS 28 HN LYS 28 2.365 -5.751 2.640 192 HA LYS 28 HA LYS 28 1.619 -5.668 -0.233 193 1HB LYS 28 HB2 LYS 28 -0.414 -6.908 0.174 194 2HB LYS 28 HB1 LYS 28 0.991 -7.854 0.662 195 1HG LYS 28 HG2 LYS 28 0.569 -7.525 2.986 196 2HG LYS 28 HG1 LYS 28 -0.644 -6.289 2.684 197 1HD LYS 28 HD2 LYS 28 -1.804 -8.240 3.251 198 2HD LYS 28 HD1 LYS 28 -2.068 -7.978 1.529 199 1HE LYS 28 HE2 LYS 28 -1.652 -10.239 1.698 200 2HE LYS 28 HE1 LYS 28 -0.080 -9.653 1.203 201 1HZ LYS 28 HZ1 LYS 28 0.621 -9.745 3.549 202 2HZ LYS 28 HZ2 LYS 28 0.090 -11.241 2.978 203 3HZ LYS 28 HZ3 LYS 28 -0.913 -10.337 3.990 204 H CYS 29 HN CYS 29 0.258 -4.193 -0.781 205 HA CYS 29 HA CYS 29 -0.486 -2.128 1.093 206 1HB CYS 29 HB2 CYS 29 0.138 -1.599 -1.250 207 2HB CYS 29 HB1 CYS 29 -1.259 -2.437 -1.817 208 H LEU 30 HN LEU 30 -2.352 -1.735 1.942 209 HA LEU 30 HA LEU 30 -4.521 -3.698 1.456 210 1HB LEU 30 HB2 LEU 30 -3.802 -2.170 3.976 211 2HB LEU 30 HB1 LEU 30 -5.244 -3.171 3.786 212 HG LEU 30 HG LEU 30 -2.376 -4.150 3.726 213 1HD1 LEU 30 HD11 LEU 30 -3.080 -3.518 5.957 214 2HD1 LEU 30 HD12 LEU 30 -3.012 -5.273 5.800 215 3HD1 LEU 30 HD13 LEU 30 -4.571 -4.461 5.784 216 1HD2 LEU 30 HD21 LEU 30 -3.476 -6.395 3.788 217 2HD2 LEU 30 HD22 LEU 30 -3.648 -5.560 2.258 218 3HD2 LEU 30 HD23 LEU 30 -5.009 -5.622 3.393 219 H VAL 31 HN VAL 31 -6.382 -3.081 0.977 220 HA VAL 31 HA VAL 31 -6.919 -0.377 0.230 221 HB VAL 31 HB VAL 31 -7.920 -2.147 -1.015 222 1HG1 VAL 31 HG11 VAL 31 -9.697 -3.571 -0.132 223 2HG1 VAL 31 HG12 VAL 31 -9.357 -2.992 1.478 224 3HG1 VAL 31 HG13 VAL 31 -8.142 -3.896 0.593 225 1HG2 VAL 31 HG21 VAL 31 -10.244 -1.433 -1.095 226 2HG2 VAL 31 HG22 VAL 31 -9.158 -0.064 -0.991 227 3HG2 VAL 31 HG23 VAL 31 -10.031 -0.599 0.421 228 H GLN 32 HN GLN 32 -6.913 1.019 1.766 229 HA GLN 32 HA GLN 32 -7.948 0.484 4.393 230 1HB GLN 32 HB2 GLN 32 -6.019 2.084 3.760 231 2HB GLN 32 HB1 GLN 32 -7.244 3.213 3.232 232 1HG GLN 32 HG2 GLN 32 -6.573 3.822 5.408 233 2HG GLN 32 HG1 GLN 32 -8.219 3.224 5.522 234 1HE2 GLN 32 HE21 GLN 32 -6.089 3.433 7.575 235 2HE2 GLN 32 HE22 GLN 32 -5.909 1.825 8.181 236 H VAL 33 HN VAL 33 -8.798 2.519 1.703 237 HA VAL 33 HA VAL 33 -11.455 3.126 2.772 238 HB VAL 33 HB VAL 33 -11.808 4.324 0.622 239 1HG1 VAL 33 HG11 VAL 33 -10.226 6.101 1.017 240 2HG1 VAL 33 HG12 VAL 33 -9.215 5.048 2.003 241 3HG1 VAL 33 HG13 VAL 33 -10.843 5.491 2.548 242 1HG2 VAL 33 HG21 VAL 33 -10.601 3.257 -1.029 243 2HG2 VAL 33 HG22 VAL 33 -9.146 3.095 -0.075 244 3HG2 VAL 33 HG23 VAL 33 -9.605 4.657 -0.723 245 1HG HSL 34 HG1 HSL 34 -12.712 -3.695 1.874 246 2HG HSL 34 HG2 HSL 34 -12.951 -3.122 3.538 247 H HSL 34 HN HSL 34 -11.632 0.738 2.989 248 HA HSL 34 HA HSL 34 -12.303 -0.812 0.397 249 1HB HSL 34 HB1 HSL 34 -11.079 -2.165 1.744 250 2HB HSL 34 HB2 HSL 34 -11.617 -1.354 3.219 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 0.493 0.563 -13.922 2 2H ALA 1 HT2 ALA 1 1.799 1.287 -13.128 3 3H ALA 1 HT3 ALA 1 0.259 2.014 -13.091 4 HA ALA 1 HA ALA 1 -0.640 0.124 -11.883 5 1HB ALA 1 HB1 ALA 1 0.845 -1.619 -11.010 6 2HB ALA 1 HB2 ALA 1 2.220 -0.878 -11.855 7 3HB ALA 1 HB3 ALA 1 0.876 -1.552 -12.769 8 H CYS 2 HN CYS 2 -1.209 1.344 -10.279 9 HA CYS 2 HA CYS 2 0.798 2.678 -8.568 10 1HB CYS 2 HB2 CYS 2 -1.029 3.791 -7.545 11 2HB CYS 2 HB1 CYS 2 -1.424 3.736 -9.254 12 H GLY 3 HN GLY 3 0.021 2.426 -6.162 13 1HA GLY 3 HA2 GLY 3 0.267 -0.328 -5.442 14 2HA GLY 3 HA1 GLY 3 0.186 0.990 -4.364 15 H ILE 4 HN ILE 4 -1.444 -1.584 -5.537 16 HA ILE 4 HA ILE 4 -4.051 -0.600 -4.631 17 HB ILE 4 HB ILE 4 -5.123 -2.301 -6.106 18 1HG1 ILE 4 HG12 ILE 4 -2.933 -3.688 -6.390 19 2HG1 ILE 4 HG11 ILE 4 -3.965 -3.427 -7.776 20 1HG2 ILE 4 HG21 ILE 4 -5.076 0.027 -6.714 21 2HG2 ILE 4 HG22 ILE 4 -4.978 -1.022 -8.120 22 3HG2 ILE 4 HG23 ILE 4 -3.534 -0.204 -7.534 23 1HD1 ILE 4 HD11 ILE 4 -1.505 -1.801 -7.237 24 2HD1 ILE 4 HD12 ILE 4 -2.501 -1.773 -8.677 25 3HD1 ILE 4 HD13 ILE 4 -1.587 -3.208 -8.256 26 H LEU 5 HN LEU 5 -5.468 -2.579 -4.298 27 HA LEU 5 HA LEU 5 -4.950 -3.282 -1.735 28 1HB LEU 5 HB2 LEU 5 -6.900 -4.720 -1.829 29 2HB LEU 5 HB1 LEU 5 -7.161 -3.217 -2.686 30 HG LEU 5 HG LEU 5 -6.343 -5.650 -4.257 31 1HD1 LEU 5 HD11 LEU 5 -8.201 -6.389 -2.867 32 2HD1 LEU 5 HD12 LEU 5 -8.620 -6.261 -4.570 33 3HD1 LEU 5 HD13 LEU 5 -9.160 -5.014 -3.446 34 1HD2 LEU 5 HD21 LEU 5 -7.722 -3.044 -4.831 35 2HD2 LEU 5 HD22 LEU 5 -7.947 -4.449 -5.871 36 3HD2 LEU 5 HD23 LEU 5 -6.342 -3.805 -5.627 37 H HIS 6 HN HIS 6 -3.542 -4.825 -4.394 38 HA HIS 6 HA HIS 6 -2.365 -6.793 -2.565 39 1HB HIS 6 HB2 HIS 6 -2.719 -8.625 -4.214 40 2HB HIS 6 HB1 HIS 6 -4.212 -8.010 -3.526 41 HD1 HIS 6 HD1 HIS 6 -2.221 -7.853 -6.748 42 HD2 HIS 6 HD2 HIS 6 -6.071 -7.230 -5.341 43 HE1 HIS 6 HE1 HIS 6 -3.628 -7.453 -8.780 44 HE2 HIS 6 HE2 HIS 6 -5.923 -6.912 -7.897 45 H ASP 7 HN ASP 7 -1.382 -4.419 -3.561 46 HA ASP 7 HA ASP 7 0.625 -5.296 -5.556 47 1HB ASP 7 HB2 ASP 7 -0.326 -3.143 -5.998 48 2HB ASP 7 HB1 ASP 7 0.049 -2.546 -4.382 49 H ASN 8 HN ASN 8 2.131 -6.420 -4.698 50 HA ASN 8 HA ASN 8 2.950 -6.402 -2.022 51 1HB ASN 8 HB2 ASN 8 4.319 -7.372 -4.501 52 2HB ASN 8 HB1 ASN 8 5.044 -7.557 -2.900 53 1HD2 ASN 8 HD21 ASN 8 2.429 -8.548 -5.011 54 2HD2 ASN 8 HD22 ASN 8 1.965 -9.904 -4.049 55 H CYS 9 HN CYS 9 4.089 -5.133 -0.883 56 HA CYS 9 HA CYS 9 5.841 -3.133 -1.858 57 1HB CYS 9 HB2 CYS 9 3.774 -2.176 -2.736 58 2HB CYS 9 HB1 CYS 9 2.980 -2.325 -1.175 59 H VAL 10 HN VAL 10 6.892 -2.199 -0.284 60 HA VAL 10 HA VAL 10 6.424 -3.238 2.457 61 HB VAL 10 HB VAL 10 8.716 -2.337 2.930 62 1HG1 VAL 10 HG11 VAL 10 8.370 -4.680 2.328 63 2HG1 VAL 10 HG12 VAL 10 9.905 -4.047 1.746 64 3HG1 VAL 10 HG13 VAL 10 8.571 -4.267 0.616 65 1HG2 VAL 10 HG21 VAL 10 10.124 -1.634 1.127 66 2HG2 VAL 10 HG22 VAL 10 8.739 -0.580 1.150 67 3HG2 VAL 10 HG23 VAL 10 8.853 -1.849 -0.061 68 H TYR 11 HN TYR 11 7.262 -1.630 4.086 69 HA TYR 11 HA TYR 11 5.394 0.440 4.324 70 1HB TYR 11 HB2 TYR 11 6.718 1.056 6.400 71 2HB TYR 11 HB1 TYR 11 6.165 -0.607 6.299 72 HD1 TYR 11 HD1 TYR 11 9.052 1.504 6.728 73 HD2 TYR 11 HD2 TYR 11 7.814 -2.417 5.534 74 HE1 TYR 11 HE1 TYR 11 11.330 0.665 7.060 75 HE2 TYR 11 HE2 TYR 11 10.087 -3.229 5.852 76 HH TYR 11 HH TYR 11 12.547 -1.954 5.800 77 H VAL 12 HN VAL 12 5.777 1.465 2.303 78 HA VAL 12 HA VAL 12 7.799 3.644 2.572 79 HB VAL 12 HB VAL 12 7.845 3.788 0.088 80 1HG1 VAL 12 HG11 VAL 12 9.685 2.738 1.156 81 2HG1 VAL 12 HG12 VAL 12 9.261 1.771 -0.251 82 3HG1 VAL 12 HG13 VAL 12 8.801 1.227 1.356 83 1HG2 VAL 12 HG21 VAL 12 7.132 1.819 -1.207 84 2HG2 VAL 12 HG22 VAL 12 5.759 2.638 -0.507 85 3HG2 VAL 12 HG23 VAL 12 6.368 1.155 0.213 86 HA PRO 13 HA PRO 13 3.538 5.429 2.536 87 1HB PRO 13 HB2 PRO 13 4.419 6.928 4.891 88 2HB PRO 13 HB1 PRO 13 3.096 5.776 4.706 89 1HG PRO 13 HG2 PRO 13 5.329 5.279 6.171 90 2HG PRO 13 HG1 PRO 13 4.361 4.008 5.400 91 1HD PRO 13 HD2 PRO 13 6.946 5.244 4.499 92 2HD PRO 13 HD1 PRO 13 6.384 3.587 4.518 93 H ALA 14 HN ALA 14 6.675 6.837 3.305 94 HA ALA 14 HA ALA 14 6.139 9.507 2.621 95 1HB ALA 14 HB1 ALA 14 8.019 8.799 3.990 96 2HB ALA 14 HB2 ALA 14 8.565 9.774 2.631 97 3HB ALA 14 HB3 ALA 14 8.775 8.011 2.610 98 H GLN 15 HN GLN 15 6.689 6.692 0.775 99 HA GLN 15 HA GLN 15 6.697 8.280 -1.737 100 1HB GLN 15 HB2 GLN 15 8.121 5.654 -1.149 101 2HB GLN 15 HB1 GLN 15 8.110 6.522 -2.700 102 1HG GLN 15 HG2 GLN 15 9.389 8.326 -1.769 103 2HG GLN 15 HG1 GLN 15 9.293 7.636 -0.144 104 1HE2 GLN 15 HE21 GLN 15 10.468 5.757 0.353 105 2HE2 GLN 15 HE22 GLN 15 11.811 5.297 -0.633 106 H ASN 16 HN ASN 16 4.458 7.474 -0.348 107 HA ASN 16 HA ASN 16 3.379 4.986 -0.820 108 1HB ASN 16 HB2 ASN 16 2.335 6.620 0.629 109 2HB ASN 16 HB1 ASN 16 1.933 7.657 -0.731 110 1HD2 ASN 16 HD21 ASN 16 1.061 4.854 1.117 111 2HD2 ASN 16 HD22 ASN 16 -0.408 4.529 0.269 112 HA PRO 17 HA PRO 17 3.159 5.324 -5.344 113 1HB PRO 17 HB2 PRO 17 3.468 2.732 -5.834 114 2HB PRO 17 HB1 PRO 17 4.793 3.664 -5.127 115 1HG PRO 17 HG2 PRO 17 2.821 1.880 -3.703 116 2HG PRO 17 HG1 PRO 17 4.590 1.920 -3.599 117 1HD PRO 17 HD2 PRO 17 2.946 3.180 -1.837 118 2HD PRO 17 HD1 PRO 17 4.617 3.686 -2.180 119 H CYS 18 HN CYS 18 1.098 4.258 -3.009 120 HA CYS 18 HA CYS 18 -0.669 2.661 -4.496 121 1HB CYS 18 HB2 CYS 18 -0.831 3.801 -1.752 122 2HB CYS 18 HB1 CYS 18 -1.985 2.670 -2.424 123 H CYS 19 HN CYS 19 -2.636 3.040 -5.206 124 HA CYS 19 HA CYS 19 -3.358 5.706 -5.884 125 1HB CYS 19 HB2 CYS 19 -4.871 3.093 -5.821 126 2HB CYS 19 HB1 CYS 19 -5.695 4.605 -6.218 127 H ARG 20 HN ARG 20 -4.704 7.080 -4.957 128 HA ARG 20 HA ARG 20 -4.030 7.349 -2.224 129 1HB ARG 20 HB2 ARG 20 -6.078 8.924 -3.829 130 2HB ARG 20 HB1 ARG 20 -5.376 9.435 -2.287 131 1HG ARG 20 HG2 ARG 20 -4.038 9.171 -4.973 132 2HG ARG 20 HG1 ARG 20 -4.227 10.600 -3.956 133 1HD ARG 20 HD2 ARG 20 -2.697 9.687 -2.302 134 2HD ARG 20 HD1 ARG 20 -2.567 8.183 -3.222 135 HE ARG 20 HE ARG 20 -1.757 10.650 -4.557 136 1HH1 ARG 20 HH11 ARG 20 -0.790 7.647 -2.953 137 2HH1 ARG 20 HH12 ARG 20 0.819 7.781 -3.509 138 1HH2 ARG 20 HH21 ARG 20 0.375 10.750 -5.260 139 2HH2 ARG 20 HH22 ARG 20 1.505 9.519 -4.802 140 H GLY 21 HN GLY 21 -4.686 6.511 -0.586 141 1HA GLY 21 HA2 GLY 21 -6.674 6.354 0.898 142 2HA GLY 21 HA1 GLY 21 -7.496 5.503 -0.402 143 H LEU 22 HN LEU 22 -4.799 4.284 -1.101 144 HA LEU 22 HA LEU 22 -4.965 2.074 0.872 145 1HB LEU 22 HB2 LEU 22 -3.884 2.155 -1.966 146 2HB LEU 22 HB1 LEU 22 -3.799 0.777 -0.881 147 HG LEU 22 HG LEU 22 -6.290 0.747 -0.838 148 1HD1 LEU 22 HD11 LEU 22 -5.994 2.779 -3.015 149 2HD1 LEU 22 HD12 LEU 22 -6.896 2.942 -1.511 150 3HD1 LEU 22 HD13 LEU 22 -7.435 1.826 -2.727 151 1HD2 LEU 22 HD21 LEU 22 -5.119 0.414 -3.550 152 2HD2 LEU 22 HD22 LEU 22 -6.498 -0.427 -2.865 153 3HD2 LEU 22 HD23 LEU 22 -4.888 -0.749 -2.236 154 H GLN 23 HN GLN 23 -3.182 1.176 1.722 155 HA GLN 23 HA GLN 23 -0.638 2.670 1.479 156 1HB GLN 23 HB2 GLN 23 -1.645 3.666 3.411 157 2HB GLN 23 HB1 GLN 23 -2.171 2.112 4.036 158 1HG GLN 23 HG2 GLN 23 -0.266 3.054 5.247 159 2HG GLN 23 HG1 GLN 23 0.106 1.477 4.580 160 1HE2 GLN 23 HE21 GLN 23 2.322 1.761 4.504 161 2HE2 GLN 23 HE22 GLN 23 3.075 2.930 3.479 162 H CYS 24 HN CYS 24 1.077 1.534 1.550 163 HA CYS 24 HA CYS 24 1.053 -1.260 1.275 164 1HB CYS 24 HB2 CYS 24 3.374 0.535 1.883 165 2HB CYS 24 HB1 CYS 24 3.461 -1.131 1.289 166 H ARG 25 HN ARG 25 0.400 -2.517 2.787 167 HA ARG 25 HA ARG 25 1.470 -2.299 5.516 168 1HB ARG 25 HB2 ARG 25 -0.837 -2.989 5.248 169 2HB ARG 25 HB1 ARG 25 -0.384 -4.302 4.154 170 1HG ARG 25 HG2 ARG 25 0.816 -5.418 6.027 171 2HG ARG 25 HG1 ARG 25 0.354 -4.085 7.099 172 1HD ARG 25 HD2 ARG 25 -1.966 -4.651 6.823 173 2HD ARG 25 HD1 ARG 25 -1.557 -5.888 5.622 174 HE ARG 25 HE ARG 25 -0.150 -6.770 7.705 175 1HH1 ARG 25 HH11 ARG 25 -3.521 -5.740 7.467 176 2HH1 ARG 25 HH12 ARG 25 -4.013 -6.763 8.754 177 1HH2 ARG 25 HH21 ARG 25 -0.851 -8.096 9.387 178 2HH2 ARG 25 HH22 ARG 25 -2.521 -8.107 9.847 179 H TYR 26 HN TYR 26 2.581 -4.049 6.420 180 HA TYR 26 HA TYR 26 4.946 -4.711 5.197 181 1HB TYR 26 HB2 TYR 26 3.508 -6.201 7.417 182 2HB TYR 26 HB1 TYR 26 5.202 -6.459 6.981 183 HD1 TYR 26 HD1 TYR 26 6.912 -4.908 7.657 184 HD2 TYR 26 HD2 TYR 26 2.791 -4.049 8.442 185 HE1 TYR 26 HE1 TYR 26 7.565 -3.105 9.177 186 HE2 TYR 26 HE2 TYR 26 3.460 -2.247 9.949 187 HH TYR 26 HH TYR 26 6.260 -0.805 10.004 188 H GLY 27 HN GLY 27 4.473 -5.329 3.129 189 1HA GLY 27 HA2 GLY 27 4.918 -7.642 2.147 190 2HA GLY 27 HA1 GLY 27 3.298 -8.034 2.711 191 H LYS 28 HN LYS 28 1.893 -5.786 2.170 192 HA LYS 28 HA LYS 28 2.273 -4.920 -0.555 193 1HB LYS 28 HB2 LYS 28 0.271 -5.923 -1.506 194 2HB LYS 28 HB1 LYS 28 1.374 -7.172 -0.992 195 1HG LYS 28 HG2 LYS 28 -0.899 -6.276 0.804 196 2HG LYS 28 HG1 LYS 28 -1.154 -7.343 -0.576 197 1HD LYS 28 HD2 LYS 28 0.618 -8.871 0.341 198 2HD LYS 28 HD1 LYS 28 0.670 -7.839 1.784 199 1HE LYS 28 HE2 LYS 28 -1.568 -8.375 2.348 200 2HE LYS 28 HE1 LYS 28 -1.867 -9.143 0.779 201 1HZ LYS 28 HZ1 LYS 28 0.005 -10.135 2.875 202 2HZ LYS 28 HZ2 LYS 28 -0.273 -10.870 1.363 203 3HZ LYS 28 HZ3 LYS 28 -1.520 -10.755 2.495 204 H CYS 29 HN CYS 29 0.579 -3.653 -1.348 205 HA CYS 29 HA CYS 29 -0.292 -1.779 0.618 206 1HB CYS 29 HB2 CYS 29 0.602 -1.138 -1.595 207 2HB CYS 29 HB1 CYS 29 -0.812 -1.830 -2.353 208 H LEU 30 HN LEU 30 -2.148 -1.555 1.501 209 HA LEU 30 HA LEU 30 -4.448 -3.129 0.463 210 1HB LEU 30 HB2 LEU 30 -3.567 -2.769 3.353 211 2HB LEU 30 HB1 LEU 30 -5.085 -3.516 2.847 212 HG LEU 30 HG LEU 30 -2.305 -4.592 2.284 213 1HD1 LEU 30 HD11 LEU 30 -3.147 -4.711 4.657 214 2HD1 LEU 30 HD12 LEU 30 -2.765 -6.244 3.883 215 3HD1 LEU 30 HD13 LEU 30 -4.446 -5.750 4.066 216 1HD2 LEU 30 HD21 LEU 30 -3.742 -5.238 0.474 217 2HD2 LEU 30 HD22 LEU 30 -5.054 -5.658 1.576 218 3HD2 LEU 30 HD23 LEU 30 -3.573 -6.608 1.547 219 H VAL 31 HN VAL 31 -6.428 -2.403 0.990 220 HA VAL 31 HA VAL 31 -6.730 0.471 0.859 221 HB VAL 31 HB VAL 31 -8.890 -1.616 1.296 222 1HG1 VAL 31 HG11 VAL 31 -8.954 1.268 0.357 223 2HG1 VAL 31 HG12 VAL 31 -9.743 0.567 1.780 224 3HG1 VAL 31 HG13 VAL 31 -10.290 0.137 0.173 225 1HG2 VAL 31 HG21 VAL 31 -9.212 -1.745 -1.023 226 2HG2 VAL 31 HG22 VAL 31 -7.502 -2.053 -0.775 227 3HG2 VAL 31 HG23 VAL 31 -8.051 -0.482 -1.366 228 H GLN 32 HN GLN 32 -6.305 1.619 2.518 229 HA GLN 32 HA GLN 32 -6.318 0.602 5.191 230 1HB GLN 32 HB2 GLN 32 -4.817 2.392 4.363 231 2HB GLN 32 HB1 GLN 32 -6.199 3.480 4.240 232 1HG GLN 32 HG2 GLN 32 -6.528 3.138 6.759 233 2HG GLN 32 HG1 GLN 32 -5.008 2.239 6.741 234 1HE2 GLN 32 HE21 GLN 32 -5.629 5.125 4.751 235 2HE2 GLN 32 HE22 GLN 32 -4.511 6.084 5.616 236 H VAL 33 HN VAL 33 -7.884 0.447 6.519 237 HA VAL 33 HA VAL 33 -10.535 1.510 5.906 238 HB VAL 33 HB VAL 33 -10.364 -0.753 6.787 239 1HG1 VAL 33 HG11 VAL 33 -9.600 -1.310 8.931 240 2HG1 VAL 33 HG12 VAL 33 -9.407 0.355 9.428 241 3HG1 VAL 33 HG13 VAL 33 -8.317 -0.345 8.231 242 1HG2 VAL 33 HG21 VAL 33 -12.114 -0.650 8.353 243 2HG2 VAL 33 HG22 VAL 33 -12.366 0.724 7.286 244 3HG2 VAL 33 HG23 VAL 33 -11.683 0.961 8.903 245 1HG HSL 34 HG1 HSL 34 -9.547 7.953 5.954 246 2HG HSL 34 HG2 HSL 34 -8.895 7.945 7.606 247 H HSL 34 HN HSL 34 -9.710 3.646 5.912 248 HA HSL 34 HA HSL 34 -9.258 4.771 8.281 249 1HB HSL 34 HB1 HSL 34 -8.845 5.863 5.568 250 2HB HSL 34 HB2 HSL 34 -7.862 6.042 7.026 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 0.137 3.256 -13.224 2 2H ALA 1 HT2 ALA 1 -1.363 3.561 -12.474 3 3H ALA 1 HT3 ALA 1 -1.296 2.655 -13.894 4 HA ALA 1 HA ALA 1 -1.669 1.204 -12.046 5 1HB ALA 1 HB1 ALA 1 1.110 0.900 -13.214 6 2HB ALA 1 HB2 ALA 1 -0.402 0.383 -13.950 7 3HB ALA 1 HB3 ALA 1 0.144 -0.386 -12.464 8 H CYS 2 HN CYS 2 -1.835 2.301 -10.199 9 HA CYS 2 HA CYS 2 0.521 3.079 -8.626 10 1HB CYS 2 HB2 CYS 2 -1.103 3.938 -7.041 11 2HB CYS 2 HB1 CYS 2 -1.596 4.411 -8.663 12 H GLY 3 HN GLY 3 0.467 2.382 -6.314 13 1HA GLY 3 HA2 GLY 3 0.423 -0.358 -5.883 14 2HA GLY 3 HA1 GLY 3 0.376 0.844 -4.642 15 H ILE 4 HN ILE 4 -1.152 -1.721 -5.581 16 HA ILE 4 HA ILE 4 -3.918 -0.727 -5.113 17 HB ILE 4 HB ILE 4 -4.689 -2.672 -6.488 18 1HG1 ILE 4 HG12 ILE 4 -1.772 -2.837 -7.316 19 2HG1 ILE 4 HG11 ILE 4 -2.598 -4.028 -6.291 20 1HG2 ILE 4 HG21 ILE 4 -2.937 -0.701 -7.979 21 2HG2 ILE 4 HG22 ILE 4 -4.570 -0.388 -7.380 22 3HG2 ILE 4 HG23 ILE 4 -4.314 -1.613 -8.608 23 1HD1 ILE 4 HD11 ILE 4 -3.189 -3.407 -9.161 24 2HD1 ILE 4 HD12 ILE 4 -4.127 -4.512 -8.142 25 3HD1 ILE 4 HD13 ILE 4 -2.433 -4.846 -8.488 26 H LEU 5 HN LEU 5 -5.361 -2.527 -4.487 27 HA LEU 5 HA LEU 5 -4.581 -2.965 -1.792 28 1HB LEU 5 HB2 LEU 5 -6.821 -3.771 -1.450 29 2HB LEU 5 HB1 LEU 5 -6.805 -2.347 -2.465 30 HG LEU 5 HG LEU 5 -6.807 -4.262 -4.400 31 1HD1 LEU 5 HD11 LEU 5 -6.985 -6.156 -2.895 32 2HD1 LEU 5 HD12 LEU 5 -8.499 -5.932 -3.738 33 3HD1 LEU 5 HD13 LEU 5 -8.355 -5.413 -2.064 34 1HD2 LEU 5 HD21 LEU 5 -9.259 -3.142 -3.048 35 2HD2 LEU 5 HD22 LEU 5 -9.143 -3.800 -4.678 36 3HD2 LEU 5 HD23 LEU 5 -8.284 -2.318 -4.278 37 H HIS 6 HN HIS 6 -3.846 -4.772 -4.444 38 HA HIS 6 HA HIS 6 -2.979 -6.963 -2.714 39 1HB HIS 6 HB2 HIS 6 -3.771 -8.639 -4.421 40 2HB HIS 6 HB1 HIS 6 -5.050 -7.826 -3.538 41 HD1 HIS 6 HD1 HIS 6 -3.776 -8.383 -6.970 42 HD2 HIS 6 HD2 HIS 6 -6.605 -6.070 -5.076 43 HE1 HIS 6 HE1 HIS 6 -5.255 -7.479 -8.786 44 HE2 HIS 6 HE2 HIS 6 -6.863 -5.934 -7.618 45 H ASP 7 HN ASP 7 -1.538 -4.895 -3.550 46 HA ASP 7 HA ASP 7 0.311 -6.286 -5.437 47 1HB ASP 7 HB2 ASP 7 -0.710 -4.100 -6.213 48 2HB ASP 7 HB1 ASP 7 0.249 -3.258 -5.039 49 H ASN 8 HN ASN 8 2.180 -6.763 -4.697 50 HA ASN 8 HA ASN 8 2.717 -6.425 -1.896 51 1HB ASN 8 HB2 ASN 8 4.384 -7.675 -4.070 52 2HB ASN 8 HB1 ASN 8 4.784 -7.717 -2.346 53 1HD2 ASN 8 HD21 ASN 8 4.667 -9.885 -2.051 54 2HD2 ASN 8 HD22 ASN 8 3.201 -10.776 -2.242 55 H CYS 9 HN CYS 9 4.096 -5.168 -0.897 56 HA CYS 9 HA CYS 9 6.103 -3.605 -2.166 57 1HB CYS 9 HB2 CYS 9 5.070 -1.379 -1.875 58 2HB CYS 9 HB1 CYS 9 4.175 -2.351 -3.024 59 H VAL 10 HN VAL 10 6.848 -1.849 -0.676 60 HA VAL 10 HA VAL 10 7.026 -3.047 2.034 61 HB VAL 10 HB VAL 10 9.053 -1.699 2.318 62 1HG1 VAL 10 HG11 VAL 10 9.242 -3.953 1.382 63 2HG1 VAL 10 HG12 VAL 10 10.475 -2.862 0.761 64 3HG1 VAL 10 HG13 VAL 10 9.098 -3.286 -0.254 65 1HG2 VAL 10 HG21 VAL 10 8.610 0.256 0.989 66 2HG2 VAL 10 HG22 VAL 10 8.464 -0.701 -0.489 67 3HG2 VAL 10 HG23 VAL 10 10.011 -0.552 0.321 68 H TYR 11 HN TYR 11 7.056 -1.789 3.827 69 HA TYR 11 HA TYR 11 4.858 0.089 3.883 70 1HB TYR 11 HB2 TYR 11 5.106 -1.559 5.638 71 2HB TYR 11 HB1 TYR 11 6.699 -0.948 6.063 72 HD1 TYR 11 HD1 TYR 11 6.913 0.861 7.610 73 HD2 TYR 11 HD2 TYR 11 3.073 -0.069 5.999 74 HE1 TYR 11 HE1 TYR 11 5.858 2.390 9.201 75 HE2 TYR 11 HE2 TYR 11 2.030 1.467 7.572 76 HH TYR 11 HH TYR 11 2.834 2.373 10.067 77 H VAL 12 HN VAL 12 5.644 1.712 2.595 78 HA VAL 12 HA VAL 12 7.039 3.751 4.199 79 HB VAL 12 HB VAL 12 8.829 2.759 2.851 80 1HG1 VAL 12 HG11 VAL 12 7.287 2.017 0.949 81 2HG1 VAL 12 HG12 VAL 12 8.866 2.662 0.530 82 3HG1 VAL 12 HG13 VAL 12 7.445 3.668 0.333 83 1HG2 VAL 12 HG21 VAL 12 8.165 5.478 1.705 84 2HG2 VAL 12 HG22 VAL 12 9.734 4.753 2.004 85 3HG2 VAL 12 HG23 VAL 12 8.735 5.239 3.365 86 HA PRO 13 HA PRO 13 3.073 4.906 2.068 87 1HB PRO 13 HB2 PRO 13 2.468 6.086 4.719 88 2HB PRO 13 HB1 PRO 13 1.546 4.955 3.724 89 1HG PRO 13 HG2 PRO 13 2.773 4.204 5.984 90 2HG PRO 13 HG1 PRO 13 2.615 3.108 4.597 91 1HD PRO 13 HD2 PRO 13 4.988 4.730 5.492 92 2HD PRO 13 HD1 PRO 13 4.864 3.061 4.930 93 H ALA 14 HN ALA 14 5.452 6.567 3.946 94 HA ALA 14 HA ALA 14 4.712 9.208 3.695 95 1HB ALA 14 HB1 ALA 14 7.072 9.737 4.035 96 2HB ALA 14 HB2 ALA 14 7.519 8.065 3.641 97 3HB ALA 14 HB3 ALA 14 6.551 8.412 5.070 98 H GLN 15 HN GLN 15 6.193 7.037 1.416 99 HA GLN 15 HA GLN 15 5.680 9.034 -0.737 100 1HB GLN 15 HB2 GLN 15 8.115 8.655 -0.234 101 2HB GLN 15 HB1 GLN 15 7.912 6.949 -0.643 102 1HG GLN 15 HG2 GLN 15 7.164 7.705 -2.959 103 2HG GLN 15 HG1 GLN 15 7.564 9.349 -2.465 104 1HE2 GLN 15 HE21 GLN 15 8.816 6.179 -3.250 105 2HE2 GLN 15 HE22 GLN 15 10.445 6.709 -3.471 106 H ASN 16 HN ASN 16 3.715 7.680 0.014 107 HA ASN 16 HA ASN 16 3.458 4.972 -0.558 108 1HB ASN 16 HB2 ASN 16 1.919 6.266 0.832 109 2HB ASN 16 HB1 ASN 16 1.299 7.102 -0.554 110 1HD2 ASN 16 HD21 ASN 16 -0.778 6.382 -0.132 111 2HD2 ASN 16 HD22 ASN 16 -1.224 4.740 -0.369 112 HA PRO 17 HA PRO 17 3.380 5.251 -5.064 113 1HB PRO 17 HB2 PRO 17 3.693 2.620 -5.492 114 2HB PRO 17 HB1 PRO 17 5.000 3.607 -4.829 115 1HG PRO 17 HG2 PRO 17 3.059 1.855 -3.331 116 2HG PRO 17 HG1 PRO 17 4.831 1.917 -3.232 117 1HD PRO 17 HD2 PRO 17 3.238 3.181 -1.491 118 2HD PRO 17 HD1 PRO 17 4.845 3.813 -1.937 119 H CYS 18 HN CYS 18 1.266 3.839 -2.838 120 HA CYS 18 HA CYS 18 -0.568 2.656 -4.617 121 1HB CYS 18 HB2 CYS 18 -0.881 3.373 -1.735 122 2HB CYS 18 HB1 CYS 18 -1.941 2.370 -2.660 123 H CYS 19 HN CYS 19 -2.690 3.174 -4.921 124 HA CYS 19 HA CYS 19 -3.174 5.949 -5.484 125 1HB CYS 19 HB2 CYS 19 -4.914 3.484 -5.436 126 2HB CYS 19 HB1 CYS 19 -5.638 5.079 -5.662 127 H ARG 20 HN ARG 20 -4.421 7.368 -4.485 128 HA ARG 20 HA ARG 20 -4.013 7.512 -1.683 129 1HB ARG 20 HB2 ARG 20 -5.797 9.152 -3.511 130 2HB ARG 20 HB1 ARG 20 -5.433 9.571 -1.820 131 1HG ARG 20 HG2 ARG 20 -3.094 9.816 -2.318 132 2HG ARG 20 HG1 ARG 20 -3.325 9.226 -3.970 133 1HD ARG 20 HD2 ARG 20 -4.820 11.166 -4.375 134 2HD ARG 20 HD1 ARG 20 -4.373 11.793 -2.779 135 HE ARG 20 HE ARG 20 -1.956 11.537 -3.765 136 1HH1 ARG 20 HH11 ARG 20 -4.832 12.799 -5.360 137 2HH1 ARG 20 HH12 ARG 20 -3.919 13.761 -6.446 138 1HH2 ARG 20 HH21 ARG 20 -0.790 12.822 -5.216 139 2HH2 ARG 20 HH22 ARG 20 -1.630 13.797 -6.376 140 H GLY 21 HN GLY 21 -4.913 6.469 -0.228 141 1HA GLY 21 HA2 GLY 21 -7.108 6.091 0.909 142 2HA GLY 21 HA1 GLY 21 -7.665 5.363 -0.594 143 H LEU 22 HN LEU 22 -4.896 4.304 -1.057 144 HA LEU 22 HA LEU 22 -5.099 1.942 0.723 145 1HB LEU 22 HB2 LEU 22 -3.736 2.220 -1.970 146 2HB LEU 22 HB1 LEU 22 -3.861 0.761 -1.000 147 HG LEU 22 HG LEU 22 -6.373 1.014 -1.307 148 1HD1 LEU 22 HD11 LEU 22 -5.480 2.936 -3.380 149 2HD1 LEU 22 HD12 LEU 22 -6.638 3.202 -2.081 150 3HD1 LEU 22 HD13 LEU 22 -7.036 2.126 -3.389 151 1HD2 LEU 22 HD21 LEU 22 -6.352 -0.221 -3.312 152 2HD2 LEU 22 HD22 LEU 22 -4.901 -0.666 -2.424 153 3HD2 LEU 22 HD23 LEU 22 -4.799 0.465 -3.776 154 H GLN 23 HN GLN 23 -3.283 1.019 1.545 155 HA GLN 23 HA GLN 23 -0.913 2.797 1.794 156 1HB GLN 23 HB2 GLN 23 -2.332 1.375 4.076 157 2HB GLN 23 HB1 GLN 23 -0.847 2.344 4.197 158 1HG GLN 23 HG2 GLN 23 -2.067 4.355 3.622 159 2HG GLN 23 HG1 GLN 23 -3.551 3.429 3.366 160 1HE2 GLN 23 HE21 GLN 23 -3.045 5.631 5.222 161 2HE2 GLN 23 HE22 GLN 23 -3.400 4.975 6.780 162 H CYS 24 HN CYS 24 0.875 1.850 1.475 163 HA CYS 24 HA CYS 24 1.153 -0.972 1.126 164 1HB CYS 24 HB2 CYS 24 3.023 1.330 1.157 165 2HB CYS 24 HB1 CYS 24 3.681 -0.289 1.334 166 H ARG 25 HN ARG 25 0.730 -2.230 2.687 167 HA ARG 25 HA ARG 25 1.923 -1.725 5.340 168 1HB ARG 25 HB2 ARG 25 -0.575 -2.279 4.979 169 2HB ARG 25 HB1 ARG 25 -0.067 -3.897 4.559 170 1HG ARG 25 HG2 ARG 25 -0.766 -3.818 6.850 171 2HG ARG 25 HG1 ARG 25 0.949 -4.179 6.798 172 1HD ARG 25 HD2 ARG 25 0.385 -2.586 8.544 173 2HD ARG 25 HD1 ARG 25 1.468 -1.837 7.376 174 HE ARG 25 HE ARG 25 -1.237 -1.263 6.664 175 1HH1 ARG 25 HH11 ARG 25 1.031 -0.504 9.243 176 2HH1 ARG 25 HH12 ARG 25 0.337 1.046 9.514 177 1HH2 ARG 25 HH21 ARG 25 -2.101 0.772 7.034 178 2HH2 ARG 25 HH22 ARG 25 -1.436 1.781 8.275 179 H TYR 26 HN TYR 26 2.857 -3.551 6.433 180 HA TYR 26 HA TYR 26 5.066 -4.541 5.197 181 1HB TYR 26 HB2 TYR 26 3.521 -5.668 7.540 182 2HB TYR 26 HB1 TYR 26 5.089 -6.314 7.045 183 HD1 TYR 26 HD1 TYR 26 3.347 -3.523 8.657 184 HD2 TYR 26 HD2 TYR 26 7.129 -4.971 7.273 185 HE1 TYR 26 HE1 TYR 26 4.495 -1.827 9.996 186 HE2 TYR 26 HE2 TYR 26 8.265 -3.272 8.618 187 HH TYR 26 HH TYR 26 7.048 -1.733 11.076 188 H GLY 27 HN GLY 27 4.851 -5.355 3.264 189 1HA GLY 27 HA2 GLY 27 5.019 -7.605 2.312 190 2HA GLY 27 HA1 GLY 27 3.443 -7.979 2.986 191 H LYS 28 HN LYS 28 2.056 -5.657 2.406 192 HA LYS 28 HA LYS 28 2.188 -5.164 -0.442 193 1HB LYS 28 HB2 LYS 28 0.081 -6.257 -1.031 194 2HB LYS 28 HB1 LYS 28 1.274 -7.425 -0.473 195 1HG LYS 28 HG2 LYS 28 0.216 -7.627 1.672 196 2HG LYS 28 HG1 LYS 28 -0.934 -6.325 1.300 197 1HD LYS 28 HD2 LYS 28 -1.907 -7.663 -0.504 198 2HD LYS 28 HD1 LYS 28 -0.747 -8.966 -0.185 199 1HE LYS 28 HE2 LYS 28 -1.685 -9.332 2.000 200 2HE LYS 28 HE1 LYS 28 -2.751 -7.956 1.830 201 1HZ LYS 28 HZ1 LYS 28 -3.903 -9.993 1.429 202 2HZ LYS 28 HZ2 LYS 28 -2.841 -10.427 0.191 203 3HZ LYS 28 HZ3 LYS 28 -3.876 -9.089 0.002 204 H CYS 29 HN CYS 29 0.522 -3.965 -1.250 205 HA CYS 29 HA CYS 29 -0.252 -1.845 0.517 206 1HB CYS 29 HB2 CYS 29 0.514 -1.477 -1.801 207 2HB CYS 29 HB1 CYS 29 -0.886 -2.276 -2.394 208 H LEU 30 HN LEU 30 -1.983 -1.724 1.600 209 HA LEU 30 HA LEU 30 -4.368 -3.288 0.757 210 1HB LEU 30 HB2 LEU 30 -3.384 -2.649 3.558 211 2HB LEU 30 HB1 LEU 30 -4.906 -3.459 3.172 212 HG LEU 30 HG LEU 30 -2.136 -4.551 2.595 213 1HD1 LEU 30 HD11 LEU 30 -2.662 -4.499 4.995 214 2HD1 LEU 30 HD12 LEU 30 -2.620 -6.135 4.351 215 3HD1 LEU 30 HD13 LEU 30 -4.174 -5.371 4.680 216 1HD2 LEU 30 HD21 LEU 30 -3.918 -6.618 2.457 217 2HD2 LEU 30 HD22 LEU 30 -3.236 -5.768 1.081 218 3HD2 LEU 30 HD23 LEU 30 -4.836 -5.340 1.683 219 H VAL 31 HN VAL 31 -6.062 -2.244 0.405 220 HA VAL 31 HA VAL 31 -6.313 0.582 0.854 221 HB VAL 31 HB VAL 31 -7.415 -0.503 -1.065 222 1HG1 VAL 31 HG11 VAL 31 -9.483 -1.673 0.670 223 2HG1 VAL 31 HG12 VAL 31 -8.021 -2.601 0.356 224 3HG1 VAL 31 HG13 VAL 31 -9.031 -2.059 -0.975 225 1HG2 VAL 31 HG21 VAL 31 -9.442 0.691 -0.979 226 2HG2 VAL 31 HG22 VAL 31 -8.307 1.641 -0.030 227 3HG2 VAL 31 HG23 VAL 31 -9.523 0.634 0.775 228 H GLN 32 HN GLN 32 -7.599 1.637 2.256 229 HA GLN 32 HA GLN 32 -7.664 0.457 4.856 230 1HB GLN 32 HB2 GLN 32 -7.276 2.898 4.371 231 2HB GLN 32 HB1 GLN 32 -8.968 3.061 3.932 232 1HG GLN 32 HG2 GLN 32 -8.575 3.816 6.189 233 2HG GLN 32 HG1 GLN 32 -9.650 2.428 6.211 234 1HE2 GLN 32 HE21 GLN 32 -6.510 3.669 7.047 235 2HE2 GLN 32 HE22 GLN 32 -6.027 2.305 7.991 236 H VAL 33 HN VAL 33 -8.872 -1.325 4.502 237 HA VAL 33 HA VAL 33 -11.730 -1.118 3.873 238 HB VAL 33 HB VAL 33 -11.767 -3.572 4.215 239 1HG1 VAL 33 HG11 VAL 33 -11.204 -2.546 1.999 240 2HG1 VAL 33 HG12 VAL 33 -10.593 -4.173 2.272 241 3HG1 VAL 33 HG13 VAL 33 -9.500 -2.808 2.396 242 1HG2 VAL 33 HG21 VAL 33 -10.038 -3.850 5.922 243 2HG2 VAL 33 HG22 VAL 33 -8.800 -3.266 4.804 244 3HG2 VAL 33 HG23 VAL 33 -9.635 -4.775 4.490 245 1HG HSL 34 HG1 HSL 34 -16.635 -1.037 7.978 246 2HG HSL 34 HG2 HSL 34 -15.544 -1.091 9.378 247 H HSL 34 HN HSL 34 -13.298 -1.893 5.203 248 HA HSL 34 HA HSL 34 -12.783 -1.913 7.841 249 1HB HSL 34 HB1 HSL 34 -14.054 -0.050 8.066 250 2HB HSL 34 HB2 HSL 34 -14.990 -0.388 6.605 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 -0.221 3.056 -13.434 2 2H ALA 1 HT2 ALA 1 -1.710 3.327 -12.652 3 3H ALA 1 HT3 ALA 1 -1.639 2.336 -14.014 4 HA ALA 1 HA ALA 1 -1.871 0.990 -12.068 5 1HB ALA 1 HB1 ALA 1 0.880 0.761 -13.315 6 2HB ALA 1 HB2 ALA 1 -0.626 0.122 -13.965 7 3HB ALA 1 HB3 ALA 1 0.010 -0.525 -12.457 8 H CYS 2 HN CYS 2 -2.044 2.072 -10.228 9 HA CYS 2 HA CYS 2 0.362 3.023 -8.798 10 1HB CYS 2 HB2 CYS 2 -1.186 3.960 -7.201 11 2HB CYS 2 HB1 CYS 2 -1.765 4.334 -8.817 12 H GLY 3 HN GLY 3 0.044 2.509 -6.323 13 1HA GLY 3 HA2 GLY 3 0.296 -0.270 -5.884 14 2HA GLY 3 HA1 GLY 3 0.188 0.951 -4.658 15 H ILE 4 HN ILE 4 -1.233 -1.672 -5.719 16 HA ILE 4 HA ILE 4 -4.041 -0.805 -5.200 17 HB ILE 4 HB ILE 4 -4.686 -2.797 -6.633 18 1HG1 ILE 4 HG12 ILE 4 -1.735 -2.682 -7.381 19 2HG1 ILE 4 HG11 ILE 4 -2.558 -4.035 -6.599 20 1HG2 ILE 4 HG21 ILE 4 -3.155 -0.608 -8.071 21 2HG2 ILE 4 HG22 ILE 4 -4.785 -0.453 -7.400 22 3HG2 ILE 4 HG23 ILE 4 -4.486 -1.595 -8.695 23 1HD1 ILE 4 HD11 ILE 4 -3.996 -4.138 -8.700 24 2HD1 ILE 4 HD12 ILE 4 -2.308 -4.625 -8.814 25 3HD1 ILE 4 HD13 ILE 4 -2.803 -3.043 -9.406 26 H LEU 5 HN LEU 5 -5.408 -2.626 -4.587 27 HA LEU 5 HA LEU 5 -4.616 -3.247 -1.940 28 1HB LEU 5 HB2 LEU 5 -6.810 -4.183 -1.673 29 2HB LEU 5 HB1 LEU 5 -6.878 -2.720 -2.626 30 HG LEU 5 HG LEU 5 -6.776 -4.517 -4.662 31 1HD1 LEU 5 HD11 LEU 5 -8.032 -5.971 -2.326 32 2HD1 LEU 5 HD12 LEU 5 -6.777 -6.537 -3.427 33 3HD1 LEU 5 HD13 LEU 5 -8.406 -6.326 -4.006 34 1HD2 LEU 5 HD21 LEU 5 -9.292 -3.724 -3.183 35 2HD2 LEU 5 HD22 LEU 5 -9.156 -4.254 -4.858 36 3HD2 LEU 5 HD23 LEU 5 -8.432 -2.727 -4.370 37 H HIS 6 HN HIS 6 -3.425 -4.725 -4.497 38 HA HIS 6 HA HIS 6 -2.720 -7.080 -2.983 39 1HB HIS 6 HB2 HIS 6 -3.328 -8.603 -4.915 40 2HB HIS 6 HB1 HIS 6 -4.678 -7.947 -4.007 41 HD1 HIS 6 HD1 HIS 6 -2.878 -7.351 -7.310 42 HD2 HIS 6 HD2 HIS 6 -6.572 -6.748 -5.520 43 HE1 HIS 6 HE1 HIS 6 -4.391 -6.505 -9.123 44 HE2 HIS 6 HE2 HIS 6 -6.627 -6.194 -8.026 45 H ASP 7 HN ASP 7 -1.342 -4.827 -3.657 46 HA ASP 7 HA ASP 7 0.671 -5.975 -5.547 47 1HB ASP 7 HB2 ASP 7 -0.201 -3.811 -6.282 48 2HB ASP 7 HB1 ASP 7 0.243 -3.049 -4.766 49 H ASN 8 HN ASN 8 2.285 -6.826 -4.611 50 HA ASN 8 HA ASN 8 2.879 -6.438 -1.837 51 1HB ASN 8 HB2 ASN 8 4.154 -7.991 -4.051 52 2HB ASN 8 HB1 ASN 8 5.043 -7.771 -2.542 53 1HD2 ASN 8 HD21 ASN 8 4.196 -8.656 -0.608 54 2HD2 ASN 8 HD22 ASN 8 3.056 -9.951 -0.689 55 H CYS 9 HN CYS 9 4.043 -5.004 -0.932 56 HA CYS 9 HA CYS 9 6.146 -3.546 -2.320 57 1HB CYS 9 HB2 CYS 9 5.083 -1.349 -1.921 58 2HB CYS 9 HB1 CYS 9 4.125 -2.352 -2.996 59 H VAL 10 HN VAL 10 7.288 -2.156 -1.007 60 HA VAL 10 HA VAL 10 7.488 -3.082 1.765 61 HB VAL 10 HB VAL 10 9.548 -2.781 0.485 62 1HG1 VAL 10 HG11 VAL 10 10.361 -0.709 -0.261 63 2HG1 VAL 10 HG12 VAL 10 9.075 0.198 0.503 64 3HG1 VAL 10 HG13 VAL 10 8.732 -0.812 -0.902 65 1HG2 VAL 10 HG21 VAL 10 9.486 -2.481 2.978 66 2HG2 VAL 10 HG22 VAL 10 9.426 -0.733 2.712 67 3HG2 VAL 10 HG23 VAL 10 10.803 -1.663 2.153 68 H TYR 11 HN TYR 11 6.881 -2.041 3.422 69 HA TYR 11 HA TYR 11 4.849 -0.034 3.177 70 1HB TYR 11 HB2 TYR 11 4.722 -0.220 5.683 71 2HB TYR 11 HB1 TYR 11 4.527 -1.713 4.797 72 HD1 TYR 11 HD1 TYR 11 6.361 -3.428 4.742 73 HD2 TYR 11 HD2 TYR 11 6.567 0.048 7.232 74 HE1 TYR 11 HE1 TYR 11 8.118 -4.477 6.068 75 HE2 TYR 11 HE2 TYR 11 8.325 -1.018 8.557 76 HH TYR 11 HH TYR 11 10.147 -3.409 7.630 77 H VAL 12 HN VAL 12 6.227 1.488 2.118 78 HA VAL 12 HA VAL 12 7.500 3.301 4.111 79 HB VAL 12 HB VAL 12 8.815 4.264 2.222 80 1HG1 VAL 12 HG11 VAL 12 9.831 2.743 3.842 81 2HG1 VAL 12 HG12 VAL 12 10.509 2.535 2.232 82 3HG1 VAL 12 HG13 VAL 12 9.356 1.358 2.849 83 1HG2 VAL 12 HG21 VAL 12 7.605 3.510 0.274 84 2HG2 VAL 12 HG22 VAL 12 7.792 1.833 0.740 85 3HG2 VAL 12 HG23 VAL 12 9.186 2.766 0.261 86 HA PRO 13 HA PRO 13 3.516 5.157 2.898 87 1HB PRO 13 HB2 PRO 13 4.294 6.774 5.298 88 2HB PRO 13 HB1 PRO 13 2.763 5.991 4.880 89 1HG PRO 13 HG2 PRO 13 4.390 4.974 6.715 90 2HG PRO 13 HG1 PRO 13 3.483 3.912 5.637 91 1HD PRO 13 HD2 PRO 13 6.375 4.682 5.575 92 2HD PRO 13 HD1 PRO 13 5.560 3.153 5.228 93 H ALA 14 HN ALA 14 6.539 6.679 3.838 94 HA ALA 14 HA ALA 14 6.155 9.258 2.894 95 1HB ALA 14 HB1 ALA 14 8.589 9.424 2.813 96 2HB ALA 14 HB2 ALA 14 8.729 7.656 2.892 97 3HB ALA 14 HB3 ALA 14 8.051 8.553 4.245 98 H GLN 15 HN GLN 15 6.791 6.314 1.206 99 HA GLN 15 HA GLN 15 6.579 7.729 -1.371 100 1HB GLN 15 HB2 GLN 15 8.913 6.931 -0.786 101 2HB GLN 15 HB1 GLN 15 8.307 5.292 -0.730 102 1HG GLN 15 HG2 GLN 15 9.428 5.748 -2.813 103 2HG GLN 15 HG1 GLN 15 7.743 5.389 -3.126 104 1HE2 GLN 15 HE21 GLN 15 6.387 7.048 -3.895 105 2HE2 GLN 15 HE22 GLN 15 7.048 8.534 -4.475 106 H ASN 16 HN ASN 16 4.457 6.846 0.040 107 HA ASN 16 HA ASN 16 3.642 4.204 -0.327 108 1HB ASN 16 HB2 ASN 16 2.530 5.841 1.155 109 2HB ASN 16 HB1 ASN 16 1.854 6.669 -0.234 110 1HD2 ASN 16 HD21 ASN 16 -0.294 6.271 0.246 111 2HD2 ASN 16 HD22 ASN 16 -0.960 4.680 0.270 112 HA PRO 17 HA PRO 17 3.400 4.480 -4.806 113 1HB PRO 17 HB2 PRO 17 3.165 1.834 -5.246 114 2HB PRO 17 HB1 PRO 17 4.664 2.553 -4.652 115 1HG PRO 17 HG2 PRO 17 2.511 1.175 -3.065 116 2HG PRO 17 HG1 PRO 17 4.268 0.929 -3.035 117 1HD PRO 17 HD2 PRO 17 2.980 2.448 -1.234 118 2HD PRO 17 HD1 PRO 17 4.655 2.779 -1.739 119 H CYS 18 HN CYS 18 1.089 3.602 -2.540 120 HA CYS 18 HA CYS 18 -0.840 2.434 -4.235 121 1HB CYS 18 HB2 CYS 18 -1.060 3.386 -1.405 122 2HB CYS 18 HB1 CYS 18 -2.177 2.338 -2.244 123 H CYS 19 HN CYS 19 -2.771 3.127 -4.840 124 HA CYS 19 HA CYS 19 -3.125 5.869 -5.454 125 1HB CYS 19 HB2 CYS 19 -4.941 3.477 -5.346 126 2HB CYS 19 HB1 CYS 19 -5.666 5.072 -5.546 127 H ARG 20 HN ARG 20 -4.486 7.366 -4.589 128 HA ARG 20 HA ARG 20 -3.873 7.729 -1.814 129 1HB ARG 20 HB2 ARG 20 -5.775 9.355 -3.539 130 2HB ARG 20 HB1 ARG 20 -5.021 9.854 -2.006 131 1HG ARG 20 HG2 ARG 20 -2.789 9.657 -3.117 132 2HG ARG 20 HG1 ARG 20 -3.625 9.315 -4.640 133 1HD ARG 20 HD2 ARG 20 -3.059 11.596 -4.631 134 2HD ARG 20 HD1 ARG 20 -4.809 11.499 -4.395 135 HE ARG 20 HE ARG 20 -3.181 11.676 -1.960 136 1HH1 ARG 20 HH11 ARG 20 -4.969 13.498 -4.402 137 2HH1 ARG 20 HH12 ARG 20 -5.174 14.851 -3.367 138 1HH2 ARG 20 HH21 ARG 20 -3.463 13.487 -0.649 139 2HH2 ARG 20 HH22 ARG 20 -4.324 14.866 -1.245 140 H GLY 21 HN GLY 21 -4.729 6.526 -0.410 141 1HA GLY 21 HA2 GLY 21 -6.936 6.502 0.891 142 2HA GLY 21 HA1 GLY 21 -7.603 5.750 -0.556 143 H LEU 22 HN LEU 22 -4.974 4.429 -1.058 144 HA LEU 22 HA LEU 22 -5.319 2.176 0.826 145 1HB LEU 22 HB2 LEU 22 -3.980 2.333 -1.875 146 2HB LEU 22 HB1 LEU 22 -3.981 0.909 -0.843 147 HG LEU 22 HG LEU 22 -6.525 0.976 -1.048 148 1HD1 LEU 22 HD11 LEU 22 -5.816 3.018 -3.137 149 2HD1 LEU 22 HD12 LEU 22 -6.980 3.142 -1.815 150 3HD1 LEU 22 HD13 LEU 22 -7.301 2.073 -3.156 151 1HD2 LEU 22 HD21 LEU 22 -6.506 -0.157 -3.162 152 2HD2 LEU 22 HD22 LEU 22 -5.107 -0.650 -2.216 153 3HD2 LEU 22 HD23 LEU 22 -4.918 0.501 -3.552 154 H GLN 23 HN GLN 23 -3.677 1.268 1.848 155 HA GLN 23 HA GLN 23 -1.177 2.878 2.025 156 1HB GLN 23 HB2 GLN 23 -2.417 3.197 4.072 157 2HB GLN 23 HB1 GLN 23 -2.743 1.474 4.200 158 1HG GLN 23 HG2 GLN 23 -1.068 2.148 5.772 159 2HG GLN 23 HG1 GLN 23 -0.394 0.988 4.648 160 1HE2 GLN 23 HE21 GLN 23 1.739 1.611 4.839 161 2HE2 GLN 23 HE22 GLN 23 2.292 3.159 4.324 162 H CYS 24 HN CYS 24 0.554 1.912 1.570 163 HA CYS 24 HA CYS 24 0.757 -0.863 0.994 164 1HB CYS 24 HB2 CYS 24 2.198 0.747 -0.080 165 2HB CYS 24 HB1 CYS 24 2.923 1.173 1.460 166 H ARG 25 HN ARG 25 0.314 -2.207 2.515 167 HA ARG 25 HA ARG 25 1.241 -1.815 5.255 168 1HB ARG 25 HB2 ARG 25 -0.524 -3.828 3.849 169 2HB ARG 25 HB1 ARG 25 0.038 -4.165 5.473 170 1HG ARG 25 HG2 ARG 25 -1.532 -1.694 4.655 171 2HG ARG 25 HG1 ARG 25 -2.217 -3.164 5.340 172 1HD ARG 25 HD2 ARG 25 -1.317 -2.840 7.394 173 2HD ARG 25 HD1 ARG 25 0.028 -1.855 6.829 174 HE ARG 25 HE ARG 25 -2.542 -0.583 6.482 175 1HH1 ARG 25 HH11 ARG 25 -0.027 -1.304 8.841 176 2HH1 ARG 25 HH12 ARG 25 -0.286 0.154 9.709 177 1HH2 ARG 25 HH21 ARG 25 -2.830 1.314 7.680 178 2HH2 ARG 25 HH22 ARG 25 -1.901 1.650 9.070 179 H TYR 26 HN TYR 26 1.937 -3.955 6.289 180 HA TYR 26 HA TYR 26 4.635 -4.165 5.518 181 1HB TYR 26 HB2 TYR 26 2.942 -5.670 7.495 182 2HB TYR 26 HB1 TYR 26 4.658 -6.037 7.273 183 HD1 TYR 26 HD1 TYR 26 2.681 -2.825 7.533 184 HD2 TYR 26 HD2 TYR 26 5.872 -5.216 9.086 185 HE1 TYR 26 HE1 TYR 26 3.229 -1.066 9.104 186 HE2 TYR 26 HE2 TYR 26 6.458 -3.404 10.616 187 HH TYR 26 HH TYR 26 6.003 -0.706 10.666 188 H GLY 27 HN GLY 27 4.634 -4.721 3.407 189 1HA GLY 27 HA2 GLY 27 5.541 -6.616 2.253 190 2HA GLY 27 HA1 GLY 27 4.283 -7.642 2.913 191 H LYS 28 HN LYS 28 2.328 -5.334 2.409 192 HA LYS 28 HA LYS 28 2.081 -5.294 -0.460 193 1HB LYS 28 HB2 LYS 28 0.049 -6.639 -0.580 194 2HB LYS 28 HB1 LYS 28 1.417 -7.567 0.027 195 1HG LYS 28 HG2 LYS 28 0.584 -7.308 2.351 196 2HG LYS 28 HG1 LYS 28 -0.783 -6.367 1.747 197 1HD LYS 28 HD2 LYS 28 -1.478 -8.609 2.163 198 2HD LYS 28 HD1 LYS 28 -1.569 -8.282 0.433 199 1HE LYS 28 HE2 LYS 28 0.549 -9.497 0.095 200 2HE LYS 28 HE1 LYS 28 0.682 -9.758 1.842 201 1HZ LYS 28 HZ1 LYS 28 -1.345 -11.078 1.736 202 2HZ LYS 28 HZ2 LYS 28 -0.154 -11.668 0.696 203 3HZ LYS 28 HZ3 LYS 28 -1.458 -10.808 0.058 204 H CYS 29 HN CYS 29 0.514 -4.091 -1.234 205 HA CYS 29 HA CYS 29 -0.389 -1.952 0.466 206 1HB CYS 29 HB2 CYS 29 0.466 -1.517 -1.783 207 2HB CYS 29 HB1 CYS 29 -0.819 -2.448 -2.474 208 H LEU 30 HN LEU 30 -2.208 -1.726 1.370 209 HA LEU 30 HA LEU 30 -4.563 -3.284 0.434 210 1HB LEU 30 HB2 LEU 30 -3.587 -2.954 3.298 211 2HB LEU 30 HB1 LEU 30 -5.142 -3.652 2.840 212 HG LEU 30 HG LEU 30 -2.432 -4.833 2.149 213 1HD1 LEU 30 HD11 LEU 30 -2.882 -4.953 4.544 214 2HD1 LEU 30 HD12 LEU 30 -2.991 -6.528 3.783 215 3HD1 LEU 30 HD13 LEU 30 -4.466 -5.671 4.223 216 1HD2 LEU 30 HD21 LEU 30 -3.774 -6.799 1.525 217 2HD2 LEU 30 HD22 LEU 30 -4.105 -5.438 0.475 218 3HD2 LEU 30 HD23 LEU 30 -5.253 -5.874 1.749 219 H VAL 31 HN VAL 31 -6.517 -2.466 1.049 220 HA VAL 31 HA VAL 31 -6.691 0.386 0.792 221 HB VAL 31 HB VAL 31 -8.884 -1.590 1.517 222 1HG1 VAL 31 HG11 VAL 31 -8.934 1.317 0.648 223 2HG1 VAL 31 HG12 VAL 31 -9.670 0.582 2.083 224 3HG1 VAL 31 HG13 VAL 31 -10.315 0.238 0.492 225 1HG2 VAL 31 HG21 VAL 31 -7.819 -2.135 -0.623 226 2HG2 VAL 31 HG22 VAL 31 -8.100 -0.486 -1.194 227 3HG2 VAL 31 HG23 VAL 31 -9.457 -1.543 -0.829 228 H GLN 32 HN GLN 32 -6.396 1.775 2.265 229 HA GLN 32 HA GLN 32 -6.340 0.962 5.075 230 1HB GLN 32 HB2 GLN 32 -4.455 2.177 4.146 231 2HB GLN 32 HB1 GLN 32 -5.435 3.532 3.706 232 1HG GLN 32 HG2 GLN 32 -4.242 4.036 5.711 233 2HG GLN 32 HG1 GLN 32 -5.943 3.922 6.114 234 1HE2 GLN 32 HE21 GLN 32 -5.575 3.482 8.287 235 2HE2 GLN 32 HE22 GLN 32 -4.882 1.987 8.806 236 H VAL 33 HN VAL 33 -7.610 1.734 6.575 237 HA VAL 33 HA VAL 33 -10.085 3.083 5.804 238 HB VAL 33 HB VAL 33 -9.136 2.418 8.621 239 1HG1 VAL 33 HG11 VAL 33 -11.594 2.346 9.027 240 2HG1 VAL 33 HG12 VAL 33 -11.858 2.997 7.414 241 3HG1 VAL 33 HG13 VAL 33 -10.995 3.947 8.633 242 1HG2 VAL 33 HG21 VAL 33 -10.402 0.358 8.440 243 2HG2 VAL 33 HG22 VAL 33 -9.080 0.368 7.283 244 3HG2 VAL 33 HG23 VAL 33 -10.739 0.668 6.739 245 1HG HSL 34 HG1 HSL 34 -5.918 7.893 3.600 246 2HG HSL 34 HG2 HSL 34 -5.867 8.609 5.224 247 H HSL 34 HN HSL 34 -8.682 4.763 4.916 248 HA HSL 34 HA HSL 34 -7.994 6.632 6.718 249 1HB HSL 34 HB1 HSL 34 -6.322 5.848 4.413 250 2HB HSL 34 HB2 HSL 34 -5.852 6.501 5.987 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 2.526 3.247 -12.802 2 2H ALA 1 HT2 ALA 1 1.488 4.584 -12.612 3 3H ALA 1 HT3 ALA 1 1.343 3.588 -13.964 4 HA ALA 1 HA ALA 1 -0.424 3.121 -12.453 5 1HB ALA 1 HB1 ALA 1 1.614 0.881 -12.569 6 2HB ALA 1 HB2 ALA 1 0.457 1.319 -13.821 7 3HB ALA 1 HB3 ALA 1 -0.128 0.694 -12.283 8 H CYS 2 HN CYS 2 -1.144 3.189 -10.506 9 HA CYS 2 HA CYS 2 0.710 3.470 -8.245 10 1HB CYS 2 HB2 CYS 2 -1.209 4.152 -6.985 11 2HB CYS 2 HB1 CYS 2 -1.334 4.913 -8.566 12 H GLY 3 HN GLY 3 0.654 2.161 -6.473 13 1HA GLY 3 HA2 GLY 3 0.298 -0.550 -6.626 14 2HA GLY 3 HA1 GLY 3 0.281 0.346 -5.128 15 H ILE 4 HN ILE 4 -1.369 -1.805 -6.629 16 HA ILE 4 HA ILE 4 -4.075 -0.693 -6.399 17 HB ILE 4 HB ILE 4 -4.726 -2.955 -7.444 18 1HG1 ILE 4 HG12 ILE 4 -1.728 -3.075 -7.886 19 2HG1 ILE 4 HG11 ILE 4 -2.674 -4.200 -6.888 20 1HG2 ILE 4 HG21 ILE 4 -2.942 -1.147 -9.077 21 2HG2 ILE 4 HG22 ILE 4 -4.626 -0.813 -8.646 22 3HG2 ILE 4 HG23 ILE 4 -4.245 -2.202 -9.646 23 1HD1 ILE 4 HD11 ILE 4 -2.759 -3.831 -9.867 24 2HD1 ILE 4 HD12 ILE 4 -3.882 -4.854 -8.955 25 3HD1 ILE 4 HD13 ILE 4 -2.156 -5.203 -8.946 26 H LEU 5 HN LEU 5 -5.631 -2.643 -5.870 27 HA LEU 5 HA LEU 5 -6.188 -2.322 -3.380 28 1HB LEU 5 HB2 LEU 5 -7.600 -4.291 -3.352 29 2HB LEU 5 HB1 LEU 5 -7.653 -3.471 -4.895 30 HG LEU 5 HG LEU 5 -6.000 -5.948 -4.434 31 1HD1 LEU 5 HD11 LEU 5 -8.359 -6.447 -4.053 32 2HD1 LEU 5 HD12 LEU 5 -7.738 -7.183 -5.524 33 3HD1 LEU 5 HD13 LEU 5 -8.747 -5.743 -5.633 34 1HD2 LEU 5 HD21 LEU 5 -6.801 -4.432 -6.912 35 2HD2 LEU 5 HD22 LEU 5 -6.160 -6.074 -6.920 36 3HD2 LEU 5 HD23 LEU 5 -5.169 -4.765 -6.313 37 H HIS 6 HN HIS 6 -4.092 -5.012 -4.346 38 HA HIS 6 HA HIS 6 -3.043 -5.090 -1.610 39 1HB HIS 6 HB2 HIS 6 -3.254 -7.492 -1.393 40 2HB HIS 6 HB1 HIS 6 -4.838 -6.785 -1.673 41 HD1 HIS 6 HD1 HIS 6 -2.139 -8.679 -3.559 42 HD2 HIS 6 HD2 HIS 6 -6.206 -7.885 -3.738 43 HE1 HIS 6 HE1 HIS 6 -2.990 -9.979 -5.517 44 HE2 HIS 6 HE2 HIS 6 -5.428 -9.373 -5.702 45 H ASP 7 HN ASP 7 -1.968 -3.972 -3.847 46 HA ASP 7 HA ASP 7 -0.133 -5.830 -5.092 47 1HB ASP 7 HB2 ASP 7 -0.808 -3.959 -6.347 48 2HB ASP 7 HB1 ASP 7 -0.319 -2.795 -5.151 49 H ASN 8 HN ASN 8 1.793 -6.325 -4.522 50 HA ASN 8 HA ASN 8 2.643 -5.942 -1.862 51 1HB ASN 8 HB2 ASN 8 4.026 -7.146 -4.216 52 2HB ASN 8 HB1 ASN 8 4.718 -7.147 -2.588 53 1HD2 ASN 8 HD21 ASN 8 4.748 -9.382 -2.461 54 2HD2 ASN 8 HD22 ASN 8 3.288 -10.291 -2.294 55 H CYS 9 HN CYS 9 4.062 -4.703 -0.922 56 HA CYS 9 HA CYS 9 5.765 -2.922 -2.416 57 1HB CYS 9 HB2 CYS 9 4.788 -0.851 -1.495 58 2HB CYS 9 HB1 CYS 9 3.647 -1.713 -2.509 59 H VAL 10 HN VAL 10 7.105 -1.700 -1.149 60 HA VAL 10 HA VAL 10 7.748 -2.895 1.473 61 HB VAL 10 HB VAL 10 9.749 -1.420 1.411 62 1HG1 VAL 10 HG11 VAL 10 9.858 -3.698 0.518 63 2HG1 VAL 10 HG12 VAL 10 10.915 -2.587 -0.345 64 3HG1 VAL 10 HG13 VAL 10 9.397 -3.093 -1.084 65 1HG2 VAL 10 HG21 VAL 10 10.308 -0.192 -0.580 66 2HG2 VAL 10 HG22 VAL 10 8.793 0.433 0.027 67 3HG2 VAL 10 HG23 VAL 10 8.811 -0.645 -1.369 68 H TYR 11 HN TYR 11 7.806 -1.779 3.327 69 HA TYR 11 HA TYR 11 5.499 -0.086 3.648 70 1HB TYR 11 HB2 TYR 11 6.291 -1.824 5.268 71 2HB TYR 11 HB1 TYR 11 7.628 -0.777 5.716 72 HD1 TYR 11 HD1 TYR 11 7.274 1.084 7.211 73 HD2 TYR 11 HD2 TYR 11 3.931 -1.109 5.735 74 HE1 TYR 11 HE1 TYR 11 5.819 2.192 8.838 75 HE2 TYR 11 HE2 TYR 11 2.492 -0.046 7.398 76 HH TYR 11 HH TYR 11 3.081 2.678 8.803 77 H VAL 12 HN VAL 12 6.166 1.527 2.203 78 HA VAL 12 HA VAL 12 7.810 3.637 3.494 79 HB VAL 12 HB VAL 12 7.782 2.944 0.546 80 1HG1 VAL 12 HG11 VAL 12 7.865 5.308 0.715 81 2HG1 VAL 12 HG12 VAL 12 9.506 4.776 0.457 82 3HG1 VAL 12 HG13 VAL 12 8.993 5.273 2.068 83 1HG2 VAL 12 HG21 VAL 12 10.152 2.529 0.855 84 2HG2 VAL 12 HG22 VAL 12 9.207 1.445 1.862 85 3HG2 VAL 12 HG23 VAL 12 10.022 2.841 2.584 86 HA PRO 13 HA PRO 13 3.565 5.140 3.010 87 1HB PRO 13 HB2 PRO 13 4.440 7.142 4.998 88 2HB PRO 13 HB1 PRO 13 3.166 5.922 5.078 89 1HG PRO 13 HG2 PRO 13 5.441 5.750 6.504 90 2HG PRO 13 HG1 PRO 13 4.570 4.317 5.926 91 1HD PRO 13 HD2 PRO 13 7.032 5.635 4.808 92 2HD PRO 13 HD1 PRO 13 6.634 3.913 5.053 93 H ALA 14 HN ALA 14 6.319 7.329 3.485 94 HA ALA 14 HA ALA 14 5.049 9.625 2.439 95 1HB ALA 14 HB1 ALA 14 7.256 10.634 2.479 96 2HB ALA 14 HB2 ALA 14 8.006 9.037 2.680 97 3HB ALA 14 HB3 ALA 14 6.958 9.689 3.934 98 H GLN 15 HN GLN 15 7.035 7.131 1.025 99 HA GLN 15 HA GLN 15 6.621 8.333 -1.679 100 1HB GLN 15 HB2 GLN 15 8.962 8.227 -0.940 101 2HB GLN 15 HB1 GLN 15 8.839 6.511 -0.675 102 1HG GLN 15 HG2 GLN 15 8.020 7.036 -3.394 103 2HG GLN 15 HG1 GLN 15 9.458 7.967 -3.035 104 1HE2 GLN 15 HE21 GLN 15 8.120 4.727 -3.145 105 2HE2 GLN 15 HE22 GLN 15 9.652 3.939 -3.243 106 H ASN 16 HN ASN 16 4.662 6.877 -0.364 107 HA ASN 16 HA ASN 16 4.730 4.095 -1.010 108 1HB ASN 16 HB2 ASN 16 3.397 4.906 0.837 109 2HB ASN 16 HB1 ASN 16 2.417 5.895 -0.211 110 1HD2 ASN 16 HD21 ASN 16 0.562 4.797 0.577 111 2HD2 ASN 16 HD22 ASN 16 0.211 3.190 0.069 112 HA PRO 17 HA PRO 17 3.629 5.025 -5.288 113 1HB PRO 17 HB2 PRO 17 4.626 2.755 -6.331 114 2HB PRO 17 HB1 PRO 17 5.674 4.028 -5.709 115 1HG PRO 17 HG2 PRO 17 4.915 1.441 -4.429 116 2HG PRO 17 HG1 PRO 17 6.474 2.282 -4.453 117 1HD PRO 17 HD2 PRO 17 4.623 2.346 -2.375 118 2HD PRO 17 HD1 PRO 17 5.980 3.457 -2.622 119 H CYS 18 HN CYS 18 1.616 4.528 -3.666 120 HA CYS 18 HA CYS 18 0.038 2.395 -4.857 121 1HB CYS 18 HB2 CYS 18 1.188 1.664 -2.684 122 2HB CYS 18 HB1 CYS 18 0.131 2.806 -1.904 123 H CYS 19 HN CYS 19 -2.081 2.806 -4.960 124 HA CYS 19 HA CYS 19 -2.705 5.553 -5.256 125 1HB CYS 19 HB2 CYS 19 -4.153 2.999 -5.529 126 2HB CYS 19 HB1 CYS 19 -5.195 4.355 -5.124 127 H ARG 20 HN ARG 20 -4.058 6.885 -4.223 128 HA ARG 20 HA ARG 20 -3.654 6.792 -1.396 129 1HB ARG 20 HB2 ARG 20 -3.614 8.882 -2.952 130 2HB ARG 20 HB1 ARG 20 -5.359 8.863 -2.812 131 1HG ARG 20 HG2 ARG 20 -4.674 10.374 -1.192 132 2HG ARG 20 HG1 ARG 20 -5.018 8.928 -0.251 133 1HD ARG 20 HD2 ARG 20 -2.353 10.058 -1.080 134 2HD ARG 20 HD1 ARG 20 -2.981 9.836 0.545 135 HE ARG 20 HE ARG 20 -2.878 7.350 0.081 136 1HH1 ARG 20 HH11 ARG 20 -0.526 9.691 -1.081 137 2HH1 ARG 20 HH12 ARG 20 0.653 8.490 -1.399 138 1HH2 ARG 20 HH21 ARG 20 -1.316 5.780 -0.445 139 2HH2 ARG 20 HH22 ARG 20 0.234 6.278 -1.037 140 H GLY 21 HN GLY 21 -4.887 6.165 0.108 141 1HA GLY 21 HA2 GLY 21 -7.095 5.760 0.989 142 2HA GLY 21 HA1 GLY 21 -7.657 5.288 -0.609 143 H LEU 22 HN LEU 22 -4.685 4.135 -0.635 144 HA LEU 22 HA LEU 22 -5.338 1.594 0.751 145 1HB LEU 22 HB2 LEU 22 -3.583 2.133 -1.664 146 2HB LEU 22 HB1 LEU 22 -3.666 0.594 -0.819 147 HG LEU 22 HG LEU 22 -6.100 0.475 -1.421 148 1HD1 LEU 22 HD11 LEU 22 -6.368 2.038 -3.631 149 2HD1 LEU 22 HD12 LEU 22 -5.534 3.135 -2.549 150 3HD1 LEU 22 HD13 LEU 22 -7.038 2.387 -2.054 151 1HD2 LEU 22 HD21 LEU 22 -5.698 -0.194 -3.696 152 2HD2 LEU 22 HD22 LEU 22 -4.376 -0.726 -2.664 153 3HD2 LEU 22 HD23 LEU 22 -4.166 0.678 -3.727 154 H GLN 23 HN GLN 23 -3.958 0.770 2.069 155 HA GLN 23 HA GLN 23 -1.722 2.502 2.991 156 1HB GLN 23 HB2 GLN 23 -1.924 1.310 5.135 157 2HB GLN 23 HB1 GLN 23 -3.367 2.146 4.665 158 1HG GLN 23 HG2 GLN 23 -4.433 0.092 3.958 159 2HG GLN 23 HG1 GLN 23 -2.976 -0.811 4.339 160 1HE2 GLN 23 HE21 GLN 23 -5.700 -1.129 5.333 161 2HE2 GLN 23 HE22 GLN 23 -5.550 -0.956 7.045 162 H CYS 24 HN CYS 24 0.194 1.895 2.501 163 HA CYS 24 HA CYS 24 0.761 -0.805 1.557 164 1HB CYS 24 HB2 CYS 24 1.847 1.038 0.504 165 2HB CYS 24 HB1 CYS 24 2.597 1.573 2.002 166 H ARG 25 HN ARG 25 0.573 -2.225 3.062 167 HA ARG 25 HA ARG 25 1.910 -1.842 5.677 168 1HB ARG 25 HB2 ARG 25 -0.113 -3.851 4.621 169 2HB ARG 25 HB1 ARG 25 0.651 -4.031 6.205 170 1HG ARG 25 HG2 ARG 25 -1.074 -1.688 5.313 171 2HG ARG 25 HG1 ARG 25 -1.567 -3.036 6.333 172 1HD ARG 25 HD2 ARG 25 -0.240 -2.398 8.106 173 2HD ARG 25 HD1 ARG 25 0.786 -1.349 7.134 174 HE ARG 25 HE ARG 25 -1.942 -0.503 7.265 175 1HH1 ARG 25 HH11 ARG 25 1.104 -0.430 8.984 176 2HH1 ARG 25 HH12 ARG 25 0.795 1.119 9.656 177 1HH2 ARG 25 HH21 ARG 25 -2.326 1.543 8.167 178 2HH2 ARG 25 HH22 ARG 25 -1.140 2.239 9.220 179 H TYR 26 HN TYR 26 3.008 -3.650 6.563 180 HA TYR 26 HA TYR 26 5.333 -4.146 5.108 181 1HB TYR 26 HB2 TYR 26 4.168 -5.691 7.447 182 2HB TYR 26 HB1 TYR 26 5.808 -5.922 6.831 183 HD1 TYR 26 HD1 TYR 26 7.536 -4.250 7.214 184 HD2 TYR 26 HD2 TYR 26 3.556 -3.643 8.659 185 HE1 TYR 26 HE1 TYR 26 8.328 -2.443 8.659 186 HE2 TYR 26 HE2 TYR 26 4.373 -1.891 10.153 187 HH TYR 26 HH TYR 26 6.992 -0.250 9.732 188 H GLY 27 HN GLY 27 5.002 -4.861 3.137 189 1HA GLY 27 HA2 GLY 27 5.324 -7.080 2.067 190 2HA GLY 27 HA1 GLY 27 3.805 -7.579 2.788 191 H LYS 28 HN LYS 28 2.216 -5.354 2.370 192 HA LYS 28 HA LYS 28 2.203 -4.653 -0.427 193 1HB LYS 28 HB2 LYS 28 0.127 -5.965 -0.985 194 2HB LYS 28 HB1 LYS 28 1.566 -6.939 -0.735 195 1HG LYS 28 HG2 LYS 28 0.882 -7.495 1.529 196 2HG LYS 28 HG1 LYS 28 -0.613 -6.553 1.302 197 1HD LYS 28 HD2 LYS 28 -1.351 -8.027 -0.456 198 2HD LYS 28 HD1 LYS 28 0.189 -8.904 -0.447 199 1HE LYS 28 HE2 LYS 28 -1.552 -10.136 0.696 200 2HE LYS 28 HE1 LYS 28 -0.268 -9.698 1.821 201 1HZ LYS 28 HZ1 LYS 28 -1.624 -8.090 2.827 202 2HZ LYS 28 HZ2 LYS 28 -2.654 -9.395 2.556 203 3HZ LYS 28 HZ3 LYS 28 -2.739 -8.049 1.543 204 H CYS 29 HN CYS 29 0.127 -3.809 -1.130 205 HA CYS 29 HA CYS 29 -0.773 -1.825 0.716 206 1HB CYS 29 HB2 CYS 29 -1.610 -2.532 -2.098 207 2HB CYS 29 HB1 CYS 29 -2.308 -1.188 -1.187 208 H LEU 30 HN LEU 30 -2.609 -1.677 1.735 209 HA LEU 30 HA LEU 30 -4.715 -3.720 1.307 210 1HB LEU 30 HB2 LEU 30 -3.818 -2.477 3.910 211 2HB LEU 30 HB1 LEU 30 -5.266 -3.436 3.737 212 HG LEU 30 HG LEU 30 -2.417 -4.393 3.351 213 1HD1 LEU 30 HD11 LEU 30 -3.255 -3.868 5.721 214 2HD1 LEU 30 HD12 LEU 30 -2.613 -5.470 5.398 215 3HD1 LEU 30 HD13 LEU 30 -4.355 -5.227 5.496 216 1HD2 LEU 30 HD21 LEU 30 -5.078 -5.835 3.138 217 2HD2 LEU 30 HD22 LEU 30 -3.517 -6.631 3.297 218 3HD2 LEU 30 HD23 LEU 30 -3.847 -5.660 1.880 219 H VAL 31 HN VAL 31 -6.477 -2.965 0.727 220 HA VAL 31 HA VAL 31 -6.953 -0.191 0.302 221 HB VAL 31 HB VAL 31 -9.388 -1.012 -0.133 222 1HG1 VAL 31 HG11 VAL 31 -8.643 -2.083 -2.288 223 2HG1 VAL 31 HG12 VAL 31 -6.995 -1.888 -1.705 224 3HG1 VAL 31 HG13 VAL 31 -8.009 -0.472 -1.960 225 1HG2 VAL 31 HG21 VAL 31 -9.020 -3.181 1.195 226 2HG2 VAL 31 HG22 VAL 31 -8.043 -3.719 -0.174 227 3HG2 VAL 31 HG23 VAL 31 -9.732 -3.312 -0.404 228 H GLN 32 HN GLN 32 -6.937 1.051 1.944 229 HA GLN 32 HA GLN 32 -8.118 0.692 4.499 230 1HB GLN 32 HB2 GLN 32 -7.796 3.300 2.961 231 2HB GLN 32 HB1 GLN 32 -8.051 3.131 4.694 232 1HG GLN 32 HG2 GLN 32 -5.904 2.208 5.038 233 2HG GLN 32 HG1 GLN 32 -5.603 2.038 3.303 234 1HE2 GLN 32 HE21 GLN 32 -4.094 3.544 5.378 235 2HE2 GLN 32 HE22 GLN 32 -4.014 5.133 4.744 236 H VAL 33 HN VAL 33 -9.178 2.196 1.554 237 HA VAL 33 HA VAL 33 -11.884 2.699 2.542 238 HB VAL 33 HB VAL 33 -12.261 3.656 0.254 239 1HG1 VAL 33 HG11 VAL 33 -10.891 5.611 0.582 240 2HG1 VAL 33 HG12 VAL 33 -9.845 4.750 1.708 241 3HG1 VAL 33 HG13 VAL 33 -11.540 5.064 2.124 242 1HG2 VAL 33 HG21 VAL 33 -10.337 4.026 -1.197 243 2HG2 VAL 33 HG22 VAL 33 -10.631 2.312 -1.046 244 3HG2 VAL 33 HG23 VAL 33 -9.312 3.066 -0.161 245 1HG HSL 34 HG1 HSL 34 -12.463 -4.178 1.173 246 2HG HSL 34 HG2 HSL 34 -11.739 -3.962 2.780 247 H HSL 34 HN HSL 34 -11.834 0.308 2.940 248 HA HSL 34 HA HSL 34 -13.257 -1.073 0.550 249 1HB HSL 34 HB1 HSL 34 -11.010 -1.906 2.276 250 2HB HSL 34 HB2 HSL 34 -11.361 -2.314 0.593 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 3.887 1.762 -12.878 2 2H ALA 1 HT2 ALA 1 4.566 2.209 -11.396 3 3H ALA 1 HT3 ALA 1 3.301 3.126 -12.074 4 HA ALA 1 HA ALA 1 1.795 1.245 -11.885 5 1HB ALA 1 HB1 ALA 1 4.103 -0.122 -10.479 6 2HB ALA 1 HB2 ALA 1 3.471 -0.498 -12.077 7 3HB ALA 1 HB3 ALA 1 2.460 -0.768 -10.662 8 H CYS 2 HN CYS 2 0.400 1.972 -10.559 9 HA CYS 2 HA CYS 2 1.185 3.168 -7.980 10 1HB CYS 2 HB2 CYS 2 -0.404 4.319 -9.475 11 2HB CYS 2 HB1 CYS 2 -1.542 2.991 -9.321 12 H GLY 3 HN GLY 3 0.819 2.272 -6.109 13 1HA GLY 3 HA2 GLY 3 0.528 -0.497 -5.840 14 2HA GLY 3 HA1 GLY 3 0.514 0.660 -4.544 15 H ILE 4 HN ILE 4 -1.178 -1.719 -5.622 16 HA ILE 4 HA ILE 4 -3.860 -0.511 -5.248 17 HB ILE 4 HB ILE 4 -4.718 -2.423 -6.636 18 1HG1 ILE 4 HG12 ILE 4 -1.799 -2.813 -7.346 19 2HG1 ILE 4 HG11 ILE 4 -2.704 -3.930 -6.321 20 1HG2 ILE 4 HG21 ILE 4 -4.402 -0.170 -7.534 21 2HG2 ILE 4 HG22 ILE 4 -4.215 -1.435 -8.733 22 3HG2 ILE 4 HG23 ILE 4 -2.787 -0.626 -8.086 23 1HD1 ILE 4 HD11 ILE 4 -3.196 -3.317 -9.224 24 2HD1 ILE 4 HD12 ILE 4 -4.233 -4.344 -8.221 25 3HD1 ILE 4 HD13 ILE 4 -2.556 -4.792 -8.509 26 H LEU 5 HN LEU 5 -5.436 -2.276 -4.842 27 HA LEU 5 HA LEU 5 -5.343 -2.761 -2.176 28 1HB LEU 5 HB2 LEU 5 -7.404 -3.965 -2.418 29 2HB LEU 5 HB1 LEU 5 -7.365 -2.618 -3.537 30 HG LEU 5 HG LEU 5 -6.716 -5.438 -4.420 31 1HD1 LEU 5 HD11 LEU 5 -8.970 -5.421 -3.508 32 2HD1 LEU 5 HD12 LEU 5 -8.939 -5.627 -5.255 33 3HD1 LEU 5 HD13 LEU 5 -9.379 -4.062 -4.572 34 1HD2 LEU 5 HD21 LEU 5 -7.462 -4.423 -6.627 35 2HD2 LEU 5 HD22 LEU 5 -5.896 -3.946 -6.017 36 3HD2 LEU 5 HD23 LEU 5 -7.275 -2.844 -5.860 37 H HIS 6 HN HIS 6 -3.928 -4.761 -4.584 38 HA HIS 6 HA HIS 6 -2.985 -6.553 -2.454 39 1HB HIS 6 HB2 HIS 6 -3.519 -8.572 -3.738 40 2HB HIS 6 HB1 HIS 6 -4.976 -7.666 -3.369 41 HD1 HIS 6 HD1 HIS 6 -2.716 -8.518 -6.270 42 HD2 HIS 6 HD2 HIS 6 -6.479 -6.960 -5.535 43 HE1 HIS 6 HE1 HIS 6 -3.818 -8.310 -8.511 44 HE2 HIS 6 HE2 HIS 6 -6.033 -7.204 -8.054 45 H ASP 7 HN ASP 7 -1.647 -4.543 -3.468 46 HA ASP 7 HA ASP 7 0.262 -5.797 -5.378 47 1HB ASP 7 HB2 ASP 7 -0.431 -3.620 -6.053 48 2HB ASP 7 HB1 ASP 7 -0.056 -2.904 -4.498 49 H ASN 8 HN ASN 8 1.861 -6.779 -4.574 50 HA ASN 8 HA ASN 8 2.648 -6.742 -1.869 51 1HB ASN 8 HB2 ASN 8 4.135 -7.616 -4.355 52 2HB ASN 8 HB1 ASN 8 4.772 -7.855 -2.721 53 1HD2 ASN 8 HD21 ASN 8 3.751 -9.356 -1.337 54 2HD2 ASN 8 HD22 ASN 8 2.668 -10.536 -1.983 55 H CYS 9 HN CYS 9 3.584 -5.236 -0.796 56 HA CYS 9 HA CYS 9 5.038 -3.089 -2.172 57 1HB CYS 9 HB2 CYS 9 2.700 -2.441 -2.107 58 2HB CYS 9 HB1 CYS 9 2.607 -2.745 -0.383 59 H VAL 10 HN VAL 10 6.410 -1.958 -1.017 60 HA VAL 10 HA VAL 10 7.181 -3.041 1.637 61 HB VAL 10 HB VAL 10 8.661 -1.119 -0.201 62 1HG1 VAL 10 HG11 VAL 10 9.385 -0.670 2.022 63 2HG1 VAL 10 HG12 VAL 10 10.581 -1.743 1.329 64 3HG1 VAL 10 HG13 VAL 10 9.392 -2.385 2.457 65 1HG2 VAL 10 HG21 VAL 10 8.496 -3.374 -1.156 66 2HG2 VAL 10 HG22 VAL 10 9.160 -4.057 0.340 67 3HG2 VAL 10 HG23 VAL 10 10.136 -2.978 -0.654 68 H TYR 11 HN TYR 11 7.034 -1.918 3.406 69 HA TYR 11 HA TYR 11 5.075 0.175 3.504 70 1HB TYR 11 HB2 TYR 11 5.369 -1.508 5.223 71 2HB TYR 11 HB1 TYR 11 6.905 -0.855 5.722 72 HD1 TYR 11 HD1 TYR 11 6.916 0.973 7.266 73 HD2 TYR 11 HD2 TYR 11 3.254 -0.182 5.430 74 HE1 TYR 11 HE1 TYR 11 5.678 2.445 8.784 75 HE2 TYR 11 HE2 TYR 11 2.015 1.299 6.924 76 HH TYR 11 HH TYR 11 2.622 2.249 9.468 77 H VAL 12 HN VAL 12 5.934 1.754 2.206 78 HA VAL 12 HA VAL 12 7.804 3.555 3.662 79 HB VAL 12 HB VAL 12 8.660 4.367 1.447 80 1HG1 VAL 12 HG11 VAL 12 9.985 2.913 2.911 81 2HG1 VAL 12 HG12 VAL 12 10.294 2.624 1.203 82 3HG1 VAL 12 HG13 VAL 12 9.299 1.490 2.110 83 1HG2 VAL 12 HG21 VAL 12 7.628 3.663 -0.379 84 2HG2 VAL 12 HG22 VAL 12 6.785 2.358 0.427 85 3HG2 VAL 12 HG23 VAL 12 8.421 2.115 -0.163 86 HA PRO 13 HA PRO 13 3.739 5.556 3.244 87 1HB PRO 13 HB2 PRO 13 5.033 7.196 5.388 88 2HB PRO 13 HB1 PRO 13 3.441 6.428 5.323 89 1HG PRO 13 HG2 PRO 13 5.397 5.426 6.813 90 2HG PRO 13 HG1 PRO 13 4.274 4.351 5.954 91 1HD PRO 13 HD2 PRO 13 7.098 5.119 5.263 92 2HD PRO 13 HD1 PRO 13 6.257 3.554 5.178 93 H ALA 14 HN ALA 14 6.853 7.204 3.719 94 HA ALA 14 HA ALA 14 6.039 9.759 2.861 95 1HB ALA 14 HB1 ALA 14 8.084 9.342 4.115 96 2HB ALA 14 HB2 ALA 14 8.417 10.269 2.657 97 3HB ALA 14 HB3 ALA 14 8.814 8.540 2.728 98 H GLN 15 HN GLN 15 7.477 7.044 1.168 99 HA GLN 15 HA GLN 15 6.868 8.372 -1.448 100 1HB GLN 15 HB2 GLN 15 8.827 6.137 -0.802 101 2HB GLN 15 HB1 GLN 15 8.536 6.849 -2.406 102 1HG GLN 15 HG2 GLN 15 9.386 9.003 -1.610 103 2HG GLN 15 HG1 GLN 15 9.660 8.314 -0.002 104 1HE2 GLN 15 HE21 GLN 15 11.561 9.526 -1.869 105 2HE2 GLN 15 HE22 GLN 15 12.742 8.297 -2.152 106 H ASN 16 HN ASN 16 4.837 7.352 -0.015 107 HA ASN 16 HA ASN 16 4.178 4.680 -0.349 108 1HB ASN 16 HB2 ASN 16 2.904 6.133 1.090 109 2HB ASN 16 HB1 ASN 16 2.337 7.096 -0.268 110 1HD2 ASN 16 HD21 ASN 16 0.162 6.678 0.124 111 2HD2 ASN 16 HD22 ASN 16 -0.520 5.105 -0.084 112 HA PRO 17 HA PRO 17 3.861 4.766 -4.827 113 1HB PRO 17 HB2 PRO 17 3.889 2.098 -5.151 114 2HB PRO 17 HB1 PRO 17 5.319 2.988 -4.622 115 1HG PRO 17 HG2 PRO 17 3.358 1.449 -2.940 116 2HG PRO 17 HG1 PRO 17 5.132 1.409 -2.929 117 1HD PRO 17 HD2 PRO 17 3.664 2.849 -1.181 118 2HD PRO 17 HD1 PRO 17 5.312 3.306 -1.682 119 H CYS 18 HN CYS 18 1.721 3.621 -2.452 120 HA CYS 18 HA CYS 18 -0.232 2.472 -4.145 121 1HB CYS 18 HB2 CYS 18 -0.317 3.244 -1.238 122 2HB CYS 18 HB1 CYS 18 -1.561 2.390 -2.076 123 H CYS 19 HN CYS 19 -2.198 3.108 -4.596 124 HA CYS 19 HA CYS 19 -2.528 5.877 -5.305 125 1HB CYS 19 HB2 CYS 19 -4.622 3.670 -5.198 126 2HB CYS 19 HB1 CYS 19 -4.707 5.175 -6.121 127 H ARG 20 HN ARG 20 -4.329 7.152 -4.703 128 HA ARG 20 HA ARG 20 -4.263 7.740 -1.946 129 1HB ARG 20 HB2 ARG 20 -5.928 9.423 -2.387 130 2HB ARG 20 HB1 ARG 20 -4.751 9.371 -3.704 131 1HG ARG 20 HG2 ARG 20 -6.333 8.092 -5.091 132 2HG ARG 20 HG1 ARG 20 -7.534 8.166 -3.798 133 1HD ARG 20 HD2 ARG 20 -7.515 10.598 -3.905 134 2HD ARG 20 HD1 ARG 20 -6.377 10.512 -5.251 135 HE ARG 20 HE ARG 20 -9.144 9.397 -5.263 136 1HH1 ARG 20 HH11 ARG 20 -6.466 10.975 -6.925 137 2HH1 ARG 20 HH12 ARG 20 -7.345 11.137 -8.384 138 1HH2 ARG 20 HH21 ARG 20 -10.262 9.610 -7.230 139 2HH2 ARG 20 HH22 ARG 20 -9.492 10.371 -8.582 140 H GLY 21 HN GLY 21 -5.155 6.809 -0.335 141 1HA GLY 21 HA2 GLY 21 -7.008 6.074 0.884 142 2HA GLY 21 HA1 GLY 21 -7.850 5.593 -0.577 143 H LEU 22 HN LEU 22 -4.778 4.574 -1.042 144 HA LEU 22 HA LEU 22 -5.309 1.907 0.108 145 1HB LEU 22 HB2 LEU 22 -3.496 2.838 -2.130 146 2HB LEU 22 HB1 LEU 22 -3.400 1.250 -1.432 147 HG LEU 22 HG LEU 22 -4.611 1.174 -3.499 148 1HD1 LEU 22 HD11 LEU 22 -5.258 -0.334 -1.578 149 2HD1 LEU 22 HD12 LEU 22 -6.491 -0.055 -2.800 150 3HD1 LEU 22 HD13 LEU 22 -6.599 0.781 -1.260 151 1HD2 LEU 22 HD21 LEU 22 -5.506 3.583 -3.245 152 2HD2 LEU 22 HD22 LEU 22 -6.804 2.851 -2.325 153 3HD2 LEU 22 HD23 LEU 22 -6.523 2.374 -3.986 154 H GLN 23 HN GLN 23 -4.114 1.060 1.538 155 HA GLN 23 HA GLN 23 -1.908 2.681 2.678 156 1HB GLN 23 HB2 GLN 23 -3.793 2.449 4.128 157 2HB GLN 23 HB1 GLN 23 -3.833 0.726 4.014 158 1HG GLN 23 HG2 GLN 23 -2.912 1.498 6.115 159 2HG GLN 23 HG1 GLN 23 -1.677 0.640 5.212 160 1HE2 GLN 23 HE21 GLN 23 0.137 1.801 4.489 161 2HE2 GLN 23 HE22 GLN 23 0.436 3.416 4.976 162 H CYS 24 HN CYS 24 -0.092 1.948 2.034 163 HA CYS 24 HA CYS 24 0.399 -0.801 1.378 164 1HB CYS 24 HB2 CYS 24 1.645 0.863 0.216 165 2HB CYS 24 HB1 CYS 24 2.245 1.555 1.684 166 H ARG 25 HN ARG 25 0.909 -2.340 2.627 167 HA ARG 25 HA ARG 25 2.075 -1.788 5.303 168 1HB ARG 25 HB2 ARG 25 -0.251 -2.890 5.162 169 2HB ARG 25 HB1 ARG 25 0.534 -4.278 4.442 170 1HG ARG 25 HG2 ARG 25 0.271 -4.759 6.725 171 2HG ARG 25 HG1 ARG 25 1.990 -4.447 6.517 172 1HD ARG 25 HD2 ARG 25 1.099 -3.403 8.525 173 2HD ARG 25 HD1 ARG 25 1.698 -2.187 7.398 174 HE ARG 25 HE ARG 25 -1.180 -2.827 7.303 175 1HH1 ARG 25 HH11 ARG 25 1.295 -0.678 8.598 176 2HH1 ARG 25 HH12 ARG 25 0.185 0.608 8.832 177 1HH2 ARG 25 HH21 ARG 25 -2.609 -1.105 7.622 178 2HH2 ARG 25 HH22 ARG 25 -2.033 0.383 8.295 179 H TYR 26 HN TYR 26 3.836 -2.912 5.856 180 HA TYR 26 HA TYR 26 5.674 -3.574 3.877 181 1HB TYR 26 HB2 TYR 26 7.039 -4.638 5.672 182 2HB TYR 26 HB1 TYR 26 6.485 -3.047 6.060 183 HD1 TYR 26 HD1 TYR 26 4.443 -2.773 7.620 184 HD2 TYR 26 HD2 TYR 26 6.601 -6.440 7.145 185 HE1 TYR 26 HE1 TYR 26 3.548 -3.578 9.739 186 HE2 TYR 26 HE2 TYR 26 5.700 -7.231 9.275 187 HH TYR 26 HH TYR 26 4.754 -5.880 11.506 188 H GLY 27 HN GLY 27 5.133 -4.899 2.393 189 1HA GLY 27 HA2 GLY 27 5.388 -7.353 1.946 190 2HA GLY 27 HA1 GLY 27 4.049 -7.593 3.061 191 H LYS 28 HN LYS 28 2.306 -5.653 2.450 192 HA LYS 28 HA LYS 28 1.735 -5.733 -0.424 193 1HB LYS 28 HB2 LYS 28 -0.370 -6.848 -0.224 194 2HB LYS 28 HB1 LYS 28 0.892 -7.861 0.482 195 1HG LYS 28 HG2 LYS 28 0.232 -7.232 2.740 196 2HG LYS 28 HG1 LYS 28 -0.946 -6.083 2.120 197 1HD LYS 28 HD2 LYS 28 -2.102 -8.027 2.790 198 2HD LYS 28 HD1 LYS 28 -2.197 -7.913 1.034 199 1HE LYS 28 HE2 LYS 28 -1.770 -10.188 1.810 200 2HE LYS 28 HE1 LYS 28 -0.428 -9.620 0.829 201 1HZ LYS 28 HZ1 LYS 28 0.919 -9.389 2.718 202 2HZ LYS 28 HZ2 LYS 28 0.070 -10.818 2.989 203 3HZ LYS 28 HZ3 LYS 28 -0.389 -9.416 3.806 204 H CYS 29 HN CYS 29 0.138 -4.428 -1.082 205 HA CYS 29 HA CYS 29 -0.481 -2.194 0.717 206 1HB CYS 29 HB2 CYS 29 0.537 -1.776 -1.514 207 2HB CYS 29 HB1 CYS 29 -0.889 -2.408 -2.275 208 H LEU 30 HN LEU 30 -2.395 -1.865 1.476 209 HA LEU 30 HA LEU 30 -4.654 -3.551 0.497 210 1HB LEU 30 HB2 LEU 30 -3.849 -2.872 3.345 211 2HB LEU 30 HB1 LEU 30 -5.381 -3.631 2.909 212 HG LEU 30 HG LEU 30 -2.640 -4.844 2.464 213 1HD1 LEU 30 HD11 LEU 30 -3.245 -4.707 4.842 214 2HD1 LEU 30 HD12 LEU 30 -3.252 -6.360 4.242 215 3HD1 LEU 30 HD13 LEU 30 -4.781 -5.522 4.494 216 1HD2 LEU 30 HD21 LEU 30 -4.025 -5.742 0.790 217 2HD2 LEU 30 HD22 LEU 30 -5.446 -5.787 1.843 218 3HD2 LEU 30 HD23 LEU 30 -4.121 -6.906 2.100 219 H VAL 31 HN VAL 31 -6.705 -2.818 1.389 220 HA VAL 31 HA VAL 31 -7.116 -0.064 0.621 221 HB VAL 31 HB VAL 31 -9.109 -2.046 1.787 222 1HG1 VAL 31 HG11 VAL 31 -9.419 0.650 0.430 223 2HG1 VAL 31 HG12 VAL 31 -10.016 0.144 2.021 224 3HG1 VAL 31 HG13 VAL 31 -10.721 -0.527 0.565 225 1HG2 VAL 31 HG21 VAL 31 -8.114 -2.899 -0.289 226 2HG2 VAL 31 HG22 VAL 31 -8.527 -1.385 -1.112 227 3HG2 VAL 31 HG23 VAL 31 -9.799 -2.438 -0.499 228 H GLN 32 HN GLN 32 -6.679 1.491 1.878 229 HA GLN 32 HA GLN 32 -6.141 1.299 4.634 230 1HB GLN 32 HB2 GLN 32 -5.407 3.094 2.982 231 2HB GLN 32 HB1 GLN 32 -6.984 3.835 3.185 232 1HG GLN 32 HG2 GLN 32 -6.560 4.059 5.611 233 2HG GLN 32 HG1 GLN 32 -4.953 3.389 5.401 234 1HE2 GLN 32 HE21 GLN 32 -5.656 5.961 6.453 235 2HE2 GLN 32 HE22 GLN 32 -4.975 7.126 5.416 236 H VAL 33 HN VAL 33 -7.362 1.138 6.253 237 HA VAL 33 HA VAL 33 -10.296 1.398 5.988 238 HB VAL 33 HB VAL 33 -8.600 0.183 8.207 239 1HG1 VAL 33 HG11 VAL 33 -10.678 0.807 9.177 240 2HG1 VAL 33 HG12 VAL 33 -10.809 -0.897 8.793 241 3HG1 VAL 33 HG13 VAL 33 -11.594 0.288 7.754 242 1HG2 VAL 33 HG21 VAL 33 -9.333 -1.961 7.312 243 2HG2 VAL 33 HG22 VAL 33 -8.369 -1.078 6.140 244 3HG2 VAL 33 HG23 VAL 33 -10.130 -1.156 5.961 245 1HG HSL 34 HG1 HSL 34 -5.793 4.628 11.179 246 2HG HSL 34 HG2 HSL 34 -7.271 5.587 11.405 247 H HSL 34 HN HSL 34 -7.506 2.597 7.666 248 HA HSL 34 HA HSL 34 -8.943 4.567 8.792 249 1HB HSL 34 HB1 HSL 34 -8.383 3.730 10.823 250 2HB HSL 34 HB2 HSL 34 -6.918 2.952 10.212 Start of MODEL 20 1 1H ALA 1 HT1 ALA 1 2.455 3.862 -12.640 2 2H ALA 1 HT2 ALA 1 0.995 4.696 -12.364 3 3H ALA 1 HT3 ALA 1 1.204 3.803 -13.779 4 HA ALA 1 HA ALA 1 -0.223 2.611 -12.307 5 1HB ALA 1 HB1 ALA 1 2.504 1.320 -12.570 6 2HB ALA 1 HB2 ALA 1 1.237 1.367 -13.791 7 3HB ALA 1 HB3 ALA 1 0.969 0.472 -12.299 8 H CYS 2 HN CYS 2 -0.888 2.918 -10.379 9 HA CYS 2 HA CYS 2 0.990 3.343 -8.147 10 1HB CYS 2 HB2 CYS 2 -0.909 4.120 -6.926 11 2HB CYS 2 HB1 CYS 2 -1.011 4.812 -8.528 12 H GLY 3 HN GLY 3 0.927 2.133 -6.302 13 1HA GLY 3 HA2 GLY 3 0.477 -0.592 -6.360 14 2HA GLY 3 HA1 GLY 3 0.608 0.379 -4.916 15 H ILE 4 HN ILE 4 -1.194 -1.839 -5.808 16 HA ILE 4 HA ILE 4 -3.836 -0.563 -5.453 17 HB ILE 4 HB ILE 4 -4.755 -2.577 -6.644 18 1HG1 ILE 4 HG12 ILE 4 -1.862 -3.006 -7.419 19 2HG1 ILE 4 HG11 ILE 4 -2.735 -4.054 -6.290 20 1HG2 ILE 4 HG21 ILE 4 -2.876 -0.859 -8.266 21 2HG2 ILE 4 HG22 ILE 4 -4.496 -0.401 -7.718 22 3HG2 ILE 4 HG23 ILE 4 -4.303 -1.740 -8.835 23 1HD1 ILE 4 HD11 ILE 4 -4.308 -4.593 -8.122 24 2HD1 ILE 4 HD12 ILE 4 -2.638 -5.067 -8.411 25 3HD1 ILE 4 HD13 ILE 4 -3.288 -3.644 -9.215 26 H LEU 5 HN LEU 5 -5.449 -2.123 -4.788 27 HA LEU 5 HA LEU 5 -5.177 -2.587 -2.107 28 1HB LEU 5 HB2 LEU 5 -7.343 -3.599 -2.175 29 2HB LEU 5 HB1 LEU 5 -7.292 -2.256 -3.297 30 HG LEU 5 HG LEU 5 -6.955 -5.118 -4.214 31 1HD1 LEU 5 HD11 LEU 5 -9.093 -4.940 -3.074 32 2HD1 LEU 5 HD12 LEU 5 -9.257 -5.146 -4.814 33 3HD1 LEU 5 HD13 LEU 5 -9.511 -3.554 -4.099 34 1HD2 LEU 5 HD21 LEU 5 -7.855 -4.031 -6.340 35 2HD2 LEU 5 HD22 LEU 5 -6.198 -3.698 -5.901 36 3HD2 LEU 5 HD23 LEU 5 -7.447 -2.481 -5.601 37 H HIS 6 HN HIS 6 -4.064 -4.630 -4.585 38 HA HIS 6 HA HIS 6 -3.184 -6.531 -2.531 39 1HB HIS 6 HB2 HIS 6 -3.826 -8.459 -3.963 40 2HB HIS 6 HB1 HIS 6 -5.207 -7.545 -3.386 41 HD1 HIS 6 HD1 HIS 6 -3.250 -8.189 -6.559 42 HD2 HIS 6 HD2 HIS 6 -6.892 -6.650 -5.335 43 HE1 HIS 6 HE1 HIS 6 -4.563 -7.786 -8.656 44 HE2 HIS 6 HE2 HIS 6 -6.684 -6.665 -7.900 45 H ASP 7 HN ASP 7 -1.718 -4.586 -3.447 46 HA ASP 7 HA ASP 7 0.151 -5.982 -5.316 47 1HB ASP 7 HB2 ASP 7 -0.627 -3.853 -6.175 48 2HB ASP 7 HB1 ASP 7 -0.090 -2.993 -4.754 49 H ASN 8 HN ASN 8 2.072 -6.456 -4.657 50 HA ASN 8 HA ASN 8 2.650 -6.273 -1.832 51 1HB ASN 8 HB2 ASN 8 4.252 -7.387 -4.157 52 2HB ASN 8 HB1 ASN 8 4.777 -7.485 -2.470 53 1HD2 ASN 8 HD21 ASN 8 4.227 -9.640 -4.348 54 2HD2 ASN 8 HD22 ASN 8 2.977 -10.572 -3.604 55 H CYS 9 HN CYS 9 3.912 -4.949 -0.812 56 HA CYS 9 HA CYS 9 5.914 -3.297 -2.082 57 1HB CYS 9 HB2 CYS 9 4.834 -1.149 -1.627 58 2HB CYS 9 HB1 CYS 9 3.833 -2.103 -2.698 59 H VAL 10 HN VAL 10 6.961 -1.897 -0.628 60 HA VAL 10 HA VAL 10 7.083 -3.020 2.111 61 HB VAL 10 HB VAL 10 9.151 -1.674 2.356 62 1HG1 VAL 10 HG11 VAL 10 9.267 -3.993 1.581 63 2HG1 VAL 10 HG12 VAL 10 10.535 -2.990 0.887 64 3HG1 VAL 10 HG13 VAL 10 9.145 -3.439 -0.099 65 1HG2 VAL 10 HG21 VAL 10 8.714 0.189 0.850 66 2HG2 VAL 10 HG22 VAL 10 8.659 -0.900 -0.541 67 3HG2 VAL 10 HG23 VAL 10 10.155 -0.666 0.343 68 H TYR 11 HN TYR 11 7.065 -1.745 3.878 69 HA TYR 11 HA TYR 11 4.849 0.058 3.892 70 1HB TYR 11 HB2 TYR 11 5.070 0.081 6.278 71 2HB TYR 11 HB1 TYR 11 5.365 -1.519 5.722 72 HD1 TYR 11 HD1 TYR 11 8.044 -1.990 5.197 73 HD2 TYR 11 HD2 TYR 11 6.453 0.830 7.978 74 HE1 TYR 11 HE1 TYR 11 10.154 -2.009 6.404 75 HE2 TYR 11 HE2 TYR 11 8.575 0.811 9.187 76 HH TYR 11 HH TYR 11 11.355 -0.131 8.056 77 H VAL 12 HN VAL 12 5.719 1.588 2.390 78 HA VAL 12 HA VAL 12 7.252 3.712 3.814 79 HB VAL 12 HB VAL 12 8.265 4.363 1.622 80 1HG1 VAL 12 HG11 VAL 12 9.005 1.593 2.589 81 2HG1 VAL 12 HG12 VAL 12 9.543 3.121 3.308 82 3HG1 VAL 12 HG13 VAL 12 10.013 2.705 1.665 83 1HG2 VAL 12 HG21 VAL 12 6.796 3.265 0.029 84 2HG2 VAL 12 HG22 VAL 12 7.169 1.692 0.714 85 3HG2 VAL 12 HG23 VAL 12 8.407 2.599 -0.121 86 HA PRO 13 HA PRO 13 3.018 5.110 2.483 87 1HB PRO 13 HB2 PRO 13 3.303 6.433 5.150 88 2HB PRO 13 HB1 PRO 13 1.949 5.542 4.442 89 1HG PRO 13 HG2 PRO 13 3.453 4.486 6.362 90 2HG PRO 13 HG1 PRO 13 2.819 3.478 5.045 91 1HD PRO 13 HD2 PRO 13 5.587 4.591 5.442 92 2HD PRO 13 HD1 PRO 13 5.017 3.018 4.879 93 H ALA 14 HN ALA 14 5.772 6.632 4.030 94 HA ALA 14 HA ALA 14 5.403 9.296 3.528 95 1HB ALA 14 HB1 ALA 14 7.844 9.499 3.546 96 2HB ALA 14 HB2 ALA 14 8.001 7.749 3.288 97 3HB ALA 14 HB3 ALA 14 7.276 8.366 4.768 98 H GLN 15 HN GLN 15 6.655 6.807 1.406 99 HA GLN 15 HA GLN 15 6.176 8.580 -0.956 100 1HB GLN 15 HB2 GLN 15 8.219 6.337 -0.686 101 2HB GLN 15 HB1 GLN 15 8.022 7.408 -2.071 102 1HG GLN 15 HG2 GLN 15 9.001 8.133 0.702 103 2HG GLN 15 HG1 GLN 15 9.952 8.006 -0.774 104 1HE2 GLN 15 HE21 GLN 15 7.929 9.342 -2.481 105 2HE2 GLN 15 HE22 GLN 15 7.996 10.981 -1.999 106 H ASN 16 HN ASN 16 4.129 7.403 0.050 107 HA ASN 16 HA ASN 16 3.598 4.736 -0.354 108 1HB ASN 16 HB2 ASN 16 2.158 6.392 0.825 109 2HB ASN 16 HB1 ASN 16 1.582 6.991 -0.711 110 1HD2 ASN 16 HD21 ASN 16 0.063 5.823 1.466 111 2HD2 ASN 16 HD22 ASN 16 -0.684 4.410 0.811 112 HA PRO 17 HA PRO 17 3.861 4.708 -4.846 113 1HB PRO 17 HB2 PRO 17 3.943 2.019 -5.091 114 2HB PRO 17 HB1 PRO 17 5.302 2.956 -4.469 115 1HG PRO 17 HG2 PRO 17 3.244 1.407 -2.929 116 2HG PRO 17 HG1 PRO 17 5.007 1.454 -2.733 117 1HD PRO 17 HD2 PRO 17 3.290 2.874 -1.199 118 2HD PRO 17 HD1 PRO 17 4.966 3.392 -1.530 119 H CYS 18 HN CYS 18 1.497 3.404 -2.730 120 HA CYS 18 HA CYS 18 -0.273 2.410 -4.714 121 1HB CYS 18 HB2 CYS 18 -0.752 2.906 -1.783 122 2HB CYS 18 HB1 CYS 18 -1.778 1.991 -2.874 123 H CYS 19 HN CYS 19 -2.398 3.083 -5.034 124 HA CYS 19 HA CYS 19 -2.647 5.912 -5.422 125 1HB CYS 19 HB2 CYS 19 -4.474 3.558 -5.688 126 2HB CYS 19 HB1 CYS 19 -5.204 5.162 -5.650 127 H ARG 20 HN ARG 20 -3.809 7.368 -4.403 128 HA ARG 20 HA ARG 20 -3.606 7.318 -1.571 129 1HB ARG 20 HB2 ARG 20 -5.112 9.217 -3.413 130 2HB ARG 20 HB1 ARG 20 -4.849 9.526 -1.693 131 1HG ARG 20 HG2 ARG 20 -2.728 9.276 -3.845 132 2HG ARG 20 HG1 ARG 20 -3.288 10.750 -3.054 133 1HD ARG 20 HD2 ARG 20 -2.436 10.042 -0.933 134 2HD ARG 20 HD1 ARG 20 -1.998 8.444 -1.562 135 HE ARG 20 HE ARG 20 -0.632 10.281 -3.125 136 1HH1 ARG 20 HH11 ARG 20 -0.735 9.342 0.272 137 2HH1 ARG 20 HH12 ARG 20 0.926 9.708 0.518 138 1HH2 ARG 20 HH21 ARG 20 1.541 10.748 -2.756 139 2HH2 ARG 20 HH22 ARG 20 2.228 10.506 -1.184 140 H GLY 21 HN GLY 21 -4.726 6.438 -0.173 141 1HA GLY 21 HA2 GLY 21 -6.958 6.177 0.791 142 2HA GLY 21 HA1 GLY 21 -7.556 5.680 -0.786 143 H LEU 22 HN LEU 22 -4.629 4.421 -0.857 144 HA LEU 22 HA LEU 22 -5.448 1.873 0.422 145 1HB LEU 22 HB2 LEU 22 -3.462 2.402 -1.783 146 2HB LEU 22 HB1 LEU 22 -3.870 0.816 -1.135 147 HG LEU 22 HG LEU 22 -5.765 2.659 -2.620 148 1HD1 LEU 22 HD11 LEU 22 -4.249 0.215 -3.469 149 2HD1 LEU 22 HD12 LEU 22 -4.171 1.829 -4.167 150 3HD1 LEU 22 HD13 LEU 22 -5.626 0.856 -4.350 151 1HD2 LEU 22 HD21 LEU 22 -7.035 1.327 -1.076 152 2HD2 LEU 22 HD22 LEU 22 -6.119 -0.133 -1.486 153 3HD2 LEU 22 HD23 LEU 22 -7.190 0.608 -2.670 154 H GLN 23 HN GLN 23 -4.216 0.876 1.767 155 HA GLN 23 HA GLN 23 -1.995 2.418 2.979 156 1HB GLN 23 HB2 GLN 23 -3.822 2.017 4.445 157 2HB GLN 23 HB1 GLN 23 -3.870 0.298 4.084 158 1HG GLN 23 HG2 GLN 23 -1.630 0.099 5.166 159 2HG GLN 23 HG1 GLN 23 -1.669 1.818 5.524 160 1HE2 GLN 23 HE21 GLN 23 -1.487 1.374 7.744 161 2HE2 GLN 23 HE22 GLN 23 -2.841 0.763 8.626 162 H CYS 24 HN CYS 24 -0.257 1.839 1.959 163 HA CYS 24 HA CYS 24 0.374 -0.877 1.248 164 1HB CYS 24 HB2 CYS 24 1.261 0.824 -0.118 165 2HB CYS 24 HB1 CYS 24 1.970 1.661 1.225 166 H ARG 25 HN ARG 25 0.552 -2.253 2.786 167 HA ARG 25 HA ARG 25 2.154 -1.567 5.206 168 1HB ARG 25 HB2 ARG 25 0.333 -3.937 4.617 169 2HB ARG 25 HB1 ARG 25 1.193 -3.629 6.139 170 1HG ARG 25 HG2 ARG 25 -0.119 -1.566 6.452 171 2HG ARG 25 HG1 ARG 25 -0.973 -1.891 4.934 172 1HD ARG 25 HD2 ARG 25 -2.304 -2.568 6.805 173 2HD ARG 25 HD1 ARG 25 -1.825 -3.987 5.866 174 HE ARG 25 HE ARG 25 0.055 -3.589 7.959 175 1HH1 ARG 25 HH11 ARG 25 -3.321 -4.483 7.570 176 2HH1 ARG 25 HH12 ARG 25 -3.312 -5.483 8.969 177 1HH2 ARG 25 HH21 ARG 25 0.042 -4.915 9.775 178 2HH2 ARG 25 HH22 ARG 25 -1.413 -5.737 10.233 179 H TYR 26 HN TYR 26 3.757 -2.878 5.870 180 HA TYR 26 HA TYR 26 5.671 -3.523 3.969 181 1HB TYR 26 HB2 TYR 26 6.318 -3.227 6.251 182 2HB TYR 26 HB1 TYR 26 5.341 -4.561 6.796 183 HD1 TYR 26 HD1 TYR 26 8.206 -3.772 4.499 184 HD2 TYR 26 HD2 TYR 26 6.398 -6.632 7.114 185 HE1 TYR 26 HE1 TYR 26 10.150 -5.225 4.259 186 HE2 TYR 26 HE2 TYR 26 8.283 -8.146 6.745 187 HH TYR 26 HH TYR 26 11.130 -7.218 5.955 188 H GLY 27 HN GLY 27 5.220 -4.749 2.363 189 1HA GLY 27 HA2 GLY 27 5.497 -7.027 1.626 190 2HA GLY 27 HA1 GLY 27 4.342 -7.552 2.838 191 H LYS 28 HN LYS 28 2.359 -5.657 2.555 192 HA LYS 28 HA LYS 28 1.419 -6.011 -0.219 193 1HB LYS 28 HB2 LYS 28 0.853 -8.047 1.000 194 2HB LYS 28 HB1 LYS 28 0.038 -7.110 2.257 195 1HG LYS 28 HG2 LYS 28 -1.572 -6.298 0.493 196 2HG LYS 28 HG1 LYS 28 -0.757 -7.388 -0.657 197 1HD LYS 28 HD2 LYS 28 -1.375 -9.312 0.691 198 2HD LYS 28 HD1 LYS 28 -2.072 -8.261 1.939 199 1HE LYS 28 HE2 LYS 28 -3.696 -7.448 0.229 200 2HE LYS 28 HE1 LYS 28 -3.034 -8.623 -0.894 201 1HZ LYS 28 HZ1 LYS 28 -4.317 -9.275 1.711 202 2HZ LYS 28 HZ2 LYS 28 -3.691 -10.397 0.593 203 3HZ LYS 28 HZ3 LYS 28 -5.007 -9.427 0.176 204 H CYS 29 HN CYS 29 0.238 -4.493 -0.895 205 HA CYS 29 HA CYS 29 -0.530 -2.275 0.821 206 1HB CYS 29 HB2 CYS 29 0.527 -1.944 -1.426 207 2HB CYS 29 HB1 CYS 29 -0.886 -2.585 -2.167 208 H LEU 30 HN LEU 30 -2.380 -2.130 1.706 209 HA LEU 30 HA LEU 30 -4.674 -3.697 0.619 210 1HB LEU 30 HB2 LEU 30 -3.881 -2.976 3.454 211 2HB LEU 30 HB1 LEU 30 -5.483 -3.590 3.046 212 HG LEU 30 HG LEU 30 -2.893 -5.101 2.585 213 1HD1 LEU 30 HD11 LEU 30 -3.447 -4.742 4.988 214 2HD1 LEU 30 HD12 LEU 30 -3.487 -6.415 4.471 215 3HD1 LEU 30 HD13 LEU 30 -4.997 -5.539 4.712 216 1HD2 LEU 30 HD21 LEU 30 -5.814 -5.847 2.272 217 2HD2 LEU 30 HD22 LEU 30 -4.486 -6.996 2.311 218 3HD2 LEU 30 HD23 LEU 30 -4.569 -5.814 1.016 219 H VAL 31 HN VAL 31 -6.752 -2.862 1.419 220 HA VAL 31 HA VAL 31 -6.986 -0.083 0.609 221 HB VAL 31 HB VAL 31 -9.164 -1.941 1.625 222 1HG1 VAL 31 HG11 VAL 31 -9.216 0.694 0.117 223 2HG1 VAL 31 HG12 VAL 31 -9.914 0.338 1.706 224 3HG1 VAL 31 HG13 VAL 31 -10.593 -0.392 0.267 225 1HG2 VAL 31 HG21 VAL 31 -8.062 -2.941 -0.307 226 2HG2 VAL 31 HG22 VAL 31 -8.273 -1.438 -1.223 227 3HG2 VAL 31 HG23 VAL 31 -9.676 -2.367 -0.706 228 H GLN 32 HN GLN 32 -6.723 1.483 1.902 229 HA GLN 32 HA GLN 32 -6.575 1.243 4.759 230 1HB GLN 32 HB2 GLN 32 -5.400 2.925 3.211 231 2HB GLN 32 HB1 GLN 32 -6.896 3.828 3.157 232 1HG GLN 32 HG2 GLN 32 -5.299 3.192 5.657 233 2HG GLN 32 HG1 GLN 32 -5.273 4.709 4.766 234 1HE2 GLN 32 HE21 GLN 32 -7.096 6.101 4.849 235 2HE2 GLN 32 HE22 GLN 32 -8.276 5.906 6.095 236 H VAL 33 HN VAL 33 -8.425 0.429 5.496 237 HA VAL 33 HA VAL 33 -10.966 1.894 4.941 238 HB VAL 33 HB VAL 33 -10.610 -0.861 6.171 239 1HG1 VAL 33 HG11 VAL 33 -13.035 0.773 5.370 240 2HG1 VAL 33 HG12 VAL 33 -12.665 0.047 6.944 241 3HG1 VAL 33 HG13 VAL 33 -13.070 -0.975 5.581 242 1HG2 VAL 33 HG21 VAL 33 -11.531 -1.666 4.025 243 2HG2 VAL 33 HG22 VAL 33 -9.934 -0.987 3.883 244 3HG2 VAL 33 HG23 VAL 33 -11.328 -0.056 3.342 245 1HG HSL 34 HG1 HSL 34 -9.824 6.550 9.071 246 2HG HSL 34 HG2 HSL 34 -9.905 5.581 10.557 247 H HSL 34 HN HSL 34 -11.024 3.502 6.274 248 HA HSL 34 HA HSL 34 -11.131 2.826 9.303 249 1HB HSL 34 HB1 HSL 34 -9.127 3.886 9.313 250 2HB HSL 34 HB2 HSL 34 -9.456 4.743 7.803 Start of MODEL 21 1 1H ALA 1 HT1 ALA 1 0.350 1.622 -13.811 2 2H ALA 1 HT2 ALA 1 1.726 1.955 -12.887 3 3H ALA 1 HT3 ALA 1 0.301 2.862 -12.666 4 HA ALA 1 HA ALA 1 -0.877 0.888 -11.913 5 1HB ALA 1 HB1 ALA 1 0.333 -1.196 -11.476 6 2HB ALA 1 HB2 ALA 1 1.814 -0.484 -12.149 7 3HB ALA 1 HB3 ALA 1 0.406 -0.738 -13.174 8 H CYS 2 HN CYS 2 -1.253 1.994 -10.171 9 HA CYS 2 HA CYS 2 0.849 2.699 -8.251 10 1HB CYS 2 HB2 CYS 2 -0.878 3.823 -7.045 11 2HB CYS 2 HB1 CYS 2 -1.177 4.133 -8.750 12 H GLY 3 HN GLY 3 0.663 2.048 -6.064 13 1HA GLY 3 HA2 GLY 3 0.388 -0.634 -5.535 14 2HA GLY 3 HA1 GLY 3 0.375 0.595 -4.329 15 H ILE 4 HN ILE 4 -1.298 -1.842 -5.487 16 HA ILE 4 HA ILE 4 -3.968 -0.794 -4.815 17 HB ILE 4 HB ILE 4 -4.870 -2.647 -6.243 18 1HG1 ILE 4 HG12 ILE 4 -2.004 -2.864 -7.202 19 2HG1 ILE 4 HG11 ILE 4 -2.782 -4.081 -6.180 20 1HG2 ILE 4 HG21 ILE 4 -4.702 -0.332 -7.032 21 2HG2 ILE 4 HG22 ILE 4 -4.546 -1.511 -8.319 22 3HG2 ILE 4 HG23 ILE 4 -3.110 -0.679 -7.715 23 1HD1 ILE 4 HD11 ILE 4 -3.499 -3.312 -8.995 24 2HD1 ILE 4 HD12 ILE 4 -4.442 -4.425 -7.989 25 3HD1 ILE 4 HD13 ILE 4 -2.777 -4.808 -8.415 26 H LEU 5 HN LEU 5 -5.416 -2.857 -4.419 27 HA LEU 5 HA LEU 5 -4.711 -3.290 -1.723 28 1HB LEU 5 HB2 LEU 5 -6.931 -4.212 -1.450 29 2HB LEU 5 HB1 LEU 5 -6.933 -2.739 -2.378 30 HG LEU 5 HG LEU 5 -6.763 -4.882 -4.279 31 1HD1 LEU 5 HD11 LEU 5 -7.652 -6.325 -2.494 32 2HD1 LEU 5 HD12 LEU 5 -8.783 -6.078 -3.818 33 3HD1 LEU 5 HD13 LEU 5 -9.022 -5.216 -2.300 34 1HD2 LEU 5 HD21 LEU 5 -9.045 -3.021 -3.599 35 2HD2 LEU 5 HD22 LEU 5 -8.809 -3.938 -5.085 36 3HD2 LEU 5 HD23 LEU 5 -7.692 -2.641 -4.680 37 H HIS 6 HN HIS 6 -3.552 -4.947 -4.183 38 HA HIS 6 HA HIS 6 -2.729 -7.052 -2.370 39 1HB HIS 6 HB2 HIS 6 -3.282 -8.871 -3.993 40 2HB HIS 6 HB1 HIS 6 -4.691 -8.093 -3.299 41 HD1 HIS 6 HD1 HIS 6 -2.679 -7.953 -6.544 42 HD2 HIS 6 HD2 HIS 6 -6.533 -7.333 -5.107 43 HE1 HIS 6 HE1 HIS 6 -4.077 -7.464 -8.557 44 HE2 HIS 6 HE2 HIS 6 -6.386 -7.011 -7.666 45 H ASP 7 HN ASP 7 -1.543 -4.787 -3.517 46 HA ASP 7 HA ASP 7 0.331 -5.951 -5.510 47 1HB ASP 7 HB2 ASP 7 -0.639 -3.878 -6.182 48 2HB ASP 7 HB1 ASP 7 -0.192 -3.069 -4.698 49 H ASN 8 HN ASN 8 2.240 -6.477 -4.951 50 HA ASN 8 HA ASN 8 3.162 -6.502 -2.297 51 1HB ASN 8 HB2 ASN 8 5.292 -7.283 -3.156 52 2HB ASN 8 HB1 ASN 8 3.979 -8.040 -4.045 53 1HD2 ASN 8 HD21 ASN 8 3.594 -7.445 -6.218 54 2HD2 ASN 8 HD22 ASN 8 4.817 -6.631 -7.122 55 H CYS 9 HN CYS 9 3.831 -4.973 -1.111 56 HA CYS 9 HA CYS 9 5.122 -2.581 -2.234 57 1HB CYS 9 HB2 CYS 9 2.696 -2.150 -2.135 58 2HB CYS 9 HB1 CYS 9 2.680 -2.505 -0.416 59 H VAL 10 HN VAL 10 6.620 -1.813 -1.086 60 HA VAL 10 HA VAL 10 7.247 -3.002 1.552 61 HB VAL 10 HB VAL 10 9.412 -1.808 1.333 62 1HG1 VAL 10 HG11 VAL 10 9.195 -4.114 0.533 63 2HG1 VAL 10 HG12 VAL 10 10.342 -3.179 -0.419 64 3HG1 VAL 10 HG13 VAL 10 8.740 -3.515 -1.072 65 1HG2 VAL 10 HG21 VAL 10 8.786 0.116 -0.019 66 2HG2 VAL 10 HG22 VAL 10 8.329 -0.930 -1.369 67 3HG2 VAL 10 HG23 VAL 10 10.001 -0.824 -0.858 68 H TYR 11 HN TYR 11 7.450 -1.823 3.301 69 HA TYR 11 HA TYR 11 5.500 0.142 3.739 70 1HB TYR 11 HB2 TYR 11 6.453 0.315 6.036 71 2HB TYR 11 HB1 TYR 11 6.147 -1.328 5.502 72 HD1 TYR 11 HD1 TYR 11 8.593 0.857 6.910 73 HD2 TYR 11 HD2 TYR 11 8.161 -2.689 4.551 74 HE1 TYR 11 HE1 TYR 11 10.885 0.196 7.452 75 HE2 TYR 11 HE2 TYR 11 10.450 -3.320 5.086 76 HH TYR 11 HH TYR 11 12.666 -1.845 5.852 77 H VAL 12 HN VAL 12 5.989 1.623 2.101 78 HA VAL 12 HA VAL 12 7.811 3.754 3.086 79 HB VAL 12 HB VAL 12 8.097 4.467 0.722 80 1HG1 VAL 12 HG11 VAL 12 9.247 1.780 1.410 81 2HG1 VAL 12 HG12 VAL 12 9.874 3.350 1.947 82 3HG1 VAL 12 HG13 VAL 12 9.881 2.934 0.237 83 1HG2 VAL 12 HG21 VAL 12 7.692 3.020 -1.079 84 2HG2 VAL 12 HG22 VAL 12 6.180 3.032 -0.210 85 3HG2 VAL 12 HG23 VAL 12 7.282 1.685 -0.040 86 HA PRO 13 HA PRO 13 3.604 5.460 3.062 87 1HB PRO 13 HB2 PRO 13 4.050 7.109 5.192 88 2HB PRO 13 HB1 PRO 13 3.622 5.406 5.341 89 1HG PRO 13 HG2 PRO 13 6.303 6.690 5.608 90 2HG PRO 13 HG1 PRO 13 5.568 5.386 6.548 91 1HD PRO 13 HD2 PRO 13 7.401 4.999 4.586 92 2HD PRO 13 HD1 PRO 13 6.204 3.772 5.077 93 H ALA 14 HN ALA 14 6.639 7.181 3.661 94 HA ALA 14 HA ALA 14 5.759 9.721 2.707 95 1HB ALA 14 HB1 ALA 14 8.094 10.363 3.004 96 2HB ALA 14 HB2 ALA 14 8.550 8.663 3.238 97 3HB ALA 14 HB3 ALA 14 7.492 9.465 4.393 98 H GLN 15 HN GLN 15 6.618 6.856 1.248 99 HA GLN 15 HA GLN 15 6.915 8.171 -1.370 100 1HB GLN 15 HB2 GLN 15 9.095 7.430 -0.471 101 2HB GLN 15 HB1 GLN 15 8.494 5.805 -0.309 102 1HG GLN 15 HG2 GLN 15 8.173 5.707 -2.792 103 2HG GLN 15 HG1 GLN 15 8.828 7.341 -2.882 104 1HE2 GLN 15 HE21 GLN 15 9.523 3.967 -2.240 105 2HE2 GLN 15 HE22 GLN 15 11.236 4.139 -2.383 106 H ASN 16 HN ASN 16 4.606 7.331 -0.160 107 HA ASN 16 HA ASN 16 3.840 4.681 -0.587 108 1HB ASN 16 HB2 ASN 16 2.585 6.253 0.791 109 2HB ASN 16 HB1 ASN 16 2.091 7.162 -0.629 110 1HD2 ASN 16 HD21 ASN 16 1.599 4.329 1.309 111 2HD2 ASN 16 HD22 ASN 16 0.209 3.766 0.452 112 HA PRO 17 HA PRO 17 3.715 4.852 -5.091 113 1HB PRO 17 HB2 PRO 17 3.887 2.220 -5.471 114 2HB PRO 17 HB1 PRO 17 5.243 3.120 -4.782 115 1HG PRO 17 HG2 PRO 17 3.167 1.491 -3.324 116 2HG PRO 17 HG1 PRO 17 4.934 1.464 -3.174 117 1HD PRO 17 HD2 PRO 17 3.302 2.856 -1.508 118 2HD PRO 17 HD1 PRO 17 4.994 3.293 -1.845 119 H CYS 18 HN CYS 18 1.532 3.771 -2.799 120 HA CYS 18 HA CYS 18 -0.363 2.478 -4.446 121 1HB CYS 18 HB2 CYS 18 -0.551 3.459 -1.624 122 2HB CYS 18 HB1 CYS 18 -1.731 2.456 -2.421 123 H CYS 19 HN CYS 19 -2.461 3.087 -4.822 124 HA CYS 19 HA CYS 19 -2.787 5.882 -5.461 125 1HB CYS 19 HB2 CYS 19 -4.624 3.499 -5.484 126 2HB CYS 19 HB1 CYS 19 -5.283 5.122 -5.704 127 H ARG 20 HN ARG 20 -3.696 7.405 -4.409 128 HA ARG 20 HA ARG 20 -3.418 7.380 -1.591 129 1HB ARG 20 HB2 ARG 20 -4.867 9.385 -3.365 130 2HB ARG 20 HB1 ARG 20 -4.405 9.677 -1.684 131 1HG ARG 20 HG2 ARG 20 -2.612 9.321 -4.083 132 2HG ARG 20 HG1 ARG 20 -2.833 10.749 -3.072 133 1HD ARG 20 HD2 ARG 20 -1.881 9.492 -1.149 134 2HD ARG 20 HD1 ARG 20 -1.557 8.145 -2.239 135 HE ARG 20 HE ARG 20 -0.368 10.846 -2.557 136 1HH1 ARG 20 HH11 ARG 20 -0.049 7.328 -2.620 137 2HH1 ARG 20 HH12 ARG 20 1.589 7.421 -3.043 138 1HH2 ARG 20 HH21 ARG 20 1.835 10.878 -3.054 139 2HH2 ARG 20 HH22 ARG 20 2.706 9.391 -3.237 140 H GLY 21 HN GLY 21 -4.522 6.400 -0.247 141 1HA GLY 21 HA2 GLY 21 -6.823 6.462 0.787 142 2HA GLY 21 HA1 GLY 21 -7.416 5.866 -0.759 143 H LEU 22 HN LEU 22 -4.739 4.385 -0.958 144 HA LEU 22 HA LEU 22 -5.550 2.048 0.681 145 1HB LEU 22 HB2 LEU 22 -3.881 2.267 -1.842 146 2HB LEU 22 HB1 LEU 22 -4.051 0.792 -0.895 147 HG LEU 22 HG LEU 22 -6.538 0.908 -1.325 148 1HD1 LEU 22 HD11 LEU 22 -5.690 3.113 -3.195 149 2HD1 LEU 22 HD12 LEU 22 -6.907 3.167 -1.922 150 3HD1 LEU 22 HD13 LEU 22 -7.186 2.209 -3.345 151 1HD2 LEU 22 HD21 LEU 22 -6.370 -0.037 -3.512 152 2HD2 LEU 22 HD22 LEU 22 -5.012 -0.594 -2.543 153 3HD2 LEU 22 HD23 LEU 22 -4.780 0.681 -3.753 154 H GLN 23 HN GLN 23 -4.274 1.131 2.038 155 HA GLN 23 HA GLN 23 -1.908 2.660 2.909 156 1HB GLN 23 HB2 GLN 23 -3.600 2.091 4.525 157 2HB GLN 23 HB1 GLN 23 -3.438 0.392 4.251 158 1HG GLN 23 HG2 GLN 23 -0.971 0.775 5.003 159 2HG GLN 23 HG1 GLN 23 -1.549 2.353 5.542 160 1HE2 GLN 23 HE21 GLN 23 -0.429 0.106 7.053 161 2HE2 GLN 23 HE22 GLN 23 -1.645 -0.288 8.215 162 H CYS 24 HN CYS 24 0.045 1.992 2.638 163 HA CYS 24 HA CYS 24 0.566 -0.652 1.466 164 1HB CYS 24 HB2 CYS 24 1.717 1.190 0.457 165 2HB CYS 24 HB1 CYS 24 2.385 1.697 1.984 166 H ARG 25 HN ARG 25 0.654 -2.230 2.748 167 HA ARG 25 HA ARG 25 1.782 -1.890 5.488 168 1HB ARG 25 HB2 ARG 25 -0.505 -2.595 5.480 169 2HB ARG 25 HB1 ARG 25 -0.190 -3.867 4.297 170 1HG ARG 25 HG2 ARG 25 1.137 -5.105 5.946 171 2HG ARG 25 HG1 ARG 25 0.943 -3.789 7.118 172 1HD ARG 25 HD2 ARG 25 -1.305 -4.245 7.426 173 2HD ARG 25 HD1 ARG 25 -1.446 -5.146 5.903 174 HE ARG 25 HE ARG 25 0.368 -6.511 7.558 175 1HH1 ARG 25 HH11 ARG 25 -3.042 -5.657 7.566 176 2HH1 ARG 25 HH12 ARG 25 -3.511 -7.145 8.290 177 1HH2 ARG 25 HH21 ARG 25 -0.275 -8.450 8.503 178 2HH2 ARG 25 HH22 ARG 25 -1.951 -8.739 8.833 179 H TYR 26 HN TYR 26 3.116 -3.435 6.254 180 HA TYR 26 HA TYR 26 5.326 -4.099 4.790 181 1HB TYR 26 HB2 TYR 26 4.176 -5.441 7.248 182 2HB TYR 26 HB1 TYR 26 5.754 -5.879 6.587 183 HD1 TYR 26 HD1 TYR 26 3.821 -2.878 7.767 184 HD2 TYR 26 HD2 TYR 26 7.646 -4.756 7.372 185 HE1 TYR 26 HE1 TYR 26 4.842 -1.066 9.039 186 HE2 TYR 26 HE2 TYR 26 8.650 -2.961 8.691 187 HH TYR 26 HH TYR 26 7.134 -0.943 10.590 188 H GLY 27 HN GLY 27 5.012 -4.939 2.864 189 1HA GLY 27 HA2 GLY 27 5.375 -7.145 1.880 190 2HA GLY 27 HA1 GLY 27 3.968 -7.740 2.739 191 H LYS 28 HN LYS 28 2.172 -5.673 2.325 192 HA LYS 28 HA LYS 28 1.899 -5.427 -0.594 193 1HB LYS 28 HB2 LYS 28 -0.169 -6.591 -0.737 194 2HB LYS 28 HB1 LYS 28 0.985 -7.657 0.066 195 1HG LYS 28 HG2 LYS 28 0.031 -7.298 2.201 196 2HG LYS 28 HG1 LYS 28 -0.999 -5.974 1.628 197 1HD LYS 28 HD2 LYS 28 -2.186 -7.602 0.150 198 2HD LYS 28 HD1 LYS 28 -1.233 -8.900 0.895 199 1HE LYS 28 HE2 LYS 28 -2.165 -8.308 3.092 200 2HE LYS 28 HE1 LYS 28 -3.115 -7.016 2.339 201 1HZ LYS 28 HZ1 LYS 28 -4.415 -8.986 2.699 202 2HZ LYS 28 HZ2 LYS 28 -3.375 -9.930 1.764 203 3HZ LYS 28 HZ3 LYS 28 -4.290 -8.691 1.040 204 H CYS 29 HN CYS 29 0.324 -4.099 -1.272 205 HA CYS 29 HA CYS 29 -0.514 -2.043 0.641 206 1HB CYS 29 HB2 CYS 29 0.499 -1.533 -1.610 207 2HB CYS 29 HB1 CYS 29 -0.955 -2.108 -2.359 208 H LEU 30 HN LEU 30 -2.611 -1.533 0.989 209 HA LEU 30 HA LEU 30 -4.745 -3.212 -0.060 210 1HB LEU 30 HB2 LEU 30 -5.520 -3.816 2.243 211 2HB LEU 30 HB1 LEU 30 -4.089 -4.626 1.649 212 HG LEU 30 HG LEU 30 -2.717 -2.893 2.986 213 1HD1 LEU 30 HD11 LEU 30 -4.284 -1.236 3.544 214 2HD1 LEU 30 HD12 LEU 30 -3.989 -2.107 5.025 215 3HD1 LEU 30 HD13 LEU 30 -5.474 -2.398 4.123 216 1HD2 LEU 30 HD21 LEU 30 -3.046 -4.170 5.070 217 2HD2 LEU 30 HD22 LEU 30 -2.784 -5.180 3.656 218 3HD2 LEU 30 HD23 LEU 30 -4.411 -5.000 4.338 219 H VAL 31 HN VAL 31 -6.791 -2.578 0.567 220 HA VAL 31 HA VAL 31 -7.079 0.290 0.491 221 HB VAL 31 HB VAL 31 -9.555 -0.218 0.601 222 1HG1 VAL 31 HG11 VAL 31 -7.748 -1.274 -1.513 223 2HG1 VAL 31 HG12 VAL 31 -8.817 0.113 -1.519 224 3HG1 VAL 31 HG13 VAL 31 -9.486 -1.507 -1.638 225 1HG2 VAL 31 HG21 VAL 31 -9.481 -2.348 1.845 226 2HG2 VAL 31 HG22 VAL 31 -8.609 -3.096 0.505 227 3HG2 VAL 31 HG23 VAL 31 -10.249 -2.525 0.284 228 H GLN 32 HN GLN 32 -6.983 1.565 2.083 229 HA GLN 32 HA GLN 32 -6.919 0.563 4.818 230 1HB GLN 32 HB2 GLN 32 -5.411 2.335 3.786 231 2HB GLN 32 HB1 GLN 32 -6.747 3.451 3.871 232 1HG GLN 32 HG2 GLN 32 -6.855 3.150 6.322 233 2HG GLN 32 HG1 GLN 32 -5.491 2.030 6.239 234 1HE2 GLN 32 HE21 GLN 32 -5.734 4.539 7.707 235 2HE2 GLN 32 HE22 GLN 32 -4.455 5.533 7.109 236 H VAL 33 HN VAL 33 -9.218 -0.104 4.148 237 HA VAL 33 HA VAL 33 -11.229 2.009 4.603 238 HB VAL 33 HB VAL 33 -12.878 0.416 3.780 239 1HG1 VAL 33 HG11 VAL 33 -11.997 0.118 1.439 240 2HG1 VAL 33 HG12 VAL 33 -10.481 0.818 2.003 241 3HG1 VAL 33 HG13 VAL 33 -11.972 1.755 2.082 242 1HG2 VAL 33 HG21 VAL 33 -12.077 -1.716 4.492 243 2HG2 VAL 33 HG22 VAL 33 -10.552 -1.529 3.621 244 3HG2 VAL 33 HG23 VAL 33 -12.053 -1.734 2.741 245 1HG HSL 34 HG1 HSL 34 -14.839 2.418 9.654 246 2HG HSL 34 HG2 HSL 34 -13.830 1.426 10.728 247 H HSL 34 HN HSL 34 -12.772 1.774 6.103 248 HA HSL 34 HA HSL 34 -12.057 -0.128 8.469 249 1HB HSL 34 HB1 HSL 34 -12.129 1.953 9.366 250 2HB HSL 34 HB2 HSL 34 -13.220 2.564 8.116 Start of MODEL 22 1 1H ALA 1 HT1 ALA 1 4.286 3.242 -11.323 2 2H ALA 1 HT2 ALA 1 2.889 3.857 -12.080 3 3H ALA 1 HT3 ALA 1 3.829 2.694 -12.858 4 HA ALA 1 HA ALA 1 1.856 1.674 -12.023 5 1HB ALA 1 HB1 ALA 1 3.895 0.365 -12.118 6 2HB ALA 1 HB2 ALA 1 2.894 -0.161 -10.770 7 3HB ALA 1 HB3 ALA 1 4.329 0.844 -10.480 8 H CYS 2 HN CYS 2 0.255 2.238 -10.842 9 HA CYS 2 HA CYS 2 0.637 3.419 -8.180 10 1HB CYS 2 HB2 CYS 2 -1.046 4.222 -9.901 11 2HB CYS 2 HB1 CYS 2 -2.002 2.791 -9.551 12 H GLY 3 HN GLY 3 0.642 2.287 -6.456 13 1HA GLY 3 HA2 GLY 3 0.419 -0.508 -6.329 14 2HA GLY 3 HA1 GLY 3 0.490 0.596 -4.968 15 H ILE 4 HN ILE 4 -1.252 -1.766 -5.998 16 HA ILE 4 HA ILE 4 -3.900 -0.565 -5.413 17 HB ILE 4 HB ILE 4 -4.872 -2.531 -6.626 18 1HG1 ILE 4 HG12 ILE 4 -2.001 -2.926 -7.545 19 2HG1 ILE 4 HG11 ILE 4 -2.880 -4.037 -6.489 20 1HG2 ILE 4 HG21 ILE 4 -3.088 -0.748 -8.312 21 2HG2 ILE 4 HG22 ILE 4 -4.658 -0.294 -7.633 22 3HG2 ILE 4 HG23 ILE 4 -4.564 -1.588 -8.812 23 1HD1 ILE 4 HD11 ILE 4 -4.504 -4.388 -8.337 24 2HD1 ILE 4 HD12 ILE 4 -2.853 -4.902 -8.668 25 3HD1 ILE 4 HD13 ILE 4 -3.452 -3.404 -9.370 26 H LEU 5 HN LEU 5 -5.404 -2.062 -4.582 27 HA LEU 5 HA LEU 5 -4.762 -2.638 -1.965 28 1HB LEU 5 HB2 LEU 5 -6.999 -3.673 -1.800 29 2HB LEU 5 HB1 LEU 5 -6.977 -2.103 -2.565 30 HG LEU 5 HG LEU 5 -6.861 -4.398 -4.449 31 1HD1 LEU 5 HD11 LEU 5 -8.449 -5.251 -2.782 32 2HD1 LEU 5 HD12 LEU 5 -9.207 -4.852 -4.319 33 3HD1 LEU 5 HD13 LEU 5 -9.394 -3.760 -2.948 34 1HD2 LEU 5 HD21 LEU 5 -8.405 -1.811 -4.355 35 2HD2 LEU 5 HD22 LEU 5 -8.451 -2.993 -5.658 36 3HD2 LEU 5 HD23 LEU 5 -6.961 -2.147 -5.315 37 H HIS 6 HN HIS 6 -4.104 -4.570 -4.642 38 HA HIS 6 HA HIS 6 -3.205 -6.705 -2.827 39 1HB HIS 6 HB2 HIS 6 -3.997 -8.414 -4.461 40 2HB HIS 6 HB1 HIS 6 -5.302 -7.518 -3.705 41 HD1 HIS 6 HD1 HIS 6 -3.649 -8.060 -7.026 42 HD2 HIS 6 HD2 HIS 6 -6.879 -6.030 -5.413 43 HE1 HIS 6 HE1 HIS 6 -5.004 -7.266 -8.984 44 HE2 HIS 6 HE2 HIS 6 -6.970 -6.060 -7.976 45 H ASP 7 HN ASP 7 -1.677 -4.717 -3.605 46 HA ASP 7 HA ASP 7 0.170 -6.157 -5.469 47 1HB ASP 7 HB2 ASP 7 -0.712 -3.786 -6.088 48 2HB ASP 7 HB1 ASP 7 0.396 -3.176 -4.893 49 H ASN 8 HN ASN 8 2.455 -5.674 -4.970 50 HA ASN 8 HA ASN 8 2.775 -6.108 -2.073 51 1HB ASN 8 HB2 ASN 8 4.367 -7.101 -4.435 52 2HB ASN 8 HB1 ASN 8 4.843 -7.347 -2.748 53 1HD2 ASN 8 HD21 ASN 8 4.208 -9.317 -4.818 54 2HD2 ASN 8 HD22 ASN 8 2.907 -10.243 -4.159 55 H CYS 9 HN CYS 9 3.819 -4.776 -0.935 56 HA CYS 9 HA CYS 9 5.972 -3.102 -1.877 57 1HB CYS 9 HB2 CYS 9 4.724 -0.961 -1.416 58 2HB CYS 9 HB1 CYS 9 4.150 -1.843 -2.818 59 H VAL 10 HN VAL 10 6.843 -1.797 -0.275 60 HA VAL 10 HA VAL 10 6.496 -2.977 2.435 61 HB VAL 10 HB VAL 10 8.712 -1.917 2.936 62 1HG1 VAL 10 HG11 VAL 10 8.534 -4.275 2.290 63 2HG1 VAL 10 HG12 VAL 10 10.022 -3.531 1.716 64 3HG1 VAL 10 HG13 VAL 10 8.703 -3.821 0.585 65 1HG2 VAL 10 HG21 VAL 10 10.081 -1.109 1.131 66 2HG2 VAL 10 HG22 VAL 10 8.635 -0.124 1.183 67 3HG2 VAL 10 HG23 VAL 10 8.814 -1.377 -0.051 68 H TYR 11 HN TYR 11 6.537 -1.702 4.229 69 HA TYR 11 HA TYR 11 4.726 0.545 3.992 70 1HB TYR 11 HB2 TYR 11 4.473 -1.130 5.764 71 2HB TYR 11 HB1 TYR 11 6.023 -0.680 6.459 72 HD1 TYR 11 HD1 TYR 11 6.006 0.871 8.216 73 HD2 TYR 11 HD2 TYR 11 2.742 0.892 5.469 74 HE1 TYR 11 HE1 TYR 11 4.865 2.568 9.563 75 HE2 TYR 11 HE2 TYR 11 1.604 2.578 6.814 76 HH TYR 11 HH TYR 11 2.961 4.477 8.931 77 H VAL 12 HN VAL 12 6.177 1.771 2.719 78 HA VAL 12 HA VAL 12 7.874 3.504 4.440 79 HB VAL 12 HB VAL 12 8.267 2.955 1.490 80 1HG1 VAL 12 HG11 VAL 12 8.892 5.211 1.856 81 2HG1 VAL 12 HG12 VAL 12 10.379 4.291 1.939 82 3HG1 VAL 12 HG13 VAL 12 9.622 4.851 3.427 83 1HG2 VAL 12 HG21 VAL 12 10.016 2.202 3.843 84 2HG2 VAL 12 HG22 VAL 12 10.334 1.912 2.134 85 3HG2 VAL 12 HG23 VAL 12 8.999 1.083 2.923 86 HA PRO 13 HA PRO 13 4.119 5.821 3.732 87 1HB PRO 13 HB2 PRO 13 5.781 7.872 5.156 88 2HB PRO 13 HB1 PRO 13 4.141 7.292 5.473 89 1HG PRO 13 HG2 PRO 13 6.201 6.534 6.969 90 2HG PRO 13 HG1 PRO 13 4.885 5.406 6.591 91 1HD PRO 13 HD2 PRO 13 7.657 5.560 5.473 92 2HD PRO 13 HD1 PRO 13 6.612 4.158 5.836 93 H ALA 14 HN ALA 14 7.272 7.425 3.441 94 HA ALA 14 HA ALA 14 6.359 9.578 1.826 95 1HB ALA 14 HB1 ALA 14 8.719 10.057 1.481 96 2HB ALA 14 HB2 ALA 14 9.158 8.463 2.126 97 3HB ALA 14 HB3 ALA 14 8.385 9.657 3.162 98 H GLN 15 HN GLN 15 7.172 6.317 1.153 99 HA GLN 15 HA GLN 15 7.009 6.856 -1.752 100 1HB GLN 15 HB2 GLN 15 9.264 6.237 -0.978 101 2HB GLN 15 HB1 GLN 15 8.638 4.735 -0.293 102 1HG GLN 15 HG2 GLN 15 8.026 3.946 -2.531 103 2HG GLN 15 HG1 GLN 15 8.509 5.490 -3.235 104 1HE2 GLN 15 HE21 GLN 15 9.407 2.721 -3.747 105 2HE2 GLN 15 HE22 GLN 15 11.114 2.777 -3.490 106 H ASN 16 HN ASN 16 4.849 6.433 0.003 107 HA ASN 16 HA ASN 16 3.878 3.763 -0.318 108 1HB ASN 16 HB2 ASN 16 3.038 5.277 1.424 109 2HB ASN 16 HB1 ASN 16 2.327 6.333 0.212 110 1HD2 ASN 16 HD21 ASN 16 0.387 5.728 -0.758 111 2HD2 ASN 16 HD22 ASN 16 -0.521 4.378 -0.188 112 HA PRO 17 HA PRO 17 3.481 4.632 -4.705 113 1HB PRO 17 HB2 PRO 17 3.428 2.095 -5.532 114 2HB PRO 17 HB1 PRO 17 4.865 2.773 -4.759 115 1HG PRO 17 HG2 PRO 17 2.712 1.077 -3.505 116 2HG PRO 17 HG1 PRO 17 4.475 0.891 -3.440 117 1HD PRO 17 HD2 PRO 17 3.037 2.119 -1.495 118 2HD PRO 17 HD1 PRO 17 4.727 2.481 -1.843 119 H CYS 18 HN CYS 18 1.189 3.443 -2.591 120 HA CYS 18 HA CYS 18 -0.640 2.377 -4.462 121 1HB CYS 18 HB2 CYS 18 -0.916 2.937 -1.519 122 2HB CYS 18 HB1 CYS 18 -2.055 2.078 -2.524 123 H CYS 19 HN CYS 19 -2.498 3.041 -5.077 124 HA CYS 19 HA CYS 19 -2.937 5.755 -5.659 125 1HB CYS 19 HB2 CYS 19 -5.010 3.534 -5.407 126 2HB CYS 19 HB1 CYS 19 -5.188 5.041 -6.320 127 H ARG 20 HN ARG 20 -4.010 7.320 -4.777 128 HA ARG 20 HA ARG 20 -3.913 7.697 -2.061 129 1HB ARG 20 HB2 ARG 20 -5.271 9.665 -2.362 130 2HB ARG 20 HB1 ARG 20 -4.127 9.479 -3.691 131 1HG ARG 20 HG2 ARG 20 -5.985 8.528 -5.089 132 2HG ARG 20 HG1 ARG 20 -7.104 8.925 -3.780 133 1HD ARG 20 HD2 ARG 20 -5.469 10.836 -5.424 134 2HD ARG 20 HD1 ARG 20 -7.218 10.618 -5.372 135 HE ARG 20 HE ARG 20 -5.840 11.469 -2.899 136 1HH1 ARG 20 HH11 ARG 20 -7.965 12.342 -5.561 137 2HH1 ARG 20 HH12 ARG 20 -8.389 13.833 -4.832 138 1HH2 ARG 20 HH21 ARG 20 -6.439 13.422 -1.980 139 2HH2 ARG 20 HH22 ARG 20 -7.542 14.463 -2.818 140 H GLY 21 HN GLY 21 -4.761 6.593 -0.562 141 1HA GLY 21 HA2 GLY 21 -6.894 6.291 0.665 142 2HA GLY 21 HA1 GLY 21 -7.576 5.593 -0.796 143 H LEU 22 HN LEU 22 -4.764 4.438 -1.249 144 HA LEU 22 HA LEU 22 -5.163 2.016 0.415 145 1HB LEU 22 HB2 LEU 22 -3.596 2.405 -2.123 146 2HB LEU 22 HB1 LEU 22 -3.851 0.876 -1.301 147 HG LEU 22 HG LEU 22 -5.978 2.571 -2.616 148 1HD1 LEU 22 HD11 LEU 22 -4.715 0.006 -3.538 149 2HD1 LEU 22 HD12 LEU 22 -4.412 1.595 -4.245 150 3HD1 LEU 22 HD13 LEU 22 -6.015 0.876 -4.330 151 1HD2 LEU 22 HD21 LEU 22 -6.996 1.322 -0.868 152 2HD2 LEU 22 HD22 LEU 22 -6.066 -0.138 -1.255 153 3HD2 LEU 22 HD23 LEU 22 -7.305 0.451 -2.360 154 H GLN 23 HN GLN 23 -3.553 1.134 1.519 155 HA GLN 23 HA GLN 23 -1.030 2.669 1.802 156 1HB GLN 23 HB2 GLN 23 -2.690 3.379 3.524 157 2HB GLN 23 HB1 GLN 23 -2.758 1.722 4.132 158 1HG GLN 23 HG2 GLN 23 -0.316 1.863 4.660 159 2HG GLN 23 HG1 GLN 23 -0.315 3.536 4.081 160 1HE2 GLN 23 HE21 GLN 23 -1.422 5.122 5.298 161 2HE2 GLN 23 HE22 GLN 23 -1.798 4.825 6.957 162 H CYS 24 HN CYS 24 0.685 1.519 2.124 163 HA CYS 24 HA CYS 24 0.506 -1.316 1.624 164 1HB CYS 24 HB2 CYS 24 2.846 0.522 1.995 165 2HB CYS 24 HB1 CYS 24 3.020 -1.208 1.684 166 H ARG 25 HN ARG 25 0.274 -2.788 3.061 167 HA ARG 25 HA ARG 25 1.541 -2.630 5.692 168 1HB ARG 25 HB2 ARG 25 -0.365 -4.068 5.524 169 2HB ARG 25 HB1 ARG 25 0.227 -4.858 4.090 170 1HG ARG 25 HG2 ARG 25 0.521 -6.393 5.791 171 2HG ARG 25 HG1 ARG 25 2.142 -5.799 5.523 172 1HD ARG 25 HD2 ARG 25 1.963 -5.827 7.784 173 2HD ARG 25 HD1 ARG 25 1.582 -4.137 7.480 174 HE ARG 25 HE ARG 25 -0.882 -5.196 7.486 175 1HH1 ARG 25 HH11 ARG 25 1.800 -5.635 9.740 176 2HH1 ARG 25 HH12 ARG 25 0.753 -5.985 11.053 177 1HH2 ARG 25 HH21 ARG 25 -2.212 -5.670 9.240 178 2HH2 ARG 25 HH22 ARG 25 -1.518 -6.002 10.793 179 H TYR 26 HN TYR 26 3.455 -3.610 6.205 180 HA TYR 26 HA TYR 26 5.517 -3.452 4.297 181 1HB TYR 26 HB2 TYR 26 5.694 -3.355 6.830 182 2HB TYR 26 HB1 TYR 26 5.666 -5.111 6.841 183 HD1 TYR 26 HD1 TYR 26 7.616 -2.110 6.009 184 HD2 TYR 26 HD2 TYR 26 7.588 -6.391 5.925 185 HE1 TYR 26 HE1 TYR 26 10.023 -2.123 5.601 186 HE2 TYR 26 HE2 TYR 26 10.001 -6.388 5.524 187 HH TYR 26 HH TYR 26 11.976 -4.022 6.130 188 H GLY 27 HN GLY 27 4.790 -4.564 2.542 189 1HA GLY 27 HA2 GLY 27 5.725 -6.799 1.667 190 2HA GLY 27 HA1 GLY 27 4.496 -7.509 2.711 191 H LYS 28 HN LYS 28 2.414 -5.719 2.368 192 HA LYS 28 HA LYS 28 1.846 -5.599 -0.494 193 1HB LYS 28 HB2 LYS 28 -0.066 -6.969 -0.435 194 2HB LYS 28 HB1 LYS 28 1.262 -7.892 0.241 195 1HG LYS 28 HG2 LYS 28 0.512 -7.695 2.448 196 2HG LYS 28 HG1 LYS 28 -0.681 -6.452 2.086 197 1HD LYS 28 HD2 LYS 28 -0.771 -9.331 1.136 198 2HD LYS 28 HD1 LYS 28 -1.698 -8.621 2.456 199 1HE LYS 28 HE2 LYS 28 -2.790 -7.076 0.877 200 2HE LYS 28 HE1 LYS 28 -1.898 -7.808 -0.461 201 1HZ LYS 28 HZ1 LYS 28 -3.847 -9.211 1.278 202 2HZ LYS 28 HZ2 LYS 28 -2.975 -9.909 -0.006 203 3HZ LYS 28 HZ3 LYS 28 -4.088 -8.676 -0.306 204 H CYS 29 HN CYS 29 0.181 -4.407 -1.091 205 HA CYS 29 HA CYS 29 -0.425 -2.199 0.653 206 1HB CYS 29 HB2 CYS 29 0.126 -2.003 -1.795 207 2HB CYS 29 HB1 CYS 29 -1.406 -2.699 -2.131 208 H LEU 30 HN LEU 30 -2.348 -1.561 1.346 209 HA LEU 30 HA LEU 30 -4.611 -3.479 1.195 210 1HB LEU 30 HB2 LEU 30 -3.539 -2.116 3.693 211 2HB LEU 30 HB1 LEU 30 -4.986 -3.126 3.610 212 HG LEU 30 HG LEU 30 -2.164 -4.109 3.086 213 1HD1 LEU 30 HD11 LEU 30 -2.470 -3.429 5.413 214 2HD1 LEU 30 HD12 LEU 30 -2.335 -5.174 5.233 215 3HD1 LEU 30 HD13 LEU 30 -3.915 -4.450 5.521 216 1HD2 LEU 30 HD21 LEU 30 -4.801 -5.579 3.374 217 2HD2 LEU 30 HD22 LEU 30 -3.207 -6.318 3.273 218 3HD2 LEU 30 HD23 LEU 30 -3.840 -5.442 1.894 219 H VAL 31 HN VAL 31 -6.577 -2.638 1.810 220 HA VAL 31 HA VAL 31 -7.025 0.058 0.806 221 HB VAL 31 HB VAL 31 -9.048 -1.889 1.958 222 1HG1 VAL 31 HG11 VAL 31 -9.309 0.668 0.346 223 2HG1 VAL 31 HG12 VAL 31 -10.005 0.292 1.932 224 3HG1 VAL 31 HG13 VAL 31 -10.595 -0.524 0.500 225 1HG2 VAL 31 HG21 VAL 31 -7.849 -2.875 0.035 226 2HG2 VAL 31 HG22 VAL 31 -8.310 -1.469 -0.941 227 3HG2 VAL 31 HG23 VAL 31 -9.546 -2.541 -0.293 228 H GLN 32 HN GLN 32 -6.469 1.599 2.091 229 HA GLN 32 HA GLN 32 -6.790 1.417 4.980 230 1HB GLN 32 HB2 GLN 32 -4.899 2.574 3.842 231 2HB GLN 32 HB1 GLN 32 -5.969 3.838 3.303 232 1HG GLN 32 HG2 GLN 32 -5.633 3.094 6.228 233 2HG GLN 32 HG1 GLN 32 -4.582 4.232 5.398 234 1HE2 GLN 32 HE21 GLN 32 -6.580 4.520 7.637 235 2HE2 GLN 32 HE22 GLN 32 -7.570 5.834 7.113 236 H VAL 33 HN VAL 33 -8.802 1.317 5.533 237 HA VAL 33 HA VAL 33 -10.467 3.716 5.115 238 HB VAL 33 HB VAL 33 -11.191 2.181 3.338 239 1HG1 VAL 33 HG11 VAL 33 -12.021 0.171 5.431 240 2HG1 VAL 33 HG12 VAL 33 -10.493 0.058 4.550 241 3HG1 VAL 33 HG13 VAL 33 -12.020 0.025 3.683 242 1HG2 VAL 33 HG21 VAL 33 -12.833 3.648 4.599 243 2HG2 VAL 33 HG22 VAL 33 -13.319 2.195 5.488 244 3HG2 VAL 33 HG23 VAL 33 -13.502 2.266 3.745 245 1HG HSL 34 HG1 HSL 34 -9.807 2.001 11.822 246 2HG HSL 34 HG2 HSL 34 -8.103 1.912 11.330 247 H HSL 34 HN HSL 34 -9.344 3.754 7.193 248 HA HSL 34 HA HSL 34 -11.069 3.219 9.068 249 1HB HSL 34 HB1 HSL 34 -10.281 1.215 9.777 250 2HB HSL 34 HB2 HSL 34 -8.645 1.536 9.191 Start of MODEL 23 1 1H ALA 1 HT1 ALA 1 1.241 3.039 -13.723 2 2H ALA 1 HT2 ALA 1 2.359 2.501 -12.574 3 3H ALA 1 HT3 ALA 1 1.610 4.021 -12.400 4 HA ALA 1 HA ALA 1 -0.549 2.966 -12.172 5 1HB ALA 1 HB1 ALA 1 1.003 0.368 -12.261 6 2HB ALA 1 HB2 ALA 1 -0.068 1.000 -13.506 7 3HB ALA 1 HB3 ALA 1 -0.735 0.537 -11.945 8 H CYS 2 HN CYS 2 -0.961 3.625 -10.274 9 HA CYS 2 HA CYS 2 0.803 3.471 -8.030 10 1HB CYS 2 HB2 CYS 2 -1.201 4.267 -6.752 11 2HB CYS 2 HB1 CYS 2 -0.781 5.243 -8.125 12 H GLY 3 HN GLY 3 0.663 2.276 -6.211 13 1HA GLY 3 HA2 GLY 3 0.239 -0.425 -6.387 14 2HA GLY 3 HA1 GLY 3 0.340 0.468 -4.890 15 H ILE 4 HN ILE 4 -1.485 -1.596 -6.446 16 HA ILE 4 HA ILE 4 -4.132 -0.521 -5.835 17 HB ILE 4 HB ILE 4 -4.980 -2.584 -6.937 18 1HG1 ILE 4 HG12 ILE 4 -2.055 -3.201 -7.468 19 2HG1 ILE 4 HG11 ILE 4 -3.049 -4.096 -6.318 20 1HG2 ILE 4 HG21 ILE 4 -2.921 -1.121 -8.602 21 2HG2 ILE 4 HG22 ILE 4 -4.544 -0.535 -8.209 22 3HG2 ILE 4 HG23 ILE 4 -4.356 -1.990 -9.168 23 1HD1 ILE 4 HD11 ILE 4 -3.380 -3.945 -9.299 24 2HD1 ILE 4 HD12 ILE 4 -4.528 -4.732 -8.203 25 3HD1 ILE 4 HD13 ILE 4 -2.870 -5.312 -8.317 26 H LEU 5 HN LEU 5 -5.667 -2.298 -5.151 27 HA LEU 5 HA LEU 5 -5.610 -2.230 -2.453 28 1HB LEU 5 HB2 LEU 5 -7.556 -3.567 -2.441 29 2HB LEU 5 HB1 LEU 5 -7.570 -2.629 -3.919 30 HG LEU 5 HG LEU 5 -6.784 -5.560 -3.792 31 1HD1 LEU 5 HD11 LEU 5 -9.127 -5.250 -3.209 32 2HD1 LEU 5 HD12 LEU 5 -8.907 -6.027 -4.771 33 3HD1 LEU 5 HD13 LEU 5 -9.372 -4.328 -4.704 34 1HD2 LEU 5 HD21 LEU 5 -7.256 -3.682 -6.121 35 2HD2 LEU 5 HD22 LEU 5 -7.104 -5.432 -6.239 36 3HD2 LEU 5 HD23 LEU 5 -5.739 -4.484 -5.692 37 H HIS 6 HN HIS 6 -4.067 -4.642 -4.395 38 HA HIS 6 HA HIS 6 -2.906 -5.812 -1.962 39 1HB HIS 6 HB2 HIS 6 -3.356 -8.108 -2.716 40 2HB HIS 6 HB1 HIS 6 -4.854 -7.224 -2.472 41 HD1 HIS 6 HD1 HIS 6 -2.576 -8.107 -5.422 42 HD2 HIS 6 HD2 HIS 6 -6.590 -7.576 -4.501 43 HE1 HIS 6 HE1 HIS 6 -3.809 -8.549 -7.543 44 HE2 HIS 6 HE2 HIS 6 -6.231 -8.148 -6.994 45 H ASP 7 HN ASP 7 -1.697 -4.052 -3.472 46 HA ASP 7 HA ASP 7 0.022 -5.506 -5.386 47 1HB ASP 7 HB2 ASP 7 -0.742 -3.280 -5.967 48 2HB ASP 7 HB1 ASP 7 -0.001 -2.566 -4.567 49 H ASN 8 HN ASN 8 2.121 -5.879 -5.094 50 HA ASN 8 HA ASN 8 2.910 -6.296 -2.323 51 1HB ASN 8 HB2 ASN 8 4.300 -6.880 -4.962 52 2HB ASN 8 HB1 ASN 8 4.994 -7.279 -3.384 53 1HD2 ASN 8 HD21 ASN 8 4.245 -9.016 -5.610 54 2HD2 ASN 8 HD22 ASN 8 3.110 -10.128 -4.931 55 H CYS 9 HN CYS 9 4.081 -5.098 -1.155 56 HA CYS 9 HA CYS 9 6.172 -3.404 -1.934 57 1HB CYS 9 HB2 CYS 9 5.094 -1.185 -1.559 58 2HB CYS 9 HB1 CYS 9 4.493 -1.990 -2.984 59 H VAL 10 HN VAL 10 7.199 -2.527 -0.282 60 HA VAL 10 HA VAL 10 6.597 -3.600 2.362 61 HB VAL 10 HB VAL 10 8.715 -2.501 3.050 62 1HG1 VAL 10 HG11 VAL 10 8.740 -4.776 2.148 63 2HG1 VAL 10 HG12 VAL 10 10.199 -3.878 1.748 64 3HG1 VAL 10 HG13 VAL 10 8.966 -4.127 0.514 65 1HG2 VAL 10 HG21 VAL 10 10.106 -1.380 1.471 66 2HG2 VAL 10 HG22 VAL 10 8.572 -0.544 1.463 67 3HG2 VAL 10 HG23 VAL 10 8.981 -1.646 0.154 68 H TYR 11 HN TYR 11 6.920 -2.140 4.234 69 HA TYR 11 HA TYR 11 4.729 -0.247 4.127 70 1HB TYR 11 HB2 TYR 11 5.034 -1.805 6.002 71 2HB TYR 11 HB1 TYR 11 6.556 -1.042 6.431 72 HD1 TYR 11 HD1 TYR 11 6.566 0.910 7.823 73 HD2 TYR 11 HD2 TYR 11 2.884 -0.460 6.150 74 HE1 TYR 11 HE1 TYR 11 5.329 2.484 9.228 75 HE2 TYR 11 HE2 TYR 11 1.654 1.124 7.542 76 HH TYR 11 HH TYR 11 2.276 2.311 9.970 77 H VAL 12 HN VAL 12 5.717 1.092 2.595 78 HA VAL 12 HA VAL 12 7.494 3.135 3.841 79 HB VAL 12 HB VAL 12 8.214 3.705 1.497 80 1HG1 VAL 12 HG11 VAL 12 8.976 1.031 2.678 81 2HG1 VAL 12 HG12 VAL 12 9.741 2.601 2.947 82 3HG1 VAL 12 HG13 VAL 12 9.836 1.836 1.366 83 1HG2 VAL 12 HG21 VAL 12 8.038 1.982 -0.199 84 2HG2 VAL 12 HG22 VAL 12 6.432 2.510 0.238 85 3HG2 VAL 12 HG23 VAL 12 7.060 0.982 0.848 86 HA PRO 13 HA PRO 13 3.434 5.026 3.048 87 1HB PRO 13 HB2 PRO 13 3.332 6.468 5.329 88 2HB PRO 13 HB1 PRO 13 2.976 4.743 5.257 89 1HG PRO 13 HG2 PRO 13 5.488 6.095 6.158 90 2HG PRO 13 HG1 PRO 13 4.623 4.720 6.869 91 1HD PRO 13 HD2 PRO 13 6.832 4.493 5.283 92 2HD PRO 13 HD1 PRO 13 5.600 3.229 5.503 93 H ALA 14 HN ALA 14 6.509 6.422 3.973 94 HA ALA 14 HA ALA 14 6.009 9.136 3.725 95 1HB ALA 14 HB1 ALA 14 8.068 8.202 4.619 96 2HB ALA 14 HB2 ALA 14 8.414 9.389 3.367 97 3HB ALA 14 HB3 ALA 14 8.559 7.654 3.019 98 H GLN 15 HN GLN 15 7.040 6.779 1.351 99 HA GLN 15 HA GLN 15 5.896 8.518 -0.773 100 1HB GLN 15 HB2 GLN 15 8.396 8.318 -0.891 101 2HB GLN 15 HB1 GLN 15 8.245 6.575 -1.002 102 1HG GLN 15 HG2 GLN 15 8.639 7.603 -3.163 103 2HG GLN 15 HG1 GLN 15 7.100 6.769 -3.156 104 1HE2 GLN 15 HE21 GLN 15 8.710 9.870 -3.209 105 2HE2 GLN 15 HE22 GLN 15 7.315 10.773 -3.679 106 H ASN 16 HN ASN 16 4.148 7.266 0.378 107 HA ASN 16 HA ASN 16 3.728 4.532 -0.126 108 1HB ASN 16 HB2 ASN 16 2.451 5.701 1.528 109 2HB ASN 16 HB1 ASN 16 1.748 6.771 0.351 110 1HD2 ASN 16 HD21 ASN 16 -0.017 6.085 -0.819 111 2HD2 ASN 16 HD22 ASN 16 -0.812 4.597 -0.476 112 HA PRO 17 HA PRO 17 3.424 5.113 -4.550 113 1HB PRO 17 HB2 PRO 17 3.796 2.548 -5.217 114 2HB PRO 17 HB1 PRO 17 5.073 3.492 -4.444 115 1HG PRO 17 HG2 PRO 17 3.148 1.573 -3.152 116 2HG PRO 17 HG1 PRO 17 4.916 1.646 -3.023 117 1HD PRO 17 HD2 PRO 17 3.283 2.744 -1.181 118 2HD PRO 17 HD1 PRO 17 4.892 3.391 -1.558 119 H CYS 18 HN CYS 18 1.233 3.615 -2.491 120 HA CYS 18 HA CYS 18 -0.422 2.382 -4.430 121 1HB CYS 18 HB2 CYS 18 -0.805 2.939 -1.512 122 2HB CYS 18 HB1 CYS 18 -1.942 2.082 -2.521 123 H CYS 19 HN CYS 19 -2.517 2.826 -4.837 124 HA CYS 19 HA CYS 19 -2.993 5.476 -5.738 125 1HB CYS 19 HB2 CYS 19 -5.093 3.334 -5.235 126 2HB CYS 19 HB1 CYS 19 -5.158 4.677 -6.383 127 H ARG 20 HN ARG 20 -4.520 6.947 -5.057 128 HA ARG 20 HA ARG 20 -4.177 7.602 -2.327 129 1HB ARG 20 HB2 ARG 20 -4.536 9.188 -4.222 130 2HB ARG 20 HB1 ARG 20 -6.252 8.773 -4.230 131 1HG ARG 20 HG2 ARG 20 -6.480 9.627 -1.937 132 2HG ARG 20 HG1 ARG 20 -4.742 9.960 -1.870 133 1HD ARG 20 HD2 ARG 20 -5.824 11.987 -2.292 134 2HD ARG 20 HD1 ARG 20 -5.062 11.505 -3.808 135 HE ARG 20 HE ARG 20 -7.912 10.831 -3.379 136 1HH1 ARG 20 HH11 ARG 20 -5.536 12.842 -5.036 137 2HH1 ARG 20 HH12 ARG 20 -6.710 13.528 -6.077 138 1HH2 ARG 20 HH21 ARG 20 -9.420 11.767 -4.782 139 2HH2 ARG 20 HH22 ARG 20 -8.906 12.936 -5.952 140 H GLY 21 HN GLY 21 -4.952 6.381 -0.840 141 1HA GLY 21 HA2 GLY 21 -7.048 6.065 0.448 142 2HA GLY 21 HA1 GLY 21 -7.775 5.393 -1.004 143 H LEU 22 HN LEU 22 -4.658 4.470 -1.134 144 HA LEU 22 HA LEU 22 -5.073 1.977 0.446 145 1HB LEU 22 HB2 LEU 22 -3.641 2.289 -2.198 146 2HB LEU 22 HB1 LEU 22 -3.903 0.787 -1.326 147 HG LEU 22 HG LEU 22 -6.065 2.500 -2.565 148 1HD1 LEU 22 HD11 LEU 22 -4.579 1.504 -4.258 149 2HD1 LEU 22 HD12 LEU 22 -6.196 0.821 -4.277 150 3HD1 LEU 22 HD13 LEU 22 -4.881 -0.076 -3.550 151 1HD2 LEU 22 HD21 LEU 22 -6.976 1.243 -0.742 152 2HD2 LEU 22 HD22 LEU 22 -6.111 -0.224 -1.235 153 3HD2 LEU 22 HD23 LEU 22 -7.408 0.424 -2.233 154 H GLN 23 HN GLN 23 -3.280 1.067 1.334 155 HA GLN 23 HA GLN 23 -0.848 2.733 1.457 156 1HB GLN 23 HB2 GLN 23 -2.226 3.465 3.256 157 2HB GLN 23 HB1 GLN 23 -2.462 1.834 3.869 158 1HG GLN 23 HG2 GLN 23 0.006 1.756 4.343 159 2HG GLN 23 HG1 GLN 23 0.136 3.421 3.755 160 1HE2 GLN 23 HE21 GLN 23 0.929 4.130 5.748 161 2HE2 GLN 23 HE22 GLN 23 -0.108 4.251 7.122 162 H CYS 24 HN CYS 24 0.932 1.689 1.537 163 HA CYS 24 HA CYS 24 0.982 -1.147 1.216 164 1HB CYS 24 HB2 CYS 24 3.149 0.897 1.509 165 2HB CYS 24 HB1 CYS 24 3.482 -0.830 1.358 166 H ARG 25 HN ARG 25 0.643 -2.500 2.718 167 HA ARG 25 HA ARG 25 1.706 -2.077 5.415 168 1HB ARG 25 HB2 ARG 25 -0.560 -3.090 5.099 169 2HB ARG 25 HB1 ARG 25 0.150 -4.420 4.221 170 1HG ARG 25 HG2 ARG 25 -0.313 -5.112 6.442 171 2HG ARG 25 HG1 ARG 25 1.430 -5.092 6.254 172 1HD ARG 25 HD2 ARG 25 1.360 -2.751 7.309 173 2HD ARG 25 HD1 ARG 25 -0.347 -3.093 7.650 174 HE ARG 25 HE ARG 25 1.221 -5.206 8.661 175 1HH1 ARG 25 HH11 ARG 25 0.550 -1.806 9.253 176 2HH1 ARG 25 HH12 ARG 25 1.003 -1.902 10.909 177 1HH2 ARG 25 HH21 ARG 25 1.785 -5.303 10.857 178 2HH2 ARG 25 HH22 ARG 25 1.702 -3.875 11.834 179 H TYR 26 HN TYR 26 3.146 -3.546 6.337 180 HA TYR 26 HA TYR 26 5.431 -4.079 4.953 181 1HB TYR 26 HB2 TYR 26 5.317 -4.085 7.375 182 2HB TYR 26 HB1 TYR 26 4.372 -5.568 7.386 183 HD1 TYR 26 HD1 TYR 26 7.686 -4.166 6.323 184 HD2 TYR 26 HD2 TYR 26 5.496 -7.658 7.479 185 HE1 TYR 26 HE1 TYR 26 9.763 -5.457 6.382 186 HE2 TYR 26 HE2 TYR 26 7.581 -8.938 7.535 187 HH TYR 26 HH TYR 26 10.492 -7.754 7.751 188 H GLY 27 HN GLY 27 5.132 -4.945 3.017 189 1HA GLY 27 HA2 GLY 27 5.693 -7.150 2.063 190 2HA GLY 27 HA1 GLY 27 4.288 -7.810 2.880 191 H LYS 28 HN LYS 28 2.458 -5.765 2.420 192 HA LYS 28 HA LYS 28 2.248 -5.298 -0.434 193 1HB LYS 28 HB2 LYS 28 0.160 -6.658 -0.693 194 2HB LYS 28 HB1 LYS 28 1.649 -7.580 -0.497 195 1HG LYS 28 HG2 LYS 28 1.107 -7.958 1.890 196 2HG LYS 28 HG1 LYS 28 -0.433 -7.096 1.653 197 1HD LYS 28 HD2 LYS 28 -1.205 -8.744 0.085 198 2HD LYS 28 HD1 LYS 28 0.373 -9.548 0.052 199 1HE LYS 28 HE2 LYS 28 -1.099 -10.832 1.387 200 2HE LYS 28 HE1 LYS 28 0.071 -10.095 2.475 201 1HZ LYS 28 HZ1 LYS 28 -2.271 -10.050 3.234 202 2HZ LYS 28 HZ2 LYS 28 -2.665 -8.989 1.983 203 3HZ LYS 28 HZ3 LYS 28 -1.562 -8.521 3.191 204 H CYS 29 HN CYS 29 0.350 -4.311 -1.039 205 HA CYS 29 HA CYS 29 -0.289 -2.182 0.780 206 1HB CYS 29 HB2 CYS 29 0.230 -1.966 -1.698 207 2HB CYS 29 HB1 CYS 29 -1.335 -2.616 -2.007 208 H LEU 30 HN LEU 30 -2.163 -1.678 1.621 209 HA LEU 30 HA LEU 30 -4.420 -3.586 1.302 210 1HB LEU 30 HB2 LEU 30 -3.334 -2.357 3.864 211 2HB LEU 30 HB1 LEU 30 -4.866 -3.230 3.747 212 HG LEU 30 HG LEU 30 -2.106 -4.394 3.303 213 1HD1 LEU 30 HD11 LEU 30 -2.621 -3.904 5.654 214 2HD1 LEU 30 HD12 LEU 30 -2.559 -5.631 5.325 215 3HD1 LEU 30 HD13 LEU 30 -4.122 -4.839 5.517 216 1HD2 LEU 30 HD21 LEU 30 -4.865 -5.632 3.078 217 2HD2 LEU 30 HD22 LEU 30 -3.378 -6.553 3.269 218 3HD2 LEU 30 HD23 LEU 30 -3.602 -5.568 1.843 219 H VAL 31 HN VAL 31 -6.387 -2.819 1.909 220 HA VAL 31 HA VAL 31 -6.885 -0.176 0.838 221 HB VAL 31 HB VAL 31 -9.287 -0.752 1.088 222 1HG1 VAL 31 HG11 VAL 31 -9.310 -2.587 -0.529 223 2HG1 VAL 31 HG12 VAL 31 -7.588 -2.853 -0.274 224 3HG1 VAL 31 HG13 VAL 31 -8.164 -1.334 -0.970 225 1HG2 VAL 31 HG21 VAL 31 -9.281 -2.158 3.068 226 2HG2 VAL 31 HG22 VAL 31 -8.218 -3.330 2.297 227 3HG2 VAL 31 HG23 VAL 31 -9.851 -3.092 1.708 228 H GLN 32 HN GLN 32 -6.831 1.542 1.925 229 HA GLN 32 HA GLN 32 -6.919 1.621 4.816 230 1HB GLN 32 HB2 GLN 32 -6.861 3.747 2.679 231 2HB GLN 32 HB1 GLN 32 -7.049 4.153 4.371 232 1HG GLN 32 HG2 GLN 32 -4.903 2.943 4.823 233 2HG GLN 32 HG1 GLN 32 -4.699 2.785 3.072 234 1HE2 GLN 32 HE21 GLN 32 -3.160 4.262 5.160 235 2HE2 GLN 32 HE22 GLN 32 -3.037 5.853 4.534 236 H VAL 33 HN VAL 33 -8.836 0.561 5.139 237 HA VAL 33 HA VAL 33 -11.356 1.946 4.587 238 HB VAL 33 HB VAL 33 -12.352 0.234 6.133 239 1HG1 VAL 33 HG11 VAL 33 -12.070 -1.647 4.615 240 2HG1 VAL 33 HG12 VAL 33 -10.701 -0.850 3.848 241 3HG1 VAL 33 HG13 VAL 33 -12.318 -0.142 3.734 242 1HG2 VAL 33 HG21 VAL 33 -10.362 -0.224 7.557 243 2HG2 VAL 33 HG22 VAL 33 -9.552 -0.946 6.166 244 3HG2 VAL 33 HG23 VAL 33 -11.010 -1.668 6.812 245 1HG HSL 34 HG1 HSL 34 -8.466 7.517 6.999 246 2HG HSL 34 HG2 HSL 34 -8.575 6.886 8.656 247 H HSL 34 HN HSL 34 -10.219 3.869 5.384 248 HA HSL 34 HA HSL 34 -10.208 4.126 8.044 249 1HB HSL 34 HB1 HSL 34 -8.091 4.887 7.765 250 2HB HSL 34 HB2 HSL 34 -8.404 5.459 6.122 Start of MODEL 24 1 1H ALA 1 HT1 ALA 1 2.003 5.278 -13.223 2 2H ALA 1 HT2 ALA 1 2.854 4.293 -12.144 3 3H ALA 1 HT3 ALA 1 2.221 5.788 -11.628 4 HA ALA 1 HA ALA 1 -0.033 5.009 -12.023 5 1HB ALA 1 HB1 ALA 1 1.291 2.362 -12.680 6 2HB ALA 1 HB2 ALA 1 0.499 3.452 -13.812 7 3HB ALA 1 HB3 ALA 1 -0.456 2.655 -12.567 8 H CYS 2 HN CYS 2 -1.178 4.283 -10.337 9 HA CYS 2 HA CYS 2 0.343 4.009 -7.881 10 1HB CYS 2 HB2 CYS 2 -1.695 4.370 -6.794 11 2HB CYS 2 HB1 CYS 2 -1.704 5.440 -8.136 12 H GLY 3 HN GLY 3 0.438 2.255 -6.620 13 1HA GLY 3 HA2 GLY 3 -0.160 -0.328 -7.477 14 2HA GLY 3 HA1 GLY 3 0.273 0.151 -5.844 15 H ILE 4 HN ILE 4 -1.630 -1.814 -6.566 16 HA ILE 4 HA ILE 4 -4.270 -0.561 -5.994 17 HB ILE 4 HB ILE 4 -5.227 -2.740 -6.777 18 1HG1 ILE 4 HG12 ILE 4 -2.366 -3.294 -7.614 19 2HG1 ILE 4 HG11 ILE 4 -3.229 -4.166 -6.345 20 1HG2 ILE 4 HG21 ILE 4 -3.497 -1.333 -8.815 21 2HG2 ILE 4 HG22 ILE 4 -5.063 -0.764 -8.220 22 3HG2 ILE 4 HG23 ILE 4 -4.968 -2.274 -9.105 23 1HD1 ILE 4 HD11 ILE 4 -4.855 -4.913 -8.059 24 2HD1 ILE 4 HD12 ILE 4 -3.199 -5.462 -8.293 25 3HD1 ILE 4 HD13 ILE 4 -3.827 -4.153 -9.285 26 H LEU 5 HN LEU 5 -5.750 -1.964 -4.956 27 HA LEU 5 HA LEU 5 -5.278 -1.905 -2.274 28 1HB LEU 5 HB2 LEU 5 -7.440 -2.919 -1.996 29 2HB LEU 5 HB1 LEU 5 -7.473 -1.771 -3.318 30 HG LEU 5 HG LEU 5 -7.159 -4.737 -3.835 31 1HD1 LEU 5 HD11 LEU 5 -9.166 -4.452 -2.492 32 2HD1 LEU 5 HD12 LEU 5 -9.505 -4.911 -4.156 33 3HD1 LEU 5 HD13 LEU 5 -9.751 -3.241 -3.647 34 1HD2 LEU 5 HD21 LEU 5 -7.877 -2.333 -5.499 35 2HD2 LEU 5 HD22 LEU 5 -8.367 -3.964 -5.957 36 3HD2 LEU 5 HD23 LEU 5 -6.670 -3.591 -5.778 37 H HIS 6 HN HIS 6 -4.184 -4.359 -4.293 38 HA HIS 6 HA HIS 6 -3.270 -5.849 -1.965 39 1HB HIS 6 HB2 HIS 6 -4.029 -8.007 -2.866 40 2HB HIS 6 HB1 HIS 6 -5.367 -6.944 -2.461 41 HD1 HIS 6 HD1 HIS 6 -3.445 -8.079 -5.547 42 HD2 HIS 6 HD2 HIS 6 -7.188 -6.662 -4.442 43 HE1 HIS 6 HE1 HIS 6 -4.821 -8.118 -7.630 44 HE2 HIS 6 HE2 HIS 6 -7.051 -7.155 -6.970 45 H ASP 7 HN ASP 7 -1.799 -4.207 -3.384 46 HA ASP 7 HA ASP 7 -0.222 -5.974 -5.181 47 1HB ASP 7 HB2 ASP 7 -0.880 -3.538 -5.750 48 2HB ASP 7 HB1 ASP 7 0.389 -3.044 -4.646 49 H ASN 8 HN ASN 8 2.253 -5.113 -4.865 50 HA ASN 8 HA ASN 8 2.925 -5.984 -2.135 51 1HB ASN 8 HB2 ASN 8 3.534 -7.576 -3.859 52 2HB ASN 8 HB1 ASN 8 4.378 -6.347 -4.791 53 1HD2 ASN 8 HD21 ASN 8 6.437 -5.644 -4.079 54 2HD2 ASN 8 HD22 ASN 8 7.301 -6.521 -2.867 55 H CYS 9 HN CYS 9 4.133 -4.780 -0.926 56 HA CYS 9 HA CYS 9 6.073 -2.912 -1.773 57 1HB CYS 9 HB2 CYS 9 4.849 -0.797 -1.135 58 2HB CYS 9 HB1 CYS 9 4.274 -1.535 -2.609 59 H VAL 10 HN VAL 10 7.105 -1.931 -0.183 60 HA VAL 10 HA VAL 10 6.751 -3.022 2.521 61 HB VAL 10 HB VAL 10 9.005 -2.880 1.500 62 1HG1 VAL 10 HG11 VAL 10 10.111 -0.844 1.095 63 2HG1 VAL 10 HG12 VAL 10 8.820 0.129 1.771 64 3HG1 VAL 10 HG13 VAL 10 8.586 -0.721 0.238 65 1HG2 VAL 10 HG21 VAL 10 10.146 -2.073 3.414 66 2HG2 VAL 10 HG22 VAL 10 8.656 -2.805 3.991 67 3HG2 VAL 10 HG23 VAL 10 8.810 -1.042 3.902 68 H TYR 11 HN TYR 11 6.625 -1.716 4.339 69 HA TYR 11 HA TYR 11 4.693 0.391 4.086 70 1HB TYR 11 HB2 TYR 11 5.040 -1.313 6.007 71 2HB TYR 11 HB1 TYR 11 6.252 -0.205 6.624 72 HD1 TYR 11 HD1 TYR 11 5.280 2.416 6.554 73 HD2 TYR 11 HD2 TYR 11 2.990 -1.142 7.113 74 HE1 TYR 11 HE1 TYR 11 3.550 3.714 7.647 75 HE2 TYR 11 HE2 TYR 11 1.206 0.175 8.126 76 HH TYR 11 HH TYR 11 1.368 2.592 9.556 77 H VAL 12 HN VAL 12 5.917 1.675 2.641 78 HA VAL 12 HA VAL 12 7.518 3.650 4.154 79 HB VAL 12 HB VAL 12 9.051 2.513 2.694 80 1HG1 VAL 12 HG11 VAL 12 7.303 1.785 0.994 81 2HG1 VAL 12 HG12 VAL 12 8.842 2.337 0.374 82 3HG1 VAL 12 HG13 VAL 12 7.451 3.398 0.292 83 1HG2 VAL 12 HG21 VAL 12 9.119 5.055 3.066 84 2HG2 VAL 12 HG22 VAL 12 8.512 5.181 1.413 85 3HG2 VAL 12 HG23 VAL 12 10.034 4.383 1.726 86 HA PRO 13 HA PRO 13 3.671 5.670 2.916 87 1HB PRO 13 HB2 PRO 13 4.049 7.822 4.606 88 2HB PRO 13 HB1 PRO 13 3.352 6.273 5.076 89 1HG PRO 13 HG2 PRO 13 6.146 7.263 5.455 90 2HG PRO 13 HG1 PRO 13 5.096 6.370 6.572 91 1HD PRO 13 HD2 PRO 13 7.060 5.203 5.198 92 2HD PRO 13 HD1 PRO 13 5.560 4.332 5.594 93 H ALA 14 HN ALA 14 6.821 7.186 3.330 94 HA ALA 14 HA ALA 14 6.412 9.583 1.973 95 1HB ALA 14 HB1 ALA 14 8.348 9.097 3.360 96 2HB ALA 14 HB2 ALA 14 8.840 9.688 1.777 97 3HB ALA 14 HB3 ALA 14 8.964 7.960 2.165 98 H GLN 15 HN GLN 15 7.146 6.378 0.842 99 HA GLN 15 HA GLN 15 6.737 7.283 -1.954 100 1HB GLN 15 HB2 GLN 15 8.775 5.382 -0.773 101 2HB GLN 15 HB1 GLN 15 8.319 5.243 -2.470 102 1HG GLN 15 HG2 GLN 15 9.503 7.708 -1.154 103 2HG GLN 15 HG1 GLN 15 10.377 6.512 -2.108 104 1HE2 GLN 15 HE21 GLN 15 10.126 6.457 -4.361 105 2HE2 GLN 15 HE22 GLN 15 9.345 7.750 -5.198 106 H ASN 16 HN ASN 16 4.668 6.676 -0.459 107 HA ASN 16 HA ASN 16 3.814 3.978 -0.764 108 1HB ASN 16 HB2 ASN 16 2.716 5.550 0.762 109 2HB ASN 16 HB1 ASN 16 2.125 6.508 -0.588 110 1HD2 ASN 16 HD21 ASN 16 0.581 5.181 1.498 111 2HD2 ASN 16 HD22 ASN 16 -0.439 4.054 0.679 112 HA PRO 17 HA PRO 17 3.658 4.487 -5.222 113 1HB PRO 17 HB2 PRO 17 3.617 1.865 -5.828 114 2HB PRO 17 HB1 PRO 17 5.050 2.662 -5.177 115 1HG PRO 17 HG2 PRO 17 3.052 0.952 -3.745 116 2HG PRO 17 HG1 PRO 17 4.822 0.962 -3.636 117 1HD PRO 17 HD2 PRO 17 3.151 2.217 -1.865 118 2HD PRO 17 HD1 PRO 17 4.841 2.634 -2.128 119 H CYS 18 HN CYS 18 1.366 3.109 -3.104 120 HA CYS 18 HA CYS 18 -0.520 2.289 -5.067 121 1HB CYS 18 HB2 CYS 18 -0.711 2.468 -2.079 122 2HB CYS 18 HB1 CYS 18 -1.951 1.816 -3.142 123 H CYS 19 HN CYS 19 -2.635 2.967 -5.199 124 HA CYS 19 HA CYS 19 -2.955 5.757 -5.516 125 1HB CYS 19 HB2 CYS 19 -4.703 3.377 -5.642 126 2HB CYS 19 HB1 CYS 19 -5.557 4.856 -5.228 127 H ARG 20 HN ARG 20 -4.111 7.229 -4.431 128 HA ARG 20 HA ARG 20 -3.454 7.248 -1.634 129 1HB ARG 20 HB2 ARG 20 -4.999 9.187 -3.386 130 2HB ARG 20 HB1 ARG 20 -4.592 9.504 -1.684 131 1HG ARG 20 HG2 ARG 20 -2.237 9.425 -2.166 132 2HG ARG 20 HG1 ARG 20 -2.539 8.925 -3.838 133 1HD ARG 20 HD2 ARG 20 -3.670 11.060 -4.249 134 2HD ARG 20 HD1 ARG 20 -3.340 11.557 -2.592 135 HE ARG 20 HE ARG 20 -0.933 11.383 -3.096 136 1HH1 ARG 20 HH11 ARG 20 -3.207 11.847 -5.758 137 2HH1 ARG 20 HH12 ARG 20 -2.028 12.589 -6.752 138 1HH2 ARG 20 HH21 ARG 20 0.588 12.348 -4.463 139 2HH2 ARG 20 HH22 ARG 20 0.119 12.882 -6.043 140 H GLY 21 HN GLY 21 -4.468 6.401 -0.124 141 1HA GLY 21 HA2 GLY 21 -6.596 6.176 1.068 142 2HA GLY 21 HA1 GLY 21 -7.364 5.713 -0.445 143 H LEU 22 HN LEU 22 -4.439 4.428 -0.771 144 HA LEU 22 HA LEU 22 -5.202 1.851 0.503 145 1HB LEU 22 HB2 LEU 22 -3.292 2.377 -1.767 146 2HB LEU 22 HB1 LEU 22 -3.808 0.796 -1.189 147 HG LEU 22 HG LEU 22 -5.534 2.867 -2.580 148 1HD1 LEU 22 HD11 LEU 22 -4.051 1.874 -4.142 149 2HD1 LEU 22 HD12 LEU 22 -5.627 1.134 -4.357 150 3HD1 LEU 22 HD13 LEU 22 -4.357 0.265 -3.510 151 1HD2 LEU 22 HD21 LEU 22 -6.857 1.569 -0.954 152 2HD2 LEU 22 HD22 LEU 22 -6.219 0.070 -1.663 153 3HD2 LEU 22 HD23 LEU 22 -7.237 1.135 -2.611 154 H GLN 23 HN GLN 23 -3.783 0.743 1.650 155 HA GLN 23 HA GLN 23 -1.508 2.336 2.724 156 1HB GLN 23 HB2 GLN 23 -3.201 2.061 4.357 157 2HB GLN 23 HB1 GLN 23 -3.349 0.344 4.059 158 1HG GLN 23 HG2 GLN 23 -1.071 -0.004 4.956 159 2HG GLN 23 HG1 GLN 23 -0.913 1.737 5.217 160 1HE2 GLN 23 HE21 GLN 23 -1.982 2.680 6.956 161 2HE2 GLN 23 HE22 GLN 23 -2.705 1.710 8.190 162 H CYS 24 HN CYS 24 0.369 1.647 2.364 163 HA CYS 24 HA CYS 24 0.901 -1.125 1.536 164 1HB CYS 24 HB2 CYS 24 2.461 1.422 1.579 165 2HB CYS 24 HB1 CYS 24 3.347 -0.103 1.575 166 H ARG 25 HN ARG 25 0.654 -2.414 3.167 167 HA ARG 25 HA ARG 25 2.075 -1.892 5.690 168 1HB ARG 25 HB2 ARG 25 0.078 -3.912 4.757 169 2HB ARG 25 HB1 ARG 25 1.088 -4.264 6.168 170 1HG ARG 25 HG2 ARG 25 0.233 -2.232 7.280 171 2HG ARG 25 HG1 ARG 25 -0.788 -1.902 5.871 172 1HD ARG 25 HD2 ARG 25 -1.925 -3.001 7.787 173 2HD ARG 25 HD1 ARG 25 -2.073 -3.826 6.253 174 HE ARG 25 HE ARG 25 0.130 -4.864 7.764 175 1HH1 ARG 25 HH11 ARG 25 -3.380 -4.897 7.722 176 2HH1 ARG 25 HH12 ARG 25 -3.459 -6.479 8.392 177 1HH2 ARG 25 HH21 ARG 25 -0.011 -6.941 8.602 178 2HH2 ARG 25 HH22 ARG 25 -1.566 -7.644 8.898 179 H TYR 26 HN TYR 26 3.211 -3.782 6.585 180 HA TYR 26 HA TYR 26 5.609 -4.008 5.168 181 1HB TYR 26 HB2 TYR 26 4.510 -5.666 7.457 182 2HB TYR 26 HB1 TYR 26 6.168 -5.812 6.862 183 HD1 TYR 26 HD1 TYR 26 7.838 -4.177 7.427 184 HD2 TYR 26 HD2 TYR 26 3.754 -3.548 8.547 185 HE1 TYR 26 HE1 TYR 26 8.512 -2.344 8.897 186 HE2 TYR 26 HE2 TYR 26 4.443 -1.720 10.015 187 HH TYR 26 HH TYR 26 6.828 -1.147 11.291 188 H GLY 27 HN GLY 27 5.232 -4.649 3.131 189 1HA GLY 27 HA2 GLY 27 5.917 -6.591 1.881 190 2HA GLY 27 HA1 GLY 27 4.806 -7.588 2.797 191 H LYS 28 HN LYS 28 2.630 -5.596 2.692 192 HA LYS 28 HA LYS 28 1.924 -5.846 -0.164 193 1HB LYS 28 HB2 LYS 28 -0.161 -6.994 0.361 194 2HB LYS 28 HB1 LYS 28 1.253 -7.925 0.852 195 1HG LYS 28 HG2 LYS 28 0.939 -7.469 3.140 196 2HG LYS 28 HG1 LYS 28 -0.293 -6.229 2.831 197 1HD LYS 28 HD2 LYS 28 -1.814 -7.926 1.942 198 2HD LYS 28 HD1 LYS 28 -0.591 -9.183 2.203 199 1HE LYS 28 HE2 LYS 28 -1.751 -7.467 4.414 200 2HE LYS 28 HE1 LYS 28 -2.358 -9.047 3.935 201 1HZ LYS 28 HZ1 LYS 28 0.322 -8.445 5.066 202 2HZ LYS 28 HZ2 LYS 28 -0.091 -9.955 4.398 203 3HZ LYS 28 HZ3 LYS 28 -0.922 -9.362 5.741 204 H CYS 29 HN CYS 29 0.413 -4.656 -0.893 205 HA CYS 29 HA CYS 29 -0.432 -2.322 0.655 206 1HB CYS 29 HB2 CYS 29 0.597 -2.092 -1.610 207 2HB CYS 29 HB1 CYS 29 -0.756 -2.891 -2.300 208 H LEU 30 HN LEU 30 -2.445 -1.993 1.220 209 HA LEU 30 HA LEU 30 -4.584 -3.660 0.132 210 1HB LEU 30 HB2 LEU 30 -5.453 -4.077 2.437 211 2HB LEU 30 HB1 LEU 30 -4.002 -4.933 1.971 212 HG LEU 30 HG LEU 30 -2.669 -3.138 3.236 213 1HD1 LEU 30 HD11 LEU 30 -4.071 -2.150 5.136 214 2HD1 LEU 30 HD12 LEU 30 -5.476 -2.426 4.110 215 3HD1 LEU 30 HD13 LEU 30 -4.163 -1.381 3.576 216 1HD2 LEU 30 HD21 LEU 30 -3.820 -4.262 5.476 217 2HD2 LEU 30 HD22 LEU 30 -2.533 -4.948 4.494 218 3HD2 LEU 30 HD23 LEU 30 -4.200 -5.432 4.220 219 H VAL 31 HN VAL 31 -6.627 -2.939 0.470 220 HA VAL 31 HA VAL 31 -6.876 -0.100 0.276 221 HB VAL 31 HB VAL 31 -8.422 -1.512 -0.940 222 1HG1 VAL 31 HG11 VAL 31 -9.659 -2.349 1.676 223 2HG1 VAL 31 HG12 VAL 31 -8.534 -3.365 0.766 224 3HG1 VAL 31 HG13 VAL 31 -10.059 -2.880 0.053 225 1HG2 VAL 31 HG21 VAL 31 -9.112 0.783 -0.159 226 2HG2 VAL 31 HG22 VAL 31 -10.035 -0.030 1.117 227 3HG2 VAL 31 HG23 VAL 31 -10.400 -0.338 -0.572 228 H GLN 32 HN GLN 32 -6.952 1.300 1.738 229 HA GLN 32 HA GLN 32 -7.250 0.470 4.542 230 1HB GLN 32 HB2 GLN 32 -5.387 1.910 3.841 231 2HB GLN 32 HB1 GLN 32 -6.507 3.168 3.353 232 1HG GLN 32 HG2 GLN 32 -7.307 3.349 5.690 233 2HG GLN 32 HG1 GLN 32 -6.163 2.084 6.163 234 1HE2 GLN 32 HE21 GLN 32 -6.423 4.865 7.060 235 2HE2 GLN 32 HE22 GLN 32 -4.881 5.572 6.733 236 H VAL 33 HN VAL 33 -8.928 0.799 5.663 237 HA VAL 33 HA VAL 33 -11.362 1.797 4.430 238 HB VAL 33 HB VAL 33 -12.461 1.158 6.552 239 1HG1 VAL 33 HG11 VAL 33 -12.117 -1.223 6.379 240 2HG1 VAL 33 HG12 VAL 33 -10.623 -0.990 5.476 241 3HG1 VAL 33 HG13 VAL 33 -12.176 -0.502 4.774 242 1HG2 VAL 33 HG21 VAL 33 -9.647 0.471 7.472 243 2HG2 VAL 33 HG22 VAL 33 -11.123 -0.076 8.244 244 3HG2 VAL 33 HG23 VAL 33 -10.760 1.635 8.203 245 1HG HSL 34 HG1 HSL 34 -12.164 7.822 3.739 246 2HG HSL 34 HG2 HSL 34 -11.336 8.389 5.205 247 H HSL 34 HN HSL 34 -12.311 3.623 4.702 248 HA HSL 34 HA HSL 34 -11.278 5.582 6.873 249 1HB HSL 34 HB1 HSL 34 -11.288 5.772 3.925 250 2HB HSL 34 HB2 HSL 34 -10.174 6.474 5.104 Start of MODEL 25 1 1H ALA 1 HT1 ALA 1 1.342 3.917 -13.753 2 2H ALA 1 HT2 ALA 1 2.467 3.329 -12.636 3 3H ALA 1 HT3 ALA 1 1.650 4.795 -12.344 4 HA ALA 1 HA ALA 1 -0.466 3.635 -12.238 5 1HB ALA 1 HB1 ALA 1 1.207 1.122 -12.537 6 2HB ALA 1 HB2 ALA 1 0.112 1.806 -13.733 7 3HB ALA 1 HB3 ALA 1 -0.539 1.179 -12.223 8 H CYS 2 HN CYS 2 -1.196 3.469 -10.271 9 HA CYS 2 HA CYS 2 0.781 3.530 -8.091 10 1HB CYS 2 HB2 CYS 2 -1.185 4.293 -6.743 11 2HB CYS 2 HB1 CYS 2 -0.718 5.344 -8.035 12 H GLY 3 HN GLY 3 0.626 2.289 -6.309 13 1HA GLY 3 HA2 GLY 3 0.082 -0.419 -6.643 14 2HA GLY 3 HA1 GLY 3 0.448 0.386 -5.126 15 H ILE 4 HN ILE 4 -1.422 -1.745 -5.746 16 HA ILE 4 HA ILE 4 -3.971 -0.549 -4.814 17 HB ILE 4 HB ILE 4 -5.152 -2.305 -6.181 18 1HG1 ILE 4 HG12 ILE 4 -2.388 -2.652 -7.409 19 2HG1 ILE 4 HG11 ILE 4 -3.299 -3.885 -6.534 20 1HG2 ILE 4 HG21 ILE 4 -4.959 0.055 -6.874 21 2HG2 ILE 4 HG22 ILE 4 -5.094 -1.063 -8.217 22 3HG2 ILE 4 HG23 ILE 4 -3.521 -0.351 -7.822 23 1HD1 ILE 4 HD11 ILE 4 -3.905 -2.698 -9.220 24 2HD1 ILE 4 HD12 ILE 4 -5.041 -3.724 -8.332 25 3HD1 ILE 4 HD13 ILE 4 -3.467 -4.352 -8.809 26 H LEU 5 HN LEU 5 -5.472 -2.294 -4.130 27 HA LEU 5 HA LEU 5 -4.451 -3.180 -1.670 28 1HB LEU 5 HB2 LEU 5 -6.657 -4.010 -1.224 29 2HB LEU 5 HB1 LEU 5 -6.739 -2.488 -2.080 30 HG LEU 5 HG LEU 5 -6.949 -4.122 -4.210 31 1HD1 LEU 5 HD11 LEU 5 -6.888 -6.239 -3.111 32 2HD1 LEU 5 HD12 LEU 5 -8.554 -5.942 -3.536 33 3HD1 LEU 5 HD13 LEU 5 -8.029 -5.714 -1.872 34 1HD2 LEU 5 HD21 LEU 5 -9.255 -3.370 -2.420 35 2HD2 LEU 5 HD22 LEU 5 -9.320 -3.780 -4.134 36 3HD2 LEU 5 HD23 LEU 5 -8.485 -2.318 -3.622 37 H HIS 6 HN HIS 6 -4.092 -4.637 -4.649 38 HA HIS 6 HA HIS 6 -3.153 -7.090 -3.320 39 1HB HIS 6 HB2 HIS 6 -3.964 -8.374 -5.363 40 2HB HIS 6 HB1 HIS 6 -5.197 -7.808 -4.254 41 HD1 HIS 6 HD1 HIS 6 -4.157 -7.610 -7.784 42 HD2 HIS 6 HD2 HIS 6 -6.809 -5.722 -5.263 43 HE1 HIS 6 HE1 HIS 6 -5.748 -6.363 -9.268 44 HE2 HIS 6 HE2 HIS 6 -7.381 -5.262 -7.701 45 H ASP 7 HN ASP 7 -1.679 -4.955 -3.743 46 HA ASP 7 HA ASP 7 0.278 -6.102 -5.664 47 1HB ASP 7 HB2 ASP 7 -0.718 -4.076 -6.680 48 2HB ASP 7 HB1 ASP 7 -0.299 -3.133 -5.257 49 H ASN 8 HN ASN 8 2.153 -6.451 -4.814 50 HA ASN 8 HA ASN 8 2.504 -6.140 -2.008 51 1HB ASN 8 HB2 ASN 8 4.309 -7.182 -4.154 52 2HB ASN 8 HB1 ASN 8 4.820 -7.097 -2.463 53 1HD2 ASN 8 HD21 ASN 8 2.726 -8.697 -4.764 54 2HD2 ASN 8 HD22 ASN 8 2.283 -9.984 -3.701 55 H CYS 9 HN CYS 9 4.211 -5.060 -0.921 56 HA CYS 9 HA CYS 9 5.405 -2.765 -2.143 57 1HB CYS 9 HB2 CYS 9 3.048 -2.006 -2.106 58 2HB CYS 9 HB1 CYS 9 2.971 -2.268 -0.368 59 H VAL 10 HN VAL 10 6.526 -1.462 -0.737 60 HA VAL 10 HA VAL 10 7.458 -2.855 1.682 61 HB VAL 10 HB VAL 10 8.587 -0.416 0.251 62 1HG1 VAL 10 HG11 VAL 10 9.353 -0.356 2.513 63 2HG1 VAL 10 HG12 VAL 10 10.647 -1.055 1.560 64 3HG1 VAL 10 HG13 VAL 10 9.633 -2.104 2.545 65 1HG2 VAL 10 HG21 VAL 10 10.269 -1.913 -0.616 66 2HG2 VAL 10 HG22 VAL 10 8.674 -2.419 -1.159 67 3HG2 VAL 10 HG23 VAL 10 9.492 -3.301 0.144 68 H TYR 11 HN TYR 11 7.681 -1.837 3.562 69 HA TYR 11 HA TYR 11 5.512 -0.186 4.427 70 1HB TYR 11 HB2 TYR 11 6.780 -0.283 6.662 71 2HB TYR 11 HB1 TYR 11 6.230 -1.795 5.960 72 HD1 TYR 11 HD1 TYR 11 9.170 0.157 6.919 73 HD2 TYR 11 HD2 TYR 11 7.834 -3.379 4.907 74 HE1 TYR 11 HE1 TYR 11 11.438 -0.760 7.004 75 HE2 TYR 11 HE2 TYR 11 10.102 -4.277 4.996 76 HH TYR 11 HH TYR 11 12.582 -3.047 5.166 77 H VAL 12 HN VAL 12 6.102 1.461 2.792 78 HA VAL 12 HA VAL 12 7.579 3.611 4.157 79 HB VAL 12 HB VAL 12 9.182 2.760 2.567 80 1HG1 VAL 12 HG11 VAL 12 7.481 1.735 0.987 81 2HG1 VAL 12 HG12 VAL 12 8.845 2.568 0.261 82 3HG1 VAL 12 HG13 VAL 12 7.279 3.352 0.300 83 1HG2 VAL 12 HG21 VAL 12 8.064 5.316 1.408 84 2HG2 VAL 12 HG22 VAL 12 9.731 4.774 1.509 85 3HG2 VAL 12 HG23 VAL 12 8.889 5.253 2.975 86 HA PRO 13 HA PRO 13 3.321 4.854 2.964 87 1HB PRO 13 HB2 PRO 13 3.572 6.368 5.496 88 2HB PRO 13 HB1 PRO 13 2.342 5.221 4.958 89 1HG PRO 13 HG2 PRO 13 4.124 4.618 6.864 90 2HG PRO 13 HG1 PRO 13 3.514 3.394 5.734 91 1HD PRO 13 HD2 PRO 13 6.132 4.877 5.716 92 2HD PRO 13 HD1 PRO 13 5.759 3.169 5.424 93 H ALA 14 HN ALA 14 6.096 6.581 4.171 94 HA ALA 14 HA ALA 14 5.484 9.206 3.848 95 1HB ALA 14 HB1 ALA 14 7.566 8.367 4.782 96 2HB ALA 14 HB2 ALA 14 7.876 9.611 3.578 97 3HB ALA 14 HB3 ALA 14 8.137 7.900 3.184 98 H GLN 15 HN GLN 15 6.573 6.929 1.411 99 HA GLN 15 HA GLN 15 5.270 8.613 -0.625 100 1HB GLN 15 HB2 GLN 15 7.707 9.081 -0.751 101 2HB GLN 15 HB1 GLN 15 8.050 7.365 -0.892 102 1HG GLN 15 HG2 GLN 15 8.144 8.597 -3.027 103 2HG GLN 15 HG1 GLN 15 7.013 7.264 -3.077 104 1HE2 GLN 15 HE21 GLN 15 7.408 10.724 -3.136 105 2HE2 GLN 15 HE22 GLN 15 5.774 11.080 -3.567 106 H ASN 16 HN ASN 16 3.887 6.889 0.358 107 HA ASN 16 HA ASN 16 4.087 4.244 -0.562 108 1HB ASN 16 HB2 ASN 16 1.548 4.183 -0.217 109 2HB ASN 16 HB1 ASN 16 2.572 4.541 1.149 110 1HD2 ASN 16 HD21 ASN 16 1.813 6.994 -1.321 111 2HD2 ASN 16 HD22 ASN 16 0.858 7.904 -0.266 112 HA PRO 17 HA PRO 17 3.555 5.027 -4.898 113 1HB PRO 17 HB2 PRO 17 3.683 2.451 -5.692 114 2HB PRO 17 HB1 PRO 17 5.081 3.293 -5.014 115 1HG PRO 17 HG2 PRO 17 3.144 1.473 -3.584 116 2HG PRO 17 HG1 PRO 17 4.919 1.407 -3.640 117 1HD PRO 17 HD2 PRO 17 3.650 2.534 -1.618 118 2HD PRO 17 HD1 PRO 17 5.183 3.203 -2.194 119 H CYS 18 HN CYS 18 1.397 3.679 -2.772 120 HA CYS 18 HA CYS 18 -0.443 2.506 -4.560 121 1HB CYS 18 HB2 CYS 18 -0.628 3.178 -1.631 122 2HB CYS 18 HB1 CYS 18 -1.795 2.262 -2.561 123 H CYS 19 HN CYS 19 -2.477 3.066 -4.944 124 HA CYS 19 HA CYS 19 -2.938 5.777 -5.685 125 1HB CYS 19 HB2 CYS 19 -5.117 3.706 -5.243 126 2HB CYS 19 HB1 CYS 19 -5.082 5.052 -6.383 127 H ARG 20 HN ARG 20 -4.181 7.303 -4.799 128 HA ARG 20 HA ARG 20 -4.079 7.645 -1.995 129 1HB ARG 20 HB2 ARG 20 -5.935 9.010 -3.980 130 2HB ARG 20 HB1 ARG 20 -5.577 9.576 -2.334 131 1HG ARG 20 HG2 ARG 20 -3.256 9.957 -2.927 132 2HG ARG 20 HG1 ARG 20 -3.523 9.305 -4.550 133 1HD ARG 20 HD2 ARG 20 -4.676 11.810 -3.342 134 2HD ARG 20 HD1 ARG 20 -3.536 11.670 -4.685 135 HE ARG 20 HE ARG 20 -5.602 10.305 -5.698 136 1HH1 ARG 20 HH11 ARG 20 -5.431 13.489 -4.194 137 2HH1 ARG 20 HH12 ARG 20 -6.857 14.033 -4.979 138 1HH2 ARG 20 HH21 ARG 20 -7.490 11.047 -6.671 139 2HH2 ARG 20 HH22 ARG 20 -8.031 12.669 -6.392 140 H GLY 21 HN GLY 21 -5.053 6.571 -0.556 141 1HA GLY 21 HA2 GLY 21 -7.275 6.065 0.412 142 2HA GLY 21 HA1 GLY 21 -7.723 5.345 -1.127 143 H LEU 22 HN LEU 22 -4.782 4.429 -1.257 144 HA LEU 22 HA LEU 22 -5.164 1.939 0.314 145 1HB LEU 22 HB2 LEU 22 -3.440 2.659 -2.048 146 2HB LEU 22 HB1 LEU 22 -3.251 1.163 -1.176 147 HG LEU 22 HG LEU 22 -4.462 0.794 -3.210 148 1HD1 LEU 22 HD11 LEU 22 -5.088 -0.510 -1.193 149 2HD1 LEU 22 HD12 LEU 22 -6.370 -0.333 -2.373 150 3HD1 LEU 22 HD13 LEU 22 -6.409 0.634 -0.912 151 1HD2 LEU 22 HD21 LEU 22 -6.659 2.603 -2.247 152 2HD2 LEU 22 HD22 LEU 22 -6.432 1.870 -3.820 153 3HD2 LEU 22 HD23 LEU 22 -5.387 3.163 -3.312 154 H GLN 23 HN GLN 23 -3.272 0.985 1.218 155 HA GLN 23 HA GLN 23 -1.054 2.777 1.913 156 1HB GLN 23 HB2 GLN 23 -2.705 3.209 3.664 157 2HB GLN 23 HB1 GLN 23 -2.868 1.481 4.000 158 1HG GLN 23 HG2 GLN 23 -0.428 1.465 4.674 159 2HG GLN 23 HG1 GLN 23 -0.407 3.216 4.427 160 1HE2 GLN 23 HE21 GLN 23 -1.452 4.543 5.931 161 2HE2 GLN 23 HE22 GLN 23 -1.969 3.912 7.454 162 H CYS 24 HN CYS 24 0.763 1.773 2.262 163 HA CYS 24 HA CYS 24 0.907 -1.028 1.527 164 1HB CYS 24 HB2 CYS 24 3.057 0.960 2.221 165 2HB CYS 24 HB1 CYS 24 3.359 -0.708 1.715 166 H ARG 25 HN ARG 25 0.630 -2.545 2.847 167 HA ARG 25 HA ARG 25 1.443 -2.319 5.667 168 1HB ARG 25 HB2 ARG 25 -0.785 -3.343 4.974 169 2HB ARG 25 HB1 ARG 25 0.095 -4.643 4.201 170 1HG ARG 25 HG2 ARG 25 -0.639 -5.388 6.318 171 2HG ARG 25 HG1 ARG 25 1.104 -5.249 6.418 172 1HD ARG 25 HD2 ARG 25 0.898 -3.142 7.598 173 2HD ARG 25 HD1 ARG 25 -0.849 -3.127 7.382 174 HE ARG 25 HE ARG 25 0.768 -4.838 9.167 175 1HH1 ARG 25 HH11 ARG 25 -2.414 -3.861 8.012 176 2HH1 ARG 25 HH12 ARG 25 -3.218 -4.487 9.388 177 1HH2 ARG 25 HH21 ARG 25 -0.351 -5.676 10.981 178 2HH2 ARG 25 HH22 ARG 25 -2.075 -5.525 11.074 179 H TYR 26 HN TYR 26 2.756 -3.951 6.546 180 HA TYR 26 HA TYR 26 5.194 -4.292 5.245 181 1HB TYR 26 HB2 TYR 26 4.000 -5.744 7.621 182 2HB TYR 26 HB1 TYR 26 5.666 -5.993 7.080 183 HD1 TYR 26 HD1 TYR 26 3.302 -3.262 8.123 184 HD2 TYR 26 HD2 TYR 26 7.347 -4.653 7.985 185 HE1 TYR 26 HE1 TYR 26 4.005 -1.350 9.458 186 HE2 TYR 26 HE2 TYR 26 8.053 -2.686 9.255 187 HH TYR 26 HH TYR 26 6.209 -1.032 11.136 188 H GLY 27 HN GLY 27 4.956 -5.064 3.289 189 1HA GLY 27 HA2 GLY 27 5.525 -7.286 2.309 190 2HA GLY 27 HA1 GLY 27 4.012 -7.881 2.971 191 H LYS 28 HN LYS 28 2.366 -5.678 2.444 192 HA LYS 28 HA LYS 28 2.406 -5.134 -0.371 193 1HB LYS 28 HB2 LYS 28 0.423 -6.417 -0.980 194 2HB LYS 28 HB1 LYS 28 1.731 -7.468 -0.444 195 1HG LYS 28 HG2 LYS 28 0.726 -7.769 1.718 196 2HG LYS 28 HG1 LYS 28 -0.563 -6.602 1.345 197 1HD LYS 28 HD2 LYS 28 -1.375 -8.049 -0.457 198 2HD LYS 28 HD1 LYS 28 -0.086 -9.219 -0.114 199 1HE LYS 28 HE2 LYS 28 -2.257 -8.392 1.827 200 2HE LYS 28 HE1 LYS 28 -2.234 -9.855 0.852 201 1HZ LYS 28 HZ1 LYS 28 -0.420 -9.145 3.087 202 2HZ LYS 28 HZ2 LYS 28 -0.042 -10.388 1.989 203 3HZ LYS 28 HZ3 LYS 28 -1.442 -10.476 2.925 204 H CYS 29 HN CYS 29 0.478 -4.211 -1.185 205 HA CYS 29 HA CYS 29 -0.284 -2.079 0.631 206 1HB CYS 29 HB2 CYS 29 0.524 -1.741 -1.708 207 2HB CYS 29 HB1 CYS 29 -0.971 -2.420 -2.288 208 H LEU 30 HN LEU 30 -2.142 -1.783 1.499 209 HA LEU 30 HA LEU 30 -4.473 -3.445 0.680 210 1HB LEU 30 HB2 LEU 30 -3.532 -2.816 3.502 211 2HB LEU 30 HB1 LEU 30 -5.054 -3.611 3.099 212 HG LEU 30 HG LEU 30 -2.290 -4.736 2.566 213 1HD1 LEU 30 HD11 LEU 30 -2.857 -4.659 4.954 214 2HD1 LEU 30 HD12 LEU 30 -2.822 -6.300 4.322 215 3HD1 LEU 30 HD13 LEU 30 -4.373 -5.516 4.619 216 1HD2 LEU 30 HD21 LEU 30 -3.599 -6.818 2.114 217 2HD2 LEU 30 HD22 LEU 30 -3.793 -5.587 0.890 218 3HD2 LEU 30 HD23 LEU 30 -5.069 -5.856 2.084 219 H VAL 31 HN VAL 31 -6.424 -2.626 1.810 220 HA VAL 31 HA VAL 31 -6.728 0.162 1.020 221 HB VAL 31 HB VAL 31 -9.149 -0.210 1.463 222 1HG1 VAL 31 HG11 VAL 31 -7.946 -2.357 -0.257 223 2HG1 VAL 31 HG12 VAL 31 -8.154 -0.678 -0.758 224 3HG1 VAL 31 HG13 VAL 31 -9.551 -1.669 -0.377 225 1HG2 VAL 31 HG21 VAL 31 -8.298 -3.044 2.160 226 2HG2 VAL 31 HG22 VAL 31 -9.938 -2.468 1.939 227 3HG2 VAL 31 HG23 VAL 31 -8.993 -1.869 3.281 228 H GLN 32 HN GLN 32 -7.323 1.794 2.212 229 HA GLN 32 HA GLN 32 -6.720 1.720 5.074 230 1HB GLN 32 HB2 GLN 32 -7.711 3.938 3.241 231 2HB GLN 32 HB1 GLN 32 -7.313 4.149 4.960 232 1HG GLN 32 HG2 GLN 32 -4.987 3.543 4.504 233 2HG GLN 32 HG1 GLN 32 -5.376 3.300 2.797 234 1HE2 GLN 32 HE21 GLN 32 -3.928 4.931 2.131 235 2HE2 GLN 32 HE22 GLN 32 -4.268 6.580 2.380 236 H VAL 33 HN VAL 33 -8.177 0.482 6.002 237 HA VAL 33 HA VAL 33 -11.039 0.776 5.515 238 HB VAL 33 HB VAL 33 -9.663 -0.786 7.736 239 1HG1 VAL 33 HG11 VAL 33 -12.001 -0.504 8.211 240 2HG1 VAL 33 HG12 VAL 33 -11.770 -2.126 7.588 241 3HG1 VAL 33 HG13 VAL 33 -12.450 -0.886 6.541 242 1HG2 VAL 33 HG21 VAL 33 -9.852 -2.731 6.307 243 2HG2 VAL 33 HG22 VAL 33 -8.802 -1.531 5.570 244 3HG2 VAL 33 HG23 VAL 33 -10.458 -1.747 4.977 245 1HG HSL 34 HG1 HSL 34 -12.028 7.159 6.689 246 2HG HSL 34 HG2 HSL 34 -11.436 7.025 8.358 247 H HSL 34 HN HSL 34 -11.027 3.014 5.897 248 HA HSL 34 HA HSL 34 -10.901 3.805 8.450 249 1HB HSL 34 HB1 HSL 34 -10.755 5.451 6.002 250 2HB HSL 34 HB2 HSL 34 -9.895 5.619 7.536
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