NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
587667 | 2mld | 19813 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H1 VAL 1 -4.540 -9.336 -4.352 2 H2 VAL 1 H2 VAL 1 -6.009 -9.062 -3.562 3 H3 VAL 1 H3 VAL 1 -4.603 -9.335 -2.663 4 HA VAL 1 HA VAL 1 -5.103 -7.016 -4.429 5 HB VAL 1 HB VAL 1 -4.906 -5.754 -2.198 6 HG11 VAL 1 HG11 VAL 1 -7.275 -5.861 -1.823 7 HG12 VAL 1 HG12 VAL 1 -7.365 -7.452 -2.581 8 HG13 VAL 1 HG13 VAL 1 -6.982 -6.034 -3.556 9 HG21 VAL 1 HG21 VAL 1 -4.121 -7.613 -0.840 10 HG22 VAL 1 HG22 VAL 1 -5.613 -8.498 -1.162 11 HG23 VAL 1 HG23 VAL 1 -5.658 -7.004 -0.224 12 H GLY 2 H GLY 2 -3.498 -5.195 -3.471 13 HA2 GLY 2 HA2 GLY 2 -1.177 -4.911 -2.751 14 HA3 GLY 2 HA3 GLY 2 -0.837 -6.462 -3.508 15 H ILE 3 H ILE 3 -0.036 -3.481 -3.922 16 HA ILE 3 HA ILE 3 -0.978 -3.170 -6.683 17 HB ILE 3 HB ILE 3 -0.534 -0.831 -6.449 18 HG12 ILE 3 HG12 ILE 3 0.675 -1.550 -3.768 19 HG13 ILE 3 HG13 ILE 3 1.559 -0.984 -5.178 20 HG21 ILE 3 HG21 ILE 3 -1.980 -0.332 -4.451 21 HG22 ILE 3 HG22 ILE 3 -1.902 -2.042 -4.053 22 HG23 ILE 3 HG23 ILE 3 -2.639 -1.522 -5.567 23 HD11 ILE 3 HD11 ILE 3 -0.450 0.568 -3.589 24 HD12 ILE 3 HD12 ILE 3 0.352 1.149 -5.044 25 HD13 ILE 3 HD13 ILE 3 1.294 0.802 -3.592 26 H ASN 4 H ASN 4 0.683 -1.689 -7.917 27 HA ASN 4 HA ASN 4 3.125 -3.317 -8.043 28 HB2 ASN 4 HB2 ASN 4 1.696 -3.301 -10.079 29 HB3 ASN 4 HB3 ASN 4 1.904 -1.556 -10.188 30 HD21 ASN 4 HD21 ASN 4 2.873 -1.686 -12.197 31 HD22 ASN 4 HD22 ASN 4 4.481 -2.280 -12.416 32 H VAL 5 H VAL 5 3.821 -1.996 -6.217 33 HA VAL 5 HA VAL 5 5.026 0.521 -7.119 34 HB VAL 5 HB VAL 5 2.892 0.568 -5.486 35 HG11 VAL 5 HG11 VAL 5 3.556 0.783 -3.183 36 HG12 VAL 5 HG12 VAL 5 5.200 0.304 -3.596 37 HG13 VAL 5 HG13 VAL 5 3.869 -0.837 -3.799 38 HG21 VAL 5 HG21 VAL 5 3.664 2.735 -4.658 39 HG22 VAL 5 HG22 VAL 5 4.036 2.534 -6.368 40 HG23 VAL 5 HG23 VAL 5 5.307 2.348 -5.163 41 H ASP 6 H ASP 6 6.646 1.185 -5.195 42 HA ASP 6 HA ASP 6 8.053 -1.231 -4.317 43 HB2 ASP 6 HB2 ASP 6 10.209 -0.215 -4.811 44 HB3 ASP 6 HB3 ASP 6 9.233 -0.330 -6.264 45 H CYS 7 H CYS 7 7.973 -1.257 -2.228 46 HA CYS 7 HA CYS 7 7.762 1.240 -0.744 47 HB2 CYS 7 HB2 CYS 7 7.355 -0.308 1.215 48 HB3 CYS 7 HB3 CYS 7 6.144 -0.330 -0.051 49 H LYS 8 H LYS 8 9.414 2.132 0.281 50 HA LYS 8 HA LYS 8 11.730 0.550 1.040 51 HB2 LYS 8 HB2 LYS 8 10.996 3.400 1.763 52 HB3 LYS 8 HB3 LYS 8 12.562 2.644 2.017 53 HG2 LYS 8 HG2 LYS 8 12.918 2.484 -0.363 54 HG3 LYS 8 HG3 LYS 8 11.293 3.105 -0.666 55 HD2 LYS 8 HD2 LYS 8 13.474 4.625 0.764 56 HD3 LYS 8 HD3 LYS 8 13.072 4.817 -0.942 57 HE2 LYS 8 HE2 LYS 8 10.792 5.485 -0.312 58 HE3 LYS 8 HE3 LYS 8 11.226 5.330 1.388 59 HZ1 LYS 8 HZ1 LYS 8 11.334 7.618 0.685 60 HZ2 LYS 8 HZ2 LYS 8 12.422 7.232 -0.550 61 HZ3 LYS 8 HZ3 LYS 8 12.886 7.068 1.069 62 H HIS 9 H HIS 9 8.659 1.408 2.130 63 HA HIS 9 HA HIS 9 8.843 -0.083 4.538 64 HB2 HIS 9 HB2 HIS 9 8.201 1.888 6.046 65 HB3 HIS 9 HB3 HIS 9 9.892 1.748 5.588 66 HD1 HIS 9 HD1 HIS 9 10.886 3.610 4.153 67 HD2 HIS 9 HD2 HIS 9 6.832 4.095 4.941 68 HE1 HIS 9 HE1 HIS 9 10.311 5.911 3.348 69 HE2 HIS 9 HE2 HIS 9 7.905 6.263 4.020 70 H SER 10 H SER 10 6.746 0.137 5.827 71 HA SER 10 HA SER 10 4.624 -0.287 3.973 72 HB2 SER 10 HB2 SER 10 3.309 -0.551 6.189 73 HB3 SER 10 HB3 SER 10 4.607 -1.696 5.839 74 HG SER 10 HG SER 10 4.396 0.142 7.847 75 H GLY 11 H GLY 11 5.530 2.386 6.047 76 HA2 GLY 11 HA2 GLY 11 3.065 3.693 6.233 77 HA3 GLY 11 HA3 GLY 11 4.631 4.471 6.355 78 H GLN 12 H GLN 12 5.315 3.581 3.572 79 HA GLN 12 HA GLN 12 4.059 5.864 2.276 80 HB2 GLN 12 HB2 GLN 12 5.740 5.641 0.570 81 HB3 GLN 12 HB3 GLN 12 6.523 5.504 2.138 82 HG2 GLN 12 HG2 GLN 12 6.607 3.093 1.911 83 HG3 GLN 12 HG3 GLN 12 5.765 3.196 0.365 84 HE21 GLN 12 HE21 GLN 12 6.854 4.001 -1.429 85 HE22 GLN 12 HE22 GLN 12 8.582 4.106 -1.476 86 H CYS 13 H CYS 13 3.139 2.795 2.691 87 HA CYS 13 HA CYS 13 2.359 2.198 -0.036 88 HB2 CYS 13 HB2 CYS 13 1.878 0.776 2.587 89 HB3 CYS 13 HB3 CYS 13 1.255 0.208 1.044 90 H LEU 14 H LEU 14 1.166 3.952 2.570 91 HA LEU 14 HA LEU 14 -1.570 3.327 2.501 92 HB2 LEU 14 HB2 LEU 14 -0.257 5.918 3.315 93 HB3 LEU 14 HB3 LEU 14 -1.881 5.414 3.734 94 HG LEU 14 HG LEU 14 0.697 4.154 4.667 95 HD11 LEU 14 HD11 LEU 14 0.153 6.249 5.769 96 HD12 LEU 14 HD12 LEU 14 -0.037 4.888 6.873 97 HD13 LEU 14 HD13 LEU 14 -1.459 5.643 6.151 98 HD21 LEU 14 HD21 LEU 14 -0.906 2.398 4.335 99 HD22 LEU 14 HD22 LEU 14 -2.158 3.324 5.166 100 HD23 LEU 14 HD23 LEU 14 -0.765 2.718 6.064 101 H LYS 15 H LYS 15 0.040 6.251 1.252 102 HA LYS 15 HA LYS 15 -2.133 7.311 -0.015 103 HB2 LYS 15 HB2 LYS 15 0.083 8.403 0.482 104 HB3 LYS 15 HB3 LYS 15 0.695 7.635 -0.977 105 HG2 LYS 15 HG2 LYS 15 -1.037 8.772 -2.281 106 HG3 LYS 15 HG3 LYS 15 -1.586 9.553 -0.800 107 HD2 LYS 15 HD2 LYS 15 0.542 10.677 -0.558 108 HD3 LYS 15 HD3 LYS 15 1.177 9.828 -1.969 109 HE2 LYS 15 HE2 LYS 15 -1.131 11.771 -1.968 110 HE3 LYS 15 HE3 LYS 15 0.508 12.122 -2.514 111 HZ1 LYS 15 HZ1 LYS 15 -0.900 11.623 -4.383 112 HZ2 LYS 15 HZ2 LYS 15 -1.350 10.139 -3.710 113 HZ3 LYS 15 HZ3 LYS 15 0.244 10.391 -4.208 114 HA PRO 16 HA PRO 16 -0.783 5.599 -4.272 115 HB2 PRO 16 HB2 PRO 16 0.844 3.411 -4.387 116 HB3 PRO 16 HB3 PRO 16 1.433 5.075 -4.456 117 HG2 PRO 16 HG2 PRO 16 1.361 3.180 -2.147 118 HG3 PRO 16 HG3 PRO 16 2.625 4.331 -2.618 119 HD2 PRO 16 HD2 PRO 16 0.868 4.844 -0.616 120 HD3 PRO 16 HD3 PRO 16 1.553 6.116 -1.642 121 H CYS 17 H CYS 17 -1.191 3.287 -1.660 122 HA CYS 17 HA CYS 17 -2.621 1.441 -3.362 123 HB2 CYS 17 HB2 CYS 17 -1.200 0.909 -1.241 124 HB3 CYS 17 HB3 CYS 17 -2.670 1.330 -0.367 125 H LYS 18 H LYS 18 -3.305 4.090 -1.243 126 HA LYS 18 HA LYS 18 -6.109 3.620 -0.985 127 HB2 LYS 18 HB2 LYS 18 -4.945 5.008 0.617 128 HB3 LYS 18 HB3 LYS 18 -4.401 6.090 -0.653 129 HG2 LYS 18 HG2 LYS 18 -6.753 6.727 -1.056 130 HG3 LYS 18 HG3 LYS 18 -7.221 5.720 0.320 131 HD2 LYS 18 HD2 LYS 18 -6.027 7.072 1.840 132 HD3 LYS 18 HD3 LYS 18 -5.162 7.895 0.541 133 HE2 LYS 18 HE2 LYS 18 -8.112 8.110 1.140 134 HE3 LYS 18 HE3 LYS 18 -6.889 9.330 1.490 135 HZ1 LYS 18 HZ1 LYS 18 -7.701 8.382 -1.204 136 HZ2 LYS 18 HZ2 LYS 18 -6.462 9.490 -0.901 137 HZ3 LYS 18 HZ3 LYS 18 -8.059 9.885 -0.519 138 H LYS 19 H LYS 19 -4.023 5.411 -3.170 139 HA LYS 19 HA LYS 19 -6.116 6.445 -4.807 140 HB2 LYS 19 HB2 LYS 19 -3.894 7.462 -4.802 141 HB3 LYS 19 HB3 LYS 19 -3.185 5.967 -5.395 142 HG2 LYS 19 HG2 LYS 19 -3.385 7.585 -7.182 143 HG3 LYS 19 HG3 LYS 19 -4.441 6.204 -7.483 144 HD2 LYS 19 HD2 LYS 19 -6.339 7.504 -6.587 145 HD3 LYS 19 HD3 LYS 19 -5.268 8.891 -6.383 146 HE2 LYS 19 HE2 LYS 19 -5.958 7.522 -8.980 147 HE3 LYS 19 HE3 LYS 19 -6.553 9.090 -8.438 148 HZ1 LYS 19 HZ1 LYS 19 -3.744 8.391 -9.100 149 HZ2 LYS 19 HZ2 LYS 19 -4.232 9.871 -8.444 150 HZ3 LYS 19 HZ3 LYS 19 -4.771 9.410 -9.975 151 H ALA 20 H ALA 20 -4.251 3.496 -4.706 152 HA ALA 20 HA ALA 20 -4.942 2.434 -7.214 153 HB1 ALA 20 HB1 ALA 20 -3.144 1.571 -5.674 154 HB2 ALA 20 HB2 ALA 20 -4.185 0.331 -6.376 155 HB3 ALA 20 HB3 ALA 20 -4.428 0.841 -4.707 156 H GLY 21 H GLY 21 -6.432 2.008 -4.013 157 HA2 GLY 21 HA2 GLY 21 -9.008 2.240 -4.439 158 HA3 GLY 21 HA3 GLY 21 -8.738 0.724 -5.283 159 H MET 22 H MET 22 -6.643 1.013 -2.665 160 HA MET 22 HA MET 22 -8.416 -0.684 -1.055 161 HB2 MET 22 HB2 MET 22 -5.398 -0.544 -1.105 162 HB3 MET 22 HB3 MET 22 -6.325 -1.506 0.037 163 HG2 MET 22 HG2 MET 22 -5.653 -3.004 -1.628 164 HG3 MET 22 HG3 MET 22 -7.349 -2.656 -1.969 165 HE1 MET 22 HE1 MET 22 -5.855 -3.137 -5.563 166 HE2 MET 22 HE2 MET 22 -7.102 -3.643 -4.424 167 HE3 MET 22 HE3 MET 22 -5.410 -4.023 -4.104 168 H ARG 23 H ARG 23 -7.492 -0.563 1.419 169 HA ARG 23 HA ARG 23 -8.106 2.228 2.056 170 HB2 ARG 23 HB2 ARG 23 -8.296 -0.279 3.735 171 HB3 ARG 23 HB3 ARG 23 -8.702 1.330 4.315 172 HG2 ARG 23 HG2 ARG 23 -10.324 1.416 2.334 173 HG3 ARG 23 HG3 ARG 23 -10.080 -0.324 2.247 174 HD2 ARG 23 HD2 ARG 23 -10.930 1.057 4.767 175 HD3 ARG 23 HD3 ARG 23 -12.082 0.478 3.571 176 HE ARG 23 HE ARG 23 -10.686 -1.732 4.006 177 HH11 ARG 23 HH11 ARG 23 -11.952 0.611 6.282 178 HH12 ARG 23 HH12 ARG 23 -12.196 -0.557 7.542 179 HH21 ARG 23 HH21 ARG 23 -10.996 -3.262 5.661 180 HH22 ARG 23 HH22 ARG 23 -11.650 -2.764 7.189 181 H PHE 24 H PHE 24 -5.960 -0.353 3.200 182 HA PHE 24 HA PHE 24 -4.192 1.716 4.342 183 HB2 PHE 24 HB2 PHE 24 -3.966 -1.143 5.164 184 HB3 PHE 24 HB3 PHE 24 -3.756 0.322 6.125 185 HD1 PHE 24 HD2 PHE 24 -5.758 1.520 6.992 186 HD2 PHE 24 HD1 PHE 24 -6.019 -2.198 4.970 187 HE1 PHE 24 HE2 PHE 24 -8.053 1.222 7.833 188 HE2 PHE 24 HE1 PHE 24 -8.307 -2.505 5.791 189 HZ PHE 24 HZ PHE 24 -9.332 -0.794 7.240 190 H GLY 25 H GLY 25 -2.044 -0.252 4.740 191 HA2 GLY 25 HA2 GLY 25 -1.347 -1.590 2.387 192 HA3 GLY 25 HA3 GLY 25 -0.693 0.038 2.281 193 H LYS 26 H LYS 26 0.456 -2.792 2.662 194 HA LYS 26 HA LYS 26 2.347 -1.972 4.762 195 HB2 LYS 26 HB2 LYS 26 0.683 -3.831 5.446 196 HB3 LYS 26 HB3 LYS 26 1.580 -4.845 4.322 197 HG2 LYS 26 HG2 LYS 26 3.645 -4.352 5.595 198 HG3 LYS 26 HG3 LYS 26 2.670 -3.467 6.766 199 HD2 LYS 26 HD2 LYS 26 2.816 -5.539 7.764 200 HD3 LYS 26 HD3 LYS 26 1.302 -5.691 6.874 201 HE2 LYS 26 HE2 LYS 26 2.582 -7.684 6.520 202 HE3 LYS 26 HE3 LYS 26 2.577 -6.760 5.020 203 HZ1 LYS 26 HZ1 LYS 26 4.783 -6.717 7.006 204 HZ2 LYS 26 HZ2 LYS 26 4.786 -5.985 5.480 205 HZ3 LYS 26 HZ3 LYS 26 4.773 -7.669 5.613 206 H CYS 27 H CYS 27 4.477 -2.716 4.436 207 HA CYS 27 HA CYS 27 5.113 -3.245 1.655 208 HB2 CYS 27 HB2 CYS 27 6.407 -1.543 2.919 209 HB3 CYS 27 HB3 CYS 27 6.966 -2.807 4.009 210 H ILE 28 H ILE 28 5.754 -5.169 0.894 211 HA ILE 28 HA ILE 28 6.185 -7.312 2.864 212 HB ILE 28 HB ILE 28 4.609 -7.437 0.286 213 HG12 ILE 28 HG12 ILE 28 3.916 -7.528 3.200 214 HG13 ILE 28 HG13 ILE 28 3.231 -6.522 1.931 215 HG21 ILE 28 HG21 ILE 28 4.368 -9.694 0.424 216 HG22 ILE 28 HG22 ILE 28 4.796 -9.765 2.135 217 HG23 ILE 28 HG23 ILE 28 6.053 -9.517 0.920 218 HD11 ILE 28 HD11 ILE 28 2.182 -8.532 0.961 219 HD12 ILE 28 HD12 ILE 28 1.630 -8.173 2.599 220 HD13 ILE 28 HD13 ILE 28 2.794 -9.470 2.325 221 H ASN 29 H ASN 29 6.371 -8.371 -0.361 222 HA ASN 29 HA ASN 29 9.267 -8.521 -0.127 223 HB2 ASN 29 HB2 ASN 29 9.041 -10.064 -2.139 224 HB3 ASN 29 HB3 ASN 29 8.326 -10.625 -0.638 225 HD21 ASN 29 HD21 ASN 29 6.913 -8.218 -2.787 226 HD22 ASN 29 HD22 ASN 29 5.571 -9.189 -3.280 227 H GLY 30 H GLY 30 8.569 -6.006 -0.525 228 HA2 GLY 30 HA2 GLY 30 9.503 -4.328 -1.901 229 HA3 GLY 30 HA3 GLY 30 9.497 -5.463 -3.244 230 H LYS 31 H LYS 31 6.606 -5.924 -1.899 231 HA LYS 31 HA LYS 31 5.321 -3.995 -3.709 232 HB2 LYS 31 HB2 LYS 31 3.497 -5.549 -3.926 233 HB3 LYS 31 HB3 LYS 31 4.990 -6.430 -4.218 234 HG2 LYS 31 HG2 LYS 31 4.926 -7.352 -1.979 235 HG3 LYS 31 HG3 LYS 31 3.481 -6.412 -1.611 236 HD2 LYS 31 HD2 LYS 31 3.660 -8.516 -3.764 237 HD3 LYS 31 HD3 LYS 31 3.014 -8.781 -2.143 238 HE2 LYS 31 HE2 LYS 31 1.249 -7.184 -2.539 239 HE3 LYS 31 HE3 LYS 31 1.936 -6.752 -4.101 240 HZ1 LYS 31 HZ1 LYS 31 1.431 -8.902 -4.950 241 HZ2 LYS 31 HZ2 LYS 31 0.026 -8.314 -4.219 242 HZ3 LYS 31 HZ3 LYS 31 0.965 -9.473 -3.429 243 H CYS 32 H CYS 32 3.417 -2.975 -3.016 244 HA CYS 32 HA CYS 32 3.074 -2.834 -0.126 245 HB2 CYS 32 HB2 CYS 32 2.233 -1.061 -2.422 246 HB3 CYS 32 HB3 CYS 32 1.463 -0.907 -0.838 247 H ASP 33 H ASP 33 2.053 -4.811 0.244 248 HA ASP 33 HA ASP 33 -0.503 -5.339 -1.033 249 HB2 ASP 33 HB2 ASP 33 0.981 -7.203 -0.461 250 HB3 ASP 33 HB3 ASP 33 0.911 -6.739 1.237 251 H CYS 34 H CYS 34 -2.492 -5.046 -0.104 252 HA CYS 34 HA CYS 34 -2.540 -3.595 2.452 253 HB2 CYS 34 HB2 CYS 34 -4.173 -2.668 0.119 254 HB3 CYS 34 HB3 CYS 34 -3.670 -1.769 1.545 255 H THR 35 H THR 35 -4.950 -3.123 3.017 256 HA THR 35 HA THR 35 -6.606 -5.418 2.231 257 HB THR 35 HB THR 35 -6.837 -3.730 4.732 258 HG1 THR 35 HG1 THR 35 -5.818 -6.368 4.319 259 HG21 THR 35 HG21 THR 35 -8.949 -4.746 3.796 260 HG22 THR 35 HG22 THR 35 -8.530 -5.243 5.441 261 HG23 THR 35 HG23 THR 35 -8.216 -6.328 4.087 262 HA PRO 36 HA PRO 36 -8.965 -2.230 0.252 263 HB2 PRO 36 HB2 PRO 36 -10.671 -3.798 -1.053 264 HB3 PRO 36 HB3 PRO 36 -8.951 -3.837 -1.443 265 HG2 PRO 36 HG2 PRO 36 -10.556 -5.727 0.229 266 HG3 PRO 36 HG3 PRO 36 -9.320 -6.083 -0.990 267 HD2 PRO 36 HD2 PRO 36 -8.869 -6.012 1.738 268 HD3 PRO 36 HD3 PRO 36 -7.615 -5.808 0.502 269 H LYS 37 H LYS 37 -11.636 -2.429 -0.263 270 HA LYS 37 HA LYS 37 -12.773 -2.045 2.383 271 HB2 LYS 37 HB2 LYS 37 -14.707 -1.040 1.232 272 HB3 LYS 37 HB3 LYS 37 -13.199 -0.253 0.806 273 HG2 LYS 37 HG2 LYS 37 -14.262 -2.396 -0.974 274 HG3 LYS 37 HG3 LYS 37 -15.003 -0.797 -1.009 275 HD2 LYS 37 HD2 LYS 37 -12.763 0.177 -1.432 276 HD3 LYS 37 HD3 LYS 37 -12.104 -1.457 -1.519 277 HE2 LYS 37 HE2 LYS 37 -13.554 -1.954 -3.410 278 HE3 LYS 37 HE3 LYS 37 -14.266 -0.344 -3.304 279 HZ1 LYS 37 HZ1 LYS 37 -12.102 0.607 -3.794 280 HZ2 LYS 37 HZ2 LYS 37 -12.578 -0.451 -5.025 281 HZ3 LYS 37 HZ3 LYS 37 -11.417 -0.937 -3.893 Start of MODEL 2 1 H1 VAL 1 H1 VAL 1 -5.119 -9.131 -2.522 2 H2 VAL 1 H2 VAL 1 -5.281 -9.184 -4.202 3 H3 VAL 1 H3 VAL 1 -6.569 -8.647 -3.249 4 HA VAL 1 HA VAL 1 -5.452 -6.807 -4.321 5 HB VAL 1 HB VAL 1 -4.831 -5.504 -2.232 6 HG11 VAL 1 HG11 VAL 1 -7.097 -5.421 -1.388 7 HG12 VAL 1 HG12 VAL 1 -7.470 -6.949 -2.183 8 HG13 VAL 1 HG13 VAL 1 -7.099 -5.520 -3.148 9 HG21 VAL 1 HG21 VAL 1 -4.006 -7.310 -0.862 10 HG22 VAL 1 HG22 VAL 1 -5.577 -8.104 -0.910 11 HG23 VAL 1 HG23 VAL 1 -5.394 -6.561 -0.078 12 H GLY 2 H GLY 2 -3.467 -5.269 -3.542 13 HA2 GLY 2 HA2 GLY 2 -1.121 -5.331 -2.873 14 HA3 GLY 2 HA3 GLY 2 -1.036 -6.934 -3.580 15 H ILE 3 H ILE 3 -0.439 -3.681 -4.082 16 HA ILE 3 HA ILE 3 -0.667 -3.880 -7.001 17 HB ILE 3 HB ILE 3 -0.698 -1.576 -7.119 18 HG12 ILE 3 HG12 ILE 3 0.797 -1.533 -4.493 19 HG13 ILE 3 HG13 ILE 3 1.438 -1.134 -6.076 20 HG21 ILE 3 HG21 ILE 3 -2.119 -0.707 -5.305 21 HG22 ILE 3 HG22 ILE 3 -1.771 -2.155 -4.360 22 HG23 ILE 3 HG23 ILE 3 -2.652 -2.285 -5.883 23 HD11 ILE 3 HD11 ILE 3 -0.480 0.421 -4.401 24 HD12 ILE 3 HD12 ILE 3 -0.249 0.755 -6.114 25 HD13 ILE 3 HD13 ILE 3 1.105 0.908 -4.992 26 H ASN 4 H ASN 4 1.193 -2.577 -8.115 27 HA ASN 4 HA ASN 4 3.729 -3.707 -7.149 28 HB2 ASN 4 HB2 ASN 4 3.133 -4.466 -9.387 29 HB3 ASN 4 HB3 ASN 4 2.914 -2.805 -9.924 30 HD21 ASN 4 HD21 ASN 4 5.247 -5.207 -8.934 31 HD22 ASN 4 HD22 ASN 4 6.629 -4.427 -9.621 32 H VAL 5 H VAL 5 4.913 -2.300 -6.064 33 HA VAL 5 HA VAL 5 5.297 0.403 -6.996 34 HB VAL 5 HB VAL 5 3.069 0.240 -5.668 35 HG11 VAL 5 HG11 VAL 5 3.274 0.466 -3.272 36 HG12 VAL 5 HG12 VAL 5 5.014 0.247 -3.378 37 HG13 VAL 5 HG13 VAL 5 3.927 -1.072 -3.818 38 HG21 VAL 5 HG21 VAL 5 3.339 2.471 -4.781 39 HG22 VAL 5 HG22 VAL 5 4.135 2.344 -6.348 40 HG23 VAL 5 HG23 VAL 5 5.089 2.326 -4.869 41 H ASP 6 H ASP 6 6.455 1.557 -4.868 42 HA ASP 6 HA ASP 6 8.511 -0.364 -4.017 43 HB2 ASP 6 HB2 ASP 6 9.049 2.445 -4.956 44 HB3 ASP 6 HB3 ASP 6 10.233 1.307 -4.337 45 H CYS 7 H CYS 7 7.918 -0.502 -1.970 46 HA CYS 7 HA CYS 7 7.546 1.923 -0.387 47 HB2 CYS 7 HB2 CYS 7 7.002 0.282 1.470 48 HB3 CYS 7 HB3 CYS 7 5.870 0.352 0.138 49 H LYS 8 H LYS 8 9.085 2.717 0.894 50 HA LYS 8 HA LYS 8 11.387 1.077 1.569 51 HB2 LYS 8 HB2 LYS 8 10.696 3.864 2.526 52 HB3 LYS 8 HB3 LYS 8 12.255 3.060 2.661 53 HG2 LYS 8 HG2 LYS 8 10.902 3.880 0.105 54 HG3 LYS 8 HG3 LYS 8 12.273 4.693 0.865 55 HD2 LYS 8 HD2 LYS 8 13.614 2.646 0.586 56 HD3 LYS 8 HD3 LYS 8 12.245 1.870 -0.209 57 HE2 LYS 8 HE2 LYS 8 12.309 3.603 -1.954 58 HE3 LYS 8 HE3 LYS 8 13.715 4.321 -1.172 59 HZ1 LYS 8 HZ1 LYS 8 14.406 2.926 -2.987 60 HZ2 LYS 8 HZ2 LYS 8 13.559 1.604 -2.362 61 HZ3 LYS 8 HZ3 LYS 8 14.900 2.216 -1.533 62 H HIS 9 H HIS 9 8.298 1.803 2.671 63 HA HIS 9 HA HIS 9 8.413 -0.115 4.727 64 HB2 HIS 9 HB2 HIS 9 7.674 1.533 6.592 65 HB3 HIS 9 HB3 HIS 9 9.390 1.348 6.257 66 HD1 HIS 9 HD1 HIS 9 10.630 3.361 5.317 67 HD2 HIS 9 HD2 HIS 9 6.574 4.036 5.908 68 HE1 HIS 9 HE1 HIS 9 10.300 5.814 4.964 69 HE2 HIS 9 HE2 HIS 9 7.905 6.240 5.627 70 H SER 10 H SER 10 6.291 -0.312 5.877 71 HA SER 10 HA SER 10 4.240 -0.391 3.980 72 HB2 SER 10 HB2 SER 10 2.787 -0.936 5.946 73 HB3 SER 10 HB3 SER 10 4.262 -1.896 5.854 74 HG SER 10 HG SER 10 3.502 -0.665 7.931 75 H GLY 11 H GLY 11 4.900 1.988 6.517 76 HA2 GLY 11 HA2 GLY 11 2.507 3.335 6.633 77 HA3 GLY 11 HA3 GLY 11 4.067 4.087 6.902 78 H GLN 12 H GLN 12 5.090 3.858 4.258 79 HA GLN 12 HA GLN 12 3.687 6.123 3.120 80 HB2 GLN 12 HB2 GLN 12 5.538 6.195 1.501 81 HB3 GLN 12 HB3 GLN 12 6.113 6.174 3.162 82 HG2 GLN 12 HG2 GLN 12 6.786 3.926 3.008 83 HG3 GLN 12 HG3 GLN 12 5.903 3.689 1.504 84 HE21 GLN 12 HE21 GLN 12 8.688 5.244 2.946 85 HE22 GLN 12 HE22 GLN 12 9.573 5.449 1.476 86 H CYS 13 H CYS 13 3.254 2.882 2.892 87 HA CYS 13 HA CYS 13 2.835 2.721 0.031 88 HB2 CYS 13 HB2 CYS 13 3.459 0.847 1.901 89 HB3 CYS 13 HB3 CYS 13 1.724 0.597 1.755 90 H LEU 14 H LEU 14 1.133 3.833 2.668 91 HA LEU 14 HA LEU 14 -1.503 3.023 2.122 92 HB2 LEU 14 HB2 LEU 14 -0.223 5.204 3.688 93 HB3 LEU 14 HB3 LEU 14 -1.931 5.313 3.371 94 HG LEU 14 HG LEU 14 -2.304 3.173 4.504 95 HD11 LEU 14 HD11 LEU 14 0.668 3.267 4.890 96 HD12 LEU 14 HD12 LEU 14 -0.261 2.027 4.051 97 HD13 LEU 14 HD13 LEU 14 -0.404 2.207 5.801 98 HD21 LEU 14 HD21 LEU 14 -0.674 5.134 6.104 99 HD22 LEU 14 HD22 LEU 14 -1.761 3.915 6.772 100 HD23 LEU 14 HD23 LEU 14 -2.406 5.235 5.796 101 H LYS 15 H LYS 15 0.352 5.842 1.076 102 HA LYS 15 HA LYS 15 -1.686 7.305 -0.087 103 HB2 LYS 15 HB2 LYS 15 0.269 8.485 0.204 104 HB3 LYS 15 HB3 LYS 15 1.278 7.185 -0.410 105 HG2 LYS 15 HG2 LYS 15 1.371 8.928 -1.989 106 HG3 LYS 15 HG3 LYS 15 0.350 7.661 -2.666 107 HD2 LYS 15 HD2 LYS 15 -1.646 8.927 -1.964 108 HD3 LYS 15 HD3 LYS 15 -0.595 10.209 -1.359 109 HE2 LYS 15 HE2 LYS 15 -0.940 9.296 -4.203 110 HE3 LYS 15 HE3 LYS 15 -1.351 10.865 -3.519 111 HZ1 LYS 15 HZ1 LYS 15 1.043 11.205 -3.091 112 HZ2 LYS 15 HZ2 LYS 15 0.683 11.052 -4.735 113 HZ3 LYS 15 HZ3 LYS 15 1.378 9.757 -3.902 114 HA PRO 16 HA PRO 16 -0.866 5.333 -4.363 115 HB2 PRO 16 HB2 PRO 16 0.636 3.097 -4.577 116 HB3 PRO 16 HB3 PRO 16 1.339 4.718 -4.657 117 HG2 PRO 16 HG2 PRO 16 1.220 2.802 -2.362 118 HG3 PRO 16 HG3 PRO 16 2.575 3.813 -2.905 119 HD2 PRO 16 HD2 PRO 16 0.990 4.498 -0.809 120 HD3 PRO 16 HD3 PRO 16 1.747 5.703 -1.869 121 H CYS 17 H CYS 17 -1.142 3.284 -1.591 122 HA CYS 17 HA CYS 17 -2.609 1.178 -2.806 123 HB2 CYS 17 HB2 CYS 17 -1.469 0.881 -0.664 124 HB3 CYS 17 HB3 CYS 17 -2.502 2.102 0.073 125 H LYS 18 H LYS 18 -3.432 4.174 -1.193 126 HA LYS 18 HA LYS 18 -6.248 3.773 -1.235 127 HB2 LYS 18 HB2 LYS 18 -5.202 5.301 0.352 128 HB3 LYS 18 HB3 LYS 18 -4.584 6.284 -0.970 129 HG2 LYS 18 HG2 LYS 18 -6.517 7.351 -0.016 130 HG3 LYS 18 HG3 LYS 18 -6.914 6.771 -1.635 131 HD2 LYS 18 HD2 LYS 18 -7.924 4.755 -0.613 132 HD3 LYS 18 HD3 LYS 18 -7.629 5.454 0.978 133 HE2 LYS 18 HE2 LYS 18 -9.054 7.344 0.438 134 HE3 LYS 18 HE3 LYS 18 -9.311 6.709 -1.186 135 HZ1 LYS 18 HZ1 LYS 18 -11.161 6.202 0.282 136 HZ2 LYS 18 HZ2 LYS 18 -10.131 5.378 1.335 137 HZ3 LYS 18 HZ3 LYS 18 -10.396 4.781 -0.224 138 H LYS 19 H LYS 19 -3.878 5.265 -3.326 139 HA LYS 19 HA LYS 19 -5.602 6.405 -5.226 140 HB2 LYS 19 HB2 LYS 19 -3.191 6.882 -5.102 141 HB3 LYS 19 HB3 LYS 19 -2.830 5.231 -5.571 142 HG2 LYS 19 HG2 LYS 19 -4.436 6.989 -7.377 143 HG3 LYS 19 HG3 LYS 19 -2.679 7.127 -7.320 144 HD2 LYS 19 HD2 LYS 19 -2.514 4.709 -7.831 145 HD3 LYS 19 HD3 LYS 19 -4.269 4.646 -7.977 146 HE2 LYS 19 HE2 LYS 19 -2.399 6.305 -9.661 147 HE3 LYS 19 HE3 LYS 19 -3.207 4.821 -10.162 148 HZ1 LYS 19 HZ1 LYS 19 -4.505 7.398 -9.473 149 HZ2 LYS 19 HZ2 LYS 19 -5.344 5.967 -9.791 150 HZ3 LYS 19 HZ3 LYS 19 -4.410 6.684 -11.003 151 H ALA 20 H ALA 20 -4.316 3.159 -4.820 152 HA ALA 20 HA ALA 20 -5.326 2.087 -7.239 153 HB1 ALA 20 HB1 ALA 20 -3.519 1.047 -5.918 154 HB2 ALA 20 HB2 ALA 20 -4.828 -0.074 -6.285 155 HB3 ALA 20 HB3 ALA 20 -4.697 0.633 -4.674 156 H GLY 21 H GLY 21 -6.567 2.123 -3.903 157 HA2 GLY 21 HA2 GLY 21 -9.086 2.733 -4.152 158 HA3 GLY 21 HA3 GLY 21 -9.147 1.167 -4.935 159 H MET 22 H MET 22 -6.881 1.149 -2.420 160 HA MET 22 HA MET 22 -8.877 -0.164 -0.711 161 HB2 MET 22 HB2 MET 22 -5.931 -0.671 -1.037 162 HB3 MET 22 HB3 MET 22 -6.834 -1.275 0.346 163 HG2 MET 22 HG2 MET 22 -6.786 -3.046 -1.175 164 HG3 MET 22 HG3 MET 22 -8.397 -2.347 -1.311 165 HE1 MET 22 HE1 MET 22 -4.851 -2.636 -2.926 166 HE2 MET 22 HE2 MET 22 -5.044 -0.884 -2.846 167 HE3 MET 22 HE3 MET 22 -5.037 -1.700 -4.409 168 H ARG 23 H ARG 23 -7.598 -0.286 1.700 169 HA ARG 23 HA ARG 23 -7.869 2.531 2.431 170 HB2 ARG 23 HB2 ARG 23 -7.925 0.029 4.122 171 HB3 ARG 23 HB3 ARG 23 -8.108 1.657 4.759 172 HG2 ARG 23 HG2 ARG 23 -10.059 1.863 3.098 173 HG3 ARG 23 HG3 ARG 23 -9.961 0.106 2.996 174 HD2 ARG 23 HD2 ARG 23 -10.252 1.604 5.588 175 HD3 ARG 23 HD3 ARG 23 -11.621 1.012 4.653 176 HE ARG 23 HE ARG 23 -9.942 -1.155 5.045 177 HH11 ARG 23 HH11 ARG 23 -11.789 1.067 7.025 178 HH12 ARG 23 HH12 ARG 23 -12.073 -0.095 8.283 179 HH21 ARG 23 HH21 ARG 23 -10.310 -2.685 6.703 180 HH22 ARG 23 HH22 ARG 23 -11.227 -2.224 8.104 181 H PHE 24 H PHE 24 -5.765 -0.175 3.397 182 HA PHE 24 HA PHE 24 -3.584 1.764 3.751 183 HB2 PHE 24 HB2 PHE 24 -3.222 -0.356 5.611 184 HB3 PHE 24 HB3 PHE 24 -3.451 1.356 5.950 185 HD1 PHE 24 HD1 PHE 24 -5.400 -1.638 5.016 186 HD2 PHE 24 HD2 PHE 24 -5.245 1.916 7.321 187 HE1 PHE 24 HE1 PHE 24 -7.544 -2.231 6.034 188 HE2 PHE 24 HE2 PHE 24 -7.400 1.338 8.361 189 HZ PHE 24 HZ PHE 24 -8.555 -0.741 7.723 190 H GLY 25 H GLY 25 -1.440 0.724 3.824 191 HA2 GLY 25 HA2 GLY 25 -1.374 -1.699 2.157 192 HA3 GLY 25 HA3 GLY 25 -0.449 -0.276 1.711 193 H LYS 26 H LYS 26 0.163 -3.141 2.593 194 HA LYS 26 HA LYS 26 2.146 -2.510 4.656 195 HB2 LYS 26 HB2 LYS 26 1.026 -5.100 3.607 196 HB3 LYS 26 HB3 LYS 26 2.543 -5.067 4.481 197 HG2 LYS 26 HG2 LYS 26 0.858 -5.649 6.029 198 HG3 LYS 26 HG3 LYS 26 1.333 -3.991 6.385 199 HD2 LYS 26 HD2 LYS 26 -0.646 -3.146 5.282 200 HD3 LYS 26 HD3 LYS 26 -1.092 -4.776 4.766 201 HE2 LYS 26 HE2 LYS 26 -1.369 -5.458 7.080 202 HE3 LYS 26 HE3 LYS 26 -0.847 -3.870 7.633 203 HZ1 LYS 26 HZ1 LYS 26 -3.257 -4.111 7.678 204 HZ2 LYS 26 HZ2 LYS 26 -3.281 -4.401 6.011 205 HZ3 LYS 26 HZ3 LYS 26 -2.783 -2.894 6.606 206 H CYS 27 H CYS 27 4.296 -3.729 4.229 207 HA CYS 27 HA CYS 27 5.071 -2.991 1.491 208 HB2 CYS 27 HB2 CYS 27 6.100 -1.692 3.364 209 HB3 CYS 27 HB3 CYS 27 6.856 -3.181 3.918 210 H ILE 28 H ILE 28 5.111 -4.749 0.260 211 HA ILE 28 HA ILE 28 6.410 -7.157 1.278 212 HB ILE 28 HB ILE 28 4.326 -6.590 -0.790 213 HG12 ILE 28 HG12 ILE 28 4.712 -8.476 1.474 214 HG13 ILE 28 HG13 ILE 28 3.478 -7.248 1.270 215 HG21 ILE 28 HG21 ILE 28 5.813 -7.790 -2.159 216 HG22 ILE 28 HG22 ILE 28 4.581 -8.937 -1.646 217 HG23 ILE 28 HG23 ILE 28 6.175 -8.956 -0.894 218 HD11 ILE 28 HD11 ILE 28 2.592 -8.614 -0.635 219 HD12 ILE 28 HD12 ILE 28 2.419 -9.332 0.968 220 HD13 ILE 28 HD13 ILE 28 3.686 -9.899 -0.121 221 H ASN 29 H ASN 29 7.841 -8.255 -0.392 222 HA ASN 29 HA ASN 29 10.091 -6.836 -0.847 223 HB2 ASN 29 HB2 ASN 29 10.759 -8.523 -2.507 224 HB3 ASN 29 HB3 ASN 29 10.002 -9.254 -1.100 225 HD21 ASN 29 HD21 ASN 29 9.729 -8.605 -4.492 226 HD22 ASN 29 HD22 ASN 29 8.371 -9.639 -4.783 227 H GLY 30 H GLY 30 7.402 -7.046 -3.147 228 HA2 GLY 30 HA2 GLY 30 8.370 -4.546 -4.302 229 HA3 GLY 30 HA3 GLY 30 8.146 -5.904 -5.394 230 H LYS 31 H LYS 31 5.974 -5.742 -2.719 231 HA LYS 31 HA LYS 31 3.896 -4.822 -4.587 232 HB2 LYS 31 HB2 LYS 31 3.707 -7.128 -2.645 233 HB3 LYS 31 HB3 LYS 31 2.350 -6.460 -3.535 234 HG2 LYS 31 HG2 LYS 31 3.374 -7.122 -5.632 235 HG3 LYS 31 HG3 LYS 31 4.778 -7.746 -4.761 236 HD2 LYS 31 HD2 LYS 31 3.374 -9.371 -3.623 237 HD3 LYS 31 HD3 LYS 31 1.945 -8.722 -4.431 238 HE2 LYS 31 HE2 LYS 31 2.840 -9.388 -6.591 239 HE3 LYS 31 HE3 LYS 31 4.310 -9.977 -5.819 240 HZ1 LYS 31 HZ1 LYS 31 2.726 -11.753 -6.333 241 HZ2 LYS 31 HZ2 LYS 31 1.590 -11.041 -5.304 242 HZ3 LYS 31 HZ3 LYS 31 3.038 -11.643 -4.676 243 H CYS 32 H CYS 32 2.269 -3.606 -3.722 244 HA CYS 32 HA CYS 32 2.530 -2.868 -0.906 245 HB2 CYS 32 HB2 CYS 32 1.998 -1.213 -2.885 246 HB3 CYS 32 HB3 CYS 32 0.363 -1.839 -2.704 247 H ASP 33 H ASP 33 1.917 -4.868 -0.021 248 HA ASP 33 HA ASP 33 -0.544 -6.111 -0.775 249 HB2 ASP 33 HB2 ASP 33 1.272 -7.435 0.148 250 HB3 ASP 33 HB3 ASP 33 1.218 -6.529 1.651 251 H CYS 34 H CYS 34 -2.240 -4.894 -0.558 252 HA CYS 34 HA CYS 34 -2.541 -3.035 1.619 253 HB2 CYS 34 HB2 CYS 34 -4.117 -3.616 -0.872 254 HB3 CYS 34 HB3 CYS 34 -4.648 -2.449 0.333 255 H THR 35 H THR 35 -4.611 -2.759 2.699 256 HA THR 35 HA THR 35 -6.244 -5.192 2.824 257 HB THR 35 HB THR 35 -5.726 -3.349 5.173 258 HG1 THR 35 HG1 THR 35 -4.874 -6.026 5.132 259 HG21 THR 35 HG21 THR 35 -7.941 -4.611 4.913 260 HG22 THR 35 HG22 THR 35 -7.057 -4.818 6.431 261 HG23 THR 35 HG23 THR 35 -6.990 -6.075 5.195 262 HA PRO 36 HA PRO 36 -9.056 -1.954 1.632 263 HB2 PRO 36 HB2 PRO 36 -11.024 -3.542 0.746 264 HB3 PRO 36 HB3 PRO 36 -9.528 -3.332 -0.152 265 HG2 PRO 36 HG2 PRO 36 -10.437 -5.626 1.491 266 HG3 PRO 36 HG3 PRO 36 -9.412 -5.608 0.049 267 HD2 PRO 36 HD2 PRO 36 -8.546 -5.802 2.718 268 HD3 PRO 36 HD3 PRO 36 -7.532 -5.492 1.302 269 H LYS 37 H LYS 37 -11.807 -2.382 1.857 270 HA LYS 37 HA LYS 37 -12.133 -1.892 4.666 271 HB2 LYS 37 HB2 LYS 37 -14.431 -1.281 4.165 272 HB3 LYS 37 HB3 LYS 37 -13.329 -0.476 3.065 273 HG2 LYS 37 HG2 LYS 37 -14.821 -2.977 2.317 274 HG3 LYS 37 HG3 LYS 37 -15.488 -1.362 2.090 275 HD2 LYS 37 HD2 LYS 37 -13.452 -0.815 0.733 276 HD3 LYS 37 HD3 LYS 37 -13.008 -2.519 0.828 277 HE2 LYS 37 HE2 LYS 37 -15.169 -3.104 -0.209 278 HE3 LYS 37 HE3 LYS 37 -15.524 -1.388 -0.382 279 HZ1 LYS 37 HZ1 LYS 37 -14.660 -2.258 -2.431 280 HZ2 LYS 37 HZ2 LYS 37 -13.283 -2.856 -1.657 281 HZ3 LYS 37 HZ3 LYS 37 -13.528 -1.188 -1.770 Start of MODEL 3 1 H1 VAL 1 H1 VAL 1 -5.292 -9.213 -3.005 2 H2 VAL 1 H2 VAL 1 -5.354 -9.065 -4.686 3 H3 VAL 1 H3 VAL 1 -6.693 -8.628 -3.752 4 HA VAL 1 HA VAL 1 -5.504 -6.692 -4.535 5 HB VAL 1 HB VAL 1 -5.049 -5.622 -2.304 6 HG11 VAL 1 HG11 VAL 1 -7.329 -5.600 -1.622 7 HG12 VAL 1 HG12 VAL 1 -7.638 -7.152 -2.397 8 HG13 VAL 1 HG13 VAL 1 -7.297 -5.727 -3.380 9 HG21 VAL 1 HG21 VAL 1 -4.209 -7.534 -1.096 10 HG22 VAL 1 HG22 VAL 1 -5.746 -8.373 -1.286 11 HG23 VAL 1 HG23 VAL 1 -5.652 -6.918 -0.294 12 H GLY 2 H GLY 2 -3.555 -5.281 -3.457 13 HA2 GLY 2 HA2 GLY 2 -1.234 -5.337 -2.850 14 HA3 GLY 2 HA3 GLY 2 -1.135 -6.950 -3.536 15 H ILE 3 H ILE 3 -0.638 -3.663 -4.075 16 HA ILE 3 HA ILE 3 -0.891 -3.848 -6.980 17 HB ILE 3 HB ILE 3 -0.849 -1.532 -7.059 18 HG12 ILE 3 HG12 ILE 3 0.651 -1.581 -4.432 19 HG13 ILE 3 HG13 ILE 3 1.306 -1.173 -6.008 20 HG21 ILE 3 HG21 ILE 3 -2.260 -0.691 -5.234 21 HG22 ILE 3 HG22 ILE 3 -1.902 -2.142 -4.298 22 HG23 ILE 3 HG23 ILE 3 -2.801 -2.266 -5.811 23 HD11 ILE 3 HD11 ILE 3 -0.514 0.415 -4.264 24 HD12 ILE 3 HD12 ILE 3 -0.392 0.746 -5.989 25 HD13 ILE 3 HD13 ILE 3 1.035 0.874 -4.961 26 H ASN 4 H ASN 4 0.963 -2.501 -8.110 27 HA ASN 4 HA ASN 4 3.511 -3.694 -7.254 28 HB2 ASN 4 HB2 ASN 4 2.817 -4.312 -9.535 29 HB3 ASN 4 HB3 ASN 4 2.710 -2.608 -9.967 30 HD21 ASN 4 HD21 ASN 4 4.852 -5.232 -9.184 31 HD22 ASN 4 HD22 ASN 4 6.300 -4.494 -9.778 32 H VAL 5 H VAL 5 4.753 -2.335 -6.149 33 HA VAL 5 HA VAL 5 5.170 0.376 -6.998 34 HB VAL 5 HB VAL 5 2.917 0.243 -5.682 35 HG11 VAL 5 HG11 VAL 5 3.135 0.468 -3.284 36 HG12 VAL 5 HG12 VAL 5 4.869 0.197 -3.398 37 HG13 VAL 5 HG13 VAL 5 3.742 -1.088 -3.835 38 HG21 VAL 5 HG21 VAL 5 3.223 2.466 -4.803 39 HG22 VAL 5 HG22 VAL 5 4.051 2.328 -6.354 40 HG23 VAL 5 HG23 VAL 5 4.973 2.283 -4.853 41 H ASP 6 H ASP 6 6.356 1.492 -4.919 42 HA ASP 6 HA ASP 6 8.227 -0.508 -3.862 43 HB2 ASP 6 HB2 ASP 6 8.995 2.167 -5.025 44 HB3 ASP 6 HB3 ASP 6 10.085 1.086 -4.173 45 H CYS 7 H CYS 7 7.869 -0.496 -1.801 46 HA CYS 7 HA CYS 7 7.109 1.947 -0.418 47 HB2 CYS 7 HB2 CYS 7 7.001 0.247 1.555 48 HB3 CYS 7 HB3 CYS 7 5.748 0.229 0.329 49 H LYS 8 H LYS 8 8.435 3.079 0.840 50 HA LYS 8 HA LYS 8 11.084 2.104 1.461 51 HB2 LYS 8 HB2 LYS 8 9.667 4.554 2.543 52 HB3 LYS 8 HB3 LYS 8 11.395 4.230 2.590 53 HG2 LYS 8 HG2 LYS 8 11.465 4.339 0.134 54 HG3 LYS 8 HG3 LYS 8 9.743 4.718 0.120 55 HD2 LYS 8 HD2 LYS 8 10.912 6.778 -0.098 56 HD3 LYS 8 HD3 LYS 8 10.274 6.719 1.545 57 HE2 LYS 8 HE2 LYS 8 12.544 7.552 1.573 58 HE3 LYS 8 HE3 LYS 8 12.477 5.972 2.350 59 HZ1 LYS 8 HZ1 LYS 8 13.323 4.972 0.325 60 HZ2 LYS 8 HZ2 LYS 8 14.380 6.171 0.869 61 HZ3 LYS 8 HZ3 LYS 8 13.362 6.480 -0.442 62 H HIS 9 H HIS 9 7.936 2.095 2.751 63 HA HIS 9 HA HIS 9 8.451 0.106 4.626 64 HB2 HIS 9 HB2 HIS 9 7.867 1.398 6.734 65 HB3 HIS 9 HB3 HIS 9 9.494 1.653 6.114 66 HD1 HIS 9 HD1 HIS 9 10.007 3.992 5.090 67 HD2 HIS 9 HD2 HIS 9 6.228 3.629 6.779 68 HE1 HIS 9 HE1 HIS 9 9.097 6.321 5.211 69 HE2 HIS 9 HE2 HIS 9 6.902 6.103 6.436 70 H SER 10 H SER 10 6.459 -0.447 5.866 71 HA SER 10 HA SER 10 4.291 -0.558 4.161 72 HB2 SER 10 HB2 SER 10 3.018 -1.171 6.322 73 HB3 SER 10 HB3 SER 10 4.390 -2.170 5.850 74 HG SER 10 HG SER 10 4.338 -1.510 8.107 75 H GLY 11 H GLY 11 4.814 1.666 6.863 76 HA2 GLY 11 HA2 GLY 11 2.335 2.874 6.985 77 HA3 GLY 11 HA3 GLY 11 3.843 3.660 7.417 78 H GLN 12 H GLN 12 4.924 3.549 4.661 79 HA GLN 12 HA GLN 12 3.432 5.884 3.759 80 HB2 GLN 12 HB2 GLN 12 5.348 6.362 2.295 81 HB3 GLN 12 HB3 GLN 12 5.789 6.244 3.987 82 HG2 GLN 12 HG2 GLN 12 7.512 5.156 2.916 83 HG3 GLN 12 HG3 GLN 12 6.470 3.833 3.426 84 HE21 GLN 12 HE21 GLN 12 7.534 5.763 0.720 85 HE22 GLN 12 HE22 GLN 12 7.034 4.657 -0.515 86 H CYS 13 H CYS 13 3.052 2.752 3.213 87 HA CYS 13 HA CYS 13 2.948 2.793 0.311 88 HB2 CYS 13 HB2 CYS 13 3.419 0.774 2.038 89 HB3 CYS 13 HB3 CYS 13 1.686 0.572 1.832 90 H LEU 14 H LEU 14 1.109 3.976 2.702 91 HA LEU 14 HA LEU 14 -1.526 3.252 2.122 92 HB2 LEU 14 HB2 LEU 14 -0.434 5.857 3.179 93 HB3 LEU 14 HB3 LEU 14 -2.109 5.368 3.250 94 HG LEU 14 HG LEU 14 0.211 4.095 4.691 95 HD11 LEU 14 HD11 LEU 14 -0.533 6.173 5.675 96 HD12 LEU 14 HD12 LEU 14 -0.995 4.812 6.698 97 HD13 LEU 14 HD13 LEU 14 -2.201 5.602 5.681 98 HD21 LEU 14 HD21 LEU 14 -1.260 2.331 4.044 99 HD22 LEU 14 HD22 LEU 14 -2.676 3.254 4.549 100 HD23 LEU 14 HD23 LEU 14 -1.530 2.670 5.755 101 H LYS 15 H LYS 15 0.321 6.083 1.069 102 HA LYS 15 HA LYS 15 -1.641 7.425 -0.249 103 HB2 LYS 15 HB2 LYS 15 0.486 8.397 0.363 104 HB3 LYS 15 HB3 LYS 15 1.323 7.358 -0.782 105 HG2 LYS 15 HG2 LYS 15 1.152 9.481 -1.783 106 HG3 LYS 15 HG3 LYS 15 -0.011 8.415 -2.567 107 HD2 LYS 15 HD2 LYS 15 -1.823 9.357 -1.276 108 HD3 LYS 15 HD3 LYS 15 -0.689 10.354 -0.365 109 HE2 LYS 15 HE2 LYS 15 -1.789 11.692 -2.050 110 HE3 LYS 15 HE3 LYS 15 -0.081 11.522 -2.446 111 HZ1 LYS 15 HZ1 LYS 15 -1.521 11.242 -4.379 112 HZ2 LYS 15 HZ2 LYS 15 -2.270 9.920 -3.640 113 HZ3 LYS 15 HZ3 LYS 15 -0.632 9.840 -4.055 114 HA PRO 16 HA PRO 16 -0.387 5.555 -4.488 115 HB2 PRO 16 HB2 PRO 16 0.982 3.226 -4.592 116 HB3 PRO 16 HB3 PRO 16 1.790 4.798 -4.520 117 HG2 PRO 16 HG2 PRO 16 1.216 2.860 -2.306 118 HG3 PRO 16 HG3 PRO 16 2.723 3.734 -2.661 119 HD2 PRO 16 HD2 PRO 16 1.007 4.580 -0.759 120 HD3 PRO 16 HD3 PRO 16 1.935 5.719 -1.754 121 H CYS 17 H CYS 17 -1.044 3.288 -1.882 122 HA CYS 17 HA CYS 17 -2.618 1.565 -3.578 123 HB2 CYS 17 HB2 CYS 17 -1.234 0.858 -1.533 124 HB3 CYS 17 HB3 CYS 17 -2.558 1.507 -0.567 125 H LYS 18 H LYS 18 -3.105 4.308 -1.546 126 HA LYS 18 HA LYS 18 -5.893 4.137 -1.153 127 HB2 LYS 18 HB2 LYS 18 -4.252 5.693 -0.034 128 HB3 LYS 18 HB3 LYS 18 -4.211 6.619 -1.525 129 HG2 LYS 18 HG2 LYS 18 -6.554 7.154 -1.295 130 HG3 LYS 18 HG3 LYS 18 -6.658 6.150 0.157 131 HD2 LYS 18 HD2 LYS 18 -4.903 7.573 1.185 132 HD3 LYS 18 HD3 LYS 18 -4.998 8.634 -0.220 133 HE2 LYS 18 HE2 LYS 18 -7.265 8.004 1.665 134 HE3 LYS 18 HE3 LYS 18 -6.322 9.493 1.652 135 HZ1 LYS 18 HZ1 LYS 18 -8.084 8.499 -0.522 136 HZ2 LYS 18 HZ2 LYS 18 -7.109 9.876 -0.631 137 HZ3 LYS 18 HZ3 LYS 18 -8.375 9.825 0.487 138 H LYS 19 H LYS 19 -3.860 5.463 -3.695 139 HA LYS 19 HA LYS 19 -5.854 6.388 -5.440 140 HB2 LYS 19 HB2 LYS 19 -3.543 6.958 -5.817 141 HB3 LYS 19 HB3 LYS 19 -3.096 5.265 -5.952 142 HG2 LYS 19 HG2 LYS 19 -4.570 5.159 -7.989 143 HG3 LYS 19 HG3 LYS 19 -4.687 6.917 -7.893 144 HD2 LYS 19 HD2 LYS 19 -2.942 6.216 -9.461 145 HD3 LYS 19 HD3 LYS 19 -2.265 7.101 -8.093 146 HE2 LYS 19 HE2 LYS 19 -1.491 5.083 -7.079 147 HE3 LYS 19 HE3 LYS 19 -2.373 4.093 -8.240 148 HZ1 LYS 19 HZ1 LYS 19 -0.928 4.841 -9.978 149 HZ2 LYS 19 HZ2 LYS 19 0.018 4.247 -8.708 150 HZ3 LYS 19 HZ3 LYS 19 -0.135 5.913 -8.936 151 H ALA 20 H ALA 20 -4.325 3.233 -5.039 152 HA ALA 20 HA ALA 20 -5.438 1.948 -7.265 153 HB1 ALA 20 HB1 ALA 20 -3.527 1.106 -5.899 154 HB2 ALA 20 HB2 ALA 20 -4.760 -0.109 -6.243 155 HB3 ALA 20 HB3 ALA 20 -4.686 0.649 -4.651 156 H GLY 21 H GLY 21 -6.574 2.262 -3.937 157 HA2 GLY 21 HA2 GLY 21 -9.072 2.687 -3.941 158 HA3 GLY 21 HA3 GLY 21 -9.167 1.173 -4.823 159 H MET 22 H MET 22 -6.757 1.303 -2.399 160 HA MET 22 HA MET 22 -8.510 -0.310 -0.673 161 HB2 MET 22 HB2 MET 22 -5.509 -0.394 -0.987 162 HB3 MET 22 HB3 MET 22 -6.390 -1.273 0.257 163 HG2 MET 22 HG2 MET 22 -6.022 -2.835 -1.436 164 HG3 MET 22 HG3 MET 22 -7.700 -2.337 -1.634 165 HE1 MET 22 HE1 MET 22 -6.314 -3.890 -3.950 166 HE2 MET 22 HE2 MET 22 -6.768 -2.909 -5.344 167 HE3 MET 22 HE3 MET 22 -7.938 -3.212 -4.061 168 H ARG 23 H ARG 23 -7.315 -0.318 1.702 169 HA ARG 23 HA ARG 23 -7.543 2.519 2.439 170 HB2 ARG 23 HB2 ARG 23 -8.087 0.003 4.012 171 HB3 ARG 23 HB3 ARG 23 -8.112 1.607 4.727 172 HG2 ARG 23 HG2 ARG 23 -9.815 2.182 2.898 173 HG3 ARG 23 HG3 ARG 23 -9.940 0.437 2.670 174 HD2 ARG 23 HD2 ARG 23 -10.315 1.762 5.337 175 HD3 ARG 23 HD3 ARG 23 -11.640 1.495 4.210 176 HE ARG 23 HE ARG 23 -10.307 -0.934 4.602 177 HH11 ARG 23 HH11 ARG 23 -12.284 1.345 6.370 178 HH12 ARG 23 HH12 ARG 23 -12.966 0.140 7.415 179 HH21 ARG 23 HH21 ARG 23 -11.199 -2.526 5.962 180 HH22 ARG 23 HH22 ARG 23 -12.342 -2.074 7.185 181 H PHE 24 H PHE 24 -5.877 -0.360 3.711 182 HA PHE 24 HA PHE 24 -3.618 1.390 4.443 183 HB2 PHE 24 HB2 PHE 24 -3.616 -1.115 5.874 184 HB3 PHE 24 HB3 PHE 24 -3.640 0.525 6.515 185 HD1 PHE 24 HD1 PHE 24 -5.830 -2.057 5.048 186 HD2 PHE 24 HD2 PHE 24 -5.541 1.279 7.648 187 HE1 PHE 24 HE1 PHE 24 -8.149 -2.419 5.737 188 HE2 PHE 24 HE2 PHE 24 -7.872 0.927 8.362 189 HZ PHE 24 HZ PHE 24 -9.183 -0.927 7.408 190 H GLY 25 H GLY 25 -1.499 0.308 4.422 191 HA2 GLY 25 HA2 GLY 25 -1.379 -1.846 2.421 192 HA3 GLY 25 HA3 GLY 25 -0.513 -0.346 2.125 193 H LYS 26 H LYS 26 0.336 -3.211 2.557 194 HA LYS 26 HA LYS 26 2.288 -2.682 4.693 195 HB2 LYS 26 HB2 LYS 26 1.343 -5.283 3.487 196 HB3 LYS 26 HB3 LYS 26 2.735 -5.164 4.551 197 HG2 LYS 26 HG2 LYS 26 1.216 -4.179 6.274 198 HG3 LYS 26 HG3 LYS 26 -0.137 -4.595 5.218 199 HD2 LYS 26 HD2 LYS 26 0.665 -6.957 5.246 200 HD3 LYS 26 HD3 LYS 26 1.873 -6.486 6.440 201 HE2 LYS 26 HE2 LYS 26 0.032 -7.436 7.615 202 HE3 LYS 26 HE3 LYS 26 0.002 -5.696 7.897 203 HZ1 LYS 26 HZ1 LYS 26 -2.201 -6.589 7.422 204 HZ2 LYS 26 HZ2 LYS 26 -1.671 -7.134 5.910 205 HZ3 LYS 26 HZ3 LYS 26 -1.725 -5.477 6.241 206 H CYS 27 H CYS 27 4.447 -3.723 4.251 207 HA CYS 27 HA CYS 27 5.211 -3.071 1.484 208 HB2 CYS 27 HB2 CYS 27 6.192 -1.652 3.300 209 HB3 CYS 27 HB3 CYS 27 6.983 -3.090 3.935 210 H ILE 28 H ILE 28 5.466 -4.852 0.284 211 HA ILE 28 HA ILE 28 6.786 -7.157 1.544 212 HB ILE 28 HB ILE 28 4.607 -7.076 -0.566 213 HG12 ILE 28 HG12 ILE 28 4.749 -7.981 2.293 214 HG13 ILE 28 HG13 ILE 28 3.656 -6.814 1.564 215 HG21 ILE 28 HG21 ILE 28 4.647 -9.505 -0.584 216 HG22 ILE 28 HG22 ILE 28 6.062 -9.505 0.472 217 HG23 ILE 28 HG23 ILE 28 6.178 -8.847 -1.162 218 HD11 ILE 28 HD11 ILE 28 2.572 -8.645 0.331 219 HD12 ILE 28 HD12 ILE 28 2.469 -8.835 2.081 220 HD13 ILE 28 HD13 ILE 28 3.626 -9.793 1.156 221 H ASN 29 H ASN 29 7.731 -8.543 -0.533 222 HA ASN 29 HA ASN 29 10.100 -7.418 -1.025 223 HB2 ASN 29 HB2 ASN 29 10.446 -8.953 -2.897 224 HB3 ASN 29 HB3 ASN 29 9.628 -9.746 -1.558 225 HD21 ASN 29 HD21 ASN 29 7.524 -10.444 -1.817 226 HD22 ASN 29 HD22 ASN 29 6.736 -10.490 -3.353 227 H GLY 30 H GLY 30 7.382 -7.035 -3.295 228 HA2 GLY 30 HA2 GLY 30 8.474 -4.431 -3.971 229 HA3 GLY 30 HA3 GLY 30 8.384 -5.579 -5.300 230 H LYS 31 H LYS 31 5.976 -5.828 -2.833 231 HA LYS 31 HA LYS 31 4.086 -4.559 -4.692 232 HB2 LYS 31 HB2 LYS 31 2.510 -6.348 -4.334 233 HB3 LYS 31 HB3 LYS 31 4.040 -7.019 -4.882 234 HG2 LYS 31 HG2 LYS 31 4.586 -7.515 -2.504 235 HG3 LYS 31 HG3 LYS 31 2.939 -7.040 -2.091 236 HD2 LYS 31 HD2 LYS 31 3.735 -9.273 -3.956 237 HD3 LYS 31 HD3 LYS 31 3.148 -9.458 -2.307 238 HE2 LYS 31 HE2 LYS 31 1.221 -9.841 -3.499 239 HE3 LYS 31 HE3 LYS 31 1.092 -8.107 -3.212 240 HZ1 LYS 31 HZ1 LYS 31 2.105 -9.385 -5.695 241 HZ2 LYS 31 HZ2 LYS 31 1.990 -7.722 -5.430 242 HZ3 LYS 31 HZ3 LYS 31 0.591 -8.662 -5.504 243 H CYS 32 H CYS 32 2.329 -3.515 -3.766 244 HA CYS 32 HA CYS 32 2.546 -3.006 -0.896 245 HB2 CYS 32 HB2 CYS 32 2.051 -1.200 -2.759 246 HB3 CYS 32 HB3 CYS 32 0.412 -1.822 -2.635 247 H ASP 33 H ASP 33 1.852 -5.042 -0.123 248 HA ASP 33 HA ASP 33 -0.720 -6.053 -0.906 249 HB2 ASP 33 HB2 ASP 33 0.871 -7.675 -0.177 250 HB3 ASP 33 HB3 ASP 33 1.154 -6.823 1.338 251 H CYS 34 H CYS 34 -2.476 -5.031 -0.400 252 HA CYS 34 HA CYS 34 -2.523 -3.429 2.059 253 HB2 CYS 34 HB2 CYS 34 -4.148 -3.093 -0.460 254 HB3 CYS 34 HB3 CYS 34 -4.122 -2.003 0.920 255 H THR 35 H THR 35 -4.731 -3.038 2.937 256 HA THR 35 HA THR 35 -6.579 -5.250 2.378 257 HB THR 35 HB THR 35 -6.283 -3.774 5.006 258 HG1 THR 35 HG1 THR 35 -4.828 -5.741 4.078 259 HG21 THR 35 HG21 THR 35 -8.589 -4.587 4.273 260 HG22 THR 35 HG22 THR 35 -8.005 -5.147 5.845 261 HG23 THR 35 HG23 THR 35 -7.938 -6.220 4.446 262 HA PRO 36 HA PRO 36 -8.884 -1.693 1.091 263 HB2 PRO 36 HB2 PRO 36 -10.846 -2.989 -0.172 264 HB3 PRO 36 HB3 PRO 36 -9.212 -2.945 -0.820 265 HG2 PRO 36 HG2 PRO 36 -10.625 -5.144 0.599 266 HG3 PRO 36 HG3 PRO 36 -9.453 -5.227 -0.725 267 HD2 PRO 36 HD2 PRO 36 -8.895 -5.636 1.982 268 HD3 PRO 36 HD3 PRO 36 -7.702 -5.327 0.713 269 H LYS 37 H LYS 37 -11.567 -1.671 0.856 270 HA LYS 37 HA LYS 37 -12.409 -1.633 3.637 271 HB2 LYS 37 HB2 LYS 37 -14.352 -0.288 2.819 272 HB3 LYS 37 HB3 LYS 37 -12.789 0.459 2.562 273 HG2 LYS 37 HG2 LYS 37 -14.158 -1.069 0.378 274 HG3 LYS 37 HG3 LYS 37 -14.549 0.616 0.710 275 HD2 LYS 37 HD2 LYS 37 -12.098 1.127 0.450 276 HD3 LYS 37 HD3 LYS 37 -11.886 -0.524 -0.123 277 HE2 LYS 37 HE2 LYS 37 -13.626 1.593 -1.366 278 HE3 LYS 37 HE3 LYS 37 -12.099 0.988 -1.999 279 HZ1 LYS 37 HZ1 LYS 37 -13.150 -1.218 -2.192 280 HZ2 LYS 37 HZ2 LYS 37 -13.907 -0.048 -3.148 281 HZ3 LYS 37 HZ3 LYS 37 -14.622 -0.545 -1.703 Start of MODEL 4 1 H1 VAL 1 H1 VAL 1 -6.346 -9.336 -3.761 2 H2 VAL 1 H2 VAL 1 -4.980 -9.718 -2.845 3 H3 VAL 1 H3 VAL 1 -4.847 -9.533 -4.516 4 HA VAL 1 HA VAL 1 -5.393 -7.214 -4.356 5 HB VAL 1 HB VAL 1 -5.354 -6.174 -2.049 6 HG11 VAL 1 HG11 VAL 1 -7.695 -6.405 -1.751 7 HG12 VAL 1 HG12 VAL 1 -7.704 -7.996 -2.514 8 HG13 VAL 1 HG13 VAL 1 -7.395 -6.555 -3.483 9 HG21 VAL 1 HG21 VAL 1 -4.456 -8.085 -0.829 10 HG22 VAL 1 HG22 VAL 1 -5.899 -9.023 -1.216 11 HG23 VAL 1 HG23 VAL 1 -6.021 -7.604 -0.175 12 H GLY 2 H GLY 2 -3.819 -5.529 -3.081 13 HA2 GLY 2 HA2 GLY 2 -1.537 -5.240 -2.341 14 HA3 GLY 2 HA3 GLY 2 -1.160 -6.799 -3.069 15 H ILE 3 H ILE 3 -0.405 -3.750 -3.469 16 HA ILE 3 HA ILE 3 -1.244 -3.510 -6.266 17 HB ILE 3 HB ILE 3 -0.984 -1.187 -6.059 18 HG12 ILE 3 HG12 ILE 3 0.520 -1.719 -3.485 19 HG13 ILE 3 HG13 ILE 3 1.243 -1.218 -5.007 20 HG21 ILE 3 HG21 ILE 3 -2.259 -0.658 -3.975 21 HG22 ILE 3 HG22 ILE 3 -2.009 -2.319 -3.454 22 HG23 ILE 3 HG23 ILE 3 -2.942 -1.982 -4.910 23 HD11 ILE 3 HD11 ILE 3 -0.613 0.356 -3.281 24 HD12 ILE 3 HD12 ILE 3 -0.075 0.874 -4.872 25 HD13 ILE 3 HD13 ILE 3 1.091 0.669 -3.565 26 H ASN 4 H ASN 4 0.344 -2.165 -7.570 27 HA ASN 4 HA ASN 4 2.944 -3.530 -7.462 28 HB2 ASN 4 HB2 ASN 4 1.630 -3.898 -9.517 29 HB3 ASN 4 HB3 ASN 4 1.543 -2.161 -9.776 30 HD21 ASN 4 HD21 ASN 4 4.408 -3.861 -8.644 31 HD22 ASN 4 HD22 ASN 4 5.350 -3.574 -10.064 32 H VAL 5 H VAL 5 4.166 -2.237 -6.188 33 HA VAL 5 HA VAL 5 4.761 0.450 -7.065 34 HB VAL 5 HB VAL 5 2.608 0.343 -5.469 35 HG11 VAL 5 HG11 VAL 5 3.130 0.665 -3.170 36 HG12 VAL 5 HG12 VAL 5 4.855 0.529 -3.493 37 HG13 VAL 5 HG13 VAL 5 3.801 -0.868 -3.712 38 HG21 VAL 5 HG21 VAL 5 3.099 2.627 -4.749 39 HG22 VAL 5 HG22 VAL 5 3.545 2.382 -6.438 40 HG23 VAL 5 HG23 VAL 5 4.792 2.412 -5.192 41 H ASP 6 H ASP 6 6.188 1.439 -5.069 42 HA ASP 6 HA ASP 6 8.018 -0.703 -4.213 43 HB2 ASP 6 HB2 ASP 6 8.820 2.030 -5.209 44 HB3 ASP 6 HB3 ASP 6 9.913 0.807 -4.579 45 H CYS 7 H CYS 7 7.866 -0.802 -2.094 46 HA CYS 7 HA CYS 7 7.395 1.618 -0.541 47 HB2 CYS 7 HB2 CYS 7 7.349 -0.061 1.402 48 HB3 CYS 7 HB3 CYS 7 6.013 -0.072 0.269 49 H LYS 8 H LYS 8 8.970 2.701 0.384 50 HA LYS 8 HA LYS 8 11.573 1.543 0.819 51 HB2 LYS 8 HB2 LYS 8 11.237 3.975 0.328 52 HB3 LYS 8 HB3 LYS 8 10.416 4.136 1.872 53 HG2 LYS 8 HG2 LYS 8 12.434 3.441 3.023 54 HG3 LYS 8 HG3 LYS 8 13.274 3.300 1.479 55 HD2 LYS 8 HD2 LYS 8 12.766 5.725 1.085 56 HD3 LYS 8 HD3 LYS 8 12.170 5.802 2.745 57 HE2 LYS 8 HE2 LYS 8 14.961 5.057 1.875 58 HE3 LYS 8 HE3 LYS 8 14.474 6.575 2.621 59 HZ1 LYS 8 HZ1 LYS 8 13.858 5.363 4.612 60 HZ2 LYS 8 HZ2 LYS 8 15.478 5.082 4.224 61 HZ3 LYS 8 HZ3 LYS 8 14.316 3.902 3.897 62 H HIS 9 H HIS 9 8.585 1.693 2.385 63 HA HIS 9 HA HIS 9 9.419 0.172 4.634 64 HB2 HIS 9 HB2 HIS 9 8.516 1.958 6.303 65 HB3 HIS 9 HB3 HIS 9 10.180 2.074 5.746 66 HD1 HIS 9 HD1 HIS 9 10.790 4.084 4.282 67 HD2 HIS 9 HD2 HIS 9 6.798 3.992 5.421 68 HE1 HIS 9 HE1 HIS 9 9.842 6.296 3.583 69 HE2 HIS 9 HE2 HIS 9 7.500 6.314 4.521 70 H SER 10 H SER 10 7.710 -0.616 5.853 71 HA SER 10 HA SER 10 5.172 -0.786 4.513 72 HB2 SER 10 HB2 SER 10 6.388 -2.581 5.917 73 HB3 SER 10 HB3 SER 10 5.779 -1.714 7.324 74 HG SER 10 HG SER 10 4.212 -3.129 6.938 75 H GLY 11 H GLY 11 4.802 1.542 4.557 76 HA2 GLY 11 HA2 GLY 11 2.971 2.344 6.540 77 HA3 GLY 11 HA3 GLY 11 4.527 3.109 6.845 78 H GLN 12 H GLN 12 5.200 3.152 3.981 79 HA GLN 12 HA GLN 12 3.781 5.603 3.334 80 HB2 GLN 12 HB2 GLN 12 5.448 6.005 1.719 81 HB3 GLN 12 HB3 GLN 12 6.295 5.266 3.071 82 HG2 GLN 12 HG2 GLN 12 6.308 3.130 1.926 83 HG3 GLN 12 HG3 GLN 12 5.404 3.826 0.581 84 HE21 GLN 12 HE21 GLN 12 6.943 3.483 -0.967 85 HE22 GLN 12 HE22 GLN 12 8.467 4.302 -0.986 86 H CYS 13 H CYS 13 2.916 2.520 2.935 87 HA CYS 13 HA CYS 13 2.453 2.436 0.099 88 HB2 CYS 13 HB2 CYS 13 1.469 0.642 2.325 89 HB3 CYS 13 HB3 CYS 13 1.220 0.340 0.615 90 H LEU 14 H LEU 14 0.975 3.937 2.661 91 HA LEU 14 HA LEU 14 -1.756 3.469 2.252 92 HB2 LEU 14 HB2 LEU 14 -0.383 5.900 3.373 93 HB3 LEU 14 HB3 LEU 14 -2.070 5.506 3.575 94 HG LEU 14 HG LEU 14 0.283 3.978 4.673 95 HD11 LEU 14 HD11 LEU 14 -0.192 6.009 5.880 96 HD12 LEU 14 HD12 LEU 14 -0.670 4.608 6.840 97 HD13 LEU 14 HD13 LEU 14 -1.894 5.567 6.007 98 HD21 LEU 14 HD21 LEU 14 -1.351 2.364 4.069 99 HD22 LEU 14 HD22 LEU 14 -2.660 3.349 4.726 100 HD23 LEU 14 HD23 LEU 14 -1.481 2.612 5.810 101 H LYS 15 H LYS 15 0.240 6.216 1.240 102 HA LYS 15 HA LYS 15 -1.677 7.676 -0.068 103 HB2 LYS 15 HB2 LYS 15 0.297 8.803 0.334 104 HB3 LYS 15 HB3 LYS 15 1.296 7.486 -0.260 105 HG2 LYS 15 HG2 LYS 15 0.588 7.998 -2.531 106 HG3 LYS 15 HG3 LYS 15 -0.353 9.362 -1.930 107 HD2 LYS 15 HD2 LYS 15 1.681 10.399 -1.068 108 HD3 LYS 15 HD3 LYS 15 2.632 9.020 -1.620 109 HE2 LYS 15 HE2 LYS 15 2.816 10.898 -3.169 110 HE3 LYS 15 HE3 LYS 15 2.031 9.515 -3.930 111 HZ1 LYS 15 HZ1 LYS 15 0.656 11.907 -2.835 112 HZ2 LYS 15 HZ2 LYS 15 -0.112 10.579 -3.540 113 HZ3 LYS 15 HZ3 LYS 15 0.891 11.564 -4.473 114 HA PRO 16 HA PRO 16 -0.698 5.519 -4.255 115 HB2 PRO 16 HB2 PRO 16 0.668 3.169 -4.216 116 HB3 PRO 16 HB3 PRO 16 1.450 4.739 -4.430 117 HG2 PRO 16 HG2 PRO 16 1.225 3.038 -1.987 118 HG3 PRO 16 HG3 PRO 16 2.598 4.001 -2.563 119 HD2 PRO 16 HD2 PRO 16 0.931 4.815 -0.570 120 HD3 PRO 16 HD3 PRO 16 1.777 5.940 -1.648 121 H CYS 17 H CYS 17 -1.312 3.649 -1.395 122 HA CYS 17 HA CYS 17 -2.774 1.539 -2.627 123 HB2 CYS 17 HB2 CYS 17 -1.758 1.510 -0.307 124 HB3 CYS 17 HB3 CYS 17 -3.083 2.550 0.204 125 H LYS 18 H LYS 18 -3.557 4.676 -1.307 126 HA LYS 18 HA LYS 18 -6.374 4.455 -1.525 127 HB2 LYS 18 HB2 LYS 18 -5.168 6.040 -0.066 128 HB3 LYS 18 HB3 LYS 18 -4.579 6.881 -1.491 129 HG2 LYS 18 HG2 LYS 18 -6.734 7.667 -2.032 130 HG3 LYS 18 HG3 LYS 18 -7.502 6.559 -0.887 131 HD2 LYS 18 HD2 LYS 18 -7.482 8.726 0.120 132 HD3 LYS 18 HD3 LYS 18 -6.270 7.732 0.936 133 HE2 LYS 18 HE2 LYS 18 -4.509 8.765 -0.392 134 HE3 LYS 18 HE3 LYS 18 -5.705 9.745 -1.236 135 HZ1 LYS 18 HZ1 LYS 18 -5.132 9.858 1.674 136 HZ2 LYS 18 HZ2 LYS 18 -6.262 10.812 0.855 137 HZ3 LYS 18 HZ3 LYS 18 -4.614 10.985 0.527 138 H LYS 19 H LYS 19 -3.788 5.423 -3.659 139 HA LYS 19 HA LYS 19 -5.388 6.384 -5.792 140 HB2 LYS 19 HB2 LYS 19 -3.036 6.920 -5.729 141 HB3 LYS 19 HB3 LYS 19 -2.599 5.218 -5.708 142 HG2 LYS 19 HG2 LYS 19 -3.498 4.976 -7.980 143 HG3 LYS 19 HG3 LYS 19 -3.876 6.699 -7.998 144 HD2 LYS 19 HD2 LYS 19 -1.545 7.266 -7.798 145 HD3 LYS 19 HD3 LYS 19 -1.111 5.570 -7.578 146 HE2 LYS 19 HE2 LYS 19 -2.355 6.744 -10.063 147 HE3 LYS 19 HE3 LYS 19 -0.644 6.376 -9.857 148 HZ1 LYS 19 HZ1 LYS 19 -1.797 4.616 -11.043 149 HZ2 LYS 19 HZ2 LYS 19 -2.856 4.398 -9.744 150 HZ3 LYS 19 HZ3 LYS 19 -1.212 4.049 -9.561 151 H ALA 20 H ALA 20 -4.068 3.228 -4.927 152 HA ALA 20 HA ALA 20 -4.954 1.821 -7.204 153 HB1 ALA 20 HB1 ALA 20 -3.225 1.041 -5.554 154 HB2 ALA 20 HB2 ALA 20 -4.438 -0.165 -5.989 155 HB3 ALA 20 HB3 ALA 20 -4.550 0.679 -4.446 156 H GLY 21 H GLY 21 -6.408 2.439 -4.047 157 HA2 GLY 21 HA2 GLY 21 -8.844 2.884 -4.145 158 HA3 GLY 21 HA3 GLY 21 -8.963 1.450 -5.148 159 H MET 22 H MET 22 -6.730 1.297 -2.559 160 HA MET 22 HA MET 22 -8.667 -0.342 -1.066 161 HB2 MET 22 HB2 MET 22 -5.683 -0.764 -1.294 162 HB3 MET 22 HB3 MET 22 -6.790 -1.751 -0.344 163 HG2 MET 22 HG2 MET 22 -7.970 -2.400 -2.368 164 HG3 MET 22 HG3 MET 22 -6.891 -1.392 -3.330 165 HE1 MET 22 HE1 MET 22 -5.652 -4.842 -4.491 166 HE2 MET 22 HE2 MET 22 -6.126 -3.210 -4.964 167 HE3 MET 22 HE3 MET 22 -7.310 -4.295 -4.234 168 H ARG 23 H ARG 23 -7.525 -0.702 1.335 169 HA ARG 23 HA ARG 23 -7.831 2.043 2.282 170 HB2 ARG 23 HB2 ARG 23 -8.100 -0.606 3.697 171 HB3 ARG 23 HB3 ARG 23 -8.259 0.945 4.507 172 HG2 ARG 23 HG2 ARG 23 -10.075 1.476 2.814 173 HG3 ARG 23 HG3 ARG 23 -10.009 -0.233 2.384 174 HD2 ARG 23 HD2 ARG 23 -10.446 0.712 5.200 175 HD3 ARG 23 HD3 ARG 23 -11.770 0.439 4.071 176 HE ARG 23 HE ARG 23 -10.236 -1.867 4.064 177 HH11 ARG 23 HH11 ARG 23 -12.159 -0.044 6.344 178 HH12 ARG 23 HH12 ARG 23 -12.571 -1.433 7.298 179 HH21 ARG 23 HH21 ARG 23 -10.763 -3.687 5.317 180 HH22 ARG 23 HH22 ARG 23 -11.762 -3.504 6.724 181 H PHE 24 H PHE 24 -5.994 -0.696 3.598 182 HA PHE 24 HA PHE 24 -3.894 1.222 4.365 183 HB2 PHE 24 HB2 PHE 24 -3.741 -1.332 5.723 184 HB3 PHE 24 HB3 PHE 24 -3.870 0.284 6.415 185 HD1 PHE 24 HD1 PHE 24 -5.826 -2.409 4.879 186 HD2 PHE 24 HD2 PHE 24 -5.863 0.921 7.494 187 HE1 PHE 24 HE1 PHE 24 -8.123 -2.975 5.524 188 HE2 PHE 24 HE2 PHE 24 -8.171 0.376 8.164 189 HZ PHE 24 HZ PHE 24 -9.304 -1.577 7.184 190 H GLY 25 H GLY 25 -1.691 0.321 4.420 191 HA2 GLY 25 HA2 GLY 25 -1.314 -1.710 2.320 192 HA3 GLY 25 HA3 GLY 25 -0.444 -0.186 2.266 193 H LYS 26 H LYS 26 0.860 -2.608 2.249 194 HA LYS 26 HA LYS 26 2.380 -2.515 4.724 195 HB2 LYS 26 HB2 LYS 26 0.453 -4.379 4.594 196 HB3 LYS 26 HB3 LYS 26 1.683 -5.212 3.658 197 HG2 LYS 26 HG2 LYS 26 1.874 -5.959 5.895 198 HG3 LYS 26 HG3 LYS 26 3.249 -4.904 5.575 199 HD2 LYS 26 HD2 LYS 26 2.267 -4.475 7.781 200 HD3 LYS 26 HD3 LYS 26 2.139 -3.069 6.726 201 HE2 LYS 26 HE2 LYS 26 0.081 -3.463 8.003 202 HE3 LYS 26 HE3 LYS 26 -0.183 -3.590 6.267 203 HZ1 LYS 26 HZ1 LYS 26 -0.158 -5.977 6.445 204 HZ2 LYS 26 HZ2 LYS 26 -1.292 -5.351 7.531 205 HZ3 LYS 26 HZ3 LYS 26 0.207 -5.895 8.093 206 H CYS 27 H CYS 27 4.540 -3.156 4.365 207 HA CYS 27 HA CYS 27 5.262 -3.148 1.543 208 HB2 CYS 27 HB2 CYS 27 6.447 -1.661 3.157 209 HB3 CYS 27 HB3 CYS 27 7.091 -3.096 3.949 210 H ILE 28 H ILE 28 5.596 -4.954 0.454 211 HA ILE 28 HA ILE 28 6.565 -7.305 1.922 212 HB ILE 28 HB ILE 28 4.725 -7.033 -0.461 213 HG12 ILE 28 HG12 ILE 28 4.504 -8.143 2.310 214 HG13 ILE 28 HG13 ILE 28 3.511 -6.923 1.525 215 HG21 ILE 28 HG21 ILE 28 4.735 -9.416 -0.764 216 HG22 ILE 28 HG22 ILE 28 5.924 -9.618 0.524 217 HG23 ILE 28 HG23 ILE 28 6.373 -8.798 -0.974 218 HD11 ILE 28 HD11 ILE 28 2.652 -8.695 0.015 219 HD12 ILE 28 HD12 ILE 28 2.230 -8.917 1.713 220 HD13 ILE 28 HD13 ILE 28 3.520 -9.880 0.989 221 H ASN 29 H ASN 29 7.938 -8.717 0.329 222 HA ASN 29 HA ASN 29 10.153 -7.107 -0.394 223 HB2 ASN 29 HB2 ASN 29 11.111 -9.279 -1.275 224 HB3 ASN 29 HB3 ASN 29 10.644 -9.270 0.418 225 HD21 ASN 29 HD21 ASN 29 8.276 -9.505 -2.154 226 HD22 ASN 29 HD22 ASN 29 7.850 -11.155 -1.855 227 H GLY 30 H GLY 30 8.346 -5.958 -1.885 228 HA2 GLY 30 HA2 GLY 30 9.309 -5.615 -4.350 229 HA3 GLY 30 HA3 GLY 30 8.312 -7.046 -4.568 230 H LYS 31 H LYS 31 6.261 -6.171 -2.596 231 HA LYS 31 HA LYS 31 5.042 -4.113 -4.310 232 HB2 LYS 31 HB2 LYS 31 2.938 -5.337 -4.185 233 HB3 LYS 31 HB3 LYS 31 4.212 -6.346 -4.860 234 HG2 LYS 31 HG2 LYS 31 4.472 -7.520 -2.797 235 HG3 LYS 31 HG3 LYS 31 3.346 -6.432 -1.990 236 HD2 LYS 31 HD2 LYS 31 2.166 -8.417 -2.440 237 HD3 LYS 31 HD3 LYS 31 1.588 -7.227 -3.601 238 HE2 LYS 31 HE2 LYS 31 3.732 -9.243 -4.235 239 HE3 LYS 31 HE3 LYS 31 2.020 -9.565 -4.482 240 HZ1 LYS 31 HZ1 LYS 31 1.989 -7.552 -5.936 241 HZ2 LYS 31 HZ2 LYS 31 2.915 -8.833 -6.527 242 HZ3 LYS 31 HZ3 LYS 31 3.675 -7.503 -5.826 243 H CYS 32 H CYS 32 3.048 -3.184 -3.282 244 HA CYS 32 HA CYS 32 3.237 -3.137 -0.351 245 HB2 CYS 32 HB2 CYS 32 2.217 -1.127 -2.345 246 HB3 CYS 32 HB3 CYS 32 1.530 -1.148 -0.720 247 H ASP 33 H ASP 33 2.126 -4.920 0.220 248 HA ASP 33 HA ASP 33 -0.308 -5.691 -1.055 249 HB2 ASP 33 HB2 ASP 33 0.945 -7.471 -0.193 250 HB3 ASP 33 HB3 ASP 33 1.208 -6.666 1.349 251 H CYS 34 H CYS 34 -2.194 -4.859 -0.726 252 HA CYS 34 HA CYS 34 -2.648 -3.218 1.660 253 HB2 CYS 34 HB2 CYS 34 -3.738 -3.119 -1.139 254 HB3 CYS 34 HB3 CYS 34 -4.549 -2.298 0.187 255 H THR 35 H THR 35 -4.769 -3.212 2.605 256 HA THR 35 HA THR 35 -6.355 -5.608 1.982 257 HB THR 35 HB THR 35 -6.415 -3.971 4.527 258 HG1 THR 35 HG1 THR 35 -4.568 -5.627 3.844 259 HG21 THR 35 HG21 THR 35 -8.525 -5.169 3.786 260 HG22 THR 35 HG22 THR 35 -7.904 -5.602 5.384 261 HG23 THR 35 HG23 THR 35 -7.630 -6.677 4.014 262 HA PRO 36 HA PRO 36 -9.053 -2.551 0.267 263 HB2 PRO 36 HB2 PRO 36 -10.904 -4.200 -0.720 264 HB3 PRO 36 HB3 PRO 36 -9.263 -4.182 -1.373 265 HG2 PRO 36 HG2 PRO 36 -10.502 -6.086 0.580 266 HG3 PRO 36 HG3 PRO 36 -9.492 -6.438 -0.833 267 HD2 PRO 36 HD2 PRO 36 -8.541 -6.327 1.736 268 HD3 PRO 36 HD3 PRO 36 -7.549 -6.008 0.302 269 H LYS 37 H LYS 37 -11.811 -2.873 0.167 270 HA LYS 37 HA LYS 37 -12.495 -2.328 2.945 271 HB2 LYS 37 HB2 LYS 37 -14.079 -1.988 0.402 272 HB3 LYS 37 HB3 LYS 37 -14.715 -1.637 1.999 273 HG2 LYS 37 HG2 LYS 37 -14.061 0.447 1.458 274 HG3 LYS 37 HG3 LYS 37 -12.514 -0.127 2.079 275 HD2 LYS 37 HD2 LYS 37 -11.762 -0.627 -0.170 276 HD3 LYS 37 HD3 LYS 37 -13.338 -0.173 -0.824 277 HE2 LYS 37 HE2 LYS 37 -12.975 2.109 0.152 278 HE3 LYS 37 HE3 LYS 37 -11.328 1.614 0.535 279 HZ1 LYS 37 HZ1 LYS 37 -11.388 2.816 -1.535 280 HZ2 LYS 37 HZ2 LYS 37 -12.534 1.752 -2.177 281 HZ3 LYS 37 HZ3 LYS 37 -10.967 1.207 -1.844 Start of MODEL 5 1 H1 VAL 1 H1 VAL 1 -7.070 -8.217 -3.560 2 H2 VAL 1 H2 VAL 1 -5.697 -8.847 -2.805 3 H3 VAL 1 H3 VAL 1 -5.765 -8.751 -4.489 4 HA VAL 1 HA VAL 1 -5.760 -6.381 -4.430 5 HB VAL 1 HB VAL 1 -5.342 -5.214 -2.265 6 HG11 VAL 1 HG11 VAL 1 -7.639 -5.142 -1.588 7 HG12 VAL 1 HG12 VAL 1 -7.957 -6.708 -2.334 8 HG13 VAL 1 HG13 VAL 1 -7.574 -5.312 -3.342 9 HG21 VAL 1 HG21 VAL 1 -4.544 -7.118 -0.973 10 HG22 VAL 1 HG22 VAL 1 -6.135 -7.870 -1.075 11 HG23 VAL 1 HG23 VAL 1 -5.928 -6.364 -0.182 12 H GLY 2 H GLY 2 -3.820 -4.994 -3.482 13 HA2 GLY 2 HA2 GLY 2 -1.521 -5.083 -2.706 14 HA3 GLY 2 HA3 GLY 2 -1.439 -6.728 -3.319 15 H ILE 3 H ILE 3 -0.490 -3.620 -3.924 16 HA ILE 3 HA ILE 3 -0.815 -3.812 -6.840 17 HB ILE 3 HB ILE 3 -0.467 -1.478 -6.940 18 HG12 ILE 3 HG12 ILE 3 0.456 -1.618 -4.063 19 HG13 ILE 3 HG13 ILE 3 1.513 -1.435 -5.458 20 HG21 ILE 3 HG21 ILE 3 -2.087 -0.574 -5.301 21 HG22 ILE 3 HG22 ILE 3 -2.020 -2.106 -4.428 22 HG23 ILE 3 HG23 ILE 3 -2.652 -2.054 -6.075 23 HD11 ILE 3 HD11 ILE 3 -0.373 0.513 -4.251 24 HD12 ILE 3 HD12 ILE 3 0.134 0.688 -5.926 25 HD13 ILE 3 HD13 ILE 3 1.332 0.708 -4.630 26 H ASN 4 H ASN 4 1.099 -2.566 -7.951 27 HA ASN 4 HA ASN 4 3.616 -3.770 -7.016 28 HB2 ASN 4 HB2 ASN 4 2.948 -4.538 -9.249 29 HB3 ASN 4 HB3 ASN 4 2.825 -2.869 -9.800 30 HD21 ASN 4 HD21 ASN 4 4.357 -3.149 -11.398 31 HD22 ASN 4 HD22 ASN 4 6.040 -3.323 -11.046 32 H VAL 5 H VAL 5 5.045 -2.400 -6.184 33 HA VAL 5 HA VAL 5 5.430 0.274 -7.092 34 HB VAL 5 HB VAL 5 3.178 0.230 -5.744 35 HG11 VAL 5 HG11 VAL 5 3.403 0.507 -3.369 36 HG12 VAL 5 HG12 VAL 5 5.145 0.284 -3.474 37 HG13 VAL 5 HG13 VAL 5 4.058 -1.049 -3.867 38 HG21 VAL 5 HG21 VAL 5 3.551 2.478 -4.904 39 HG22 VAL 5 HG22 VAL 5 4.281 2.284 -6.499 40 HG23 VAL 5 HG23 VAL 5 5.293 2.269 -5.057 41 H ASP 6 H ASP 6 6.647 1.433 -5.016 42 HA ASP 6 HA ASP 6 8.433 -0.594 -3.886 43 HB2 ASP 6 HB2 ASP 6 10.346 0.921 -4.168 44 HB3 ASP 6 HB3 ASP 6 9.631 0.463 -5.704 45 H CYS 7 H CYS 7 8.102 -0.619 -1.836 46 HA CYS 7 HA CYS 7 7.346 1.813 -0.427 47 HB2 CYS 7 HB2 CYS 7 7.127 0.195 1.536 48 HB3 CYS 7 HB3 CYS 7 5.975 0.033 0.229 49 H LYS 8 H LYS 8 8.798 3.014 0.551 50 HA LYS 8 HA LYS 8 11.355 2.054 1.387 51 HB2 LYS 8 HB2 LYS 8 10.827 4.471 0.944 52 HB3 LYS 8 HB3 LYS 8 9.811 4.470 2.374 53 HG2 LYS 8 HG2 LYS 8 11.722 3.980 3.765 54 HG3 LYS 8 HG3 LYS 8 12.767 3.919 2.345 55 HD2 LYS 8 HD2 LYS 8 11.211 6.334 3.273 56 HD3 LYS 8 HD3 LYS 8 12.938 6.073 3.525 57 HE2 LYS 8 HE2 LYS 8 13.254 6.002 1.081 58 HE3 LYS 8 HE3 LYS 8 11.536 6.329 0.864 59 HZ1 LYS 8 HZ1 LYS 8 12.908 8.322 0.657 60 HZ2 LYS 8 HZ2 LYS 8 13.445 8.130 2.246 61 HZ3 LYS 8 HZ3 LYS 8 11.814 8.452 1.940 62 H HIS 9 H HIS 9 8.151 2.076 2.576 63 HA HIS 9 HA HIS 9 8.576 0.248 4.655 64 HB2 HIS 9 HB2 HIS 9 7.854 1.829 6.561 65 HB3 HIS 9 HB3 HIS 9 9.537 1.887 6.052 66 HD1 HIS 9 HD1 HIS 9 10.371 4.030 4.961 67 HD2 HIS 9 HD2 HIS 9 6.342 4.145 5.965 68 HE1 HIS 9 HE1 HIS 9 9.641 6.391 4.541 69 HE2 HIS 9 HE2 HIS 9 7.273 6.497 5.404 70 H SER 10 H SER 10 6.499 -0.067 5.943 71 HA SER 10 HA SER 10 4.369 -0.286 4.137 72 HB2 SER 10 HB2 SER 10 3.035 -0.823 6.228 73 HB3 SER 10 HB3 SER 10 4.488 -1.785 5.975 74 HG SER 10 HG SER 10 4.708 -1.167 8.025 75 H GLY 11 H GLY 11 5.086 2.192 6.539 76 HA2 GLY 11 HA2 GLY 11 2.617 3.453 6.696 77 HA3 GLY 11 HA3 GLY 11 4.160 4.238 6.970 78 H GLN 12 H GLN 12 5.075 3.807 4.183 79 HA GLN 12 HA GLN 12 3.626 6.088 3.090 80 HB2 GLN 12 HB2 GLN 12 5.480 6.207 1.427 81 HB3 GLN 12 HB3 GLN 12 5.989 6.395 3.095 82 HG2 GLN 12 HG2 GLN 12 7.620 5.038 2.200 83 HG3 GLN 12 HG3 GLN 12 6.544 3.890 2.988 84 HE21 GLN 12 HE21 GLN 12 7.695 5.126 -0.053 85 HE22 GLN 12 HE22 GLN 12 7.065 3.846 -1.034 86 H CYS 13 H CYS 13 3.059 2.975 3.023 87 HA CYS 13 HA CYS 13 2.688 2.584 0.174 88 HB2 CYS 13 HB2 CYS 13 3.334 0.675 1.566 89 HB3 CYS 13 HB3 CYS 13 1.892 0.880 2.552 90 H LEU 14 H LEU 14 1.057 4.003 2.721 91 HA LEU 14 HA LEU 14 -1.611 3.310 2.348 92 HB2 LEU 14 HB2 LEU 14 -0.403 5.900 3.295 93 HB3 LEU 14 HB3 LEU 14 -2.083 5.461 3.478 94 HG LEU 14 HG LEU 14 0.304 4.170 4.791 95 HD11 LEU 14 HD11 LEU 14 -0.421 6.212 5.847 96 HD12 LEU 14 HD12 LEU 14 -0.840 4.832 6.860 97 HD13 LEU 14 HD13 LEU 14 -2.084 5.631 5.899 98 HD21 LEU 14 HD21 LEU 14 -1.156 2.380 4.192 99 HD22 LEU 14 HD22 LEU 14 -2.570 3.269 4.762 100 HD23 LEU 14 HD23 LEU 14 -1.363 2.698 5.915 101 H LYS 15 H LYS 15 0.200 6.039 1.028 102 HA LYS 15 HA LYS 15 -1.908 7.282 -0.255 103 HB2 LYS 15 HB2 LYS 15 0.049 8.502 0.221 104 HB3 LYS 15 HB3 LYS 15 1.065 7.372 -0.658 105 HG2 LYS 15 HG2 LYS 15 0.118 8.060 -2.724 106 HG3 LYS 15 HG3 LYS 15 -1.017 9.132 -1.910 107 HD2 LYS 15 HD2 LYS 15 1.964 9.423 -1.629 108 HD3 LYS 15 HD3 LYS 15 1.066 10.197 -2.932 109 HE2 LYS 15 HE2 LYS 15 1.314 11.807 -1.204 110 HE3 LYS 15 HE3 LYS 15 -0.364 11.280 -1.180 111 HZ1 LYS 15 HZ1 LYS 15 0.761 11.493 1.036 112 HZ2 LYS 15 HZ2 LYS 15 1.691 10.142 0.628 113 HZ3 LYS 15 HZ3 LYS 15 0.010 10.010 0.749 114 HA PRO 16 HA PRO 16 -0.718 5.236 -4.418 115 HB2 PRO 16 HB2 PRO 16 0.829 3.002 -4.428 116 HB3 PRO 16 HB3 PRO 16 1.494 4.632 -4.587 117 HG2 PRO 16 HG2 PRO 16 1.344 2.864 -2.185 118 HG3 PRO 16 HG3 PRO 16 2.677 3.901 -2.732 119 HD2 PRO 16 HD2 PRO 16 0.981 4.638 -0.741 120 HD3 PRO 16 HD3 PRO 16 1.735 5.808 -1.840 121 H CYS 17 H CYS 17 -1.057 3.235 -1.584 122 HA CYS 17 HA CYS 17 -2.612 1.174 -2.753 123 HB2 CYS 17 HB2 CYS 17 -1.492 0.976 -0.553 124 HB3 CYS 17 HB3 CYS 17 -2.597 2.180 0.103 125 H LYS 18 H LYS 18 -3.332 4.282 -1.298 126 HA LYS 18 HA LYS 18 -6.159 4.084 -1.408 127 HB2 LYS 18 HB2 LYS 18 -5.145 5.696 0.043 128 HB3 LYS 18 HB3 LYS 18 -4.248 6.415 -1.283 129 HG2 LYS 18 HG2 LYS 18 -6.294 7.267 -2.249 130 HG3 LYS 18 HG3 LYS 18 -7.240 6.478 -0.985 131 HD2 LYS 18 HD2 LYS 18 -5.062 8.365 -0.219 132 HD3 LYS 18 HD3 LYS 18 -6.595 9.017 -0.797 133 HE2 LYS 18 HE2 LYS 18 -6.563 8.869 1.638 134 HE3 LYS 18 HE3 LYS 18 -7.782 7.800 0.952 135 HZ1 LYS 18 HZ1 LYS 18 -6.347 5.933 1.308 136 HZ2 LYS 18 HZ2 LYS 18 -6.490 6.780 2.762 137 HZ3 LYS 18 HZ3 LYS 18 -5.085 6.927 1.834 138 H LYS 19 H LYS 19 -3.685 5.360 -3.566 139 HA LYS 19 HA LYS 19 -5.320 6.327 -5.611 140 HB2 LYS 19 HB2 LYS 19 -2.876 6.692 -5.465 141 HB3 LYS 19 HB3 LYS 19 -2.611 5.001 -5.852 142 HG2 LYS 19 HG2 LYS 19 -2.250 6.386 -7.799 143 HG3 LYS 19 HG3 LYS 19 -3.650 5.342 -8.041 144 HD2 LYS 19 HD2 LYS 19 -4.145 7.559 -8.857 145 HD3 LYS 19 HD3 LYS 19 -5.122 7.231 -7.428 146 HE2 LYS 19 HE2 LYS 19 -3.493 8.490 -6.067 147 HE3 LYS 19 HE3 LYS 19 -2.586 8.862 -7.531 148 HZ1 LYS 19 HZ1 LYS 19 -4.550 10.001 -8.388 149 HZ2 LYS 19 HZ2 LYS 19 -4.022 10.684 -6.935 150 HZ3 LYS 19 HZ3 LYS 19 -5.378 9.678 -6.950 151 H ALA 20 H ALA 20 -4.286 3.086 -4.814 152 HA ALA 20 HA ALA 20 -5.326 1.873 -7.191 153 HB1 ALA 20 HB1 ALA 20 -3.464 0.940 -5.807 154 HB2 ALA 20 HB2 ALA 20 -4.748 -0.205 -6.189 155 HB3 ALA 20 HB3 ALA 20 -4.664 0.526 -4.587 156 H GLY 21 H GLY 21 -6.452 2.334 -3.866 157 HA2 GLY 21 HA2 GLY 21 -8.898 3.003 -3.986 158 HA3 GLY 21 HA3 GLY 21 -9.118 1.462 -4.787 159 H MET 22 H MET 22 -6.798 1.054 -2.405 160 HA MET 22 HA MET 22 -8.847 -0.214 -0.739 161 HB2 MET 22 HB2 MET 22 -5.869 -0.638 -0.893 162 HB3 MET 22 HB3 MET 22 -6.863 -1.341 0.371 163 HG2 MET 22 HG2 MET 22 -6.610 -3.025 -1.222 164 HG3 MET 22 HG3 MET 22 -8.235 -2.391 -1.473 165 HE1 MET 22 HE1 MET 22 -4.836 -0.678 -2.617 166 HE2 MET 22 HE2 MET 22 -4.613 -1.477 -4.174 167 HE3 MET 22 HE3 MET 22 -4.555 -2.417 -2.685 168 H ARG 23 H ARG 23 -7.503 -0.406 1.682 169 HA ARG 23 HA ARG 23 -7.854 2.368 2.559 170 HB2 ARG 23 HB2 ARG 23 -8.040 -0.243 4.065 171 HB3 ARG 23 HB3 ARG 23 -8.190 1.334 4.824 172 HG2 ARG 23 HG2 ARG 23 -10.083 1.754 3.163 173 HG3 ARG 23 HG3 ARG 23 -10.027 0.017 2.859 174 HD2 ARG 23 HD2 ARG 23 -10.308 1.165 5.617 175 HD3 ARG 23 HD3 ARG 23 -11.694 0.820 4.590 176 HE ARG 23 HE ARG 23 -10.240 -1.502 4.619 177 HH11 ARG 23 HH11 ARG 23 -11.743 0.543 7.029 178 HH12 ARG 23 HH12 ARG 23 -12.033 -0.763 8.135 179 HH21 ARG 23 HH21 ARG 23 -10.622 -3.209 6.062 180 HH22 ARG 23 HH22 ARG 23 -11.398 -2.900 7.582 181 H PHE 24 H PHE 24 -5.849 -0.439 3.423 182 HA PHE 24 HA PHE 24 -3.663 1.422 4.070 183 HB2 PHE 24 HB2 PHE 24 -3.463 -0.927 5.689 184 HB3 PHE 24 HB3 PHE 24 -3.609 0.750 6.205 185 HD1 PHE 24 HD1 PHE 24 -5.616 -2.098 4.995 186 HD2 PHE 24 HD2 PHE 24 -5.503 1.379 7.417 187 HE1 PHE 24 HE1 PHE 24 -7.846 -2.644 5.849 188 HE2 PHE 24 HE2 PHE 24 -7.742 0.849 8.291 189 HZ PHE 24 HZ PHE 24 -8.918 -1.169 7.512 190 H GLY 25 H GLY 25 -1.533 0.401 4.056 191 HA2 GLY 25 HA2 GLY 25 -1.409 -1.948 2.297 192 HA3 GLY 25 HA3 GLY 25 -0.544 -0.485 1.862 193 H LYS 26 H LYS 26 0.548 -3.086 2.300 194 HA LYS 26 HA LYS 26 2.304 -2.540 4.598 195 HB2 LYS 26 HB2 LYS 26 1.450 -5.175 3.395 196 HB3 LYS 26 HB3 LYS 26 2.789 -5.022 4.518 197 HG2 LYS 26 HG2 LYS 26 1.267 -4.163 6.220 198 HG3 LYS 26 HG3 LYS 26 -0.083 -4.335 5.092 199 HD2 LYS 26 HD2 LYS 26 0.311 -6.740 4.968 200 HD3 LYS 26 HD3 LYS 26 1.691 -6.579 6.055 201 HE2 LYS 26 HE2 LYS 26 -0.265 -7.380 7.252 202 HE3 LYS 26 HE3 LYS 26 0.206 -5.783 7.822 203 HZ1 LYS 26 HZ1 LYS 26 -2.195 -6.003 7.525 204 HZ2 LYS 26 HZ2 LYS 26 -1.971 -6.320 5.882 205 HZ3 LYS 26 HZ3 LYS 26 -1.548 -4.812 6.516 206 H CYS 27 H CYS 27 4.501 -3.523 4.284 207 HA CYS 27 HA CYS 27 5.388 -2.868 1.560 208 HB2 CYS 27 HB2 CYS 27 6.330 -1.519 3.418 209 HB3 CYS 27 HB3 CYS 27 7.017 -2.988 4.106 210 H ILE 28 H ILE 28 5.509 -4.671 0.346 211 HA ILE 28 HA ILE 28 6.905 -6.987 1.509 212 HB ILE 28 HB ILE 28 4.708 -6.897 -0.590 213 HG12 ILE 28 HG12 ILE 28 4.863 -7.902 2.239 214 HG13 ILE 28 HG13 ILE 28 3.771 -6.699 1.567 215 HG21 ILE 28 HG21 ILE 28 4.826 -9.342 -0.647 216 HG22 ILE 28 HG22 ILE 28 6.251 -9.299 0.393 217 HG23 ILE 28 HG23 ILE 28 6.321 -8.609 -1.229 218 HD11 ILE 28 HD11 ILE 28 2.733 -8.503 0.212 219 HD12 ILE 28 HD12 ILE 28 2.543 -8.698 1.953 220 HD13 ILE 28 HD13 ILE 28 3.733 -9.665 1.082 221 H ASN 29 H ASN 29 7.940 -8.269 -0.468 222 HA ASN 29 HA ASN 29 10.086 -6.709 -1.320 223 HB2 ASN 29 HB2 ASN 29 10.628 -8.728 -2.761 224 HB3 ASN 29 HB3 ASN 29 10.436 -9.022 -1.039 225 HD21 ASN 29 HD21 ASN 29 7.739 -8.480 -3.197 226 HD22 ASN 29 HD22 ASN 29 7.123 -10.103 -3.152 227 H GLY 30 H GLY 30 8.618 -4.994 -2.302 228 HA2 GLY 30 HA2 GLY 30 8.623 -3.777 -4.332 229 HA3 GLY 30 HA3 GLY 30 8.697 -5.300 -5.211 230 H LYS 31 H LYS 31 6.482 -5.490 -2.672 231 HA LYS 31 HA LYS 31 4.284 -4.906 -4.524 232 HB2 LYS 31 HB2 LYS 31 4.401 -7.245 -4.509 233 HB3 LYS 31 HB3 LYS 31 4.817 -7.306 -2.803 234 HG2 LYS 31 HG2 LYS 31 2.520 -6.471 -2.311 235 HG3 LYS 31 HG3 LYS 31 2.140 -6.703 -4.022 236 HD2 LYS 31 HD2 LYS 31 3.246 -8.864 -2.255 237 HD3 LYS 31 HD3 LYS 31 1.514 -8.616 -2.502 238 HE2 LYS 31 HE2 LYS 31 1.833 -8.945 -4.920 239 HE3 LYS 31 HE3 LYS 31 3.551 -9.219 -4.645 240 HZ1 LYS 31 HZ1 LYS 31 1.325 -10.890 -3.618 241 HZ2 LYS 31 HZ2 LYS 31 2.959 -11.140 -3.270 242 HZ3 LYS 31 HZ3 LYS 31 2.399 -11.306 -4.855 243 H CYS 32 H CYS 32 2.726 -3.631 -3.685 244 HA CYS 32 HA CYS 32 2.803 -3.115 -0.805 245 HB2 CYS 32 HB2 CYS 32 2.078 -1.520 -3.110 246 HB3 CYS 32 HB3 CYS 32 0.764 -1.561 -1.938 247 H ASP 33 H ASP 33 1.941 -5.047 -0.099 248 HA ASP 33 HA ASP 33 -0.592 -5.977 -1.088 249 HB2 ASP 33 HB2 ASP 33 0.875 -7.677 -0.330 250 HB3 ASP 33 HB3 ASP 33 1.177 -6.852 1.196 251 H CYS 34 H CYS 34 -2.410 -5.078 -0.599 252 HA CYS 34 HA CYS 34 -2.558 -3.324 1.731 253 HB2 CYS 34 HB2 CYS 34 -4.132 -3.463 -0.830 254 HB3 CYS 34 HB3 CYS 34 -4.576 -2.418 0.513 255 H THR 35 H THR 35 -4.769 -3.071 2.679 256 HA THR 35 HA THR 35 -6.365 -5.528 2.493 257 HB THR 35 HB THR 35 -5.994 -3.812 4.963 258 HG1 THR 35 HG1 THR 35 -4.430 -5.658 4.083 259 HG21 THR 35 HG21 THR 35 -8.290 -4.848 4.542 260 HG22 THR 35 HG22 THR 35 -7.507 -5.247 6.076 261 HG23 THR 35 HG23 THR 35 -7.496 -6.411 4.751 262 HA PRO 36 HA PRO 36 -9.205 -2.436 1.079 263 HB2 PRO 36 HB2 PRO 36 -11.098 -4.088 0.180 264 HB3 PRO 36 HB3 PRO 36 -9.517 -4.015 -0.596 265 HG2 PRO 36 HG2 PRO 36 -10.600 -6.038 1.311 266 HG3 PRO 36 HG3 PRO 36 -9.599 -6.278 -0.130 267 HD2 PRO 36 HD2 PRO 36 -8.659 -6.202 2.484 268 HD3 PRO 36 HD3 PRO 36 -7.671 -5.956 1.035 269 H LYS 37 H LYS 37 -11.962 -2.875 1.175 270 HA LYS 37 HA LYS 37 -12.617 -2.007 3.775 271 HB2 LYS 37 HB2 LYS 37 -14.096 -2.661 1.304 272 HB3 LYS 37 HB3 LYS 37 -15.017 -2.814 2.791 273 HG2 LYS 37 HG2 LYS 37 -15.261 -0.612 1.720 274 HG3 LYS 37 HG3 LYS 37 -14.601 -0.515 3.350 275 HD2 LYS 37 HD2 LYS 37 -12.375 -0.196 2.473 276 HD3 LYS 37 HD3 LYS 37 -12.956 -0.442 0.826 277 HE2 LYS 37 HE2 LYS 37 -12.611 1.937 1.375 278 HE3 LYS 37 HE3 LYS 37 -14.278 1.567 0.943 279 HZ1 LYS 37 HZ1 LYS 37 -14.185 3.022 2.852 280 HZ2 LYS 37 HZ2 LYS 37 -13.236 1.914 3.703 281 HZ3 LYS 37 HZ3 LYS 37 -14.830 1.527 3.304 Start of MODEL 6 1 H1 VAL 1 H1 VAL 1 -5.409 -7.057 -5.294 2 H2 VAL 1 H2 VAL 1 -6.566 -7.432 -4.122 3 H3 VAL 1 H3 VAL 1 -5.332 -8.530 -4.474 4 HA VAL 1 HA VAL 1 -4.956 -5.850 -3.282 5 HB VAL 1 HB VAL 1 -4.820 -8.603 -2.044 6 HG11 VAL 1 HG11 VAL 1 -4.037 -5.966 -0.825 7 HG12 VAL 1 HG12 VAL 1 -2.935 -7.266 -1.277 8 HG13 VAL 1 HG13 VAL 1 -4.110 -7.515 0.014 9 HG21 VAL 1 HG21 VAL 1 -6.525 -6.192 -1.450 10 HG22 VAL 1 HG22 VAL 1 -6.501 -7.676 -0.495 11 HG23 VAL 1 HG23 VAL 1 -7.066 -7.712 -2.165 12 H GLY 2 H GLY 2 -2.918 -5.119 -3.262 13 HA2 GLY 2 HA2 GLY 2 -0.556 -5.441 -3.102 14 HA3 GLY 2 HA3 GLY 2 -0.752 -6.994 -3.892 15 H ILE 3 H ILE 3 -0.292 -3.637 -4.298 16 HA ILE 3 HA ILE 3 -0.577 -3.813 -7.203 17 HB ILE 3 HB ILE 3 -0.613 -1.494 -7.273 18 HG12 ILE 3 HG12 ILE 3 0.842 -1.502 -4.625 19 HG13 ILE 3 HG13 ILE 3 1.520 -1.084 -6.189 20 HG21 ILE 3 HG21 ILE 3 -2.060 -0.715 -5.436 21 HG22 ILE 3 HG22 ILE 3 -1.683 -2.185 -4.533 22 HG23 ILE 3 HG23 ILE 3 -2.558 -2.286 -6.062 23 HD11 ILE 3 HD11 ILE 3 -0.451 0.450 -4.547 24 HD12 ILE 3 HD12 ILE 3 -0.159 0.802 -6.250 25 HD13 ILE 3 HD13 ILE 3 1.157 0.937 -5.083 26 H ASN 4 H ASN 4 1.299 -2.313 -8.268 27 HA ASN 4 HA ASN 4 3.809 -3.598 -7.429 28 HB2 ASN 4 HB2 ASN 4 2.973 -4.125 -9.738 29 HB3 ASN 4 HB3 ASN 4 3.161 -2.421 -10.141 30 HD21 ASN 4 HD21 ASN 4 4.805 -5.382 -9.365 31 HD22 ASN 4 HD22 ASN 4 6.372 -4.887 -9.906 32 H VAL 5 H VAL 5 4.978 -2.276 -6.226 33 HA VAL 5 HA VAL 5 5.446 0.469 -7.021 34 HB VAL 5 HB VAL 5 3.224 0.297 -5.693 35 HG11 VAL 5 HG11 VAL 5 3.496 0.371 -3.261 36 HG12 VAL 5 HG12 VAL 5 5.193 -0.053 -3.450 37 HG13 VAL 5 HG13 VAL 5 3.936 -1.184 -3.956 38 HG21 VAL 5 HG21 VAL 5 3.556 2.427 -4.630 39 HG22 VAL 5 HG22 VAL 5 4.409 2.413 -6.175 40 HG23 VAL 5 HG23 VAL 5 5.304 2.222 -4.670 41 H ASP 6 H ASP 6 6.687 1.476 -4.888 42 HA ASP 6 HA ASP 6 8.630 -0.570 -4.042 43 HB2 ASP 6 HB2 ASP 6 9.353 2.223 -4.916 44 HB3 ASP 6 HB3 ASP 6 10.457 1.006 -4.300 45 H CYS 7 H CYS 7 8.161 -0.709 -1.970 46 HA CYS 7 HA CYS 7 7.810 1.723 -0.395 47 HB2 CYS 7 HB2 CYS 7 7.342 0.084 1.483 48 HB3 CYS 7 HB3 CYS 7 6.173 0.128 0.180 49 H LYS 8 H LYS 8 9.418 2.579 0.741 50 HA LYS 8 HA LYS 8 11.772 1.024 1.413 51 HB2 LYS 8 HB2 LYS 8 11.942 3.462 0.925 52 HB3 LYS 8 HB3 LYS 8 10.912 3.791 2.306 53 HG2 LYS 8 HG2 LYS 8 12.567 2.850 3.795 54 HG3 LYS 8 HG3 LYS 8 13.617 2.481 2.426 55 HD2 LYS 8 HD2 LYS 8 12.708 5.249 3.224 56 HD3 LYS 8 HD3 LYS 8 14.280 4.549 3.608 57 HE2 LYS 8 HE2 LYS 8 13.193 5.051 0.836 58 HE3 LYS 8 HE3 LYS 8 14.403 6.030 1.663 59 HZ1 LYS 8 HZ1 LYS 8 15.438 4.507 0.119 60 HZ2 LYS 8 HZ2 LYS 8 14.712 3.183 0.873 61 HZ3 LYS 8 HZ3 LYS 8 15.871 4.095 1.700 62 H HIS 9 H HIS 9 8.679 1.633 2.538 63 HA HIS 9 HA HIS 9 8.896 0.048 4.874 64 HB2 HIS 9 HB2 HIS 9 8.129 1.958 6.436 65 HB3 HIS 9 HB3 HIS 9 9.840 1.856 6.042 66 HD1 HIS 9 HD1 HIS 9 10.865 3.770 4.733 67 HD2 HIS 9 HD2 HIS 9 6.768 4.172 5.272 68 HE1 HIS 9 HE1 HIS 9 10.299 6.055 3.873 69 HE2 HIS 9 HE2 HIS 9 7.869 6.374 4.479 70 H SER 10 H SER 10 6.754 -0.009 6.054 71 HA SER 10 HA SER 10 4.741 -0.430 4.108 72 HB2 SER 10 HB2 SER 10 3.317 -0.867 6.196 73 HB3 SER 10 HB3 SER 10 4.747 -1.876 5.969 74 HG SER 10 HG SER 10 4.163 -0.105 7.957 75 H GLY 11 H GLY 11 5.291 2.146 6.440 76 HA2 GLY 11 HA2 GLY 11 2.743 3.275 6.488 77 HA3 GLY 11 HA3 GLY 11 4.233 4.134 6.830 78 H GLN 12 H GLN 12 5.180 3.542 4.005 79 HA GLN 12 HA GLN 12 3.920 5.917 2.893 80 HB2 GLN 12 HB2 GLN 12 5.717 6.021 1.361 81 HB3 GLN 12 HB3 GLN 12 6.426 5.537 2.894 82 HG2 GLN 12 HG2 GLN 12 6.534 3.239 2.156 83 HG3 GLN 12 HG3 GLN 12 5.731 3.664 0.645 84 HE21 GLN 12 HE21 GLN 12 6.853 4.875 -0.895 85 HE22 GLN 12 HE22 GLN 12 8.579 5.005 -0.868 86 H CYS 13 H CYS 13 3.249 2.701 2.826 87 HA CYS 13 HA CYS 13 2.688 2.502 -0.025 88 HB2 CYS 13 HB2 CYS 13 3.471 0.646 1.847 89 HB3 CYS 13 HB3 CYS 13 1.745 0.326 1.707 90 H LEU 14 H LEU 14 1.233 3.779 2.600 91 HA LEU 14 HA LEU 14 -1.461 3.026 2.370 92 HB2 LEU 14 HB2 LEU 14 -0.318 5.703 3.166 93 HB3 LEU 14 HB3 LEU 14 -1.932 5.135 3.516 94 HG LEU 14 HG LEU 14 0.646 4.044 4.634 95 HD11 LEU 14 HD11 LEU 14 -0.044 6.148 5.618 96 HD12 LEU 14 HD12 LEU 14 -0.252 4.827 6.768 97 HD13 LEU 14 HD13 LEU 14 -1.652 5.496 5.930 98 HD21 LEU 14 HD21 LEU 14 -0.857 2.199 4.299 99 HD22 LEU 14 HD22 LEU 14 -2.187 3.098 5.032 100 HD23 LEU 14 HD23 LEU 14 -0.814 2.598 6.017 101 H LYS 15 H LYS 15 0.232 5.847 1.112 102 HA LYS 15 HA LYS 15 -1.769 7.082 -0.259 103 HB2 LYS 15 HB2 LYS 15 0.693 7.752 0.239 104 HB3 LYS 15 HB3 LYS 15 1.028 7.045 -1.332 105 HG2 LYS 15 HG2 LYS 15 -1.040 9.169 -0.928 106 HG3 LYS 15 HG3 LYS 15 0.650 9.548 -1.241 107 HD2 LYS 15 HD2 LYS 15 -1.033 7.822 -3.050 108 HD3 LYS 15 HD3 LYS 15 -0.852 9.564 -3.261 109 HE2 LYS 15 HE2 LYS 15 1.401 7.558 -3.263 110 HE3 LYS 15 HE3 LYS 15 0.677 8.278 -4.698 111 HZ1 LYS 15 HZ1 LYS 15 2.119 9.741 -2.555 112 HZ2 LYS 15 HZ2 LYS 15 1.389 10.458 -3.898 113 HZ3 LYS 15 HZ3 LYS 15 2.705 9.417 -4.106 114 HA PRO 16 HA PRO 16 -0.562 5.001 -4.413 115 HB2 PRO 16 HB2 PRO 16 0.729 2.601 -4.353 116 HB3 PRO 16 HB3 PRO 16 1.553 4.154 -4.493 117 HG2 PRO 16 HG2 PRO 16 1.130 2.440 -2.086 118 HG3 PRO 16 HG3 PRO 16 2.576 3.341 -2.579 119 HD2 PRO 16 HD2 PRO 16 0.896 4.266 -0.674 120 HD3 PRO 16 HD3 PRO 16 1.756 5.348 -1.779 121 H CYS 17 H CYS 17 -1.300 2.758 -1.752 122 HA CYS 17 HA CYS 17 -2.994 1.190 -3.469 123 HB2 CYS 17 HB2 CYS 17 -1.838 0.957 -0.813 124 HB3 CYS 17 HB3 CYS 17 -3.512 0.446 -0.865 125 H LYS 18 H LYS 18 -3.258 3.898 -1.366 126 HA LYS 18 HA LYS 18 -6.089 3.789 -1.012 127 HB2 LYS 18 HB2 LYS 18 -4.535 5.109 0.435 128 HB3 LYS 18 HB3 LYS 18 -4.247 6.190 -0.920 129 HG2 LYS 18 HG2 LYS 18 -5.851 7.148 0.622 130 HG3 LYS 18 HG3 LYS 18 -6.604 6.808 -0.939 131 HD2 LYS 18 HD2 LYS 18 -7.512 4.717 -0.019 132 HD3 LYS 18 HD3 LYS 18 -6.807 5.117 1.549 133 HE2 LYS 18 HE2 LYS 18 -8.198 7.045 1.760 134 HE3 LYS 18 HE3 LYS 18 -8.767 6.882 0.100 135 HZ1 LYS 18 HZ1 LYS 18 -10.390 6.084 1.718 136 HZ2 LYS 18 HZ2 LYS 18 -9.284 4.934 2.276 137 HZ3 LYS 18 HZ3 LYS 18 -9.872 4.843 0.691 138 H LYS 19 H LYS 19 -3.863 5.224 -3.298 139 HA LYS 19 HA LYS 19 -5.773 6.491 -4.959 140 HB2 LYS 19 HB2 LYS 19 -3.324 6.948 -4.997 141 HB3 LYS 19 HB3 LYS 19 -3.063 5.355 -5.691 142 HG2 LYS 19 HG2 LYS 19 -2.961 7.020 -7.419 143 HG3 LYS 19 HG3 LYS 19 -4.394 6.018 -7.654 144 HD2 LYS 19 HD2 LYS 19 -5.823 7.717 -6.817 145 HD3 LYS 19 HD3 LYS 19 -4.460 8.662 -6.215 146 HE2 LYS 19 HE2 LYS 19 -5.098 8.101 -9.108 147 HE3 LYS 19 HE3 LYS 19 -5.364 9.626 -8.265 148 HZ1 LYS 19 HZ1 LYS 19 -2.758 8.346 -8.874 149 HZ2 LYS 19 HZ2 LYS 19 -2.923 9.684 -7.855 150 HZ3 LYS 19 HZ3 LYS 19 -3.351 9.808 -9.484 151 H ALA 20 H ALA 20 -4.423 3.255 -4.796 152 HA ALA 20 HA ALA 20 -5.486 2.253 -7.208 153 HB1 ALA 20 HB1 ALA 20 -3.669 1.170 -5.869 154 HB2 ALA 20 HB2 ALA 20 -4.962 0.071 -6.356 155 HB3 ALA 20 HB3 ALA 20 -4.900 0.677 -4.702 156 H GLY 21 H GLY 21 -6.691 2.161 -3.867 157 HA2 GLY 21 HA2 GLY 21 -9.194 2.779 -3.940 158 HA3 GLY 21 HA3 GLY 21 -9.312 1.317 -4.901 159 H MET 22 H MET 22 -7.008 1.372 -2.342 160 HA MET 22 HA MET 22 -8.776 -0.407 -0.808 161 HB2 MET 22 HB2 MET 22 -5.761 -0.339 -0.951 162 HB3 MET 22 HB3 MET 22 -6.666 -1.325 0.188 163 HG2 MET 22 HG2 MET 22 -6.109 -2.765 -1.562 164 HG3 MET 22 HG3 MET 22 -7.803 -2.353 -1.821 165 HE1 MET 22 HE1 MET 22 -5.999 -3.682 -4.074 166 HE2 MET 22 HE2 MET 22 -6.486 -2.725 -5.474 167 HE3 MET 22 HE3 MET 22 -7.692 -3.239 -4.293 168 H ARG 23 H ARG 23 -7.622 -0.483 1.636 169 HA ARG 23 HA ARG 23 -8.169 2.271 2.487 170 HB2 ARG 23 HB2 ARG 23 -8.246 -0.353 3.956 171 HB3 ARG 23 HB3 ARG 23 -8.359 1.189 4.791 172 HG2 ARG 23 HG2 ARG 23 -10.282 1.687 3.165 173 HG3 ARG 23 HG3 ARG 23 -10.267 -0.051 2.866 174 HD2 ARG 23 HD2 ARG 23 -10.404 1.063 5.642 175 HD3 ARG 23 HD3 ARG 23 -11.853 0.836 4.670 176 HE ARG 23 HE ARG 23 -10.623 -1.575 4.537 177 HH11 ARG 23 HH11 ARG 23 -11.581 0.513 7.174 178 HH12 ARG 23 HH12 ARG 23 -11.875 -0.795 8.274 179 HH21 ARG 23 HH21 ARG 23 -10.990 -3.292 5.975 180 HH22 ARG 23 HH22 ARG 23 -11.533 -2.968 7.590 181 H PHE 24 H PHE 24 -5.933 -0.319 3.442 182 HA PHE 24 HA PHE 24 -4.133 1.752 4.519 183 HB2 PHE 24 HB2 PHE 24 -3.821 -1.137 5.216 184 HB3 PHE 24 HB3 PHE 24 -3.558 0.292 6.217 185 HD1 PHE 24 HD2 PHE 24 -5.511 1.420 7.285 186 HD2 PHE 24 HD1 PHE 24 -5.881 -2.186 5.088 187 HE1 PHE 24 HE2 PHE 24 -7.745 1.056 8.262 188 HE2 PHE 24 HE1 PHE 24 -8.109 -2.563 6.043 189 HZ PHE 24 HZ PHE 24 -9.042 -0.942 7.649 190 H GLY 25 H GLY 25 -1.885 -0.015 4.752 191 HA2 GLY 25 HA2 GLY 25 -1.279 -1.176 2.216 192 HA3 GLY 25 HA3 GLY 25 -0.528 0.403 2.400 193 H LYS 26 H LYS 26 0.492 -2.448 2.292 194 HA LYS 26 HA LYS 26 2.291 -2.190 4.597 195 HB2 LYS 26 HB2 LYS 26 1.030 -4.710 3.515 196 HB3 LYS 26 HB3 LYS 26 2.431 -4.718 4.575 197 HG2 LYS 26 HG2 LYS 26 1.144 -3.628 6.319 198 HG3 LYS 26 HG3 LYS 26 -0.264 -3.561 5.257 199 HD2 LYS 26 HD2 LYS 26 -0.419 -5.427 6.836 200 HD3 LYS 26 HD3 LYS 26 -0.325 -5.998 5.170 201 HE2 LYS 26 HE2 LYS 26 2.038 -6.484 5.448 202 HE3 LYS 26 HE3 LYS 26 1.994 -5.847 7.090 203 HZ1 LYS 26 HZ1 LYS 26 0.441 -7.608 7.678 204 HZ2 LYS 26 HZ2 LYS 26 1.888 -8.247 7.084 205 HZ3 LYS 26 HZ3 LYS 26 0.511 -8.220 6.103 206 H CYS 27 H CYS 27 4.314 -3.530 4.215 207 HA CYS 27 HA CYS 27 5.190 -2.925 1.475 208 HB2 CYS 27 HB2 CYS 27 6.281 -1.627 3.287 209 HB3 CYS 27 HB3 CYS 27 6.857 -3.134 3.990 210 H ILE 28 H ILE 28 5.214 -4.717 0.268 211 HA ILE 28 HA ILE 28 6.459 -7.108 1.425 212 HB ILE 28 HB ILE 28 4.342 -6.788 -0.716 213 HG12 ILE 28 HG12 ILE 28 4.468 -8.046 2.003 214 HG13 ILE 28 HG13 ILE 28 3.379 -6.798 1.417 215 HG21 ILE 28 HG21 ILE 28 4.385 -9.155 -1.131 216 HG22 ILE 28 HG22 ILE 28 5.710 -9.375 0.013 217 HG23 ILE 28 HG23 ILE 28 5.976 -8.479 -1.483 218 HD11 ILE 28 HD11 ILE 28 2.343 -8.480 -0.071 219 HD12 ILE 28 HD12 ILE 28 2.159 -8.832 1.646 220 HD13 ILE 28 HD13 ILE 28 3.351 -9.712 0.687 221 H ASN 29 H ASN 29 7.573 -8.390 -0.550 222 HA ASN 29 HA ASN 29 9.935 -7.194 -1.027 223 HB2 ASN 29 HB2 ASN 29 8.679 -8.946 -3.140 224 HB3 ASN 29 HB3 ASN 29 10.388 -8.778 -2.757 225 HD21 ASN 29 HD21 ASN 29 7.423 -10.301 -1.970 226 HD22 ASN 29 HD22 ASN 29 8.030 -11.352 -0.735 227 H GLY 30 H GLY 30 7.341 -7.196 -3.477 228 HA2 GLY 30 HA2 GLY 30 8.150 -4.464 -4.179 229 HA3 GLY 30 HA3 GLY 30 8.059 -5.664 -5.464 230 H LYS 31 H LYS 31 5.879 -5.800 -2.748 231 HA LYS 31 HA LYS 31 3.707 -5.124 -4.600 232 HB2 LYS 31 HB2 LYS 31 3.680 -7.462 -4.502 233 HB3 LYS 31 HB3 LYS 31 4.114 -7.489 -2.802 234 HG2 LYS 31 HG2 LYS 31 1.867 -6.492 -2.329 235 HG3 LYS 31 HG3 LYS 31 1.459 -6.816 -4.018 236 HD2 LYS 31 HD2 LYS 31 2.450 -8.892 -2.080 237 HD3 LYS 31 HD3 LYS 31 0.741 -8.607 -2.426 238 HE2 LYS 31 HE2 LYS 31 1.092 -9.192 -4.753 239 HE3 LYS 31 HE3 LYS 31 2.823 -9.374 -4.475 240 HZ1 LYS 31 HZ1 LYS 31 2.350 -11.203 -2.970 241 HZ2 LYS 31 HZ2 LYS 31 1.700 -11.510 -4.501 242 HZ3 LYS 31 HZ3 LYS 31 0.690 -11.024 -3.238 243 H CYS 32 H CYS 32 2.264 -3.701 -3.806 244 HA CYS 32 HA CYS 32 2.466 -2.923 -1.012 245 HB2 CYS 32 HB2 CYS 32 2.026 -1.333 -3.066 246 HB3 CYS 32 HB3 CYS 32 0.363 -1.874 -2.872 247 H ASP 33 H ASP 33 1.725 -4.768 0.033 248 HA ASP 33 HA ASP 33 -0.835 -5.895 -0.609 249 HB2 ASP 33 HB2 ASP 33 0.659 -7.432 0.329 250 HB3 ASP 33 HB3 ASP 33 1.165 -6.325 1.597 251 H CYS 34 H CYS 34 -2.571 -4.711 -0.316 252 HA CYS 34 HA CYS 34 -2.820 -3.180 2.186 253 HB2 CYS 34 HB2 CYS 34 -4.089 -1.494 0.741 254 HB3 CYS 34 HB3 CYS 34 -2.339 -1.540 0.576 255 H THR 35 H THR 35 -4.851 -3.099 3.110 256 HA THR 35 HA THR 35 -6.666 -5.155 2.121 257 HB THR 35 HB THR 35 -6.741 -3.665 4.753 258 HG1 THR 35 HG1 THR 35 -5.170 -5.712 3.888 259 HG21 THR 35 HG21 THR 35 -8.887 -4.680 3.916 260 HG22 THR 35 HG22 THR 35 -8.318 -5.306 5.468 261 HG23 THR 35 HG23 THR 35 -8.085 -6.252 3.999 262 HA PRO 36 HA PRO 36 -9.121 -1.825 0.584 263 HB2 PRO 36 HB2 PRO 36 -10.935 -3.257 -0.689 264 HB3 PRO 36 HB3 PRO 36 -9.257 -3.325 -1.202 265 HG2 PRO 36 HG2 PRO 36 -10.788 -5.268 0.487 266 HG3 PRO 36 HG3 PRO 36 -9.688 -5.590 -0.868 267 HD2 PRO 36 HD2 PRO 36 -8.959 -5.710 1.788 268 HD3 PRO 36 HD3 PRO 36 -7.829 -5.419 0.452 269 H LYS 37 H LYS 37 -11.931 -2.176 0.282 270 HA LYS 37 HA LYS 37 -12.769 -1.728 3.021 271 HB2 LYS 37 HB2 LYS 37 -14.325 -1.463 0.446 272 HB3 LYS 37 HB3 LYS 37 -14.895 -0.980 2.032 273 HG2 LYS 37 HG2 LYS 37 -14.222 1.014 1.053 274 HG3 LYS 37 HG3 LYS 37 -12.856 0.575 2.077 275 HD2 LYS 37 HD2 LYS 37 -11.664 -0.306 0.155 276 HD3 LYS 37 HD3 LYS 37 -13.048 0.025 -0.885 277 HE2 LYS 37 HE2 LYS 37 -11.397 2.073 0.592 278 HE3 LYS 37 HE3 LYS 37 -11.332 1.736 -1.138 279 HZ1 LYS 37 HZ1 LYS 37 -12.676 3.641 -0.821 280 HZ2 LYS 37 HZ2 LYS 37 -13.597 2.896 0.384 281 HZ3 LYS 37 HZ3 LYS 37 -13.723 2.374 -1.219 Start of MODEL 7 1 H1 VAL 1 H1 VAL 1 -6.654 -8.531 -3.762 2 H2 VAL 1 H2 VAL 1 -5.210 -9.228 -3.222 3 H3 VAL 1 H3 VAL 1 -5.432 -8.914 -4.868 4 HA VAL 1 HA VAL 1 -5.433 -6.567 -4.500 5 HB VAL 1 HB VAL 1 -4.981 -5.606 -2.315 6 HG11 VAL 1 HG11 VAL 1 -7.084 -6.001 -1.235 7 HG12 VAL 1 HG12 VAL 1 -7.304 -7.501 -2.134 8 HG13 VAL 1 HG13 VAL 1 -7.314 -5.954 -2.983 9 HG21 VAL 1 HG21 VAL 1 -4.907 -8.459 -1.429 10 HG22 VAL 1 HG22 VAL 1 -5.185 -7.142 -0.297 11 HG23 VAL 1 HG23 VAL 1 -3.680 -7.218 -1.214 12 H GLY 2 H GLY 2 -3.341 -5.456 -3.110 13 HA2 GLY 2 HA2 GLY 2 -0.985 -5.644 -2.811 14 HA3 GLY 2 HA3 GLY 2 -1.009 -7.091 -3.810 15 H ILE 3 H ILE 3 -0.052 -3.945 -3.782 16 HA ILE 3 HA ILE 3 -0.793 -3.492 -6.581 17 HB ILE 3 HB ILE 3 -0.430 -1.195 -6.242 18 HG12 ILE 3 HG12 ILE 3 0.916 -1.945 -3.641 19 HG13 ILE 3 HG13 ILE 3 1.719 -1.346 -5.084 20 HG21 ILE 3 HG21 ILE 3 -1.806 -0.688 -4.235 21 HG22 ILE 3 HG22 ILE 3 -1.646 -2.371 -3.742 22 HG23 ILE 3 HG23 ILE 3 -2.487 -1.966 -5.239 23 HD11 ILE 3 HD11 ILE 3 -0.261 0.164 -3.432 24 HD12 ILE 3 HD12 ILE 3 0.571 0.779 -4.853 25 HD13 ILE 3 HD13 ILE 3 1.481 0.385 -3.394 26 H ASN 4 H ASN 4 0.887 -2.200 -7.774 27 HA ASN 4 HA ASN 4 3.453 -3.621 -7.554 28 HB2 ASN 4 HB2 ASN 4 2.119 -3.922 -9.674 29 HB3 ASN 4 HB3 ASN 4 2.308 -2.200 -9.976 30 HD21 ASN 4 HD21 ASN 4 3.193 -4.545 -11.498 31 HD22 ASN 4 HD22 ASN 4 4.898 -4.350 -11.706 32 H VAL 5 H VAL 5 4.524 -2.303 -6.163 33 HA VAL 5 HA VAL 5 5.154 0.391 -7.055 34 HB VAL 5 HB VAL 5 3.028 0.226 -5.455 35 HG11 VAL 5 HG11 VAL 5 3.535 0.471 -3.145 36 HG12 VAL 5 HG12 VAL 5 5.263 0.334 -3.461 37 HG13 VAL 5 HG13 VAL 5 4.204 -1.049 -3.736 38 HG21 VAL 5 HG21 VAL 5 3.511 2.477 -4.637 39 HG22 VAL 5 HG22 VAL 5 3.948 2.301 -6.337 40 HG23 VAL 5 HG23 VAL 5 5.201 2.285 -5.098 41 H ASP 6 H ASP 6 6.621 1.343 -5.072 42 HA ASP 6 HA ASP 6 8.478 -0.805 -4.315 43 HB2 ASP 6 HB2 ASP 6 9.243 1.866 -5.470 44 HB3 ASP 6 HB3 ASP 6 10.369 0.741 -4.727 45 H CYS 7 H CYS 7 8.221 -0.869 -2.226 46 HA CYS 7 HA CYS 7 7.807 1.581 -0.709 47 HB2 CYS 7 HB2 CYS 7 7.485 -0.118 1.204 48 HB3 CYS 7 HB3 CYS 7 6.246 0.005 -0.031 49 H LYS 8 H LYS 8 9.335 2.533 0.450 50 HA LYS 8 HA LYS 8 11.760 1.139 1.193 51 HB2 LYS 8 HB2 LYS 8 11.721 3.608 0.730 52 HB3 LYS 8 HB3 LYS 8 10.711 3.814 2.150 53 HG2 LYS 8 HG2 LYS 8 12.482 2.892 3.542 54 HG3 LYS 8 HG3 LYS 8 13.516 2.736 2.121 55 HD2 LYS 8 HD2 LYS 8 13.305 5.192 1.777 56 HD3 LYS 8 HD3 LYS 8 12.419 5.288 3.299 57 HE2 LYS 8 HE2 LYS 8 15.249 4.303 2.948 58 HE3 LYS 8 HE3 LYS 8 14.771 5.868 3.601 59 HZ1 LYS 8 HZ1 LYS 8 13.652 4.699 5.418 60 HZ2 LYS 8 HZ2 LYS 8 15.306 4.348 5.371 61 HZ3 LYS 8 HZ3 LYS 8 14.189 3.218 4.802 62 H HIS 9 H HIS 9 8.611 1.630 2.326 63 HA HIS 9 HA HIS 9 8.875 -0.018 4.604 64 HB2 HIS 9 HB2 HIS 9 8.154 1.793 6.272 65 HB3 HIS 9 HB3 HIS 9 9.848 1.780 5.800 66 HD1 HIS 9 HD1 HIS 9 10.711 3.773 4.448 67 HD2 HIS 9 HD2 HIS 9 6.679 4.033 5.401 68 HE1 HIS 9 HE1 HIS 9 10.004 6.070 3.735 69 HE2 HIS 9 HE2 HIS 9 7.625 6.290 4.554 70 H SER 10 H SER 10 6.764 -0.122 5.825 71 HA SER 10 HA SER 10 4.661 -0.402 3.961 72 HB2 SER 10 HB2 SER 10 3.285 -0.821 6.061 73 HB3 SER 10 HB3 SER 10 4.695 -1.854 5.837 74 HG SER 10 HG SER 10 5.079 -1.212 7.820 75 H GLY 11 H GLY 11 5.384 2.060 6.371 76 HA2 GLY 11 HA2 GLY 11 2.891 3.299 6.500 77 HA3 GLY 11 HA3 GLY 11 4.418 4.052 6.912 78 H GLN 12 H GLN 12 5.182 3.489 3.923 79 HA GLN 12 HA GLN 12 4.176 6.083 3.074 80 HB2 GLN 12 HB2 GLN 12 5.865 6.110 1.436 81 HB3 GLN 12 HB3 GLN 12 6.613 5.372 2.845 82 HG2 GLN 12 HG2 GLN 12 6.325 3.174 1.878 83 HG3 GLN 12 HG3 GLN 12 5.505 3.874 0.482 84 HE21 GLN 12 HE21 GLN 12 6.929 3.250 -1.047 85 HE22 GLN 12 HE22 GLN 12 8.563 3.821 -1.139 86 H CYS 13 H CYS 13 3.388 2.817 2.650 87 HA CYS 13 HA CYS 13 2.359 3.221 -0.040 88 HB2 CYS 13 HB2 CYS 13 2.932 0.816 1.611 89 HB3 CYS 13 HB3 CYS 13 1.682 0.695 0.373 90 H LEU 14 H LEU 14 1.217 4.387 2.486 91 HA LEU 14 HA LEU 14 -1.492 3.391 2.392 92 HB2 LEU 14 HB2 LEU 14 -0.145 5.728 3.715 93 HB3 LEU 14 HB3 LEU 14 -1.881 5.642 3.613 94 HG LEU 14 HG LEU 14 -1.200 4.869 5.778 95 HD11 LEU 14 HD11 LEU 14 -2.024 2.585 4.011 96 HD12 LEU 14 HD12 LEU 14 -3.102 3.738 4.796 97 HD13 LEU 14 HD13 LEU 14 -2.154 2.608 5.768 98 HD21 LEU 14 HD21 LEU 14 0.582 3.032 4.227 99 HD22 LEU 14 HD22 LEU 14 0.184 2.770 5.925 100 HD23 LEU 14 HD23 LEU 14 1.047 4.230 5.432 101 H LYS 15 H LYS 15 0.384 6.057 1.181 102 HA LYS 15 HA LYS 15 -1.631 7.527 -0.050 103 HB2 LYS 15 HB2 LYS 15 0.331 8.681 0.322 104 HB3 LYS 15 HB3 LYS 15 1.340 7.367 -0.257 105 HG2 LYS 15 HG2 LYS 15 0.628 7.852 -2.539 106 HG3 LYS 15 HG3 LYS 15 -0.324 9.214 -1.948 107 HD2 LYS 15 HD2 LYS 15 1.836 9.967 -2.811 108 HD3 LYS 15 HD3 LYS 15 1.716 10.257 -1.075 109 HE2 LYS 15 HE2 LYS 15 3.049 8.271 -0.632 110 HE3 LYS 15 HE3 LYS 15 3.124 7.917 -2.357 111 HZ1 LYS 15 HZ1 LYS 15 5.143 8.978 -1.634 112 HZ2 LYS 15 HZ2 LYS 15 4.283 10.291 -1.004 113 HZ3 LYS 15 HZ3 LYS 15 4.307 10.019 -2.671 114 HA PRO 16 HA PRO 16 -0.626 5.473 -4.252 115 HB2 PRO 16 HB2 PRO 16 0.845 3.192 -4.351 116 HB3 PRO 16 HB3 PRO 16 1.558 4.803 -4.472 117 HG2 PRO 16 HG2 PRO 16 1.426 2.952 -2.132 118 HG3 PRO 16 HG3 PRO 16 2.747 4.013 -2.656 119 HD2 PRO 16 HD2 PRO 16 1.049 4.645 -0.614 120 HD3 PRO 16 HD3 PRO 16 1.856 5.858 -1.625 121 H CYS 17 H CYS 17 -1.035 3.378 -1.494 122 HA CYS 17 HA CYS 17 -2.564 1.389 -2.859 123 HB2 CYS 17 HB2 CYS 17 -1.377 0.828 -0.816 124 HB3 CYS 17 HB3 CYS 17 -2.298 2.027 0.083 125 H LYS 18 H LYS 18 -3.251 4.377 -1.185 126 HA LYS 18 HA LYS 18 -6.057 4.017 -0.972 127 HB2 LYS 18 HB2 LYS 18 -4.529 5.777 0.170 128 HB3 LYS 18 HB3 LYS 18 -4.730 6.695 -1.314 129 HG2 LYS 18 HG2 LYS 18 -6.364 7.536 0.128 130 HG3 LYS 18 HG3 LYS 18 -7.233 6.441 -0.949 131 HD2 LYS 18 HD2 LYS 18 -8.004 6.066 1.293 132 HD3 LYS 18 HD3 LYS 18 -7.046 4.672 0.794 133 HE2 LYS 18 HE2 LYS 18 -5.126 5.532 2.028 134 HE3 LYS 18 HE3 LYS 18 -6.046 6.962 2.487 135 HZ1 LYS 18 HZ1 LYS 18 -6.035 5.404 4.285 136 HZ2 LYS 18 HZ2 LYS 18 -6.604 4.160 3.293 137 HZ3 LYS 18 HZ3 LYS 18 -7.603 5.479 3.656 138 H LYS 19 H LYS 19 -3.901 5.313 -3.406 139 HA LYS 19 HA LYS 19 -5.948 6.159 -5.206 140 HB2 LYS 19 HB2 LYS 19 -3.581 7.023 -5.165 141 HB3 LYS 19 HB3 LYS 19 -3.070 5.483 -5.841 142 HG2 LYS 19 HG2 LYS 19 -4.421 5.892 -7.825 143 HG3 LYS 19 HG3 LYS 19 -4.965 7.424 -7.143 144 HD2 LYS 19 HD2 LYS 19 -2.597 8.173 -7.076 145 HD3 LYS 19 HD3 LYS 19 -2.141 6.679 -7.896 146 HE2 LYS 19 HE2 LYS 19 -2.317 8.464 -9.511 147 HE3 LYS 19 HE3 LYS 19 -3.615 7.301 -9.775 148 HZ1 LYS 19 HZ1 LYS 19 -3.859 9.913 -8.383 149 HZ2 LYS 19 HZ2 LYS 19 -5.109 8.787 -8.557 150 HZ3 LYS 19 HZ3 LYS 19 -4.456 9.537 -9.922 151 H ALA 20 H ALA 20 -4.222 3.202 -4.588 152 HA ALA 20 HA ALA 20 -4.891 1.795 -6.936 153 HB1 ALA 20 HB1 ALA 20 -3.175 1.107 -5.220 154 HB2 ALA 20 HB2 ALA 20 -4.250 -0.180 -5.772 155 HB3 ALA 20 HB3 ALA 20 -4.519 0.581 -4.204 156 H GLY 21 H GLY 21 -6.550 2.277 -3.871 157 HA2 GLY 21 HA2 GLY 21 -9.014 2.577 -4.211 158 HA3 GLY 21 HA3 GLY 21 -8.950 1.059 -5.091 159 H MET 22 H MET 22 -6.865 1.069 -2.427 160 HA MET 22 HA MET 22 -8.843 -0.514 -0.932 161 HB2 MET 22 HB2 MET 22 -5.824 -0.666 -0.877 162 HB3 MET 22 HB3 MET 22 -6.889 -1.598 0.166 163 HG2 MET 22 HG2 MET 22 -6.300 -3.064 -1.548 164 HG3 MET 22 HG3 MET 22 -7.921 -2.514 -1.967 165 HE1 MET 22 HE1 MET 22 -6.280 -2.954 -5.490 166 HE2 MET 22 HE2 MET 22 -7.654 -3.358 -4.461 167 HE3 MET 22 HE3 MET 22 -6.049 -3.971 -4.068 168 H ARG 23 H ARG 23 -7.821 -0.601 1.574 169 HA ARG 23 HA ARG 23 -8.213 2.189 2.354 170 HB2 ARG 23 HB2 ARG 23 -8.427 -0.390 3.901 171 HB3 ARG 23 HB3 ARG 23 -8.500 1.184 4.680 172 HG2 ARG 23 HG2 ARG 23 -10.392 1.710 3.064 173 HG3 ARG 23 HG3 ARG 23 -10.404 -0.015 2.709 174 HD2 ARG 23 HD2 ARG 23 -10.642 1.066 5.503 175 HD3 ARG 23 HD3 ARG 23 -12.041 0.786 4.468 176 HE ARG 23 HE ARG 23 -10.679 -1.575 4.409 177 HH11 ARG 23 HH11 ARG 23 -12.021 0.434 6.943 178 HH12 ARG 23 HH12 ARG 23 -12.313 -0.899 8.014 179 HH21 ARG 23 HH21 ARG 23 -11.070 -3.319 5.800 180 HH22 ARG 23 HH22 ARG 23 -11.775 -3.040 7.359 181 H PHE 24 H PHE 24 -6.152 -0.494 3.445 182 HA PHE 24 HA PHE 24 -4.101 1.506 4.157 183 HB2 PHE 24 HB2 PHE 24 -3.853 -1.015 5.586 184 HB3 PHE 24 HB3 PHE 24 -3.903 0.627 6.226 185 HD1 PHE 24 HD1 PHE 24 -6.007 -2.103 4.970 186 HD2 PHE 24 HD2 PHE 24 -5.807 1.370 7.384 187 HE1 PHE 24 HE1 PHE 24 -8.256 -2.587 5.811 188 HE2 PHE 24 HE2 PHE 24 -8.066 0.907 8.249 189 HZ PHE 24 HZ PHE 24 -9.296 -1.078 7.466 190 H GLY 25 H GLY 25 -1.879 0.632 4.148 191 HA2 GLY 25 HA2 GLY 25 -1.515 -1.568 2.246 192 HA3 GLY 25 HA3 GLY 25 -0.833 0.004 1.859 193 H LYS 26 H LYS 26 0.418 -2.632 2.367 194 HA LYS 26 HA LYS 26 2.351 -1.733 4.382 195 HB2 LYS 26 HB2 LYS 26 1.087 -4.468 4.186 196 HB3 LYS 26 HB3 LYS 26 2.555 -4.150 5.096 197 HG2 LYS 26 HG2 LYS 26 1.369 -2.594 6.522 198 HG3 LYS 26 HG3 LYS 26 -0.108 -2.836 5.588 199 HD2 LYS 26 HD2 LYS 26 -0.220 -4.151 7.607 200 HD3 LYS 26 HD3 LYS 26 -0.062 -5.232 6.223 201 HE2 LYS 26 HE2 LYS 26 2.315 -5.480 6.670 202 HE3 LYS 26 HE3 LYS 26 2.195 -4.358 8.023 203 HZ1 LYS 26 HZ1 LYS 26 0.798 -6.973 7.831 204 HZ2 LYS 26 HZ2 LYS 26 0.726 -5.903 9.136 205 HZ3 LYS 26 HZ3 LYS 26 2.184 -6.666 8.752 206 H CYS 27 H CYS 27 4.388 -3.134 4.222 207 HA CYS 27 HA CYS 27 5.038 -3.239 1.353 208 HB2 CYS 27 HB2 CYS 27 6.260 -1.543 2.644 209 HB3 CYS 27 HB3 CYS 27 6.854 -2.790 3.733 210 H ILE 28 H ILE 28 5.440 -5.158 0.471 211 HA ILE 28 HA ILE 28 6.302 -7.335 2.252 212 HB ILE 28 HB ILE 28 4.390 -7.380 -0.105 213 HG12 ILE 28 HG12 ILE 28 4.144 -7.850 2.845 214 HG13 ILE 28 HG13 ILE 28 3.256 -6.721 1.832 215 HG21 ILE 28 HG21 ILE 28 4.156 -9.781 0.208 216 HG22 ILE 28 HG22 ILE 28 5.451 -9.765 1.407 217 HG23 ILE 28 HG23 ILE 28 5.801 -9.366 -0.276 218 HD11 ILE 28 HD11 ILE 28 2.110 -8.612 0.769 219 HD12 ILE 28 HD12 ILE 28 1.827 -8.535 2.507 220 HD13 ILE 28 HD13 ILE 28 2.962 -9.714 1.849 221 H ASN 29 H ASN 29 7.307 -9.136 0.556 222 HA ASN 29 HA ASN 29 9.758 -7.981 -0.196 223 HB2 ASN 29 HB2 ASN 29 10.227 -10.273 -1.174 224 HB3 ASN 29 HB3 ASN 29 9.803 -10.225 0.531 225 HD21 ASN 29 HD21 ASN 29 7.495 -9.913 -2.115 226 HD22 ASN 29 HD22 ASN 29 6.691 -11.422 -1.821 227 H GLY 30 H GLY 30 8.271 -6.411 -1.650 228 HA2 GLY 30 HA2 GLY 30 9.264 -5.906 -3.949 229 HA3 GLY 30 HA3 GLY 30 8.452 -7.393 -4.415 230 H LYS 31 H LYS 31 6.233 -6.551 -2.413 231 HA LYS 31 HA LYS 31 4.892 -4.766 -4.332 232 HB2 LYS 31 HB2 LYS 31 2.866 -6.074 -4.055 233 HB3 LYS 31 HB3 LYS 31 4.179 -7.133 -4.557 234 HG2 LYS 31 HG2 LYS 31 4.475 -7.902 -2.279 235 HG3 LYS 31 HG3 LYS 31 3.217 -6.798 -1.727 236 HD2 LYS 31 HD2 LYS 31 2.342 -9.038 -1.924 237 HD3 LYS 31 HD3 LYS 31 1.583 -7.990 -3.122 238 HE2 LYS 31 HE2 LYS 31 3.172 -8.858 -4.813 239 HE3 LYS 31 HE3 LYS 31 3.814 -9.962 -3.599 240 HZ1 LYS 31 HZ1 LYS 31 2.192 -11.038 -5.027 241 HZ2 LYS 31 HZ2 LYS 31 1.014 -9.914 -4.571 242 HZ3 LYS 31 HZ3 LYS 31 1.642 -10.989 -3.428 243 H CYS 32 H CYS 32 2.977 -3.679 -3.356 244 HA CYS 32 HA CYS 32 3.175 -3.560 -0.438 245 HB2 CYS 32 HB2 CYS 32 2.560 -1.401 -2.421 246 HB3 CYS 32 HB3 CYS 32 1.769 -1.346 -0.838 247 H ASP 33 H ASP 33 1.880 -5.035 0.252 248 HA ASP 33 HA ASP 33 -0.601 -5.681 -1.030 249 HB2 ASP 33 HB2 ASP 33 0.543 -7.504 -0.069 250 HB3 ASP 33 HB3 ASP 33 0.808 -6.653 1.448 251 H CYS 34 H CYS 34 -2.680 -5.525 -0.031 252 HA CYS 34 HA CYS 34 -2.901 -3.290 1.849 253 HB2 CYS 34 HB2 CYS 34 -4.114 -3.463 -0.905 254 HB3 CYS 34 HB3 CYS 34 -4.681 -2.342 0.325 255 H THR 35 H THR 35 -4.990 -3.082 2.835 256 HA THR 35 HA THR 35 -6.798 -5.338 2.305 257 HB THR 35 HB THR 35 -6.603 -3.709 4.849 258 HG1 THR 35 HG1 THR 35 -5.441 -6.091 4.010 259 HG21 THR 35 HG21 THR 35 -8.885 -4.598 4.098 260 HG22 THR 35 HG22 THR 35 -8.335 -5.037 5.723 261 HG23 THR 35 HG23 THR 35 -8.216 -6.206 4.407 262 HA PRO 36 HA PRO 36 -9.108 -2.022 0.560 263 HB2 PRO 36 HB2 PRO 36 -11.119 -3.456 -0.439 264 HB3 PRO 36 HB3 PRO 36 -9.488 -3.589 -1.097 265 HG2 PRO 36 HG2 PRO 36 -10.919 -5.410 0.793 266 HG3 PRO 36 HG3 PRO 36 -9.892 -5.815 -0.589 267 HD2 PRO 36 HD2 PRO 36 -9.047 -5.823 2.027 268 HD3 PRO 36 HD3 PRO 36 -7.973 -5.616 0.634 269 H LYS 37 H LYS 37 -11.819 -1.962 0.371 270 HA LYS 37 HA LYS 37 -12.538 -1.109 3.015 271 HB2 LYS 37 HB2 LYS 37 -13.969 -1.039 0.371 272 HB3 LYS 37 HB3 LYS 37 -14.769 -0.576 1.862 273 HG2 LYS 37 HG2 LYS 37 -14.035 1.425 0.893 274 HG3 LYS 37 HG3 LYS 37 -12.890 1.090 2.189 275 HD2 LYS 37 HD2 LYS 37 -11.322 0.159 0.541 276 HD3 LYS 37 HD3 LYS 37 -12.467 0.540 -0.747 277 HE2 LYS 37 HE2 LYS 37 -11.142 2.522 1.100 278 HE3 LYS 37 HE3 LYS 37 -10.728 2.242 -0.590 279 HZ1 LYS 37 HZ1 LYS 37 -13.314 3.294 0.430 280 HZ2 LYS 37 HZ2 LYS 37 -12.967 2.976 -1.196 281 HZ3 LYS 37 HZ3 LYS 37 -12.119 4.182 -0.371 Start of MODEL 8 1 H1 VAL 1 H1 VAL 1 -6.250 -8.972 -3.947 2 H2 VAL 1 H2 VAL 1 -4.879 -9.351 -3.033 3 H3 VAL 1 H3 VAL 1 -4.773 -9.262 -4.716 4 HA VAL 1 HA VAL 1 -5.183 -6.935 -4.704 5 HB VAL 1 HB VAL 1 -5.182 -5.735 -2.469 6 HG11 VAL 1 HG11 VAL 1 -7.548 -5.844 -2.247 7 HG12 VAL 1 HG12 VAL 1 -7.599 -7.474 -2.921 8 HG13 VAL 1 HG13 VAL 1 -7.182 -6.107 -3.954 9 HG21 VAL 1 HG21 VAL 1 -4.421 -7.590 -1.078 10 HG22 VAL 1 HG22 VAL 1 -5.888 -8.492 -1.459 11 HG23 VAL 1 HG23 VAL 1 -5.987 -6.999 -0.526 12 H GLY 2 H GLY 2 -3.591 -5.239 -3.483 13 HA2 GLY 2 HA2 GLY 2 -1.335 -4.974 -2.687 14 HA3 GLY 2 HA3 GLY 2 -0.994 -6.605 -3.257 15 H ILE 3 H ILE 3 -0.025 -3.691 -3.876 16 HA ILE 3 HA ILE 3 -0.579 -3.729 -6.768 17 HB ILE 3 HB ILE 3 -0.216 -1.359 -6.780 18 HG12 ILE 3 HG12 ILE 3 0.553 -1.702 -3.878 19 HG13 ILE 3 HG13 ILE 3 1.628 -1.247 -5.190 20 HG21 ILE 3 HG21 ILE 3 -1.988 -0.639 -5.160 21 HG22 ILE 3 HG22 ILE 3 -1.955 -2.268 -4.490 22 HG23 ILE 3 HG23 ILE 3 -2.437 -2.013 -6.167 23 HD11 ILE 3 HD11 ILE 3 -0.591 0.349 -3.991 24 HD12 ILE 3 HD12 ILE 3 0.216 0.804 -5.487 25 HD13 ILE 3 HD13 ILE 3 1.130 0.712 -3.979 26 H ASN 4 H ASN 4 1.245 -2.302 -7.883 27 HA ASN 4 HA ASN 4 3.707 -3.827 -7.412 28 HB2 ASN 4 HB2 ASN 4 2.357 -2.787 -9.860 29 HB3 ASN 4 HB3 ASN 4 4.105 -2.939 -9.869 30 HD21 ASN 4 HD21 ASN 4 5.035 -4.980 -9.724 31 HD22 ASN 4 HD22 ASN 4 4.127 -6.421 -10.029 32 H VAL 5 H VAL 5 3.157 -1.511 -5.905 33 HA VAL 5 HA VAL 5 4.992 0.472 -7.021 34 HB VAL 5 HB VAL 5 2.626 0.715 -5.509 35 HG11 VAL 5 HG11 VAL 5 3.763 0.428 -3.440 36 HG12 VAL 5 HG12 VAL 5 3.380 2.137 -3.620 37 HG13 VAL 5 HG13 VAL 5 5.023 1.568 -3.907 38 HG21 VAL 5 HG21 VAL 5 3.053 3.127 -5.721 39 HG22 VAL 5 HG22 VAL 5 3.316 2.248 -7.230 40 HG23 VAL 5 HG23 VAL 5 4.694 2.767 -6.261 41 H ASP 6 H ASP 6 6.659 1.332 -5.527 42 HA ASP 6 HA ASP 6 7.893 -0.948 -4.146 43 HB2 ASP 6 HB2 ASP 6 9.201 1.547 -5.233 44 HB3 ASP 6 HB3 ASP 6 10.035 0.197 -4.478 45 H CYS 7 H CYS 7 7.660 -0.894 -2.040 46 HA CYS 7 HA CYS 7 7.358 1.649 -0.665 47 HB2 CYS 7 HB2 CYS 7 6.991 0.161 1.353 48 HB3 CYS 7 HB3 CYS 7 5.790 0.055 0.082 49 H LYS 8 H LYS 8 8.958 2.634 0.350 50 HA LYS 8 HA LYS 8 11.370 1.227 1.098 51 HB2 LYS 8 HB2 LYS 8 10.420 3.965 1.978 52 HB3 LYS 8 HB3 LYS 8 12.057 3.335 2.097 53 HG2 LYS 8 HG2 LYS 8 10.573 3.881 -0.462 54 HG3 LYS 8 HG3 LYS 8 11.809 4.918 0.252 55 HD2 LYS 8 HD2 LYS 8 13.446 3.105 0.022 56 HD3 LYS 8 HD3 LYS 8 12.207 2.084 -0.706 57 HE2 LYS 8 HE2 LYS 8 13.681 3.131 -2.383 58 HE3 LYS 8 HE3 LYS 8 11.993 3.602 -2.573 59 HZ1 LYS 8 HZ1 LYS 8 12.482 5.686 -1.461 60 HZ2 LYS 8 HZ2 LYS 8 13.490 5.489 -2.802 61 HZ3 LYS 8 HZ3 LYS 8 14.097 5.229 -1.245 62 H HIS 9 H HIS 9 8.250 1.826 2.305 63 HA HIS 9 HA HIS 9 8.570 0.073 4.498 64 HB2 HIS 9 HB2 HIS 9 7.917 1.788 6.278 65 HB3 HIS 9 HB3 HIS 9 9.598 1.785 5.762 66 HD1 HIS 9 HD1 HIS 9 10.434 3.854 4.479 67 HD2 HIS 9 HD2 HIS 9 6.449 4.074 5.632 68 HE1 HIS 9 HE1 HIS 9 9.729 6.212 4.024 69 HE2 HIS 9 HE2 HIS 9 7.388 6.381 4.935 70 H SER 10 H SER 10 6.496 -0.033 5.814 71 HA SER 10 HA SER 10 4.359 -0.384 4.054 72 HB2 SER 10 HB2 SER 10 3.004 -0.598 6.209 73 HB3 SER 10 HB3 SER 10 4.396 -1.670 6.047 74 HG SER 10 HG SER 10 3.905 0.252 7.897 75 H GLY 11 H GLY 11 5.139 2.289 6.191 76 HA2 GLY 11 HA2 GLY 11 2.752 3.667 6.237 77 HA3 GLY 11 HA3 GLY 11 4.331 4.421 6.351 78 H GLN 12 H GLN 12 5.197 3.697 3.671 79 HA GLN 12 HA GLN 12 3.660 5.755 2.301 80 HB2 GLN 12 HB2 GLN 12 5.508 5.581 0.559 81 HB3 GLN 12 HB3 GLN 12 5.912 6.256 2.124 82 HG2 GLN 12 HG2 GLN 12 7.160 4.426 2.746 83 HG3 GLN 12 HG3 GLN 12 6.389 3.372 1.560 84 HE21 GLN 12 HE21 GLN 12 8.594 6.085 1.941 85 HE22 GLN 12 HE22 GLN 12 9.455 5.819 0.464 86 H CYS 13 H CYS 13 3.023 2.684 2.584 87 HA CYS 13 HA CYS 13 2.458 2.177 -0.228 88 HB2 CYS 13 HB2 CYS 13 1.949 0.607 2.297 89 HB3 CYS 13 HB3 CYS 13 1.247 0.142 0.755 90 H LEU 14 H LEU 14 1.064 3.574 2.542 91 HA LEU 14 HA LEU 14 -1.659 3.173 2.150 92 HB2 LEU 14 HB2 LEU 14 -0.061 5.351 3.443 93 HB3 LEU 14 HB3 LEU 14 -1.789 5.503 3.298 94 HG LEU 14 HG LEU 14 -1.245 4.712 5.498 95 HD11 LEU 14 HD11 LEU 14 -2.407 2.538 3.788 96 HD12 LEU 14 HD12 LEU 14 -3.287 3.864 4.545 97 HD13 LEU 14 HD13 LEU 14 -2.530 2.622 5.543 98 HD21 LEU 14 HD21 LEU 14 0.930 3.709 4.867 99 HD22 LEU 14 HD22 LEU 14 0.056 2.327 4.208 100 HD23 LEU 14 HD23 LEU 14 -0.044 2.696 5.930 101 H LYS 15 H LYS 15 0.451 5.727 0.908 102 HA LYS 15 HA LYS 15 -1.545 7.279 -0.254 103 HB2 LYS 15 HB2 LYS 15 0.470 8.357 0.143 104 HB3 LYS 15 HB3 LYS 15 1.419 7.067 -0.579 105 HG2 LYS 15 HG2 LYS 15 0.604 7.708 -2.772 106 HG3 LYS 15 HG3 LYS 15 -0.314 9.031 -2.054 107 HD2 LYS 15 HD2 LYS 15 1.756 9.903 -2.940 108 HD3 LYS 15 HD3 LYS 15 1.813 9.964 -1.179 109 HE2 LYS 15 HE2 LYS 15 3.934 9.178 -2.007 110 HE3 LYS 15 HE3 LYS 15 3.112 7.851 -1.190 111 HZ1 LYS 15 HZ1 LYS 15 3.352 8.279 -4.113 112 HZ2 LYS 15 HZ2 LYS 15 2.362 7.103 -3.422 113 HZ3 LYS 15 HZ3 LYS 15 4.036 7.029 -3.204 114 HA PRO 16 HA PRO 16 -0.643 5.341 -4.519 115 HB2 PRO 16 HB2 PRO 16 0.759 3.001 -4.676 116 HB3 PRO 16 HB3 PRO 16 1.481 4.603 -4.847 117 HG2 PRO 16 HG2 PRO 16 1.511 2.747 -2.536 118 HG3 PRO 16 HG3 PRO 16 2.743 3.895 -3.077 119 HD2 PRO 16 HD2 PRO 16 1.045 4.326 -0.952 120 HD3 PRO 16 HD3 PRO 16 1.854 5.605 -1.873 121 H CYS 17 H CYS 17 -1.072 3.036 -1.855 122 HA CYS 17 HA CYS 17 -2.804 1.328 -3.311 123 HB2 CYS 17 HB2 CYS 17 -2.034 1.694 -0.452 124 HB3 CYS 17 HB3 CYS 17 -3.412 0.704 -0.857 125 H LYS 18 H LYS 18 -3.188 4.258 -1.448 126 HA LYS 18 HA LYS 18 -6.014 4.163 -1.248 127 HB2 LYS 18 HB2 LYS 18 -4.675 5.591 0.176 128 HB3 LYS 18 HB3 LYS 18 -4.046 6.451 -1.220 129 HG2 LYS 18 HG2 LYS 18 -6.319 7.279 -1.691 130 HG3 LYS 18 HG3 LYS 18 -6.887 6.468 -0.227 131 HD2 LYS 18 HD2 LYS 18 -4.675 8.500 -0.272 132 HD3 LYS 18 HD3 LYS 18 -6.362 8.909 0.058 133 HE2 LYS 18 HE2 LYS 18 -6.325 7.367 1.977 134 HE3 LYS 18 HE3 LYS 18 -4.632 7.010 1.643 135 HZ1 LYS 18 HZ1 LYS 18 -5.721 9.673 2.362 136 HZ2 LYS 18 HZ2 LYS 18 -4.098 9.325 2.051 137 HZ3 LYS 18 HZ3 LYS 18 -4.864 8.650 3.396 138 H LYS 19 H LYS 19 -3.726 5.471 -3.594 139 HA LYS 19 HA LYS 19 -5.668 6.524 -5.371 140 HB2 LYS 19 HB2 LYS 19 -3.264 7.137 -5.457 141 HB3 LYS 19 HB3 LYS 19 -2.883 5.507 -5.993 142 HG2 LYS 19 HG2 LYS 19 -4.076 5.837 -8.048 143 HG3 LYS 19 HG3 LYS 19 -4.671 7.405 -7.499 144 HD2 LYS 19 HD2 LYS 19 -2.846 7.757 -9.023 145 HD3 LYS 19 HD3 LYS 19 -2.324 8.206 -7.400 146 HE2 LYS 19 HE2 LYS 19 -0.565 6.976 -8.488 147 HE3 LYS 19 HE3 LYS 19 -1.232 5.997 -7.183 148 HZ1 LYS 19 HZ1 LYS 19 -0.842 4.741 -9.245 149 HZ2 LYS 19 HZ2 LYS 19 -1.968 5.710 -10.046 150 HZ3 LYS 19 HZ3 LYS 19 -2.466 4.713 -8.773 151 H ALA 20 H ALA 20 -4.249 3.365 -4.887 152 HA ALA 20 HA ALA 20 -5.322 2.116 -7.191 153 HB1 ALA 20 HB1 ALA 20 -3.467 1.181 -5.808 154 HB2 ALA 20 HB2 ALA 20 -4.770 0.032 -6.121 155 HB3 ALA 20 HB3 ALA 20 -4.652 0.821 -4.549 156 H GLY 21 H GLY 21 -6.418 2.339 -3.826 157 HA2 GLY 21 HA2 GLY 21 -8.881 2.944 -3.757 158 HA3 GLY 21 HA3 GLY 21 -9.095 1.497 -4.725 159 H MET 22 H MET 22 -6.626 1.261 -2.374 160 HA MET 22 HA MET 22 -8.381 -0.511 -0.832 161 HB2 MET 22 HB2 MET 22 -5.379 -0.413 -1.075 162 HB3 MET 22 HB3 MET 22 -6.206 -1.399 0.122 163 HG2 MET 22 HG2 MET 22 -5.729 -2.838 -1.665 164 HG3 MET 22 HG3 MET 22 -7.450 -2.468 -1.797 165 HE1 MET 22 HE1 MET 22 -6.469 -2.794 -5.555 166 HE2 MET 22 HE2 MET 22 -7.601 -3.280 -4.293 167 HE3 MET 22 HE3 MET 22 -5.912 -3.779 -4.201 168 H ARG 23 H ARG 23 -7.465 -0.716 1.593 169 HA ARG 23 HA ARG 23 -8.114 1.970 2.570 170 HB2 ARG 23 HB2 ARG 23 -8.313 -0.748 3.863 171 HB3 ARG 23 HB3 ARG 23 -8.672 0.751 4.706 172 HG2 ARG 23 HG2 ARG 23 -10.325 1.204 2.818 173 HG3 ARG 23 HG3 ARG 23 -10.111 -0.494 2.405 174 HD2 ARG 23 HD2 ARG 23 -10.877 0.411 5.158 175 HD3 ARG 23 HD3 ARG 23 -12.072 0.072 3.909 176 HE ARG 23 HE ARG 23 -10.655 -2.188 3.904 177 HH11 ARG 23 HH11 ARG 23 -11.968 -0.313 6.555 178 HH12 ARG 23 HH12 ARG 23 -12.226 -1.696 7.571 179 HH21 ARG 23 HH21 ARG 23 -10.978 -3.997 5.234 180 HH22 ARG 23 HH22 ARG 23 -11.654 -3.799 6.820 181 H PHE 24 H PHE 24 -5.932 -0.693 3.400 182 HA PHE 24 HA PHE 24 -4.304 1.233 4.929 183 HB2 PHE 24 HB2 PHE 24 -3.966 -1.714 5.249 184 HB3 PHE 24 HB3 PHE 24 -3.823 -0.433 6.451 185 HD1 PHE 24 HD2 PHE 24 -5.873 0.516 7.488 186 HD2 PHE 24 HD1 PHE 24 -5.982 -2.756 4.799 187 HE1 PHE 24 HE2 PHE 24 -8.175 0.009 8.202 188 HE2 PHE 24 HE1 PHE 24 -8.277 -3.274 5.491 189 HZ PHE 24 HZ PHE 24 -9.380 -1.892 7.208 190 H GLY 25 H GLY 25 -2.032 -0.548 5.104 191 HA2 GLY 25 HA2 GLY 25 -1.167 -1.328 2.516 192 HA3 GLY 25 HA3 GLY 25 -0.550 0.270 2.906 193 H LYS 26 H LYS 26 0.478 -2.698 2.702 194 HA LYS 26 HA LYS 26 2.317 -2.395 4.978 195 HB2 LYS 26 HB2 LYS 26 0.578 -4.227 5.329 196 HB3 LYS 26 HB3 LYS 26 1.325 -5.061 3.975 197 HG2 LYS 26 HG2 LYS 26 3.443 -5.148 5.186 198 HG3 LYS 26 HG3 LYS 26 2.690 -4.321 6.551 199 HD2 LYS 26 HD2 LYS 26 1.080 -6.186 6.745 200 HD3 LYS 26 HD3 LYS 26 1.926 -7.018 5.440 201 HE2 LYS 26 HE2 LYS 26 2.658 -7.887 7.576 202 HE3 LYS 26 HE3 LYS 26 3.978 -7.016 6.800 203 HZ1 LYS 26 HZ1 LYS 26 2.230 -5.912 8.927 204 HZ2 LYS 26 HZ2 LYS 26 3.547 -5.131 8.218 205 HZ3 LYS 26 HZ3 LYS 26 3.792 -6.507 9.167 206 H CYS 27 H CYS 27 4.431 -3.325 4.574 207 HA CYS 27 HA CYS 27 5.085 -2.989 1.744 208 HB2 CYS 27 HB2 CYS 27 6.222 -1.571 3.463 209 HB3 CYS 27 HB3 CYS 27 6.957 -3.029 4.117 210 H ILE 28 H ILE 28 5.393 -4.716 0.549 211 HA ILE 28 HA ILE 28 6.408 -7.160 1.796 212 HB ILE 28 HB ILE 28 4.534 -6.599 -0.474 213 HG12 ILE 28 HG12 ILE 28 4.565 -8.283 1.975 214 HG13 ILE 28 HG13 ILE 28 3.442 -7.011 1.534 215 HG21 ILE 28 HG21 ILE 28 5.983 -8.016 -1.617 216 HG22 ILE 28 HG22 ILE 28 4.662 -9.044 -1.078 217 HG23 ILE 28 HG23 ILE 28 6.209 -9.072 -0.230 218 HD11 ILE 28 HD11 ILE 28 2.618 -8.506 -0.293 219 HD12 ILE 28 HD12 ILE 28 2.288 -9.070 1.345 220 HD13 ILE 28 HD13 ILE 28 3.597 -9.793 0.409 221 H ASN 29 H ASN 29 7.856 -8.433 0.242 222 HA ASN 29 HA ASN 29 10.229 -7.190 -0.073 223 HB2 ASN 29 HB2 ASN 29 10.894 -8.981 -1.634 224 HB3 ASN 29 HB3 ASN 29 10.010 -9.599 -0.245 225 HD21 ASN 29 HD21 ASN 29 9.986 -9.097 -3.670 226 HD22 ASN 29 HD22 ASN 29 8.580 -10.051 -4.004 227 H GLY 30 H GLY 30 7.722 -7.296 -2.569 228 HA2 GLY 30 HA2 GLY 30 8.999 -4.951 -3.763 229 HA3 GLY 30 HA3 GLY 30 8.681 -6.330 -4.804 230 H LYS 31 H LYS 31 6.397 -5.888 -2.289 231 HA LYS 31 HA LYS 31 4.520 -4.754 -4.258 232 HB2 LYS 31 HB2 LYS 31 3.960 -7.002 -2.311 233 HB3 LYS 31 HB3 LYS 31 2.775 -6.251 -3.365 234 HG2 LYS 31 HG2 LYS 31 3.823 -7.153 -5.305 235 HG3 LYS 31 HG3 LYS 31 5.206 -7.719 -4.360 236 HD2 LYS 31 HD2 LYS 31 3.759 -9.253 -3.136 237 HD3 LYS 31 HD3 LYS 31 2.357 -8.664 -4.029 238 HE2 LYS 31 HE2 LYS 31 4.749 -9.972 -5.313 239 HE3 LYS 31 HE3 LYS 31 3.286 -10.836 -4.849 240 HZ1 LYS 31 HZ1 LYS 31 3.427 -8.592 -6.784 241 HZ2 LYS 31 HZ2 LYS 31 2.021 -9.421 -6.338 242 HZ3 LYS 31 HZ3 LYS 31 3.248 -10.226 -7.178 243 H CYS 32 H CYS 32 3.085 -3.251 -3.430 244 HA CYS 32 HA CYS 32 3.104 -2.890 -0.532 245 HB2 CYS 32 HB2 CYS 32 2.153 -1.188 -2.807 246 HB3 CYS 32 HB3 CYS 32 1.388 -0.993 -1.235 247 H ASP 33 H ASP 33 2.104 -4.756 0.082 248 HA ASP 33 HA ASP 33 -0.435 -5.524 -1.021 249 HB2 ASP 33 HB2 ASP 33 1.007 -7.266 -0.199 250 HB3 ASP 33 HB3 ASP 33 1.104 -6.512 1.387 251 H CYS 34 H CYS 34 -2.253 -4.584 -0.565 252 HA CYS 34 HA CYS 34 -2.634 -3.342 2.064 253 HB2 CYS 34 HB2 CYS 34 -3.406 -2.081 -0.574 254 HB3 CYS 34 HB3 CYS 34 -3.547 -1.360 1.026 255 H THR 35 H THR 35 -4.748 -3.421 2.840 256 HA THR 35 HA THR 35 -6.389 -5.416 1.494 257 HB THR 35 HB THR 35 -6.723 -4.224 4.254 258 HG1 THR 35 HG1 THR 35 -4.891 -5.378 4.425 259 HG21 THR 35 HG21 THR 35 -8.766 -5.223 3.247 260 HG22 THR 35 HG22 THR 35 -8.203 -6.070 4.692 261 HG23 THR 35 HG23 THR 35 -7.890 -6.750 3.095 262 HA PRO 36 HA PRO 36 -9.048 -2.188 0.060 263 HB2 PRO 36 HB2 PRO 36 -10.832 -3.706 -1.201 264 HB3 PRO 36 HB3 PRO 36 -9.158 -3.644 -1.751 265 HG2 PRO 36 HG2 PRO 36 -10.516 -5.712 -0.061 266 HG3 PRO 36 HG3 PRO 36 -9.454 -5.942 -1.462 267 HD2 PRO 36 HD2 PRO 36 -8.605 -6.103 1.136 268 HD3 PRO 36 HD3 PRO 36 -7.554 -5.646 -0.217 269 H LYS 37 H LYS 37 -11.794 -2.471 -0.214 270 HA LYS 37 HA LYS 37 -12.707 -1.921 2.430 271 HB2 LYS 37 HB2 LYS 37 -14.131 -2.226 -0.198 272 HB3 LYS 37 HB3 LYS 37 -15.023 -2.023 1.298 273 HG2 LYS 37 HG2 LYS 37 -14.912 0.118 0.427 274 HG3 LYS 37 HG3 LYS 37 -13.613 0.095 1.619 275 HD2 LYS 37 HD2 LYS 37 -11.964 -0.195 -0.095 276 HD3 LYS 37 HD3 LYS 37 -13.214 -0.415 -1.323 277 HE2 LYS 37 HE2 LYS 37 -13.983 1.889 -0.914 278 HE3 LYS 37 HE3 LYS 37 -12.684 2.099 0.256 279 HZ1 LYS 37 HZ1 LYS 37 -12.341 1.530 -2.638 280 HZ2 LYS 37 HZ2 LYS 37 -11.083 1.705 -1.522 281 HZ3 LYS 37 HZ3 LYS 37 -12.079 3.023 -1.884 Start of MODEL 9 1 H1 VAL 1 H1 VAL 1 -5.429 -8.451 -4.770 2 H2 VAL 1 H2 VAL 1 -6.670 -8.226 -3.649 3 H3 VAL 1 H3 VAL 1 -5.201 -8.907 -3.159 4 HA VAL 1 HA VAL 1 -5.560 -6.155 -4.178 5 HB VAL 1 HB VAL 1 -4.954 -5.483 -1.841 6 HG11 VAL 1 HG11 VAL 1 -7.173 -5.618 -1.016 7 HG12 VAL 1 HG12 VAL 1 -7.501 -7.085 -1.936 8 HG13 VAL 1 HG13 VAL 1 -7.300 -5.547 -2.772 9 HG21 VAL 1 HG21 VAL 1 -3.969 -7.592 -1.112 10 HG22 VAL 1 HG22 VAL 1 -5.539 -8.384 -1.244 11 HG23 VAL 1 HG23 VAL 1 -5.289 -7.115 -0.045 12 H GLY 2 H GLY 2 -3.549 -4.906 -3.058 13 HA2 GLY 2 HA2 GLY 2 -1.194 -4.907 -2.746 14 HA3 GLY 2 HA3 GLY 2 -1.117 -6.475 -3.539 15 H ILE 3 H ILE 3 -0.088 -3.502 -3.941 16 HA ILE 3 HA ILE 3 -0.996 -3.185 -6.720 17 HB ILE 3 HB ILE 3 -0.545 -0.867 -6.505 18 HG12 ILE 3 HG12 ILE 3 0.802 -1.548 -3.881 19 HG13 ILE 3 HG13 ILE 3 1.617 -1.047 -5.356 20 HG21 ILE 3 HG21 ILE 3 -1.873 -0.260 -4.488 21 HG22 ILE 3 HG22 ILE 3 -1.758 -1.934 -3.956 22 HG23 ILE 3 HG23 ILE 3 -2.606 -1.539 -5.450 23 HD11 ILE 3 HD11 ILE 3 -0.301 0.608 -3.766 24 HD12 ILE 3 HD12 ILE 3 0.540 1.122 -5.225 25 HD13 ILE 3 HD13 ILE 3 1.450 0.770 -3.755 26 H ASN 4 H ASN 4 0.732 -1.840 -7.991 27 HA ASN 4 HA ASN 4 3.250 -3.349 -7.837 28 HB2 ASN 4 HB2 ASN 4 2.114 -3.500 -10.002 29 HB3 ASN 4 HB3 ASN 4 2.074 -1.744 -10.124 30 HD21 ASN 4 HD21 ASN 4 3.239 -1.743 -12.039 31 HD22 ASN 4 HD22 ASN 4 4.934 -2.088 -12.089 32 H VAL 5 H VAL 5 4.419 -2.241 -6.378 33 HA VAL 5 HA VAL 5 5.390 0.377 -7.091 34 HB VAL 5 HB VAL 5 3.118 0.465 -5.641 35 HG11 VAL 5 HG11 VAL 5 3.577 0.720 -3.300 36 HG12 VAL 5 HG12 VAL 5 5.264 0.288 -3.559 37 HG13 VAL 5 HG13 VAL 5 3.993 -0.899 -3.853 38 HG21 VAL 5 HG21 VAL 5 3.781 2.661 -4.844 39 HG22 VAL 5 HG22 VAL 5 4.369 2.405 -6.488 40 HG23 VAL 5 HG23 VAL 5 5.477 2.274 -5.123 41 H ASP 6 H ASP 6 6.843 1.084 -5.011 42 HA ASP 6 HA ASP 6 8.057 -1.303 -3.832 43 HB2 ASP 6 HB2 ASP 6 9.510 0.757 -5.446 44 HB3 ASP 6 HB3 ASP 6 10.337 -0.163 -4.201 45 H CYS 7 H CYS 7 7.861 -1.048 -1.800 46 HA CYS 7 HA CYS 7 7.804 1.596 -0.586 47 HB2 CYS 7 HB2 CYS 7 7.140 0.281 1.471 48 HB3 CYS 7 HB3 CYS 7 6.013 0.217 0.129 49 H LYS 8 H LYS 8 9.344 2.394 0.706 50 HA LYS 8 HA LYS 8 11.591 0.767 1.542 51 HB2 LYS 8 HB2 LYS 8 11.834 3.211 1.014 52 HB3 LYS 8 HB3 LYS 8 10.795 3.568 2.382 53 HG2 LYS 8 HG2 LYS 8 12.391 2.584 3.893 54 HG3 LYS 8 HG3 LYS 8 13.446 2.161 2.544 55 HD2 LYS 8 HD2 LYS 8 13.624 4.571 1.988 56 HD3 LYS 8 HD3 LYS 8 12.668 4.940 3.424 57 HE2 LYS 8 HE2 LYS 8 15.333 3.527 3.390 58 HE3 LYS 8 HE3 LYS 8 15.067 5.210 3.837 59 HZ1 LYS 8 HZ1 LYS 8 13.895 2.877 5.250 60 HZ2 LYS 8 HZ2 LYS 8 13.750 4.497 5.703 61 HZ3 LYS 8 HZ3 LYS 8 15.255 3.736 5.764 62 H HIS 9 H HIS 9 8.476 1.623 2.537 63 HA HIS 9 HA HIS 9 8.515 0.069 4.925 64 HB2 HIS 9 HB2 HIS 9 7.780 2.059 6.387 65 HB3 HIS 9 HB3 HIS 9 9.498 1.891 6.053 66 HD1 HIS 9 HD1 HIS 9 10.619 3.729 4.706 67 HD2 HIS 9 HD2 HIS 9 6.523 4.270 5.128 68 HE1 HIS 9 HE1 HIS 9 10.143 6.004 3.759 69 HE2 HIS 9 HE2 HIS 9 7.706 6.419 4.309 70 H SER 10 H SER 10 6.341 0.145 6.014 71 HA SER 10 HA SER 10 4.365 -0.218 4.012 72 HB2 SER 10 HB2 SER 10 2.869 -0.601 6.044 73 HB3 SER 10 HB3 SER 10 4.277 -1.649 5.893 74 HG SER 10 HG SER 10 3.643 -0.166 7.947 75 H GLY 11 H GLY 11 5.070 2.410 6.219 76 HA2 GLY 11 HA2 GLY 11 2.585 3.679 6.272 77 HA3 GLY 11 HA3 GLY 11 4.127 4.477 6.510 78 H GLN 12 H GLN 12 5.010 3.693 3.754 79 HA GLN 12 HA GLN 12 3.850 6.018 2.468 80 HB2 GLN 12 HB2 GLN 12 5.571 5.766 0.795 81 HB3 GLN 12 HB3 GLN 12 6.292 5.613 2.390 82 HG2 GLN 12 HG2 GLN 12 6.314 3.194 2.160 83 HG3 GLN 12 HG3 GLN 12 5.570 3.334 0.568 84 HE21 GLN 12 HE21 GLN 12 6.787 4.069 -1.150 85 HE22 GLN 12 HE22 GLN 12 8.516 4.146 -1.088 86 H CYS 13 H CYS 13 3.167 2.727 2.557 87 HA CYS 13 HA CYS 13 2.428 2.345 -0.177 88 HB2 CYS 13 HB2 CYS 13 1.687 0.835 2.334 89 HB3 CYS 13 HB3 CYS 13 1.222 0.336 0.715 90 H LEU 14 H LEU 14 0.992 3.802 2.548 91 HA LEU 14 HA LEU 14 -1.713 3.333 2.168 92 HB2 LEU 14 HB2 LEU 14 -0.115 5.461 3.498 93 HB3 LEU 14 HB3 LEU 14 -1.824 5.725 3.280 94 HG LEU 14 HG LEU 14 -2.363 3.786 4.616 95 HD11 LEU 14 HD11 LEU 14 -0.418 2.435 3.883 96 HD12 LEU 14 HD12 LEU 14 -0.708 2.385 5.622 97 HD13 LEU 14 HD13 LEU 14 0.600 3.378 4.971 98 HD21 LEU 14 HD21 LEU 14 -0.275 5.548 5.878 99 HD22 LEU 14 HD22 LEU 14 -1.390 4.510 6.767 100 HD23 LEU 14 HD23 LEU 14 -2.011 5.854 5.808 101 H LYS 15 H LYS 15 0.311 5.923 0.814 102 HA LYS 15 HA LYS 15 -1.810 7.363 -0.288 103 HB2 LYS 15 HB2 LYS 15 0.201 8.530 0.110 104 HB3 LYS 15 HB3 LYS 15 1.158 7.352 -0.774 105 HG2 LYS 15 HG2 LYS 15 1.100 9.004 -2.316 106 HG3 LYS 15 HG3 LYS 15 -0.362 8.127 -2.753 107 HD2 LYS 15 HD2 LYS 15 -0.342 10.504 -0.904 108 HD3 LYS 15 HD3 LYS 15 -0.597 10.634 -2.640 109 HE2 LYS 15 HE2 LYS 15 -2.576 9.189 -2.441 110 HE3 LYS 15 HE3 LYS 15 -2.319 9.094 -0.700 111 HZ1 LYS 15 HZ1 LYS 15 -2.859 11.585 -2.217 112 HZ2 LYS 15 HZ2 LYS 15 -2.642 11.473 -0.546 113 HZ3 LYS 15 HZ3 LYS 15 -3.986 10.748 -1.275 114 HA PRO 16 HA PRO 16 -0.811 5.353 -4.546 115 HB2 PRO 16 HB2 PRO 16 0.690 3.070 -4.566 116 HB3 PRO 16 HB3 PRO 16 1.357 4.684 -4.826 117 HG2 PRO 16 HG2 PRO 16 1.350 3.009 -2.355 118 HG3 PRO 16 HG3 PRO 16 2.635 4.041 -3.008 119 HD2 PRO 16 HD2 PRO 16 1.051 4.807 -0.951 120 HD3 PRO 16 HD3 PRO 16 1.715 5.958 -2.126 121 H CYS 17 H CYS 17 -1.187 3.351 -1.710 122 HA CYS 17 HA CYS 17 -2.781 1.345 -2.985 123 HB2 CYS 17 HB2 CYS 17 -1.558 0.928 -0.884 124 HB3 CYS 17 HB3 CYS 17 -2.583 2.097 -0.061 125 H LYS 18 H LYS 18 -3.379 4.383 -1.357 126 HA LYS 18 HA LYS 18 -6.212 4.152 -1.231 127 HB2 LYS 18 HB2 LYS 18 -4.640 5.710 0.068 128 HB3 LYS 18 HB3 LYS 18 -4.624 6.706 -1.380 129 HG2 LYS 18 HG2 LYS 18 -6.988 7.069 -1.222 130 HG3 LYS 18 HG3 LYS 18 -7.100 5.949 0.138 131 HD2 LYS 18 HD2 LYS 18 -5.509 7.423 1.371 132 HD3 LYS 18 HD3 LYS 18 -5.647 8.586 0.055 133 HE2 LYS 18 HE2 LYS 18 -7.130 9.196 1.875 134 HE3 LYS 18 HE3 LYS 18 -8.062 8.739 0.451 135 HZ1 LYS 18 HZ1 LYS 18 -7.508 6.950 2.752 136 HZ2 LYS 18 HZ2 LYS 18 -8.491 6.600 1.422 137 HZ3 LYS 18 HZ3 LYS 18 -8.949 7.803 2.517 138 H LYS 19 H LYS 19 -3.892 5.456 -3.486 139 HA LYS 19 HA LYS 19 -5.745 6.414 -5.413 140 HB2 LYS 19 HB2 LYS 19 -3.350 7.090 -5.275 141 HB3 LYS 19 HB3 LYS 19 -2.891 5.477 -5.797 142 HG2 LYS 19 HG2 LYS 19 -4.104 5.861 -7.916 143 HG3 LYS 19 HG3 LYS 19 -4.436 7.513 -7.388 144 HD2 LYS 19 HD2 LYS 19 -2.024 7.935 -7.228 145 HD3 LYS 19 HD3 LYS 19 -1.705 6.291 -7.780 146 HE2 LYS 19 HE2 LYS 19 -2.939 6.827 -9.874 147 HE3 LYS 19 HE3 LYS 19 -3.063 8.495 -9.321 148 HZ1 LYS 19 HZ1 LYS 19 -1.207 8.240 -10.818 149 HZ2 LYS 19 HZ2 LYS 19 -0.547 7.014 -9.856 150 HZ3 LYS 19 HZ3 LYS 19 -0.635 8.594 -9.265 151 H ALA 20 H ALA 20 -4.407 3.309 -4.634 152 HA ALA 20 HA ALA 20 -5.122 2.002 -7.075 153 HB1 ALA 20 HB1 ALA 20 -3.323 1.199 -5.532 154 HB2 ALA 20 HB2 ALA 20 -4.503 -0.038 -5.975 155 HB3 ALA 20 HB3 ALA 20 -4.589 0.734 -4.392 156 H GLY 21 H GLY 21 -6.533 2.133 -3.805 157 HA2 GLY 21 HA2 GLY 21 -9.042 2.564 -4.055 158 HA3 GLY 21 HA3 GLY 21 -9.023 1.062 -4.960 159 H MET 22 H MET 22 -6.824 1.007 -2.372 160 HA MET 22 HA MET 22 -8.789 -0.521 -0.811 161 HB2 MET 22 HB2 MET 22 -5.792 -0.820 -0.947 162 HB3 MET 22 HB3 MET 22 -6.803 -1.660 0.218 163 HG2 MET 22 HG2 MET 22 -6.418 -3.194 -1.510 164 HG3 MET 22 HG3 MET 22 -8.066 -2.610 -1.752 165 HE1 MET 22 HE1 MET 22 -8.157 -3.496 -4.209 166 HE2 MET 22 HE2 MET 22 -6.528 -4.158 -4.077 167 HE3 MET 22 HE3 MET 22 -6.955 -3.135 -5.447 168 H ARG 23 H ARG 23 -7.465 -0.682 1.633 169 HA ARG 23 HA ARG 23 -7.984 2.069 2.501 170 HB2 ARG 23 HB2 ARG 23 -8.019 -0.534 4.038 171 HB3 ARG 23 HB3 ARG 23 -8.293 1.040 4.770 172 HG2 ARG 23 HG2 ARG 23 -10.183 1.301 3.068 173 HG3 ARG 23 HG3 ARG 23 -9.994 -0.431 2.797 174 HD2 ARG 23 HD2 ARG 23 -10.429 0.741 5.528 175 HD3 ARG 23 HD3 ARG 23 -11.761 0.274 4.473 176 HE ARG 23 HE ARG 23 -10.200 -1.950 4.562 177 HH11 ARG 23 HH11 ARG 23 -11.692 0.076 6.999 178 HH12 ARG 23 HH12 ARG 23 -11.868 -1.214 8.145 179 HH21 ARG 23 HH21 ARG 23 -10.429 -3.643 6.054 180 HH22 ARG 23 HH22 ARG 23 -11.149 -3.345 7.604 181 H PHE 24 H PHE 24 -5.869 -0.570 3.622 182 HA PHE 24 HA PHE 24 -3.824 1.465 4.234 183 HB2 PHE 24 HB2 PHE 24 -3.476 -0.973 5.745 184 HB3 PHE 24 HB3 PHE 24 -3.655 0.678 6.337 185 HD1 PHE 24 HD1 PHE 24 -5.558 -2.218 5.105 186 HD2 PHE 24 HD2 PHE 24 -5.602 1.277 7.503 187 HE1 PHE 24 HE1 PHE 24 -7.768 -2.853 5.956 188 HE2 PHE 24 HE2 PHE 24 -7.822 0.658 8.373 189 HZ PHE 24 HZ PHE 24 -8.906 -1.413 7.603 190 H GLY 25 H GLY 25 -1.597 0.618 4.207 191 HA2 GLY 25 HA2 GLY 25 -1.305 -1.576 2.259 192 HA3 GLY 25 HA3 GLY 25 -0.441 -0.059 2.058 193 H LYS 26 H LYS 26 0.373 -2.928 2.529 194 HA LYS 26 HA LYS 26 2.144 -2.466 4.841 195 HB2 LYS 26 HB2 LYS 26 0.457 -4.350 5.026 196 HB3 LYS 26 HB3 LYS 26 1.287 -5.123 3.685 197 HG2 LYS 26 HG2 LYS 26 3.342 -5.208 5.025 198 HG3 LYS 26 HG3 LYS 26 2.462 -4.497 6.381 199 HD2 LYS 26 HD2 LYS 26 0.878 -6.412 6.272 200 HD3 LYS 26 HD3 LYS 26 1.907 -7.139 5.038 201 HE2 LYS 26 HE2 LYS 26 3.770 -7.188 6.617 202 HE3 LYS 26 HE3 LYS 26 2.749 -6.447 7.849 203 HZ1 LYS 26 HZ1 LYS 26 2.905 -8.851 8.112 204 HZ2 LYS 26 HZ2 LYS 26 2.250 -9.079 6.572 205 HZ3 LYS 26 HZ3 LYS 26 1.317 -8.374 7.792 206 H CYS 27 H CYS 27 4.320 -3.419 4.589 207 HA CYS 27 HA CYS 27 5.189 -3.006 1.826 208 HB2 CYS 27 HB2 CYS 27 6.174 -1.663 3.742 209 HB3 CYS 27 HB3 CYS 27 6.946 -3.153 4.273 210 H ILE 28 H ILE 28 5.488 -4.736 0.629 211 HA ILE 28 HA ILE 28 6.539 -7.172 1.875 212 HB ILE 28 HB ILE 28 4.586 -6.718 -0.373 213 HG12 ILE 28 HG12 ILE 28 4.597 -8.167 2.227 214 HG13 ILE 28 HG13 ILE 28 3.490 -6.927 1.666 215 HG21 ILE 28 HG21 ILE 28 6.008 -8.270 -1.379 216 HG22 ILE 28 HG22 ILE 28 4.649 -9.201 -0.765 217 HG23 ILE 28 HG23 ILE 28 6.189 -9.209 0.096 218 HD11 ILE 28 HD11 ILE 28 2.655 -8.592 -0.016 219 HD12 ILE 28 HD12 ILE 28 2.296 -8.963 1.669 220 HD13 ILE 28 HD13 ILE 28 3.599 -9.811 0.838 221 H ASN 29 H ASN 29 7.906 -8.456 0.241 222 HA ASN 29 HA ASN 29 10.252 -7.200 -0.168 223 HB2 ASN 29 HB2 ASN 29 10.830 -8.965 -1.828 224 HB3 ASN 29 HB3 ASN 29 10.098 -9.587 -0.355 225 HD21 ASN 29 HD21 ASN 29 9.714 -9.101 -3.768 226 HD22 ASN 29 HD22 ASN 29 8.307 -10.090 -3.950 227 H GLY 30 H GLY 30 7.700 -7.373 -2.636 228 HA2 GLY 30 HA2 GLY 30 8.923 -4.994 -3.838 229 HA3 GLY 30 HA3 GLY 30 8.556 -6.368 -4.870 230 H LYS 31 H LYS 31 6.378 -5.922 -2.266 231 HA LYS 31 HA LYS 31 4.449 -4.719 -4.132 232 HB2 LYS 31 HB2 LYS 31 4.002 -7.015 -2.222 233 HB3 LYS 31 HB3 LYS 31 2.738 -6.214 -3.140 234 HG2 LYS 31 HG2 LYS 31 3.406 -7.149 -5.131 235 HG3 LYS 31 HG3 LYS 31 5.060 -7.416 -4.570 236 HD2 LYS 31 HD2 LYS 31 4.513 -9.327 -3.433 237 HD3 LYS 31 HD3 LYS 31 2.845 -8.824 -3.180 238 HE2 LYS 31 HE2 LYS 31 4.035 -9.707 -5.809 239 HE3 LYS 31 HE3 LYS 31 3.037 -10.709 -4.757 240 HZ1 LYS 31 HZ1 LYS 31 1.706 -9.783 -6.514 241 HZ2 LYS 31 HZ2 LYS 31 2.190 -8.213 -6.125 242 HZ3 LYS 31 HZ3 LYS 31 1.231 -9.093 -5.046 243 H CYS 32 H CYS 32 3.277 -3.041 -3.250 244 HA CYS 32 HA CYS 32 3.196 -2.849 -0.343 245 HB2 CYS 32 HB2 CYS 32 2.357 -1.018 -2.571 246 HB3 CYS 32 HB3 CYS 32 1.535 -0.877 -1.013 247 H ASP 33 H ASP 33 2.186 -4.833 0.004 248 HA ASP 33 HA ASP 33 -0.326 -5.439 -1.242 249 HB2 ASP 33 HB2 ASP 33 1.240 -7.211 -0.567 250 HB3 ASP 33 HB3 ASP 33 1.018 -6.761 1.120 251 H CYS 34 H CYS 34 -2.316 -5.084 -0.512 252 HA CYS 34 HA CYS 34 -2.472 -3.293 1.809 253 HB2 CYS 34 HB2 CYS 34 -4.157 -3.450 -0.689 254 HB3 CYS 34 HB3 CYS 34 -4.477 -2.369 0.659 255 H THR 35 H THR 35 -4.645 -3.185 2.830 256 HA THR 35 HA THR 35 -6.158 -5.689 2.578 257 HB THR 35 HB THR 35 -5.962 -3.912 5.022 258 HG1 THR 35 HG1 THR 35 -4.445 -5.966 4.159 259 HG21 THR 35 HG21 THR 35 -8.182 -5.083 4.536 260 HG22 THR 35 HG22 THR 35 -7.439 -5.401 6.108 261 HG23 THR 35 HG23 THR 35 -7.311 -6.595 4.817 262 HA PRO 36 HA PRO 36 -9.006 -2.743 0.945 263 HB2 PRO 36 HB2 PRO 36 -10.871 -4.455 0.105 264 HB3 PRO 36 HB3 PRO 36 -9.276 -4.409 -0.647 265 HG2 PRO 36 HG2 PRO 36 -10.363 -6.326 1.374 266 HG3 PRO 36 HG3 PRO 36 -9.369 -6.650 -0.056 267 HD2 PRO 36 HD2 PRO 36 -8.399 -6.443 2.522 268 HD3 PRO 36 HD3 PRO 36 -7.428 -6.202 1.059 269 H LYS 37 H LYS 37 -11.739 -3.117 0.995 270 HA LYS 37 HA LYS 37 -12.284 -2.222 3.662 271 HB2 LYS 37 HB2 LYS 37 -14.495 -1.668 2.899 272 HB3 LYS 37 HB3 LYS 37 -13.331 -1.134 1.707 273 HG2 LYS 37 HG2 LYS 37 -14.910 -3.680 1.456 274 HG3 LYS 37 HG3 LYS 37 -15.441 -2.132 0.806 275 HD2 LYS 37 HD2 LYS 37 -13.216 -2.075 -0.430 276 HD3 LYS 37 HD3 LYS 37 -13.052 -3.775 0.012 277 HE2 LYS 37 HE2 LYS 37 -13.994 -3.698 -2.169 278 HE3 LYS 37 HE3 LYS 37 -15.280 -4.171 -1.063 279 HZ1 LYS 37 HZ1 LYS 37 -14.845 -1.433 -2.128 280 HZ2 LYS 37 HZ2 LYS 37 -16.088 -1.894 -1.079 281 HZ3 LYS 37 HZ3 LYS 37 -16.036 -2.514 -2.652 Start of MODEL 10 1 H1 VAL 1 H1 VAL 1 -6.880 -8.423 -3.643 2 H2 VAL 1 H2 VAL 1 -5.629 -8.865 -2.596 3 H3 VAL 1 H3 VAL 1 -5.423 -9.014 -4.263 4 HA VAL 1 HA VAL 1 -5.573 -6.637 -4.534 5 HB VAL 1 HB VAL 1 -5.373 -5.216 -2.480 6 HG11 VAL 1 HG11 VAL 1 -7.728 -5.155 -2.012 7 HG12 VAL 1 HG12 VAL 1 -7.944 -6.771 -2.686 8 HG13 VAL 1 HG13 VAL 1 -7.477 -5.430 -3.734 9 HG21 VAL 1 HG21 VAL 1 -4.700 -6.947 -0.907 10 HG22 VAL 1 HG22 VAL 1 -6.272 -7.729 -1.080 11 HG23 VAL 1 HG23 VAL 1 -6.159 -6.126 -0.354 12 H GLY 2 H GLY 2 -3.783 -5.073 -3.680 13 HA2 GLY 2 HA2 GLY 2 -1.509 -5.063 -2.702 14 HA3 GLY 2 HA3 GLY 2 -1.341 -6.697 -3.329 15 H ILE 3 H ILE 3 -0.568 -3.525 -3.905 16 HA ILE 3 HA ILE 3 -0.864 -3.716 -6.815 17 HB ILE 3 HB ILE 3 -0.817 -1.425 -6.933 18 HG12 ILE 3 HG12 ILE 3 0.835 -1.433 -4.400 19 HG13 ILE 3 HG13 ILE 3 1.387 -1.053 -6.023 20 HG21 ILE 3 HG21 ILE 3 -2.102 -0.483 -5.061 21 HG22 ILE 3 HG22 ILE 3 -1.747 -1.922 -4.107 22 HG23 ILE 3 HG23 ILE 3 -2.722 -2.052 -5.571 23 HD11 ILE 3 HD11 ILE 3 -0.419 0.562 -4.270 24 HD12 ILE 3 HD12 ILE 3 -0.172 0.908 -5.980 25 HD13 ILE 3 HD13 ILE 3 1.187 0.984 -4.856 26 H ASN 4 H ASN 4 0.986 -2.512 -7.991 27 HA ASN 4 HA ASN 4 3.509 -3.740 -7.203 28 HB2 ASN 4 HB2 ASN 4 4.174 -3.207 -9.549 29 HB3 ASN 4 HB3 ASN 4 2.818 -4.310 -9.443 30 HD21 ASN 4 HD21 ASN 4 3.769 -2.439 -11.549 31 HD22 ASN 4 HD22 ASN 4 2.390 -1.478 -11.952 32 H VAL 5 H VAL 5 4.880 -2.448 -6.132 33 HA VAL 5 HA VAL 5 5.342 0.262 -6.943 34 HB VAL 5 HB VAL 5 3.139 0.229 -5.585 35 HG11 VAL 5 HG11 VAL 5 3.396 0.400 -3.180 36 HG12 VAL 5 HG12 VAL 5 5.100 -0.021 -3.323 37 HG13 VAL 5 HG13 VAL 5 3.859 -1.190 -3.778 38 HG21 VAL 5 HG21 VAL 5 3.543 2.403 -4.674 39 HG22 VAL 5 HG22 VAL 5 4.416 2.263 -6.200 40 HG23 VAL 5 HG23 VAL 5 5.282 2.134 -4.671 41 H ASP 6 H ASP 6 6.627 1.321 -4.871 42 HA ASP 6 HA ASP 6 8.512 -0.717 -3.914 43 HB2 ASP 6 HB2 ASP 6 9.249 1.842 -5.300 44 HB3 ASP 6 HB3 ASP 6 10.369 0.927 -4.308 45 H CYS 7 H CYS 7 8.052 -0.627 -1.882 46 HA CYS 7 HA CYS 7 7.731 1.915 -0.493 47 HB2 CYS 7 HB2 CYS 7 7.153 0.404 1.460 48 HB3 CYS 7 HB3 CYS 7 6.046 0.354 0.100 49 H LYS 8 H LYS 8 9.181 2.718 0.920 50 HA LYS 8 HA LYS 8 11.530 1.157 1.650 51 HB2 LYS 8 HB2 LYS 8 11.766 3.575 1.208 52 HB3 LYS 8 HB3 LYS 8 10.608 3.924 2.478 53 HG2 LYS 8 HG2 LYS 8 12.152 2.905 4.109 54 HG3 LYS 8 HG3 LYS 8 13.339 2.716 2.817 55 HD2 LYS 8 HD2 LYS 8 12.148 5.332 3.737 56 HD3 LYS 8 HD3 LYS 8 13.755 4.734 4.154 57 HE2 LYS 8 HE2 LYS 8 14.382 4.763 1.793 58 HE3 LYS 8 HE3 LYS 8 12.772 5.338 1.365 59 HZ1 LYS 8 HZ1 LYS 8 14.422 7.125 1.467 60 HZ2 LYS 8 HZ2 LYS 8 14.681 6.799 3.105 61 HZ3 LYS 8 HZ3 LYS 8 13.173 7.355 2.582 62 H HIS 9 H HIS 9 8.381 1.750 2.629 63 HA HIS 9 HA HIS 9 8.405 0.133 4.940 64 HB2 HIS 9 HB2 HIS 9 7.744 2.032 6.547 65 HB3 HIS 9 HB3 HIS 9 9.454 1.881 6.162 66 HD1 HIS 9 HD1 HIS 9 10.559 3.800 4.922 67 HD2 HIS 9 HD2 HIS 9 6.470 4.317 5.419 68 HE1 HIS 9 HE1 HIS 9 10.075 6.129 4.126 69 HE2 HIS 9 HE2 HIS 9 7.631 6.492 4.646 70 H SER 10 H SER 10 6.246 -0.023 5.876 71 HA SER 10 HA SER 10 4.301 0.027 3.816 72 HB2 SER 10 HB2 SER 10 2.774 -0.721 5.750 73 HB3 SER 10 HB3 SER 10 4.134 -1.760 5.320 74 HG SER 10 HG SER 10 4.798 -1.524 7.286 75 H GLY 11 H GLY 11 5.112 2.302 6.286 76 HA2 GLY 11 HA2 GLY 11 2.656 3.598 6.632 77 HA3 GLY 11 HA3 GLY 11 4.228 4.347 6.842 78 H GLN 12 H GLN 12 5.046 3.935 4.083 79 HA GLN 12 HA GLN 12 3.728 6.273 2.983 80 HB2 GLN 12 HB2 GLN 12 5.494 6.319 1.367 81 HB3 GLN 12 HB3 GLN 12 6.228 5.946 2.921 82 HG2 GLN 12 HG2 GLN 12 6.272 3.572 2.319 83 HG3 GLN 12 HG3 GLN 12 5.564 3.965 0.757 84 HE21 GLN 12 HE21 GLN 12 6.814 4.994 -0.789 85 HE22 GLN 12 HE22 GLN 12 8.541 5.069 -0.676 86 H CYS 13 H CYS 13 3.050 3.070 2.979 87 HA CYS 13 HA CYS 13 2.641 2.695 0.138 88 HB2 CYS 13 HB2 CYS 13 3.188 0.977 2.210 89 HB3 CYS 13 HB3 CYS 13 1.465 0.713 1.962 90 H LEU 14 H LEU 14 0.991 4.036 2.694 91 HA LEU 14 HA LEU 14 -1.683 3.364 2.195 92 HB2 LEU 14 HB2 LEU 14 -0.544 5.954 3.232 93 HB3 LEU 14 HB3 LEU 14 -2.197 5.422 3.409 94 HG LEU 14 HG LEU 14 0.250 4.215 4.690 95 HD11 LEU 14 HD11 LEU 14 -0.528 6.231 5.764 96 HD12 LEU 14 HD12 LEU 14 -0.888 4.830 6.775 97 HD13 LEU 14 HD13 LEU 14 -2.170 5.593 5.834 98 HD21 LEU 14 HD21 LEU 14 -1.166 2.390 4.090 99 HD22 LEU 14 HD22 LEU 14 -2.597 3.237 4.682 100 HD23 LEU 14 HD23 LEU 14 -1.366 2.689 5.818 101 H LYS 15 H LYS 15 0.200 6.163 1.156 102 HA LYS 15 HA LYS 15 -1.657 7.538 -0.278 103 HB2 LYS 15 HB2 LYS 15 0.750 8.131 0.349 104 HB3 LYS 15 HB3 LYS 15 1.208 7.337 -1.149 105 HG2 LYS 15 HG2 LYS 15 -0.102 8.888 -2.429 106 HG3 LYS 15 HG3 LYS 15 -0.725 9.610 -0.946 107 HD2 LYS 15 HD2 LYS 15 1.033 11.003 -1.888 108 HD3 LYS 15 HD3 LYS 15 1.543 10.325 -0.344 109 HE2 LYS 15 HE2 LYS 15 3.368 10.190 -1.904 110 HE3 LYS 15 HE3 LYS 15 2.776 8.564 -1.569 111 HZ1 LYS 15 HZ1 LYS 15 1.522 8.663 -3.659 112 HZ2 LYS 15 HZ2 LYS 15 3.184 8.832 -3.909 113 HZ3 LYS 15 HZ3 LYS 15 2.177 10.188 -3.983 114 HA PRO 16 HA PRO 16 -0.662 5.265 -4.372 115 HB2 PRO 16 HB2 PRO 16 0.743 2.953 -4.340 116 HB3 PRO 16 HB3 PRO 16 1.513 4.533 -4.508 117 HG2 PRO 16 HG2 PRO 16 1.253 2.789 -2.099 118 HG3 PRO 16 HG3 PRO 16 2.634 3.765 -2.636 119 HD2 PRO 16 HD2 PRO 16 0.917 4.564 -0.667 120 HD3 PRO 16 HD3 PRO 16 1.801 5.690 -1.707 121 H CYS 17 H CYS 17 -1.159 3.322 -1.506 122 HA CYS 17 HA CYS 17 -2.720 1.295 -2.744 123 HB2 CYS 17 HB2 CYS 17 -1.607 1.076 -0.518 124 HB3 CYS 17 HB3 CYS 17 -2.787 2.205 0.139 125 H LYS 18 H LYS 18 -3.416 4.418 -1.316 126 HA LYS 18 HA LYS 18 -6.257 4.167 -1.428 127 HB2 LYS 18 HB2 LYS 18 -4.377 6.492 -1.108 128 HB3 LYS 18 HB3 LYS 18 -6.109 6.736 -1.252 129 HG2 LYS 18 HG2 LYS 18 -4.789 5.034 0.845 130 HG3 LYS 18 HG3 LYS 18 -5.291 6.708 1.079 131 HD2 LYS 18 HD2 LYS 18 -7.157 4.464 0.303 132 HD3 LYS 18 HD3 LYS 18 -6.897 5.003 1.959 133 HE2 LYS 18 HE2 LYS 18 -8.800 6.167 1.388 134 HE3 LYS 18 HE3 LYS 18 -7.544 7.343 1.014 135 HZ1 LYS 18 HZ1 LYS 18 -7.715 6.765 -1.310 136 HZ2 LYS 18 HZ2 LYS 18 -9.240 7.177 -0.724 137 HZ3 LYS 18 HZ3 LYS 18 -8.845 5.554 -0.974 138 H LYS 19 H LYS 19 -3.769 5.303 -3.598 139 HA LYS 19 HA LYS 19 -5.474 6.353 -5.603 140 HB2 LYS 19 HB2 LYS 19 -3.121 6.910 -5.598 141 HB3 LYS 19 HB3 LYS 19 -2.671 5.217 -5.722 142 HG2 LYS 19 HG2 LYS 19 -2.357 6.300 -7.844 143 HG3 LYS 19 HG3 LYS 19 -3.676 5.138 -7.968 144 HD2 LYS 19 HD2 LYS 19 -5.292 6.978 -7.706 145 HD3 LYS 19 HD3 LYS 19 -3.953 8.126 -7.643 146 HE2 LYS 19 HE2 LYS 19 -3.263 7.415 -9.894 147 HE3 LYS 19 HE3 LYS 19 -4.634 6.308 -9.952 148 HZ1 LYS 19 HZ1 LYS 19 -5.127 8.348 -11.113 149 HZ2 LYS 19 HZ2 LYS 19 -4.788 9.265 -9.736 150 HZ3 LYS 19 HZ3 LYS 19 -6.118 8.218 -9.748 151 H ALA 20 H ALA 20 -4.391 3.162 -4.747 152 HA ALA 20 HA ALA 20 -5.279 1.903 -7.168 153 HB1 ALA 20 HB1 ALA 20 -3.429 1.020 -5.793 154 HB2 ALA 20 HB2 ALA 20 -4.696 -0.168 -6.095 155 HB3 ALA 20 HB3 ALA 20 -4.591 0.633 -4.527 156 H GLY 21 H GLY 21 -6.505 2.124 -3.829 157 HA2 GLY 21 HA2 GLY 21 -9.010 2.661 -3.997 158 HA3 GLY 21 HA3 GLY 21 -9.088 1.129 -4.846 159 H MET 22 H MET 22 -6.789 0.957 -2.372 160 HA MET 22 HA MET 22 -8.788 -0.340 -0.664 161 HB2 MET 22 HB2 MET 22 -5.836 -0.834 -0.948 162 HB3 MET 22 HB3 MET 22 -6.774 -1.472 0.393 163 HG2 MET 22 HG2 MET 22 -6.651 -3.203 -1.182 164 HG3 MET 22 HG3 MET 22 -8.277 -2.535 -1.314 165 HE1 MET 22 HE1 MET 22 -4.960 -0.930 -2.730 166 HE2 MET 22 HE2 MET 22 -4.900 -1.659 -4.333 167 HE3 MET 22 HE3 MET 22 -4.700 -2.665 -2.899 168 H ARG 23 H ARG 23 -7.710 -0.446 1.758 169 HA ARG 23 HA ARG 23 -7.767 2.378 2.485 170 HB2 ARG 23 HB2 ARG 23 -8.097 -0.140 4.113 171 HB3 ARG 23 HB3 ARG 23 -8.062 1.464 4.829 172 HG2 ARG 23 HG2 ARG 23 -9.970 2.029 3.229 173 HG3 ARG 23 HG3 ARG 23 -10.094 0.288 2.970 174 HD2 ARG 23 HD2 ARG 23 -10.214 1.583 5.684 175 HD3 ARG 23 HD3 ARG 23 -11.639 1.226 4.713 176 HE ARG 23 HE ARG 23 -10.174 -1.130 4.929 177 HH11 ARG 23 HH11 ARG 23 -11.903 1.074 7.026 178 HH12 ARG 23 HH12 ARG 23 -12.341 -0.155 8.171 179 HH21 ARG 23 HH21 ARG 23 -10.749 -2.753 6.438 180 HH22 ARG 23 HH22 ARG 23 -11.681 -2.325 7.841 181 H PHE 24 H PHE 24 -5.899 -0.449 3.580 182 HA PHE 24 HA PHE 24 -3.674 1.393 4.171 183 HB2 PHE 24 HB2 PHE 24 -3.463 -1.074 5.638 184 HB3 PHE 24 HB3 PHE 24 -3.545 0.572 6.257 185 HD1 PHE 24 HD1 PHE 24 -5.711 -2.081 4.870 186 HD2 PHE 24 HD2 PHE 24 -5.354 1.138 7.610 187 HE1 PHE 24 HE1 PHE 24 -7.938 -2.595 5.733 188 HE2 PHE 24 HE2 PHE 24 -7.592 0.632 8.497 189 HZ PHE 24 HZ PHE 24 -8.892 -1.240 7.565 190 H GLY 25 H GLY 25 -1.540 0.446 4.050 191 HA2 GLY 25 HA2 GLY 25 -1.399 -1.762 2.101 192 HA3 GLY 25 HA3 GLY 25 -0.462 -0.293 1.888 193 H LYS 26 H LYS 26 0.604 -2.912 2.055 194 HA LYS 26 HA LYS 26 2.249 -2.607 4.469 195 HB2 LYS 26 HB2 LYS 26 0.672 -4.532 4.696 196 HB3 LYS 26 HB3 LYS 26 1.383 -5.231 3.251 197 HG2 LYS 26 HG2 LYS 26 3.512 -5.466 4.350 198 HG3 LYS 26 HG3 LYS 26 2.885 -4.659 5.788 199 HD2 LYS 26 HD2 LYS 26 1.298 -6.460 6.135 200 HD3 LYS 26 HD3 LYS 26 1.849 -7.256 4.660 201 HE2 LYS 26 HE2 LYS 26 2.809 -8.237 6.722 202 HE3 LYS 26 HE3 LYS 26 4.028 -7.618 5.609 203 HZ1 LYS 26 HZ1 LYS 26 3.019 -6.157 7.992 204 HZ2 LYS 26 HZ2 LYS 26 4.269 -5.662 6.966 205 HZ3 LYS 26 HZ3 LYS 26 4.466 -7.030 7.937 206 H CYS 27 H CYS 27 4.425 -3.448 4.208 207 HA CYS 27 HA CYS 27 5.332 -2.802 1.515 208 HB2 CYS 27 HB2 CYS 27 6.268 -1.618 3.535 209 HB3 CYS 27 HB3 CYS 27 7.016 -3.144 3.998 210 H ILE 28 H ILE 28 5.446 -4.500 0.202 211 HA ILE 28 HA ILE 28 6.811 -6.903 1.178 212 HB ILE 28 HB ILE 28 4.690 -6.452 -0.912 213 HG12 ILE 28 HG12 ILE 28 4.991 -8.115 1.550 214 HG13 ILE 28 HG13 ILE 28 3.765 -6.919 1.164 215 HG21 ILE 28 HG21 ILE 28 4.932 -8.701 -1.739 216 HG22 ILE 28 HG22 ILE 28 6.305 -8.985 -0.672 217 HG23 ILE 28 HG23 ILE 28 6.440 -7.820 -1.990 218 HD11 ILE 28 HD11 ILE 28 2.933 -8.460 -0.606 219 HD12 ILE 28 HD12 ILE 28 2.744 -9.053 1.046 220 HD13 ILE 28 HD13 ILE 28 4.037 -9.682 0.024 221 H ASN 29 H ASN 29 8.193 -7.934 -0.629 222 HA ASN 29 HA ASN 29 10.349 -6.351 -1.106 223 HB2 ASN 29 HB2 ASN 29 11.165 -7.988 -2.678 224 HB3 ASN 29 HB3 ASN 29 10.317 -8.819 -1.381 225 HD21 ASN 29 HD21 ASN 29 8.367 -9.850 -1.824 226 HD22 ASN 29 HD22 ASN 29 7.859 -10.195 -3.442 227 H GLY 30 H GLY 30 7.591 -6.731 -3.297 228 HA2 GLY 30 HA2 GLY 30 8.315 -4.155 -4.454 229 HA3 GLY 30 HA3 GLY 30 8.186 -5.512 -5.565 230 H LYS 31 H LYS 31 6.090 -5.504 -2.803 231 HA LYS 31 HA LYS 31 3.885 -4.704 -4.580 232 HB2 LYS 31 HB2 LYS 31 3.940 -7.016 -2.642 233 HB3 LYS 31 HB3 LYS 31 2.474 -6.398 -3.379 234 HG2 LYS 31 HG2 LYS 31 3.314 -6.978 -5.581 235 HG3 LYS 31 HG3 LYS 31 4.819 -7.554 -4.863 236 HD2 LYS 31 HD2 LYS 31 3.584 -9.246 -3.615 237 HD3 LYS 31 HD3 LYS 31 2.070 -8.663 -4.305 238 HE2 LYS 31 HE2 LYS 31 2.804 -10.639 -5.490 239 HE3 LYS 31 HE3 LYS 31 2.897 -9.236 -6.550 240 HZ1 LYS 31 HZ1 LYS 31 5.280 -9.117 -6.083 241 HZ2 LYS 31 HZ2 LYS 31 4.853 -10.588 -6.790 242 HZ3 LYS 31 HZ3 LYS 31 5.169 -10.511 -5.132 243 H CYS 32 H CYS 32 2.273 -3.489 -3.674 244 HA CYS 32 HA CYS 32 2.561 -2.801 -0.839 245 HB2 CYS 32 HB2 CYS 32 2.046 -1.051 -2.715 246 HB3 CYS 32 HB3 CYS 32 0.418 -1.714 -2.648 247 H ASP 33 H ASP 33 1.941 -4.786 0.015 248 HA ASP 33 HA ASP 33 -0.446 -6.095 -0.867 249 HB2 ASP 33 HB2 ASP 33 1.334 -7.454 -0.067 250 HB3 ASP 33 HB3 ASP 33 1.445 -6.565 1.443 251 H CYS 34 H CYS 34 -2.211 -4.946 -0.594 252 HA CYS 34 HA CYS 34 -2.554 -3.271 1.749 253 HB2 CYS 34 HB2 CYS 34 -3.982 -3.488 -0.887 254 HB3 CYS 34 HB3 CYS 34 -4.563 -2.463 0.417 255 H THR 35 H THR 35 -4.821 -2.985 2.539 256 HA THR 35 HA THR 35 -6.511 -5.359 2.284 257 HB THR 35 HB THR 35 -6.102 -3.833 4.871 258 HG1 THR 35 HG1 THR 35 -4.847 -6.072 3.796 259 HG21 THR 35 HG21 THR 35 -8.357 -4.911 4.348 260 HG22 THR 35 HG22 THR 35 -7.575 -5.385 5.862 261 HG23 THR 35 HG23 THR 35 -7.512 -6.459 4.465 262 HA PRO 36 HA PRO 36 -9.172 -1.944 1.190 263 HB2 PRO 36 HB2 PRO 36 -11.304 -3.356 0.425 264 HB3 PRO 36 HB3 PRO 36 -9.818 -3.368 -0.523 265 HG2 PRO 36 HG2 PRO 36 -10.835 -5.398 1.427 266 HG3 PRO 36 HG3 PRO 36 -10.098 -5.650 -0.165 267 HD2 PRO 36 HD2 PRO 36 -8.735 -5.877 2.200 268 HD3 PRO 36 HD3 PRO 36 -7.968 -5.462 0.663 269 H LYS 37 H LYS 37 -11.921 -2.044 1.515 270 HA LYS 37 HA LYS 37 -12.144 -1.762 4.384 271 HB2 LYS 37 HB2 LYS 37 -14.223 -0.633 4.031 272 HB3 LYS 37 HB3 LYS 37 -13.066 -0.009 2.874 273 HG2 LYS 37 HG2 LYS 37 -15.189 -2.042 2.232 274 HG3 LYS 37 HG3 LYS 37 -15.352 -0.308 1.977 275 HD2 LYS 37 HD2 LYS 37 -13.376 -0.406 0.474 276 HD3 LYS 37 HD3 LYS 37 -13.368 -2.161 0.661 277 HE2 LYS 37 HE2 LYS 37 -15.601 -0.494 -0.490 278 HE3 LYS 37 HE3 LYS 37 -14.492 -1.519 -1.396 279 HZ1 LYS 37 HZ1 LYS 37 -16.423 -2.474 0.646 280 HZ2 LYS 37 HZ2 LYS 37 -15.385 -3.444 -0.269 281 HZ3 LYS 37 HZ3 LYS 37 -16.628 -2.592 -1.027 Start of MODEL 11 1 H1 VAL 1 H1 VAL 1 -5.599 -9.001 -4.589 2 H2 VAL 1 H2 VAL 1 -6.954 -8.459 -3.738 3 H3 VAL 1 H3 VAL 1 -5.599 -9.027 -2.901 4 HA VAL 1 HA VAL 1 -5.700 -6.609 -4.599 5 HB VAL 1 HB VAL 1 -5.261 -5.401 -2.453 6 HG11 VAL 1 HG11 VAL 1 -7.545 -5.366 -1.727 7 HG12 VAL 1 HG12 VAL 1 -7.854 -6.936 -2.468 8 HG13 VAL 1 HG13 VAL 1 -7.508 -5.532 -3.479 9 HG21 VAL 1 HG21 VAL 1 -4.408 -7.266 -1.146 10 HG22 VAL 1 HG22 VAL 1 -5.983 -8.057 -1.217 11 HG23 VAL 1 HG23 VAL 1 -5.799 -6.535 -0.345 12 H GLY 2 H GLY 2 -3.758 -5.180 -3.636 13 HA2 GLY 2 HA2 GLY 2 -1.438 -5.282 -2.912 14 HA3 GLY 2 HA3 GLY 2 -1.356 -6.891 -3.614 15 H ILE 3 H ILE 3 -0.402 -3.783 -4.082 16 HA ILE 3 HA ILE 3 -0.700 -3.904 -7.010 17 HB ILE 3 HB ILE 3 -0.676 -1.610 -7.094 18 HG12 ILE 3 HG12 ILE 3 0.961 -1.651 -4.553 19 HG13 ILE 3 HG13 ILE 3 1.507 -1.217 -6.165 20 HG21 ILE 3 HG21 ILE 3 -1.990 -0.692 -5.237 21 HG22 ILE 3 HG22 ILE 3 -1.626 -2.126 -4.278 22 HG23 ILE 3 HG23 ILE 3 -2.588 -2.270 -5.748 23 HD11 ILE 3 HD11 ILE 3 -0.352 0.319 -4.390 24 HD12 ILE 3 HD12 ILE 3 -0.050 0.728 -6.077 25 HD13 ILE 3 HD13 ILE 3 1.267 0.777 -4.905 26 H ASN 4 H ASN 4 1.243 -2.710 -8.113 27 HA ASN 4 HA ASN 4 3.714 -3.939 -7.078 28 HB2 ASN 4 HB2 ASN 4 2.991 -4.723 -9.330 29 HB3 ASN 4 HB3 ASN 4 3.082 -3.064 -9.914 30 HD21 ASN 4 HD21 ASN 4 5.100 -2.105 -10.214 31 HD22 ASN 4 HD22 ASN 4 6.558 -3.038 -10.262 32 H VAL 5 H VAL 5 4.907 -2.480 -6.012 33 HA VAL 5 HA VAL 5 5.309 0.180 -7.081 34 HB VAL 5 HB VAL 5 3.056 0.045 -5.765 35 HG11 VAL 5 HG11 VAL 5 3.261 0.459 -3.381 36 HG12 VAL 5 HG12 VAL 5 5.001 0.212 -3.480 37 HG13 VAL 5 HG13 VAL 5 3.898 -1.119 -3.827 38 HG21 VAL 5 HG21 VAL 5 3.250 2.333 -5.066 39 HG22 VAL 5 HG22 VAL 5 4.136 2.122 -6.576 40 HG23 VAL 5 HG23 VAL 5 5.007 2.226 -5.047 41 H ASP 6 H ASP 6 6.411 1.484 -5.078 42 HA ASP 6 HA ASP 6 8.424 -0.324 -3.921 43 HB2 ASP 6 HB2 ASP 6 8.906 2.492 -4.893 44 HB3 ASP 6 HB3 ASP 6 10.091 1.431 -4.151 45 H CYS 7 H CYS 7 7.880 -0.400 -1.866 46 HA CYS 7 HA CYS 7 6.948 1.985 -0.474 47 HB2 CYS 7 HB2 CYS 7 6.996 0.180 1.475 48 HB3 CYS 7 HB3 CYS 7 5.661 0.294 0.348 49 H LYS 8 H LYS 8 7.952 2.875 1.255 50 HA LYS 8 HA LYS 8 10.762 2.224 1.642 51 HB2 LYS 8 HB2 LYS 8 9.078 4.389 2.924 52 HB3 LYS 8 HB3 LYS 8 10.828 4.236 3.029 53 HG2 LYS 8 HG2 LYS 8 11.052 4.650 0.666 54 HG3 LYS 8 HG3 LYS 8 9.300 4.668 0.475 55 HD2 LYS 8 HD2 LYS 8 10.102 6.934 0.506 56 HD3 LYS 8 HD3 LYS 8 9.201 6.627 1.990 57 HE2 LYS 8 HE2 LYS 8 11.260 6.340 3.223 58 HE3 LYS 8 HE3 LYS 8 12.203 6.514 1.743 59 HZ1 LYS 8 HZ1 LYS 8 12.176 8.564 3.011 60 HZ2 LYS 8 HZ2 LYS 8 10.486 8.611 2.961 61 HZ3 LYS 8 HZ3 LYS 8 11.377 8.780 1.536 62 H HIS 9 H HIS 9 7.647 2.030 3.209 63 HA HIS 9 HA HIS 9 8.719 0.122 5.146 64 HB2 HIS 9 HB2 HIS 9 7.030 2.437 6.106 65 HB3 HIS 9 HB3 HIS 9 7.807 1.206 7.089 66 HD1 HIS 9 HD1 HIS 9 8.420 4.399 5.322 67 HD2 HIS 9 HD2 HIS 9 10.583 1.618 7.519 68 HE1 HIS 9 HE1 HIS 9 10.656 5.420 5.660 69 HE2 HIS 9 HE2 HIS 9 11.996 3.708 6.935 70 H SER 10 H SER 10 6.947 -0.946 6.363 71 HA SER 10 HA SER 10 4.663 -1.465 4.662 72 HB2 SER 10 HB2 SER 10 5.777 -3.320 5.834 73 HB3 SER 10 HB3 SER 10 5.415 -2.571 7.385 74 HG SER 10 HG SER 10 3.229 -2.875 6.998 75 H GLY 11 H GLY 11 4.161 0.944 4.982 76 HA2 GLY 11 HA2 GLY 11 1.840 1.169 6.558 77 HA3 GLY 11 HA3 GLY 11 3.172 1.952 7.396 78 H GLN 12 H GLN 12 4.570 3.017 5.242 79 HA GLN 12 HA GLN 12 2.901 5.294 4.699 80 HB2 GLN 12 HB2 GLN 12 4.954 6.189 3.577 81 HB3 GLN 12 HB3 GLN 12 5.149 5.767 5.268 82 HG2 GLN 12 HG2 GLN 12 7.092 5.014 4.209 83 HG3 GLN 12 HG3 GLN 12 6.114 3.577 4.475 84 HE21 GLN 12 HE21 GLN 12 7.065 5.942 2.063 85 HE22 GLN 12 HE22 GLN 12 6.836 4.904 0.696 86 H CYS 13 H CYS 13 2.735 2.493 3.319 87 HA CYS 13 HA CYS 13 2.936 3.247 0.519 88 HB2 CYS 13 HB2 CYS 13 3.493 0.919 1.483 89 HB3 CYS 13 HB3 CYS 13 1.753 0.678 1.574 90 H LEU 14 H LEU 14 1.014 4.250 2.667 91 HA LEU 14 HA LEU 14 -1.614 3.534 2.097 92 HB2 LEU 14 HB2 LEU 14 -0.428 6.101 3.118 93 HB3 LEU 14 HB3 LEU 14 -2.136 5.750 3.124 94 HG LEU 14 HG LEU 14 0.002 4.267 4.640 95 HD11 LEU 14 HD11 LEU 14 -0.504 6.430 5.576 96 HD12 LEU 14 HD12 LEU 14 -1.123 5.148 6.618 97 HD13 LEU 14 HD13 LEU 14 -2.227 6.054 5.581 98 HD21 LEU 14 HD21 LEU 14 -1.630 2.667 4.009 99 HD22 LEU 14 HD22 LEU 14 -2.955 3.761 4.417 100 HD23 LEU 14 HD23 LEU 14 -1.940 3.090 5.693 101 H LYS 15 H LYS 15 0.334 6.198 0.838 102 HA LYS 15 HA LYS 15 -1.604 7.531 -0.569 103 HB2 LYS 15 HB2 LYS 15 0.430 8.628 -0.179 104 HB3 LYS 15 HB3 LYS 15 1.372 7.333 -0.906 105 HG2 LYS 15 HG2 LYS 15 0.402 7.890 -3.070 106 HG3 LYS 15 HG3 LYS 15 -0.440 9.253 -2.338 107 HD2 LYS 15 HD2 LYS 15 2.553 8.873 -2.372 108 HD3 LYS 15 HD3 LYS 15 1.657 9.913 -3.478 109 HE2 LYS 15 HE2 LYS 15 0.884 11.263 -1.608 110 HE3 LYS 15 HE3 LYS 15 1.721 10.201 -0.475 111 HZ1 LYS 15 HZ1 LYS 15 3.020 12.169 -0.895 112 HZ2 LYS 15 HZ2 LYS 15 2.994 11.882 -2.562 113 HZ3 LYS 15 HZ3 LYS 15 3.816 10.821 -1.538 114 HA PRO 16 HA PRO 16 -0.626 5.153 -4.600 115 HB2 PRO 16 HB2 PRO 16 0.782 2.849 -4.523 116 HB3 PRO 16 HB3 PRO 16 1.561 4.426 -4.704 117 HG2 PRO 16 HG2 PRO 16 1.224 2.741 -2.256 118 HG3 PRO 16 HG3 PRO 16 2.657 3.630 -2.812 119 HD2 PRO 16 HD2 PRO 16 1.003 4.590 -0.883 120 HD3 PRO 16 HD3 PRO 16 1.876 5.650 -2.006 121 H CYS 17 H CYS 17 -1.048 3.307 -1.670 122 HA CYS 17 HA CYS 17 -2.657 1.241 -2.767 123 HB2 CYS 17 HB2 CYS 17 -1.465 1.075 -0.597 124 HB3 CYS 17 HB3 CYS 17 -2.550 2.290 0.070 125 H LYS 18 H LYS 18 -3.279 4.427 -1.446 126 HA LYS 18 HA LYS 18 -6.120 4.223 -1.415 127 HB2 LYS 18 HB2 LYS 18 -5.023 5.840 -0.022 128 HB3 LYS 18 HB3 LYS 18 -4.199 6.551 -1.400 129 HG2 LYS 18 HG2 LYS 18 -6.374 7.311 -2.268 130 HG3 LYS 18 HG3 LYS 18 -7.150 6.655 -0.823 131 HD2 LYS 18 HD2 LYS 18 -5.931 8.153 0.589 132 HD3 LYS 18 HD3 LYS 18 -4.935 8.689 -0.766 133 HE2 LYS 18 HE2 LYS 18 -7.911 9.115 -0.482 134 HE3 LYS 18 HE3 LYS 18 -6.671 10.331 -0.186 135 HZ1 LYS 18 HZ1 LYS 18 -7.226 9.005 -2.783 136 HZ2 LYS 18 HZ2 LYS 18 -6.001 10.139 -2.514 137 HZ3 LYS 18 HZ3 LYS 18 -7.624 10.596 -2.376 138 H LYS 19 H LYS 19 -3.696 5.313 -3.709 139 HA LYS 19 HA LYS 19 -5.452 6.328 -5.672 140 HB2 LYS 19 HB2 LYS 19 -2.966 6.697 -5.570 141 HB3 LYS 19 HB3 LYS 19 -2.751 5.042 -6.117 142 HG2 LYS 19 HG2 LYS 19 -3.996 5.597 -8.175 143 HG3 LYS 19 HG3 LYS 19 -4.088 7.273 -7.630 144 HD2 LYS 19 HD2 LYS 19 -1.620 7.357 -7.579 145 HD3 LYS 19 HD3 LYS 19 -1.573 5.709 -8.207 146 HE2 LYS 19 HE2 LYS 19 -2.869 6.505 -10.183 147 HE3 LYS 19 HE3 LYS 19 -2.695 8.148 -9.573 148 HZ1 LYS 19 HZ1 LYS 19 -0.474 6.332 -10.335 149 HZ2 LYS 19 HZ2 LYS 19 -0.288 7.897 -9.725 150 HZ3 LYS 19 HZ3 LYS 19 -1.024 7.658 -11.228 151 H ALA 20 H ALA 20 -4.301 3.126 -4.873 152 HA ALA 20 HA ALA 20 -5.398 1.856 -7.197 153 HB1 ALA 20 HB1 ALA 20 -3.479 0.938 -5.896 154 HB2 ALA 20 HB2 ALA 20 -4.797 -0.212 -6.130 155 HB3 ALA 20 HB3 ALA 20 -4.600 0.597 -4.577 156 H GLY 21 H GLY 21 -6.363 2.218 -3.798 157 HA2 GLY 21 HA2 GLY 21 -8.755 2.944 -3.636 158 HA3 GLY 21 HA3 GLY 21 -9.111 1.560 -4.648 159 H MET 22 H MET 22 -6.708 1.279 -2.142 160 HA MET 22 HA MET 22 -8.673 -0.283 -0.597 161 HB2 MET 22 HB2 MET 22 -5.707 -0.758 -0.868 162 HB3 MET 22 HB3 MET 22 -6.733 -1.589 0.288 163 HG2 MET 22 HG2 MET 22 -6.560 -3.086 -1.467 164 HG3 MET 22 HG3 MET 22 -8.116 -2.308 -1.738 165 HE1 MET 22 HE1 MET 22 -4.408 -2.612 -2.809 166 HE2 MET 22 HE2 MET 22 -4.480 -0.880 -2.481 167 HE3 MET 22 HE3 MET 22 -4.275 -1.457 -4.135 168 H ARG 23 H ARG 23 -7.602 -0.635 1.787 169 HA ARG 23 HA ARG 23 -7.838 2.064 2.821 170 HB2 ARG 23 HB2 ARG 23 -7.863 -0.648 4.129 171 HB3 ARG 23 HB3 ARG 23 -7.870 0.831 5.069 172 HG2 ARG 23 HG2 ARG 23 -9.932 1.497 3.778 173 HG3 ARG 23 HG3 ARG 23 -9.945 -0.150 3.151 174 HD2 ARG 23 HD2 ARG 23 -9.906 0.451 6.090 175 HD3 ARG 23 HD3 ARG 23 -11.403 0.306 5.173 176 HE ARG 23 HE ARG 23 -10.014 -1.967 4.578 177 HH11 ARG 23 HH11 ARG 23 -11.126 -0.476 7.547 178 HH12 ARG 23 HH12 ARG 23 -11.338 -1.991 8.366 179 HH21 ARG 23 HH21 ARG 23 -10.268 -3.926 5.653 180 HH22 ARG 23 HH22 ARG 23 -10.837 -3.957 7.295 181 H PHE 24 H PHE 24 -5.695 -0.599 3.805 182 HA PHE 24 HA PHE 24 -3.607 1.412 4.352 183 HB2 PHE 24 HB2 PHE 24 -3.302 -1.153 5.716 184 HB3 PHE 24 HB3 PHE 24 -3.250 0.480 6.388 185 HD1 PHE 24 HD1 PHE 24 -5.444 -2.232 5.332 186 HD2 PHE 24 HD2 PHE 24 -5.125 1.343 7.578 187 HE1 PHE 24 HE1 PHE 24 -7.666 -2.657 6.273 188 HE2 PHE 24 HE2 PHE 24 -7.352 0.936 8.552 189 HZ PHE 24 HZ PHE 24 -8.625 -1.071 7.905 190 H GLY 25 H GLY 25 -1.376 0.549 4.173 191 HA2 GLY 25 HA2 GLY 25 -1.189 -1.533 2.099 192 HA3 GLY 25 HA3 GLY 25 -0.442 0.037 1.840 193 H LYS 26 H LYS 26 0.268 -3.003 2.567 194 HA LYS 26 HA LYS 26 2.357 -2.384 4.519 195 HB2 LYS 26 HB2 LYS 26 1.212 -4.995 3.532 196 HB3 LYS 26 HB3 LYS 26 2.649 -4.900 4.542 197 HG2 LYS 26 HG2 LYS 26 1.345 -3.784 6.282 198 HG3 LYS 26 HG3 LYS 26 -0.097 -3.914 5.277 199 HD2 LYS 26 HD2 LYS 26 -0.006 -5.673 6.983 200 HD3 LYS 26 HD3 LYS 26 0.042 -6.338 5.353 201 HE2 LYS 26 HE2 LYS 26 1.622 -7.449 6.875 202 HE3 LYS 26 HE3 LYS 26 2.428 -6.671 5.516 203 HZ1 LYS 26 HZ1 LYS 26 2.183 -5.472 8.220 204 HZ2 LYS 26 HZ2 LYS 26 3.091 -4.873 6.925 205 HZ3 LYS 26 HZ3 LYS 26 3.540 -6.320 7.673 206 H CYS 27 H CYS 27 4.453 -3.630 4.100 207 HA CYS 27 HA CYS 27 5.171 -3.073 1.304 208 HB2 CYS 27 HB2 CYS 27 6.274 -1.673 3.079 209 HB3 CYS 27 HB3 CYS 27 7.059 -3.140 3.658 210 H ILE 28 H ILE 28 5.455 -4.775 0.111 211 HA ILE 28 HA ILE 28 6.817 -7.112 1.250 212 HB ILE 28 HB ILE 28 4.505 -7.015 -0.720 213 HG12 ILE 28 HG12 ILE 28 4.836 -7.977 2.100 214 HG13 ILE 28 HG13 ILE 28 3.665 -6.835 1.457 215 HG21 ILE 28 HG21 ILE 28 4.598 -9.438 -0.826 216 HG22 ILE 28 HG22 ILE 28 6.056 -9.445 0.170 217 HG23 ILE 28 HG23 ILE 28 6.092 -8.734 -1.444 218 HD11 ILE 28 HD11 ILE 28 2.614 -8.703 0.217 219 HD12 ILE 28 HD12 ILE 28 2.541 -8.872 1.969 220 HD13 ILE 28 HD13 ILE 28 3.710 -9.809 1.040 221 H ASN 29 H ASN 29 7.764 -8.391 -0.825 222 HA ASN 29 HA ASN 29 9.855 -6.771 -1.728 223 HB2 ASN 29 HB2 ASN 29 10.600 -8.700 -3.007 224 HB3 ASN 29 HB3 ASN 29 10.033 -9.195 -1.419 225 HD21 ASN 29 HD21 ASN 29 7.228 -8.638 -2.677 226 HD22 ASN 29 HD22 ASN 29 6.880 -10.140 -3.469 227 H GLY 30 H GLY 30 8.253 -5.099 -2.592 228 HA2 GLY 30 HA2 GLY 30 8.262 -3.817 -4.609 229 HA3 GLY 30 HA3 GLY 30 8.262 -5.322 -5.522 230 H LYS 31 H LYS 31 6.172 -5.511 -2.895 231 HA LYS 31 HA LYS 31 3.890 -4.979 -4.653 232 HB2 LYS 31 HB2 LYS 31 4.169 -7.334 -4.560 233 HB3 LYS 31 HB3 LYS 31 4.498 -7.302 -2.837 234 HG2 LYS 31 HG2 LYS 31 2.127 -6.431 -2.591 235 HG3 LYS 31 HG3 LYS 31 1.885 -6.984 -4.252 236 HD2 LYS 31 HD2 LYS 31 2.880 -8.683 -1.972 237 HD3 LYS 31 HD3 LYS 31 1.219 -8.675 -2.572 238 HE2 LYS 31 HE2 LYS 31 3.654 -9.411 -4.198 239 HE3 LYS 31 HE3 LYS 31 2.567 -10.567 -3.434 240 HZ1 LYS 31 HZ1 LYS 31 0.766 -9.717 -4.804 241 HZ2 LYS 31 HZ2 LYS 31 2.037 -10.274 -5.762 242 HZ3 LYS 31 HZ3 LYS 31 1.813 -8.616 -5.544 243 H CYS 32 H CYS 32 2.427 -3.606 -3.773 244 HA CYS 32 HA CYS 32 2.595 -3.020 -0.918 245 HB2 CYS 32 HB2 CYS 32 2.169 -1.235 -2.777 246 HB3 CYS 32 HB3 CYS 32 0.530 -1.868 -2.778 247 H ASP 33 H ASP 33 1.884 -4.975 -0.053 248 HA ASP 33 HA ASP 33 -0.645 -6.081 -0.837 249 HB2 ASP 33 HB2 ASP 33 1.044 -7.579 -0.018 250 HB3 ASP 33 HB3 ASP 33 1.201 -6.682 1.484 251 H CYS 34 H CYS 34 -2.371 -4.959 -0.473 252 HA CYS 34 HA CYS 34 -2.590 -3.290 1.916 253 HB2 CYS 34 HB2 CYS 34 -4.085 -3.330 -0.703 254 HB3 CYS 34 HB3 CYS 34 -4.535 -2.304 0.653 255 H THR 35 H THR 35 -4.758 -3.107 2.909 256 HA THR 35 HA THR 35 -6.384 -5.535 2.591 257 HB THR 35 HB THR 35 -6.317 -3.652 4.961 258 HG1 THR 35 HG1 THR 35 -5.097 -6.165 4.472 259 HG21 THR 35 HG21 THR 35 -8.485 -4.861 4.396 260 HG22 THR 35 HG22 THR 35 -7.839 -5.118 6.021 261 HG23 THR 35 HG23 THR 35 -7.626 -6.354 4.782 262 HA PRO 36 HA PRO 36 -9.121 -2.546 0.763 263 HB2 PRO 36 HB2 PRO 36 -10.991 -4.241 -0.103 264 HB3 PRO 36 HB3 PRO 36 -9.374 -4.219 -0.814 265 HG2 PRO 36 HG2 PRO 36 -10.540 -6.108 1.189 266 HG3 PRO 36 HG3 PRO 36 -9.509 -6.454 -0.210 267 HD2 PRO 36 HD2 PRO 36 -8.606 -6.240 2.392 268 HD3 PRO 36 HD3 PRO 36 -7.596 -6.020 0.955 269 H LYS 37 H LYS 37 -11.876 -2.877 0.741 270 HA LYS 37 HA LYS 37 -12.487 -2.150 3.482 271 HB2 LYS 37 HB2 LYS 37 -13.945 -1.882 0.883 272 HB3 LYS 37 HB3 LYS 37 -14.840 -1.777 2.390 273 HG2 LYS 37 HG2 LYS 37 -14.328 0.434 1.759 274 HG3 LYS 37 HG3 LYS 37 -13.241 0.036 3.088 275 HD2 LYS 37 HD2 LYS 37 -11.765 1.019 1.644 276 HD3 LYS 37 HD3 LYS 37 -11.633 -0.658 1.117 277 HE2 LYS 37 HE2 LYS 37 -13.407 1.428 -0.149 278 HE3 LYS 37 HE3 LYS 37 -11.834 0.932 -0.762 279 HZ1 LYS 37 HZ1 LYS 37 -12.707 -1.310 -1.050 280 HZ2 LYS 37 HZ2 LYS 37 -13.601 -0.181 -1.935 281 HZ3 LYS 37 HZ3 LYS 37 -14.222 -0.806 -0.496 Start of MODEL 12 1 H1 VAL 1 H1 VAL 1 -5.896 -9.341 -3.692 2 H2 VAL 1 H2 VAL 1 -4.586 -9.478 -2.628 3 H3 VAL 1 H3 VAL 1 -4.358 -9.718 -4.283 4 HA VAL 1 HA VAL 1 -4.872 -7.442 -4.748 5 HB VAL 1 HB VAL 1 -4.944 -5.850 -2.764 6 HG11 VAL 1 HG11 VAL 1 -7.320 -5.999 -2.541 7 HG12 VAL 1 HG12 VAL 1 -7.309 -7.693 -3.035 8 HG13 VAL 1 HG13 VAL 1 -6.891 -6.433 -4.196 9 HG21 VAL 1 HG21 VAL 1 -4.234 -7.331 -1.008 10 HG22 VAL 1 HG22 VAL 1 -5.590 -8.414 -1.317 11 HG23 VAL 1 HG23 VAL 1 -5.881 -6.797 -0.674 12 H GLY 2 H GLY 2 -3.369 -5.499 -3.848 13 HA2 GLY 2 HA2 GLY 2 -1.177 -5.117 -2.819 14 HA3 GLY 2 HA3 GLY 2 -0.749 -6.749 -3.319 15 H ILE 3 H ILE 3 -0.477 -3.542 -4.082 16 HA ILE 3 HA ILE 3 -0.700 -3.848 -6.962 17 HB ILE 3 HB ILE 3 -0.450 -1.487 -7.093 18 HG12 ILE 3 HG12 ILE 3 0.385 -1.557 -4.189 19 HG13 ILE 3 HG13 ILE 3 1.485 -1.338 -5.541 20 HG21 ILE 3 HG21 ILE 3 -2.152 -0.711 -5.415 21 HG22 ILE 3 HG22 ILE 3 -2.053 -2.303 -4.673 22 HG23 ILE 3 HG23 ILE 3 -2.621 -2.136 -6.335 23 HD11 ILE 3 HD11 ILE 3 -0.570 0.529 -4.473 24 HD12 ILE 3 HD12 ILE 3 0.064 0.712 -6.104 25 HD13 ILE 3 HD13 ILE 3 1.151 0.800 -4.716 26 H ASN 4 H ASN 4 1.122 -2.473 -8.124 27 HA ASN 4 HA ASN 4 3.626 -3.847 -7.438 28 HB2 ASN 4 HB2 ASN 4 2.709 -4.396 -9.666 29 HB3 ASN 4 HB3 ASN 4 2.733 -2.688 -10.094 30 HD21 ASN 4 HD21 ASN 4 4.670 -1.708 -10.595 31 HD22 ASN 4 HD22 ASN 4 6.125 -2.599 -10.870 32 H VAL 5 H VAL 5 4.520 -2.437 -6.041 33 HA VAL 5 HA VAL 5 5.323 0.170 -7.071 34 HB VAL 5 HB VAL 5 3.071 0.225 -5.722 35 HG11 VAL 5 HG11 VAL 5 3.369 0.492 -3.331 36 HG12 VAL 5 HG12 VAL 5 5.070 0.072 -3.484 37 HG13 VAL 5 HG13 VAL 5 3.827 -1.120 -3.866 38 HG21 VAL 5 HG21 VAL 5 3.589 2.434 -4.835 39 HG22 VAL 5 HG22 VAL 5 4.275 2.225 -6.447 40 HG23 VAL 5 HG23 VAL 5 5.313 2.122 -5.028 41 H ASP 6 H ASP 6 6.624 1.194 -4.986 42 HA ASP 6 HA ASP 6 8.352 -0.960 -3.989 43 HB2 ASP 6 HB2 ASP 6 9.409 1.631 -5.106 44 HB3 ASP 6 HB3 ASP 6 10.338 0.255 -4.523 45 H CYS 7 H CYS 7 7.930 -0.852 -1.920 46 HA CYS 7 HA CYS 7 7.642 1.733 -0.602 47 HB2 CYS 7 HB2 CYS 7 7.099 0.229 1.411 48 HB3 CYS 7 HB3 CYS 7 5.927 0.335 0.115 49 H LYS 8 H LYS 8 9.197 2.620 0.559 50 HA LYS 8 HA LYS 8 11.447 1.017 1.463 51 HB2 LYS 8 HB2 LYS 8 10.824 3.928 2.007 52 HB3 LYS 8 HB3 LYS 8 12.359 3.116 2.277 53 HG2 LYS 8 HG2 LYS 8 12.654 2.804 -0.101 54 HG3 LYS 8 HG3 LYS 8 11.068 3.516 -0.408 55 HD2 LYS 8 HD2 LYS 8 11.796 5.642 0.435 56 HD3 LYS 8 HD3 LYS 8 13.329 4.954 0.964 57 HE2 LYS 8 HE2 LYS 8 13.876 4.453 -1.393 58 HE3 LYS 8 HE3 LYS 8 12.375 5.238 -1.881 59 HZ1 LYS 8 HZ1 LYS 8 13.185 7.296 -0.895 60 HZ2 LYS 8 HZ2 LYS 8 14.248 6.739 -2.082 61 HZ3 LYS 8 HZ3 LYS 8 14.630 6.537 -0.449 62 H HIS 9 H HIS 9 8.382 2.063 2.444 63 HA HIS 9 HA HIS 9 8.668 0.818 5.063 64 HB2 HIS 9 HB2 HIS 9 7.361 3.523 5.005 65 HB3 HIS 9 HB3 HIS 9 7.970 2.630 6.387 66 HD1 HIS 9 HD1 HIS 9 9.041 4.885 3.613 67 HD2 HIS 9 HD2 HIS 9 10.668 3.083 6.988 68 HE1 HIS 9 HE1 HIS 9 11.291 5.907 3.892 69 HE2 HIS 9 HE2 HIS 9 12.311 4.759 5.894 70 H SER 10 H SER 10 6.461 0.658 6.111 71 HA SER 10 HA SER 10 4.493 -0.043 4.122 72 HB2 SER 10 HB2 SER 10 3.150 -0.692 6.172 73 HB3 SER 10 HB3 SER 10 4.700 -1.513 5.996 74 HG SER 10 HG SER 10 4.033 -0.463 8.133 75 H GLY 11 H GLY 11 5.188 2.688 6.108 76 HA2 GLY 11 HA2 GLY 11 2.566 3.775 6.285 77 HA3 GLY 11 HA3 GLY 11 4.068 4.648 6.533 78 H GLN 12 H GLN 12 5.213 4.263 3.989 79 HA GLN 12 HA GLN 12 3.750 6.227 2.481 80 HB2 GLN 12 HB2 GLN 12 5.614 6.116 0.903 81 HB3 GLN 12 HB3 GLN 12 6.199 6.277 2.554 82 HG2 GLN 12 HG2 GLN 12 6.757 3.947 2.640 83 HG3 GLN 12 HG3 GLN 12 6.038 3.676 1.051 84 HE21 GLN 12 HE21 GLN 12 7.109 4.459 -0.786 85 HE22 GLN 12 HE22 GLN 12 8.784 4.897 -0.742 86 H CYS 13 H CYS 13 3.236 3.081 2.856 87 HA CYS 13 HA CYS 13 2.762 2.311 0.104 88 HB2 CYS 13 HB2 CYS 13 3.558 0.681 1.795 89 HB3 CYS 13 HB3 CYS 13 2.076 0.920 2.707 90 H LEU 14 H LEU 14 1.179 3.950 2.585 91 HA LEU 14 HA LEU 14 -1.505 3.193 2.187 92 HB2 LEU 14 HB2 LEU 14 -0.401 5.827 3.157 93 HB3 LEU 14 HB3 LEU 14 -2.039 5.261 3.375 94 HG LEU 14 HG LEU 14 0.454 4.129 4.633 95 HD11 LEU 14 HD11 LEU 14 -0.358 6.162 5.674 96 HD12 LEU 14 HD12 LEU 14 -0.632 4.773 6.725 97 HD13 LEU 14 HD13 LEU 14 -1.972 5.467 5.812 98 HD21 LEU 14 HD21 LEU 14 -0.926 2.268 4.111 99 HD22 LEU 14 HD22 LEU 14 -2.373 3.105 4.679 100 HD23 LEU 14 HD23 LEU 14 -1.130 2.617 5.829 101 H LYS 15 H LYS 15 0.251 6.065 1.099 102 HA LYS 15 HA LYS 15 -1.716 7.386 -0.203 103 HB2 LYS 15 HB2 LYS 15 0.409 8.374 0.297 104 HB3 LYS 15 HB3 LYS 15 1.238 7.255 -0.775 105 HG2 LYS 15 HG2 LYS 15 1.129 9.199 -2.012 106 HG3 LYS 15 HG3 LYS 15 -0.222 8.234 -2.592 107 HD2 LYS 15 HD2 LYS 15 -0.980 10.494 -2.320 108 HD3 LYS 15 HD3 LYS 15 -1.718 9.501 -1.062 109 HE2 LYS 15 HE2 LYS 15 -0.910 11.662 -0.205 110 HE3 LYS 15 HE3 LYS 15 -0.103 10.294 0.556 111 HZ1 LYS 15 HZ1 LYS 15 1.011 11.938 -1.649 112 HZ2 LYS 15 HZ2 LYS 15 1.792 10.642 -0.898 113 HZ3 LYS 15 HZ3 LYS 15 1.458 12.047 -0.024 114 HA PRO 16 HA PRO 16 -0.685 5.395 -4.437 115 HB2 PRO 16 HB2 PRO 16 0.695 3.065 -4.548 116 HB3 PRO 16 HB3 PRO 16 1.480 4.647 -4.600 117 HG2 PRO 16 HG2 PRO 16 1.149 2.761 -2.308 118 HG3 PRO 16 HG3 PRO 16 2.565 3.724 -2.772 119 HD2 PRO 16 HD2 PRO 16 0.876 4.467 -0.773 120 HD3 PRO 16 HD3 PRO 16 1.753 5.635 -1.776 121 H CYS 17 H CYS 17 -1.266 3.205 -1.739 122 HA CYS 17 HA CYS 17 -2.896 1.443 -3.272 123 HB2 CYS 17 HB2 CYS 17 -2.047 1.727 -0.445 124 HB3 CYS 17 HB3 CYS 17 -3.498 0.808 -0.776 125 H LYS 18 H LYS 18 -3.362 4.332 -1.389 126 HA LYS 18 HA LYS 18 -6.229 4.145 -1.363 127 HB2 LYS 18 HB2 LYS 18 -4.331 6.452 -0.916 128 HB3 LYS 18 HB3 LYS 18 -6.081 6.610 -0.806 129 HG2 LYS 18 HG2 LYS 18 -6.099 4.920 0.980 130 HG3 LYS 18 HG3 LYS 18 -4.338 4.834 0.890 131 HD2 LYS 18 HD2 LYS 18 -4.192 7.198 1.490 132 HD3 LYS 18 HD3 LYS 18 -5.952 7.292 1.566 133 HE2 LYS 18 HE2 LYS 18 -5.950 5.615 3.356 134 HE3 LYS 18 HE3 LYS 18 -4.189 5.561 3.294 135 HZ1 LYS 18 HZ1 LYS 18 -4.091 7.842 3.982 136 HZ2 LYS 18 HZ2 LYS 18 -5.053 6.987 5.079 137 HZ3 LYS 18 HZ3 LYS 18 -5.775 7.987 3.925 138 H LYS 19 H LYS 19 -3.789 5.209 -3.538 139 HA LYS 19 HA LYS 19 -5.492 6.557 -5.387 140 HB2 LYS 19 HB2 LYS 19 -3.006 6.812 -5.296 141 HB3 LYS 19 HB3 LYS 19 -2.850 5.164 -5.878 142 HG2 LYS 19 HG2 LYS 19 -3.942 5.781 -7.963 143 HG3 LYS 19 HG3 LYS 19 -4.139 7.434 -7.375 144 HD2 LYS 19 HD2 LYS 19 -1.680 7.614 -7.172 145 HD3 LYS 19 HD3 LYS 19 -1.531 5.999 -7.865 146 HE2 LYS 19 HE2 LYS 19 -2.795 8.375 -9.224 147 HE3 LYS 19 HE3 LYS 19 -1.167 7.778 -9.528 148 HZ1 LYS 19 HZ1 LYS 19 -2.696 6.982 -11.193 149 HZ2 LYS 19 HZ2 LYS 19 -3.690 6.295 -10.013 150 HZ3 LYS 19 HZ3 LYS 19 -2.134 5.682 -10.269 151 H ALA 20 H ALA 20 -4.382 3.266 -4.898 152 HA ALA 20 HA ALA 20 -5.548 2.173 -7.250 153 HB1 ALA 20 HB1 ALA 20 -3.674 1.124 -5.982 154 HB2 ALA 20 HB2 ALA 20 -5.016 0.028 -6.313 155 HB3 ALA 20 HB3 ALA 20 -4.824 0.725 -4.705 156 H GLY 21 H GLY 21 -6.532 2.145 -3.819 157 HA2 GLY 21 HA2 GLY 21 -9.026 2.807 -3.721 158 HA3 GLY 21 HA3 GLY 21 -9.231 1.355 -4.684 159 H MET 22 H MET 22 -6.754 1.301 -2.297 160 HA MET 22 HA MET 22 -8.426 -0.495 -0.701 161 HB2 MET 22 HB2 MET 22 -5.438 -0.280 -0.988 162 HB3 MET 22 HB3 MET 22 -6.192 -1.217 0.294 163 HG2 MET 22 HG2 MET 22 -5.691 -2.747 -1.408 164 HG3 MET 22 HG3 MET 22 -7.429 -2.459 -1.505 165 HE1 MET 22 HE1 MET 22 -7.583 -3.483 -3.920 166 HE2 MET 22 HE2 MET 22 -5.862 -3.860 -3.845 167 HE3 MET 22 HE3 MET 22 -6.521 -3.025 -5.250 168 H ARG 23 H ARG 23 -7.445 -0.574 1.726 169 HA ARG 23 HA ARG 23 -8.011 2.153 2.666 170 HB2 ARG 23 HB2 ARG 23 -8.187 -0.534 4.022 171 HB3 ARG 23 HB3 ARG 23 -8.394 0.978 4.890 172 HG2 ARG 23 HG2 ARG 23 -10.211 1.508 3.191 173 HG3 ARG 23 HG3 ARG 23 -10.100 -0.190 2.738 174 HD2 ARG 23 HD2 ARG 23 -10.561 0.689 5.568 175 HD3 ARG 23 HD3 ARG 23 -11.883 0.419 4.434 176 HE ARG 23 HE ARG 23 -10.456 -1.880 4.284 177 HH11 ARG 23 HH11 ARG 23 -11.856 -0.068 6.930 178 HH12 ARG 23 HH12 ARG 23 -12.113 -1.468 7.920 179 HH21 ARG 23 HH21 ARG 23 -10.775 -3.716 5.590 180 HH22 ARG 23 HH22 ARG 23 -11.485 -3.544 7.163 181 H PHE 24 H PHE 24 -5.881 -0.539 3.536 182 HA PHE 24 HA PHE 24 -4.121 1.366 4.928 183 HB2 PHE 24 HB2 PHE 24 -3.825 -1.586 5.250 184 HB3 PHE 24 HB3 PHE 24 -3.614 -0.303 6.441 185 HD1 PHE 24 HD2 PHE 24 -5.578 0.631 7.609 186 HD2 PHE 24 HD1 PHE 24 -5.905 -2.582 4.855 187 HE1 PHE 24 HE2 PHE 24 -7.842 0.142 8.446 188 HE2 PHE 24 HE1 PHE 24 -8.161 -3.077 5.677 189 HZ PHE 24 HZ PHE 24 -9.133 -1.717 7.488 190 H GLY 25 H GLY 25 -1.848 -0.304 5.031 191 HA2 GLY 25 HA2 GLY 25 -1.178 -1.140 2.357 192 HA3 GLY 25 HA3 GLY 25 -0.365 0.339 2.858 193 H LYS 26 H LYS 26 0.480 -2.546 2.310 194 HA LYS 26 HA LYS 26 2.147 -2.830 4.715 195 HB2 LYS 26 HB2 LYS 26 0.228 -4.517 4.553 196 HB3 LYS 26 HB3 LYS 26 1.062 -5.147 3.144 197 HG2 LYS 26 HG2 LYS 26 3.059 -5.532 4.603 198 HG3 LYS 26 HG3 LYS 26 2.025 -5.146 5.983 199 HD2 LYS 26 HD2 LYS 26 1.571 -7.354 3.973 200 HD3 LYS 26 HD3 LYS 26 2.125 -7.559 5.636 201 HE2 LYS 26 HE2 LYS 26 0.038 -6.828 6.507 202 HE3 LYS 26 HE3 LYS 26 -0.500 -6.268 4.927 203 HZ1 LYS 26 HZ1 LYS 26 -0.570 -8.534 4.157 204 HZ2 LYS 26 HZ2 LYS 26 -1.515 -8.377 5.551 205 HZ3 LYS 26 HZ3 LYS 26 0.011 -9.099 5.643 206 H CYS 27 H CYS 27 4.234 -3.556 4.281 207 HA CYS 27 HA CYS 27 5.022 -3.059 1.512 208 HB2 CYS 27 HB2 CYS 27 6.060 -1.738 3.382 209 HB3 CYS 27 HB3 CYS 27 6.810 -3.229 3.942 210 H ILE 28 H ILE 28 5.206 -4.798 0.274 211 HA ILE 28 HA ILE 28 6.345 -7.232 1.447 212 HB ILE 28 HB ILE 28 4.376 -6.761 -0.781 213 HG12 ILE 28 HG12 ILE 28 4.431 -8.272 1.794 214 HG13 ILE 28 HG13 ILE 28 3.309 -7.029 1.264 215 HG21 ILE 28 HG21 ILE 28 4.496 -9.070 -1.461 216 HG22 ILE 28 HG22 ILE 28 5.785 -9.382 -0.299 217 HG23 ILE 28 HG23 ILE 28 6.076 -8.315 -1.673 218 HD11 ILE 28 HD11 ILE 28 2.458 -8.630 -0.437 219 HD12 ILE 28 HD12 ILE 28 2.158 -9.101 1.237 220 HD13 ILE 28 HD13 ILE 28 3.451 -9.874 0.319 221 H ASN 29 H ASN 29 7.733 -8.468 -0.200 222 HA ASN 29 HA ASN 29 10.019 -7.054 -0.620 223 HB2 ASN 29 HB2 ASN 29 10.815 -8.855 -2.056 224 HB3 ASN 29 HB3 ASN 29 9.928 -9.503 -0.682 225 HD21 ASN 29 HD21 ASN 29 7.925 -10.473 -1.021 226 HD22 ASN 29 HD22 ASN 29 7.402 -10.959 -2.597 227 H GLY 30 H GLY 30 7.410 -7.439 -2.995 228 HA2 GLY 30 HA2 GLY 30 8.522 -5.063 -4.317 229 HA3 GLY 30 HA3 GLY 30 8.148 -6.473 -5.292 230 H LYS 31 H LYS 31 6.016 -5.975 -2.632 231 HA LYS 31 HA LYS 31 4.044 -4.863 -4.519 232 HB2 LYS 31 HB2 LYS 31 3.686 -7.135 -2.574 233 HB3 LYS 31 HB3 LYS 31 2.337 -6.275 -3.296 234 HG2 LYS 31 HG2 LYS 31 3.033 -6.984 -5.501 235 HG3 LYS 31 HG3 LYS 31 4.444 -7.792 -4.814 236 HD2 LYS 31 HD2 LYS 31 2.957 -9.240 -3.501 237 HD3 LYS 31 HD3 LYS 31 1.559 -8.450 -4.230 238 HE2 LYS 31 HE2 LYS 31 2.284 -9.217 -6.438 239 HE3 LYS 31 HE3 LYS 31 3.674 -10.015 -5.702 240 HZ1 LYS 31 HZ1 LYS 31 1.875 -11.569 -6.110 241 HZ2 LYS 31 HZ2 LYS 31 0.827 -10.650 -5.156 242 HZ3 LYS 31 HZ3 LYS 31 2.158 -11.416 -4.450 243 H CYS 32 H CYS 32 2.378 -3.614 -3.620 244 HA CYS 32 HA CYS 32 2.643 -2.986 -0.764 245 HB2 CYS 32 HB2 CYS 32 1.863 -1.382 -3.058 246 HB3 CYS 32 HB3 CYS 32 0.598 -1.392 -1.834 247 H ASP 33 H ASP 33 1.760 -4.878 -0.011 248 HA ASP 33 HA ASP 33 -0.755 -5.869 -0.982 249 HB2 ASP 33 HB2 ASP 33 0.834 -7.466 -0.187 250 HB3 ASP 33 HB3 ASP 33 1.004 -6.629 1.352 251 H CYS 34 H CYS 34 -2.240 -4.294 -0.695 252 HA CYS 34 HA CYS 34 -2.674 -3.300 2.032 253 HB2 CYS 34 HB2 CYS 34 -3.547 -2.062 -0.580 254 HB3 CYS 34 HB3 CYS 34 -3.620 -1.325 1.019 255 H THR 35 H THR 35 -4.734 -3.327 2.905 256 HA THR 35 HA THR 35 -6.562 -5.186 1.574 257 HB THR 35 HB THR 35 -6.560 -4.194 4.436 258 HG1 THR 35 HG1 THR 35 -4.851 -5.740 3.635 259 HG21 THR 35 HG21 THR 35 -8.799 -4.829 3.457 260 HG22 THR 35 HG22 THR 35 -8.299 -5.758 4.873 261 HG23 THR 35 HG23 THR 35 -8.159 -6.462 3.262 262 HA PRO 36 HA PRO 36 -8.997 -1.627 0.617 263 HB2 PRO 36 HB2 PRO 36 -10.884 -2.840 -0.821 264 HB3 PRO 36 HB3 PRO 36 -9.233 -2.713 -1.413 265 HG2 PRO 36 HG2 PRO 36 -10.637 -5.047 -0.209 266 HG3 PRO 36 HG3 PRO 36 -9.452 -5.003 -1.524 267 HD2 PRO 36 HD2 PRO 36 -8.903 -5.644 1.131 268 HD3 PRO 36 HD3 PRO 36 -7.704 -5.164 -0.083 269 H LYS 37 H LYS 37 -11.698 -1.658 0.289 270 HA LYS 37 HA LYS 37 -12.597 -1.523 3.009 271 HB2 LYS 37 HB2 LYS 37 -13.956 -1.002 0.379 272 HB3 LYS 37 HB3 LYS 37 -14.833 -0.955 1.894 273 HG2 LYS 37 HG2 LYS 37 -14.295 1.268 1.392 274 HG3 LYS 37 HG3 LYS 37 -13.169 0.784 2.656 275 HD2 LYS 37 HD2 LYS 37 -11.410 0.479 1.033 276 HD3 LYS 37 HD3 LYS 37 -12.533 0.789 -0.293 277 HE2 LYS 37 HE2 LYS 37 -11.853 2.775 1.870 278 HE3 LYS 37 HE3 LYS 37 -11.091 2.733 0.282 279 HZ1 LYS 37 HZ1 LYS 37 -12.898 4.355 0.409 280 HZ2 LYS 37 HZ2 LYS 37 -13.998 3.121 0.766 281 HZ3 LYS 37 HZ3 LYS 37 -13.219 3.155 -0.737 Start of MODEL 13 1 H1 VAL 1 H1 VAL 1 -5.396 -9.243 -2.958 2 H2 VAL 1 H2 VAL 1 -5.342 -9.185 -4.644 3 H3 VAL 1 H3 VAL 1 -6.764 -8.765 -3.832 4 HA VAL 1 HA VAL 1 -5.608 -6.814 -4.631 5 HB VAL 1 HB VAL 1 -5.325 -5.628 -2.415 6 HG11 VAL 1 HG11 VAL 1 -7.665 -5.630 -1.920 7 HG12 VAL 1 HG12 VAL 1 -7.881 -7.198 -2.694 8 HG13 VAL 1 HG13 VAL 1 -7.468 -5.785 -3.665 9 HG21 VAL 1 HG21 VAL 1 -4.568 -7.530 -1.096 10 HG22 VAL 1 HG22 VAL 1 -6.123 -8.327 -1.330 11 HG23 VAL 1 HG23 VAL 1 -6.030 -6.831 -0.402 12 H GLY 2 H GLY 2 -3.822 -5.239 -3.579 13 HA2 GLY 2 HA2 GLY 2 -1.551 -5.137 -2.768 14 HA3 GLY 2 HA3 GLY 2 -1.324 -6.779 -3.357 15 H ILE 3 H ILE 3 -0.375 -3.776 -3.932 16 HA ILE 3 HA ILE 3 -0.614 -3.940 -6.860 17 HB ILE 3 HB ILE 3 -0.157 -1.597 -6.928 18 HG12 ILE 3 HG12 ILE 3 0.427 -1.803 -3.962 19 HG13 ILE 3 HG13 ILE 3 1.620 -1.545 -5.228 20 HG21 ILE 3 HG21 ILE 3 -1.930 -0.732 -5.298 21 HG22 ILE 3 HG22 ILE 3 -2.081 -2.401 -4.762 22 HG23 ILE 3 HG23 ILE 3 -2.426 -1.978 -6.437 23 HD11 ILE 3 HD11 ILE 3 -0.436 0.332 -4.169 24 HD12 ILE 3 HD12 ILE 3 0.266 0.572 -5.765 25 HD13 ILE 3 HD13 ILE 3 1.302 0.561 -4.338 26 H ASN 4 H ASN 4 1.531 -2.587 -7.741 27 HA ASN 4 HA ASN 4 3.712 -4.359 -6.979 28 HB2 ASN 4 HB2 ASN 4 3.244 -3.937 -9.389 29 HB3 ASN 4 HB3 ASN 4 3.659 -2.245 -9.148 30 HD21 ASN 4 HD21 ASN 4 4.858 -5.490 -9.367 31 HD22 ASN 4 HD22 ASN 4 6.532 -5.076 -9.511 32 H VAL 5 H VAL 5 4.146 -1.032 -7.990 33 HA VAL 5 HA VAL 5 5.272 0.728 -7.113 34 HB VAL 5 HB VAL 5 3.051 0.412 -5.703 35 HG11 VAL 5 HG11 VAL 5 3.385 0.402 -3.329 36 HG12 VAL 5 HG12 VAL 5 5.129 0.236 -3.540 37 HG13 VAL 5 HG13 VAL 5 4.052 -1.071 -4.033 38 HG21 VAL 5 HG21 VAL 5 3.480 2.540 -4.613 39 HG22 VAL 5 HG22 VAL 5 4.084 2.544 -6.269 40 HG23 VAL 5 HG23 VAL 5 5.205 2.365 -4.922 41 H ASP 6 H ASP 6 6.541 1.384 -4.862 42 HA ASP 6 HA ASP 6 8.165 -0.862 -3.977 43 HB2 ASP 6 HB2 ASP 6 10.239 0.475 -4.242 44 HB3 ASP 6 HB3 ASP 6 9.453 0.083 -5.761 45 H CYS 7 H CYS 7 7.985 -0.916 -1.863 46 HA CYS 7 HA CYS 7 7.519 1.555 -0.393 47 HB2 CYS 7 HB2 CYS 7 7.172 0.053 1.574 48 HB3 CYS 7 HB3 CYS 7 6.037 -0.184 0.266 49 H LYS 8 H LYS 8 9.073 2.611 0.602 50 HA LYS 8 HA LYS 8 11.509 1.289 1.429 51 HB2 LYS 8 HB2 LYS 8 11.440 3.715 0.770 52 HB3 LYS 8 HB3 LYS 8 10.444 4.026 2.181 53 HG2 LYS 8 HG2 LYS 8 12.247 3.229 3.614 54 HG3 LYS 8 HG3 LYS 8 13.265 2.988 2.194 55 HD2 LYS 8 HD2 LYS 8 13.008 5.409 1.674 56 HD3 LYS 8 HD3 LYS 8 12.136 5.601 3.196 57 HE2 LYS 8 HE2 LYS 8 14.971 4.617 2.905 58 HE3 LYS 8 HE3 LYS 8 14.497 6.239 3.400 59 HZ1 LYS 8 HZ1 LYS 8 13.930 3.719 4.870 60 HZ2 LYS 8 HZ2 LYS 8 13.391 5.251 5.335 61 HZ3 LYS 8 HZ3 LYS 8 15.044 4.911 5.314 62 H HIS 9 H HIS 9 8.359 1.848 2.503 63 HA HIS 9 HA HIS 9 8.471 0.288 4.825 64 HB2 HIS 9 HB2 HIS 9 7.941 2.179 6.476 65 HB3 HIS 9 HB3 HIS 9 9.624 1.999 6.000 66 HD1 HIS 9 HD1 HIS 9 10.688 3.888 4.695 67 HD2 HIS 9 HD2 HIS 9 6.665 4.521 5.496 68 HE1 HIS 9 HE1 HIS 9 10.215 6.226 3.936 69 HE2 HIS 9 HE2 HIS 9 7.839 6.670 4.659 70 H SER 10 H SER 10 6.367 0.312 5.975 71 HA SER 10 HA SER 10 4.285 0.252 4.056 72 HB2 SER 10 HB2 SER 10 2.878 -0.253 6.142 73 HB3 SER 10 HB3 SER 10 4.194 -1.361 5.762 74 HG SER 10 HG SER 10 4.861 -0.947 7.707 75 H GLY 11 H GLY 11 5.251 2.666 6.389 76 HA2 GLY 11 HA2 GLY 11 2.870 4.093 6.669 77 HA3 GLY 11 HA3 GLY 11 4.478 4.788 6.796 78 H GLN 12 H GLN 12 5.222 4.147 4.056 79 HA GLN 12 HA GLN 12 3.880 6.409 2.803 80 HB2 GLN 12 HB2 GLN 12 5.693 6.518 1.297 81 HB3 GLN 12 HB3 GLN 12 6.417 6.116 2.848 82 HG2 GLN 12 HG2 GLN 12 6.524 3.767 2.181 83 HG3 GLN 12 HG3 GLN 12 5.817 4.185 0.623 84 HE21 GLN 12 HE21 GLN 12 7.521 3.546 -0.596 85 HE22 GLN 12 HE22 GLN 12 9.056 4.353 -0.594 86 H CYS 13 H CYS 13 3.078 3.349 3.079 87 HA CYS 13 HA CYS 13 2.745 2.652 0.275 88 HB2 CYS 13 HB2 CYS 13 3.465 0.939 1.913 89 HB3 CYS 13 HB3 CYS 13 1.948 1.142 2.778 90 H LEU 14 H LEU 14 1.065 4.267 2.685 91 HA LEU 14 HA LEU 14 -1.591 3.468 2.186 92 HB2 LEU 14 HB2 LEU 14 -0.550 6.108 3.200 93 HB3 LEU 14 HB3 LEU 14 -2.195 5.548 3.328 94 HG LEU 14 HG LEU 14 0.227 4.416 4.719 95 HD11 LEU 14 HD11 LEU 14 -0.644 6.439 5.721 96 HD12 LEU 14 HD12 LEU 14 -0.981 5.047 6.752 97 HD13 LEU 14 HD13 LEU 14 -2.266 5.745 5.763 98 HD21 LEU 14 HD21 LEU 14 -1.136 2.553 4.092 99 HD22 LEU 14 HD22 LEU 14 -2.599 3.372 4.644 100 HD23 LEU 14 HD23 LEU 14 -1.378 2.864 5.813 101 H LYS 15 H LYS 15 0.255 6.263 1.070 102 HA LYS 15 HA LYS 15 -1.616 7.554 -0.418 103 HB2 LYS 15 HB2 LYS 15 0.715 8.289 0.170 104 HB3 LYS 15 HB3 LYS 15 1.281 7.339 -1.198 105 HG2 LYS 15 HG2 LYS 15 -0.062 8.675 -2.707 106 HG3 LYS 15 HG3 LYS 15 -0.688 9.582 -1.331 107 HD2 LYS 15 HD2 LYS 15 1.503 10.455 -0.843 108 HD3 LYS 15 HD3 LYS 15 2.222 9.448 -2.099 109 HE2 LYS 15 HE2 LYS 15 1.978 11.722 -2.896 110 HE3 LYS 15 HE3 LYS 15 0.905 10.649 -3.790 111 HZ1 LYS 15 HZ1 LYS 15 -0.926 11.380 -2.384 112 HZ2 LYS 15 HZ2 LYS 15 -0.218 12.685 -3.183 113 HZ3 LYS 15 HZ3 LYS 15 0.109 12.423 -1.549 114 HA PRO 16 HA PRO 16 -0.533 5.255 -4.473 115 HB2 PRO 16 HB2 PRO 16 0.864 2.941 -4.409 116 HB3 PRO 16 HB3 PRO 16 1.652 4.517 -4.535 117 HG2 PRO 16 HG2 PRO 16 1.265 2.766 -2.143 118 HG3 PRO 16 HG3 PRO 16 2.696 3.697 -2.630 119 HD2 PRO 16 HD2 PRO 16 0.960 4.569 -0.720 120 HD3 PRO 16 HD3 PRO 16 1.873 5.668 -1.765 121 H CYS 17 H CYS 17 -1.090 3.373 -1.604 122 HA CYS 17 HA CYS 17 -2.617 1.308 -2.856 123 HB2 CYS 17 HB2 CYS 17 -1.433 0.997 -0.708 124 HB3 CYS 17 HB3 CYS 17 -2.505 2.175 0.042 125 H LYS 18 H LYS 18 -3.259 4.422 -1.446 126 HA LYS 18 HA LYS 18 -6.094 4.135 -1.340 127 HB2 LYS 18 HB2 LYS 18 -4.661 5.768 -0.010 128 HB3 LYS 18 HB3 LYS 18 -4.546 6.719 -1.482 129 HG2 LYS 18 HG2 LYS 18 -6.286 7.597 -0.045 130 HG3 LYS 18 HG3 LYS 18 -6.975 6.949 -1.536 131 HD2 LYS 18 HD2 LYS 18 -8.316 6.322 0.410 132 HD3 LYS 18 HD3 LYS 18 -7.619 4.908 -0.376 133 HE2 LYS 18 HE2 LYS 18 -5.849 4.845 1.316 134 HE3 LYS 18 HE3 LYS 18 -6.549 6.261 2.099 135 HZ1 LYS 18 HZ1 LYS 18 -8.543 4.994 2.548 136 HZ2 LYS 18 HZ2 LYS 18 -7.197 4.198 3.190 137 HZ3 LYS 18 HZ3 LYS 18 -7.905 3.642 1.754 138 H LYS 19 H LYS 19 -3.758 5.228 -3.696 139 HA LYS 19 HA LYS 19 -5.648 6.242 -5.566 140 HB2 LYS 19 HB2 LYS 19 -3.270 6.867 -5.651 141 HB3 LYS 19 HB3 LYS 19 -2.837 5.203 -6.002 142 HG2 LYS 19 HG2 LYS 19 -2.777 6.580 -8.005 143 HG3 LYS 19 HG3 LYS 19 -4.004 5.323 -8.129 144 HD2 LYS 19 HD2 LYS 19 -5.032 7.245 -8.990 145 HD3 LYS 19 HD3 LYS 19 -5.666 7.099 -7.356 146 HE2 LYS 19 HE2 LYS 19 -3.310 8.843 -8.033 147 HE3 LYS 19 HE3 LYS 19 -4.970 9.419 -8.132 148 HZ1 LYS 19 HZ1 LYS 19 -4.137 10.051 -6.039 149 HZ2 LYS 19 HZ2 LYS 19 -3.512 8.519 -5.718 150 HZ3 LYS 19 HZ3 LYS 19 -5.185 8.758 -5.740 151 H ALA 20 H ALA 20 -4.366 3.111 -4.780 152 HA ALA 20 HA ALA 20 -5.470 1.731 -7.026 153 HB1 ALA 20 HB1 ALA 20 -3.588 0.881 -5.593 154 HB2 ALA 20 HB2 ALA 20 -4.887 -0.278 -5.877 155 HB3 ALA 20 HB3 ALA 20 -4.781 0.566 -4.332 156 H GLY 21 H GLY 21 -6.518 2.486 -3.754 157 HA2 GLY 21 HA2 GLY 21 -8.871 3.177 -3.594 158 HA3 GLY 21 HA3 GLY 21 -9.258 1.796 -4.604 159 H MET 22 H MET 22 -6.872 1.344 -2.163 160 HA MET 22 HA MET 22 -8.825 -0.284 -0.693 161 HB2 MET 22 HB2 MET 22 -5.821 -0.490 -0.850 162 HB3 MET 22 HB3 MET 22 -6.794 -1.416 0.283 163 HG2 MET 22 HG2 MET 22 -6.361 -2.840 -1.535 164 HG3 MET 22 HG3 MET 22 -8.039 -2.329 -1.699 165 HE1 MET 22 HE1 MET 22 -8.101 -3.148 -4.208 166 HE2 MET 22 HE2 MET 22 -6.430 -3.695 -4.074 167 HE3 MET 22 HE3 MET 22 -6.919 -2.673 -5.427 168 H ARG 23 H ARG 23 -7.644 -0.614 1.736 169 HA ARG 23 HA ARG 23 -8.179 2.032 2.837 170 HB2 ARG 23 HB2 ARG 23 -8.032 -0.696 4.124 171 HB3 ARG 23 HB3 ARG 23 -8.317 0.785 5.024 172 HG2 ARG 23 HG2 ARG 23 -10.296 1.146 3.456 173 HG3 ARG 23 HG3 ARG 23 -10.071 -0.541 3.000 174 HD2 ARG 23 HD2 ARG 23 -10.379 0.323 5.859 175 HD3 ARG 23 HD3 ARG 23 -11.758 -0.071 4.837 176 HE ARG 23 HE ARG 23 -10.193 -2.247 4.569 177 HH11 ARG 23 HH11 ARG 23 -11.325 -0.512 7.400 178 HH12 ARG 23 HH12 ARG 23 -11.400 -1.934 8.391 179 HH21 ARG 23 HH21 ARG 23 -10.290 -4.101 5.862 180 HH22 ARG 23 HH22 ARG 23 -10.820 -3.984 7.512 181 H PHE 24 H PHE 24 -5.835 -0.577 3.365 182 HA PHE 24 HA PHE 24 -3.798 1.438 3.998 183 HB2 PHE 24 HB2 PHE 24 -3.359 -0.888 5.611 184 HB3 PHE 24 HB3 PHE 24 -3.589 0.780 6.139 185 HD1 PHE 24 HD1 PHE 24 -5.418 -2.196 5.023 186 HD2 PHE 24 HD2 PHE 24 -5.472 1.273 7.450 187 HE1 PHE 24 HE1 PHE 24 -7.550 -2.931 5.973 188 HE2 PHE 24 HE2 PHE 24 -7.616 0.560 8.432 189 HZ PHE 24 HZ PHE 24 -8.660 -1.550 7.699 190 H GLY 25 H GLY 25 -1.617 0.562 3.910 191 HA2 GLY 25 HA2 GLY 25 -1.412 -1.754 2.096 192 HA3 GLY 25 HA3 GLY 25 -0.420 -0.311 1.906 193 H LYS 26 H LYS 26 0.727 -2.813 2.160 194 HA LYS 26 HA LYS 26 2.134 -2.477 4.706 195 HB2 LYS 26 HB2 LYS 26 0.335 -4.412 4.606 196 HB3 LYS 26 HB3 LYS 26 1.588 -5.237 3.691 197 HG2 LYS 26 HG2 LYS 26 1.764 -5.907 5.967 198 HG3 LYS 26 HG3 LYS 26 3.140 -4.868 5.594 199 HD2 LYS 26 HD2 LYS 26 2.039 -2.984 6.656 200 HD3 LYS 26 HD3 LYS 26 0.605 -3.964 6.958 201 HE2 LYS 26 HE2 LYS 26 1.995 -5.467 8.358 202 HE3 LYS 26 HE3 LYS 26 3.352 -4.367 8.130 203 HZ1 LYS 26 HZ1 LYS 26 2.077 -2.622 9.195 204 HZ2 LYS 26 HZ2 LYS 26 2.202 -3.962 10.219 205 HZ3 LYS 26 HZ3 LYS 26 0.761 -3.663 9.390 206 H CYS 27 H CYS 27 4.323 -3.081 4.599 207 HA CYS 27 HA CYS 27 5.325 -3.078 1.863 208 HB2 CYS 27 HB2 CYS 27 6.228 -1.433 3.502 209 HB3 CYS 27 HB3 CYS 27 6.878 -2.773 4.441 210 H ILE 28 H ILE 28 5.438 -5.012 1.000 211 HA ILE 28 HA ILE 28 6.372 -7.258 2.626 212 HB ILE 28 HB ILE 28 4.928 -7.085 -0.037 213 HG12 ILE 28 HG12 ILE 28 4.197 -7.973 2.733 214 HG13 ILE 28 HG13 ILE 28 3.437 -6.741 1.734 215 HG21 ILE 28 HG21 ILE 28 4.714 -9.565 0.088 216 HG22 ILE 28 HG22 ILE 28 6.000 -9.559 1.296 217 HG23 ILE 28 HG23 ILE 28 6.318 -8.986 -0.342 218 HD11 ILE 28 HD11 ILE 28 2.591 -8.485 0.246 219 HD12 ILE 28 HD12 ILE 28 2.039 -8.708 1.906 220 HD13 ILE 28 HD13 ILE 28 3.340 -9.711 1.265 221 H ASN 29 H ASN 29 7.658 -8.728 0.439 222 HA ASN 29 HA ASN 29 10.206 -7.549 0.503 223 HB2 ASN 29 HB2 ASN 29 10.945 -9.357 -0.890 224 HB3 ASN 29 HB3 ASN 29 9.761 -9.986 0.243 225 HD21 ASN 29 HD21 ASN 29 7.567 -8.738 -1.405 226 HD22 ASN 29 HD22 ASN 29 7.366 -9.818 -2.734 227 H GLY 30 H GLY 30 8.622 -5.525 -0.520 228 HA2 GLY 30 HA2 GLY 30 9.708 -3.940 -2.052 229 HA3 GLY 30 HA3 GLY 30 9.777 -5.243 -3.220 230 H LYS 31 H LYS 31 6.836 -5.562 -1.737 231 HA LYS 31 HA LYS 31 5.568 -3.919 -3.827 232 HB2 LYS 31 HB2 LYS 31 3.885 -5.665 -4.072 233 HB3 LYS 31 HB3 LYS 31 5.497 -6.319 -4.345 234 HG2 LYS 31 HG2 LYS 31 5.531 -7.331 -2.185 235 HG3 LYS 31 HG3 LYS 31 4.023 -6.536 -1.738 236 HD2 LYS 31 HD2 LYS 31 3.683 -8.884 -2.314 237 HD3 LYS 31 HD3 LYS 31 2.826 -7.811 -3.422 238 HE2 LYS 31 HE2 LYS 31 4.604 -8.087 -5.070 239 HE3 LYS 31 HE3 LYS 31 5.489 -9.128 -3.955 240 HZ1 LYS 31 HZ1 LYS 31 2.812 -9.697 -5.099 241 HZ2 LYS 31 HZ2 LYS 31 3.655 -10.696 -4.029 242 HZ3 LYS 31 HZ3 LYS 31 4.264 -10.416 -5.580 243 H CYS 32 H CYS 32 3.402 -3.205 -3.369 244 HA CYS 32 HA CYS 32 2.880 -2.881 -0.506 245 HB2 CYS 32 HB2 CYS 32 2.265 -1.267 -2.902 246 HB3 CYS 32 HB3 CYS 32 0.976 -1.365 -1.708 247 H ASP 33 H ASP 33 2.077 -5.002 -0.176 248 HA ASP 33 HA ASP 33 -0.401 -5.751 -1.420 249 HB2 ASP 33 HB2 ASP 33 0.969 -7.536 -0.645 250 HB3 ASP 33 HB3 ASP 33 1.110 -6.820 0.959 251 H CYS 34 H CYS 34 -2.375 -5.143 -0.825 252 HA CYS 34 HA CYS 34 -2.541 -3.299 1.455 253 HB2 CYS 34 HB2 CYS 34 -4.067 -3.451 -1.138 254 HB3 CYS 34 HB3 CYS 34 -4.558 -2.421 0.200 255 H THR 35 H THR 35 -4.671 -3.120 2.518 256 HA THR 35 HA THR 35 -6.283 -5.568 2.286 257 HB THR 35 HB THR 35 -5.963 -3.789 4.718 258 HG1 THR 35 HG1 THR 35 -4.849 -6.243 3.931 259 HG21 THR 35 HG21 THR 35 -8.247 -4.868 4.249 260 HG22 THR 35 HG22 THR 35 -7.515 -5.159 5.832 261 HG23 THR 35 HG23 THR 35 -7.441 -6.404 4.584 262 HA PRO 36 HA PRO 36 -9.118 -2.480 0.804 263 HB2 PRO 36 HB2 PRO 36 -10.931 -4.140 -0.235 264 HB3 PRO 36 HB3 PRO 36 -9.321 -4.000 -0.947 265 HG2 PRO 36 HG2 PRO 36 -10.438 -6.134 0.809 266 HG3 PRO 36 HG3 PRO 36 -9.332 -6.274 -0.567 267 HD2 PRO 36 HD2 PRO 36 -8.596 -6.263 2.132 268 HD3 PRO 36 HD3 PRO 36 -7.507 -5.998 0.760 269 H LYS 37 H LYS 37 -11.844 -2.946 0.760 270 HA LYS 37 HA LYS 37 -12.477 -2.663 3.579 271 HB2 LYS 37 HB2 LYS 37 -14.805 -2.092 2.598 272 HB3 LYS 37 HB3 LYS 37 -13.498 -0.935 2.417 273 HG2 LYS 37 HG2 LYS 37 -13.881 -2.883 0.221 274 HG3 LYS 37 HG3 LYS 37 -15.107 -1.631 0.417 275 HD2 LYS 37 HD2 LYS 37 -13.292 0.071 0.376 276 HD3 LYS 37 HD3 LYS 37 -12.142 -1.222 0.025 277 HE2 LYS 37 HE2 LYS 37 -13.239 -1.719 -2.047 278 HE3 LYS 37 HE3 LYS 37 -14.555 -0.607 -1.673 279 HZ1 LYS 37 HZ1 LYS 37 -11.720 0.144 -2.156 280 HZ2 LYS 37 HZ2 LYS 37 -12.963 1.220 -1.749 281 HZ3 LYS 37 HZ3 LYS 37 -13.017 0.389 -3.219 Start of MODEL 14 1 H1 VAL 1 H1 VAL 1 -5.414 -8.918 -4.787 2 H2 VAL 1 H2 VAL 1 -6.809 -8.532 -3.913 3 H3 VAL 1 H3 VAL 1 -5.431 -9.086 -3.107 4 HA VAL 1 HA VAL 1 -5.605 -6.567 -4.636 5 HB VAL 1 HB VAL 1 -5.340 -5.484 -2.372 6 HG11 VAL 1 HG11 VAL 1 -7.670 -5.419 -1.938 7 HG12 VAL 1 HG12 VAL 1 -7.920 -7.006 -2.666 8 HG13 VAL 1 HG13 VAL 1 -7.482 -5.629 -3.678 9 HG21 VAL 1 HG21 VAL 1 -4.617 -7.447 -1.124 10 HG22 VAL 1 HG22 VAL 1 -6.182 -8.212 -1.398 11 HG23 VAL 1 HG23 VAL 1 -6.074 -6.754 -0.413 12 H GLY 2 H GLY 2 -3.799 -5.082 -3.652 13 HA2 GLY 2 HA2 GLY 2 -1.504 -5.041 -2.841 14 HA3 GLY 2 HA3 GLY 2 -1.323 -6.676 -3.464 15 H ILE 3 H ILE 3 -0.277 -3.698 -4.021 16 HA ILE 3 HA ILE 3 -0.576 -3.855 -6.948 17 HB ILE 3 HB ILE 3 -0.477 -1.549 -7.100 18 HG12 ILE 3 HG12 ILE 3 0.880 -1.582 -4.400 19 HG13 ILE 3 HG13 ILE 3 1.589 -1.144 -5.944 20 HG21 ILE 3 HG21 ILE 3 -1.980 -0.627 -5.367 21 HG22 ILE 3 HG22 ILE 3 -1.750 -2.095 -4.420 22 HG23 ILE 3 HG23 ILE 3 -2.532 -2.176 -5.998 23 HD11 ILE 3 HD11 ILE 3 -0.332 0.392 -4.264 24 HD12 ILE 3 HD12 ILE 3 -0.104 0.763 -5.971 25 HD13 ILE 3 HD13 ILE 3 1.255 0.876 -4.851 26 H ASN 4 H ASN 4 1.346 -2.577 -7.998 27 HA ASN 4 HA ASN 4 3.808 -3.884 -7.043 28 HB2 ASN 4 HB2 ASN 4 2.933 -4.601 -9.283 29 HB3 ASN 4 HB3 ASN 4 3.136 -2.950 -9.849 30 HD21 ASN 4 HD21 ASN 4 4.334 -5.450 -10.770 31 HD22 ASN 4 HD22 ASN 4 6.047 -5.217 -10.687 32 H VAL 5 H VAL 5 4.765 -2.364 -5.808 33 HA VAL 5 HA VAL 5 5.273 0.266 -6.977 34 HB VAL 5 HB VAL 5 3.119 0.196 -5.549 35 HG11 VAL 5 HG11 VAL 5 3.439 0.461 -3.160 36 HG12 VAL 5 HG12 VAL 5 5.159 0.140 -3.343 37 HG13 VAL 5 HG13 VAL 5 3.980 -1.118 -3.717 38 HG21 VAL 5 HG21 VAL 5 3.419 2.426 -4.788 39 HG22 VAL 5 HG22 VAL 5 4.345 2.257 -6.279 40 HG23 VAL 5 HG23 VAL 5 5.167 2.237 -4.721 41 H ASP 6 H ASP 6 6.548 1.517 -5.013 42 HA ASP 6 HA ASP 6 8.627 -0.362 -4.130 43 HB2 ASP 6 HB2 ASP 6 9.057 2.330 -5.387 44 HB3 ASP 6 HB3 ASP 6 10.294 1.424 -4.531 45 H CYS 7 H CYS 7 7.948 -0.377 -2.125 46 HA CYS 7 HA CYS 7 7.788 2.092 -0.587 47 HB2 CYS 7 HB2 CYS 7 7.158 0.447 1.283 48 HB3 CYS 7 HB3 CYS 7 6.001 0.693 -0.011 49 H LYS 8 H LYS 8 9.404 2.765 0.701 50 HA LYS 8 HA LYS 8 11.630 1.017 1.293 51 HB2 LYS 8 HB2 LYS 8 11.972 3.453 0.932 52 HB3 LYS 8 HB3 LYS 8 10.960 3.785 2.327 53 HG2 LYS 8 HG2 LYS 8 13.263 3.988 2.946 54 HG3 LYS 8 HG3 LYS 8 12.551 2.583 3.742 55 HD2 LYS 8 HD2 LYS 8 13.514 1.154 1.947 56 HD3 LYS 8 HD3 LYS 8 14.333 2.580 1.309 57 HE2 LYS 8 HE2 LYS 8 15.863 1.326 2.685 58 HE3 LYS 8 HE3 LYS 8 15.474 2.850 3.481 59 HZ1 LYS 8 HZ1 LYS 8 15.443 1.019 5.041 60 HZ2 LYS 8 HZ2 LYS 8 14.286 0.203 4.117 61 HZ3 LYS 8 HZ3 LYS 8 13.886 1.662 4.874 62 H HIS 9 H HIS 9 8.584 1.751 2.482 63 HA HIS 9 HA HIS 9 8.715 0.018 4.715 64 HB2 HIS 9 HB2 HIS 9 8.115 1.889 6.404 65 HB3 HIS 9 HB3 HIS 9 9.807 1.672 5.979 66 HD1 HIS 9 HD1 HIS 9 10.976 3.572 4.774 67 HD2 HIS 9 HD2 HIS 9 6.926 4.264 5.389 68 HE1 HIS 9 HE1 HIS 9 10.584 5.947 4.066 69 HE2 HIS 9 HE2 HIS 9 8.189 6.418 4.718 70 H SER 10 H SER 10 6.658 -0.177 5.780 71 HA SER 10 HA SER 10 4.527 -0.228 3.955 72 HB2 SER 10 HB2 SER 10 4.765 -1.782 5.838 73 HB3 SER 10 HB3 SER 10 4.491 -0.468 6.971 74 HG SER 10 HG SER 10 2.437 -0.263 5.554 75 H GLY 11 H GLY 11 5.454 2.168 6.339 76 HA2 GLY 11 HA2 GLY 11 3.043 3.517 6.675 77 HA3 GLY 11 HA3 GLY 11 4.629 4.253 6.821 78 H GLN 12 H GLN 12 5.320 3.721 4.002 79 HA GLN 12 HA GLN 12 3.959 6.073 2.950 80 HB2 GLN 12 HB2 GLN 12 5.721 6.253 1.371 81 HB3 GLN 12 HB3 GLN 12 6.472 5.831 2.903 82 HG2 GLN 12 HG2 GLN 12 6.626 3.503 2.183 83 HG3 GLN 12 HG3 GLN 12 5.884 3.933 0.641 84 HE21 GLN 12 HE21 GLN 12 7.060 5.209 -0.823 85 HE22 GLN 12 HE22 GLN 12 8.781 5.346 -0.714 86 H CYS 13 H CYS 13 3.237 2.928 2.955 87 HA CYS 13 HA CYS 13 2.812 2.528 0.112 88 HB2 CYS 13 HB2 CYS 13 3.245 0.807 2.237 89 HB3 CYS 13 HB3 CYS 13 1.528 0.613 1.913 90 H LEU 14 H LEU 14 1.231 4.021 2.613 91 HA LEU 14 HA LEU 14 -1.449 3.273 2.239 92 HB2 LEU 14 HB2 LEU 14 -0.307 5.868 3.256 93 HB3 LEU 14 HB3 LEU 14 -1.959 5.343 3.454 94 HG LEU 14 HG LEU 14 0.498 4.104 4.684 95 HD11 LEU 14 HD11 LEU 14 -0.242 6.129 5.781 96 HD12 LEU 14 HD12 LEU 14 -0.574 4.724 6.794 97 HD13 LEU 14 HD13 LEU 14 -1.883 5.493 5.896 98 HD21 LEU 14 HD21 LEU 14 -0.976 2.311 4.090 99 HD22 LEU 14 HD22 LEU 14 -2.364 3.168 4.759 100 HD23 LEU 14 HD23 LEU 14 -1.091 2.582 5.829 101 H LYS 15 H LYS 15 0.325 6.116 1.085 102 HA LYS 15 HA LYS 15 -1.683 7.406 -0.257 103 HB2 LYS 15 HB2 LYS 15 0.843 8.000 0.193 104 HB3 LYS 15 HB3 LYS 15 1.054 7.395 -1.441 105 HG2 LYS 15 HG2 LYS 15 -0.891 9.557 -0.702 106 HG3 LYS 15 HG3 LYS 15 0.756 9.867 -1.245 107 HD2 LYS 15 HD2 LYS 15 0.278 8.759 -3.362 108 HD3 LYS 15 HD3 LYS 15 -1.360 8.398 -2.818 109 HE2 LYS 15 HE2 LYS 15 -1.840 10.785 -2.659 110 HE3 LYS 15 HE3 LYS 15 -0.196 11.158 -3.171 111 HZ1 LYS 15 HZ1 LYS 15 -0.662 10.054 -5.284 112 HZ2 LYS 15 HZ2 LYS 15 -1.718 11.344 -5.012 113 HZ3 LYS 15 HZ3 LYS 15 -2.255 9.757 -4.793 114 HA PRO 16 HA PRO 16 -0.714 5.192 -4.405 115 HB2 PRO 16 HB2 PRO 16 0.729 2.893 -4.386 116 HB3 PRO 16 HB3 PRO 16 1.468 4.486 -4.584 117 HG2 PRO 16 HG2 PRO 16 1.252 2.782 -2.136 118 HG3 PRO 16 HG3 PRO 16 2.637 3.726 -2.724 119 HD2 PRO 16 HD2 PRO 16 1.014 4.617 -0.740 120 HD3 PRO 16 HD3 PRO 16 1.803 5.711 -1.885 121 H CYS 17 H CYS 17 -1.122 3.282 -1.525 122 HA CYS 17 HA CYS 17 -2.720 1.232 -2.673 123 HB2 CYS 17 HB2 CYS 17 -1.522 1.049 -0.496 124 HB3 CYS 17 HB3 CYS 17 -2.647 2.218 0.187 125 H LYS 18 H LYS 18 -3.353 4.368 -1.238 126 HA LYS 18 HA LYS 18 -6.203 4.162 -1.275 127 HB2 LYS 18 HB2 LYS 18 -4.284 6.472 -1.022 128 HB3 LYS 18 HB3 LYS 18 -6.025 6.714 -1.067 129 HG2 LYS 18 HG2 LYS 18 -4.671 4.923 0.931 130 HG3 LYS 18 HG3 LYS 18 -4.970 6.638 1.217 131 HD2 LYS 18 HD2 LYS 18 -7.130 4.655 0.511 132 HD3 LYS 18 HD3 LYS 18 -6.702 5.091 2.166 133 HE2 LYS 18 HE2 LYS 18 -7.233 7.431 1.685 134 HE3 LYS 18 HE3 LYS 18 -7.658 6.996 0.031 135 HZ1 LYS 18 HZ1 LYS 18 -9.601 7.214 1.474 136 HZ2 LYS 18 HZ2 LYS 18 -9.020 5.969 2.458 137 HZ3 LYS 18 HZ3 LYS 18 -9.453 5.648 0.858 138 H LYS 19 H LYS 19 -3.747 5.255 -3.504 139 HA LYS 19 HA LYS 19 -5.528 6.393 -5.411 140 HB2 LYS 19 HB2 LYS 19 -3.109 6.921 -5.335 141 HB3 LYS 19 HB3 LYS 19 -2.747 5.270 -5.815 142 HG2 LYS 19 HG2 LYS 19 -3.782 5.609 -7.958 143 HG3 LYS 19 HG3 LYS 19 -4.337 7.212 -7.479 144 HD2 LYS 19 HD2 LYS 19 -2.387 7.437 -8.876 145 HD3 LYS 19 HD3 LYS 19 -1.970 7.905 -7.228 146 HE2 LYS 19 HE2 LYS 19 -0.188 6.569 -8.108 147 HE3 LYS 19 HE3 LYS 19 -1.033 5.628 -6.882 148 HZ1 LYS 19 HZ1 LYS 19 -1.346 5.362 -9.823 149 HZ2 LYS 19 HZ2 LYS 19 -2.234 4.492 -8.676 150 HZ3 LYS 19 HZ3 LYS 19 -0.562 4.271 -8.797 151 H ALA 20 H ALA 20 -4.319 3.196 -4.747 152 HA ALA 20 HA ALA 20 -5.202 2.008 -7.181 153 HB1 ALA 20 HB1 ALA 20 -3.411 1.040 -5.788 154 HB2 ALA 20 HB2 ALA 20 -4.712 -0.108 -6.114 155 HB3 ALA 20 HB3 ALA 20 -4.606 0.682 -4.542 156 H GLY 21 H GLY 21 -6.473 1.926 -3.839 157 HA2 GLY 21 HA2 GLY 21 -9.003 2.550 -4.075 158 HA3 GLY 21 HA3 GLY 21 -9.040 1.017 -4.922 159 H MET 22 H MET 22 -6.785 1.042 -2.371 160 HA MET 22 HA MET 22 -8.723 -0.446 -0.734 161 HB2 MET 22 HB2 MET 22 -5.709 -0.623 -0.798 162 HB3 MET 22 HB3 MET 22 -6.716 -1.451 0.378 163 HG2 MET 22 HG2 MET 22 -6.215 -3.053 -1.246 164 HG3 MET 22 HG3 MET 22 -7.867 -2.551 -1.586 165 HE1 MET 22 HE1 MET 22 -4.134 -2.386 -2.654 166 HE2 MET 22 HE2 MET 22 -4.473 -0.671 -2.425 167 HE3 MET 22 HE3 MET 22 -4.171 -1.302 -4.042 168 H ARG 23 H ARG 23 -7.585 -0.437 1.723 169 HA ARG 23 HA ARG 23 -7.945 2.385 2.438 170 HB2 ARG 23 HB2 ARG 23 -8.249 -0.164 4.030 171 HB3 ARG 23 HB3 ARG 23 -8.362 1.433 4.750 172 HG2 ARG 23 HG2 ARG 23 -10.199 1.922 3.108 173 HG3 ARG 23 HG3 ARG 23 -10.152 0.214 2.682 174 HD2 ARG 23 HD2 ARG 23 -10.549 1.171 5.501 175 HD3 ARG 23 HD3 ARG 23 -11.891 0.888 4.392 176 HE ARG 23 HE ARG 23 -10.452 -1.425 4.305 177 HH11 ARG 23 HH11 ARG 23 -11.966 0.431 6.864 178 HH12 ARG 23 HH12 ARG 23 -12.245 -0.957 7.866 179 HH21 ARG 23 HH21 ARG 23 -10.818 -3.226 5.608 180 HH22 ARG 23 HH22 ARG 23 -11.590 -3.042 7.152 181 H PHE 24 H PHE 24 -6.020 -0.394 3.497 182 HA PHE 24 HA PHE 24 -3.856 1.464 4.226 183 HB2 PHE 24 HB2 PHE 24 -3.703 -0.997 5.707 184 HB3 PHE 24 HB3 PHE 24 -3.807 0.652 6.318 185 HD1 PHE 24 HD1 PHE 24 -5.896 -2.049 4.908 186 HD2 PHE 24 HD2 PHE 24 -5.693 1.264 7.554 187 HE1 PHE 24 HE1 PHE 24 -8.156 -2.564 5.695 188 HE2 PHE 24 HE2 PHE 24 -7.967 0.758 8.357 189 HZ PHE 24 HZ PHE 24 -9.199 -1.159 7.433 190 H GLY 25 H GLY 25 -1.719 0.512 4.164 191 HA2 GLY 25 HA2 GLY 25 -1.506 -1.740 2.283 192 HA3 GLY 25 HA3 GLY 25 -0.690 -0.223 1.928 193 H LYS 26 H LYS 26 0.450 -2.873 2.345 194 HA LYS 26 HA LYS 26 2.262 -2.176 4.541 195 HB2 LYS 26 HB2 LYS 26 0.684 -4.059 5.162 196 HB3 LYS 26 HB3 LYS 26 1.435 -4.996 3.878 197 HG2 LYS 26 HG2 LYS 26 3.608 -4.770 4.996 198 HG3 LYS 26 HG3 LYS 26 2.819 -3.899 6.311 199 HD2 LYS 26 HD2 LYS 26 1.444 -5.861 6.792 200 HD3 LYS 26 HD3 LYS 26 2.212 -6.730 5.461 201 HE2 LYS 26 HE2 LYS 26 3.631 -5.647 7.892 202 HE3 LYS 26 HE3 LYS 26 3.164 -7.330 7.652 203 HZ1 LYS 26 HZ1 LYS 26 4.630 -7.464 5.765 204 HZ2 LYS 26 HZ2 LYS 26 5.502 -6.898 7.099 205 HZ3 LYS 26 HZ3 LYS 26 5.022 -5.822 5.891 206 H CYS 27 H CYS 27 4.401 -2.862 4.250 207 HA CYS 27 HA CYS 27 5.108 -3.106 1.423 208 HB2 CYS 27 HB2 CYS 27 6.139 -1.322 2.903 209 HB3 CYS 27 HB3 CYS 27 6.980 -2.622 3.743 210 H ILE 28 H ILE 28 5.534 -5.061 0.632 211 HA ILE 28 HA ILE 28 6.540 -7.073 2.526 212 HB ILE 28 HB ILE 28 4.530 -7.476 0.295 213 HG12 ILE 28 HG12 ILE 28 4.364 -7.357 3.292 214 HG13 ILE 28 HG13 ILE 28 3.413 -6.483 2.098 215 HG21 ILE 28 HG21 ILE 28 4.476 -9.731 0.671 216 HG22 ILE 28 HG22 ILE 28 5.224 -9.608 2.265 217 HG23 ILE 28 HG23 ILE 28 6.206 -9.409 0.813 218 HD11 ILE 28 HD11 ILE 28 2.275 -8.560 1.499 219 HD12 ILE 28 HD12 ILE 28 2.080 -8.165 3.207 220 HD13 ILE 28 HD13 ILE 28 3.218 -9.421 2.715 221 H ASN 29 H ASN 29 6.330 -8.464 -0.524 222 HA ASN 29 HA ASN 29 9.221 -8.214 -0.766 223 HB2 ASN 29 HB2 ASN 29 8.940 -10.087 -2.459 224 HB3 ASN 29 HB3 ASN 29 8.527 -10.471 -0.797 225 HD21 ASN 29 HD21 ASN 29 6.496 -8.627 -2.989 226 HD22 ASN 29 HD22 ASN 29 5.251 -9.821 -3.136 227 H GLY 30 H GLY 30 8.209 -5.888 -1.433 228 HA2 GLY 30 HA2 GLY 30 8.617 -4.367 -3.169 229 HA3 GLY 30 HA3 GLY 30 8.721 -5.717 -4.294 230 H LYS 31 H LYS 31 6.055 -5.971 -2.268 231 HA LYS 31 HA LYS 31 4.308 -4.765 -4.307 232 HB2 LYS 31 HB2 LYS 31 2.685 -6.506 -3.881 233 HB3 LYS 31 HB3 LYS 31 4.231 -7.265 -4.244 234 HG2 LYS 31 HG2 LYS 31 4.627 -7.669 -1.894 235 HG3 LYS 31 HG3 LYS 31 3.134 -6.830 -1.476 236 HD2 LYS 31 HD2 LYS 31 3.291 -9.331 -3.152 237 HD3 LYS 31 HD3 LYS 31 2.942 -9.293 -1.427 238 HE2 LYS 31 HE2 LYS 31 0.967 -7.860 -1.920 239 HE3 LYS 31 HE3 LYS 31 1.295 -8.072 -3.637 240 HZ1 LYS 31 HZ1 LYS 31 -0.398 -9.612 -2.833 241 HZ2 LYS 31 HZ2 LYS 31 0.700 -10.270 -1.729 242 HZ3 LYS 31 HZ3 LYS 31 0.967 -10.441 -3.391 243 H CYS 32 H CYS 32 2.499 -3.660 -3.544 244 HA CYS 32 HA CYS 32 2.545 -2.983 -0.701 245 HB2 CYS 32 HB2 CYS 32 2.166 -1.291 -2.700 246 HB3 CYS 32 HB3 CYS 32 0.518 -1.900 -2.624 247 H ASP 33 H ASP 33 1.861 -5.075 0.030 248 HA ASP 33 HA ASP 33 -0.646 -6.133 -0.886 249 HB2 ASP 33 HB2 ASP 33 1.229 -7.531 0.011 250 HB3 ASP 33 HB3 ASP 33 0.902 -6.873 1.607 251 H CYS 34 H CYS 34 -2.448 -5.156 -0.445 252 HA CYS 34 HA CYS 34 -2.629 -3.464 1.940 253 HB2 CYS 34 HB2 CYS 34 -3.974 -3.387 -0.749 254 HB3 CYS 34 HB3 CYS 34 -4.550 -2.434 0.610 255 H THR 35 H THR 35 -4.873 -3.119 2.758 256 HA THR 35 HA THR 35 -6.619 -5.448 2.360 257 HB THR 35 HB THR 35 -6.327 -3.763 4.864 258 HG1 THR 35 HG1 THR 35 -5.844 -6.538 4.402 259 HG21 THR 35 HG21 THR 35 -8.682 -4.549 4.201 260 HG22 THR 35 HG22 THR 35 -8.108 -4.964 5.820 261 HG23 THR 35 HG23 THR 35 -8.089 -6.178 4.540 262 HA PRO 36 HA PRO 36 -9.050 -2.199 0.598 263 HB2 PRO 36 HB2 PRO 36 -10.994 -3.722 -0.412 264 HB3 PRO 36 HB3 PRO 36 -9.351 -3.815 -1.039 265 HG2 PRO 36 HG2 PRO 36 -10.771 -5.646 0.845 266 HG3 PRO 36 HG3 PRO 36 -9.690 -6.042 -0.502 267 HD2 PRO 36 HD2 PRO 36 -8.937 -5.952 2.161 268 HD3 PRO 36 HD3 PRO 36 -7.826 -5.810 0.789 269 H LYS 37 H LYS 37 -11.845 -2.361 0.436 270 HA LYS 37 HA LYS 37 -12.556 -1.742 3.191 271 HB2 LYS 37 HB2 LYS 37 -14.067 -1.308 0.612 272 HB3 LYS 37 HB3 LYS 37 -14.679 -0.873 2.198 273 HG2 LYS 37 HG2 LYS 37 -13.847 1.137 1.556 274 HG3 LYS 37 HG3 LYS 37 -12.406 0.468 2.318 275 HD2 LYS 37 HD2 LYS 37 -11.706 1.399 0.257 276 HD3 LYS 37 HD3 LYS 37 -11.727 -0.350 0.023 277 HE2 LYS 37 HE2 LYS 37 -13.940 -0.161 -1.036 278 HE3 LYS 37 HE3 LYS 37 -13.880 1.586 -0.827 279 HZ1 LYS 37 HZ1 LYS 37 -13.244 0.900 -3.065 280 HZ2 LYS 37 HZ2 LYS 37 -11.965 -0.008 -2.440 281 HZ3 LYS 37 HZ3 LYS 37 -11.964 1.672 -2.275 Start of MODEL 15 1 H1 VAL 1 H1 VAL 1 -5.236 -9.194 -3.099 2 H2 VAL 1 H2 VAL 1 -4.969 -8.954 -4.747 3 H3 VAL 1 H3 VAL 1 -6.493 -8.645 -4.086 4 HA VAL 1 HA VAL 1 -5.328 -6.599 -4.507 5 HB VAL 1 HB VAL 1 -5.289 -5.686 -2.135 6 HG11 VAL 1 HG11 VAL 1 -7.660 -5.669 -1.956 7 HG12 VAL 1 HG12 VAL 1 -7.800 -7.192 -2.838 8 HG13 VAL 1 HG13 VAL 1 -7.280 -5.733 -3.678 9 HG21 VAL 1 HG21 VAL 1 -4.679 -7.744 -0.987 10 HG22 VAL 1 HG22 VAL 1 -6.187 -8.496 -1.505 11 HG23 VAL 1 HG23 VAL 1 -6.221 -7.132 -0.389 12 H GLY 2 H GLY 2 -3.686 -5.106 -3.275 13 HA2 GLY 2 HA2 GLY 2 -1.442 -4.962 -2.403 14 HA3 GLY 2 HA3 GLY 2 -1.152 -6.585 -3.023 15 H ILE 3 H ILE 3 -0.465 -3.435 -3.562 16 HA ILE 3 HA ILE 3 -1.143 -3.367 -6.384 17 HB ILE 3 HB ILE 3 -0.689 -1.045 -6.301 18 HG12 ILE 3 HG12 ILE 3 0.622 -1.558 -3.623 19 HG13 ILE 3 HG13 ILE 3 1.467 -1.174 -5.116 20 HG21 ILE 3 HG21 ILE 3 -2.042 -0.330 -4.339 21 HG22 ILE 3 HG22 ILE 3 -1.920 -1.966 -3.703 22 HG23 ILE 3 HG23 ILE 3 -2.756 -1.672 -5.225 23 HD11 ILE 3 HD11 ILE 3 -0.421 0.612 -3.624 24 HD12 ILE 3 HD12 ILE 3 0.352 1.009 -5.154 25 HD13 ILE 3 HD13 ILE 3 1.330 0.771 -3.705 26 H ASN 4 H ASN 4 0.567 -2.105 -7.715 27 HA ASN 4 HA ASN 4 3.055 -3.663 -7.531 28 HB2 ASN 4 HB2 ASN 4 1.609 -4.013 -9.561 29 HB3 ASN 4 HB3 ASN 4 1.874 -2.324 -9.978 30 HD21 ASN 4 HD21 ASN 4 3.326 -5.473 -9.714 31 HD22 ASN 4 HD22 ASN 4 4.737 -5.118 -10.646 32 H VAL 5 H VAL 5 4.236 -2.321 -6.251 33 HA VAL 5 HA VAL 5 4.946 0.308 -7.285 34 HB VAL 5 HB VAL 5 2.860 0.301 -5.626 35 HG11 VAL 5 HG11 VAL 5 3.472 0.626 -3.328 36 HG12 VAL 5 HG12 VAL 5 5.162 0.298 -3.708 37 HG13 VAL 5 HG13 VAL 5 3.954 -0.974 -3.890 38 HG21 VAL 5 HG21 VAL 5 3.451 2.551 -4.898 39 HG22 VAL 5 HG22 VAL 5 3.879 2.305 -6.591 40 HG23 VAL 5 HG23 VAL 5 5.131 2.270 -5.352 41 H ASP 6 H ASP 6 6.496 1.281 -5.357 42 HA ASP 6 HA ASP 6 8.147 -0.923 -4.372 43 HB2 ASP 6 HB2 ASP 6 10.192 0.270 -4.904 44 HB3 ASP 6 HB3 ASP 6 9.243 -0.009 -6.353 45 H CYS 7 H CYS 7 7.968 -0.873 -2.299 46 HA CYS 7 HA CYS 7 7.529 1.657 -0.917 47 HB2 CYS 7 HB2 CYS 7 7.205 0.121 1.096 48 HB3 CYS 7 HB3 CYS 7 5.995 0.050 -0.167 49 H LYS 8 H LYS 8 9.027 2.664 0.225 50 HA LYS 8 HA LYS 8 11.483 1.334 0.969 51 HB2 LYS 8 HB2 LYS 8 11.423 3.778 0.462 52 HB3 LYS 8 HB3 LYS 8 10.381 4.015 1.855 53 HG2 LYS 8 HG2 LYS 8 12.116 3.267 3.331 54 HG3 LYS 8 HG3 LYS 8 13.170 2.908 1.967 55 HD2 LYS 8 HD2 LYS 8 13.199 5.272 1.357 56 HD3 LYS 8 HD3 LYS 8 12.117 5.638 2.704 57 HE2 LYS 8 HE2 LYS 8 14.486 6.129 3.212 58 HE3 LYS 8 HE3 LYS 8 13.784 4.928 4.295 59 HZ1 LYS 8 HZ1 LYS 8 16.009 4.311 3.546 60 HZ2 LYS 8 HZ2 LYS 8 15.485 4.313 1.942 61 HZ3 LYS 8 HZ3 LYS 8 14.855 3.188 3.033 62 H HIS 9 H HIS 9 8.324 1.871 2.176 63 HA HIS 9 HA HIS 9 8.561 0.056 4.310 64 HB2 HIS 9 HB2 HIS 9 8.030 1.776 6.161 65 HB3 HIS 9 HB3 HIS 9 9.707 1.620 5.652 66 HD1 HIS 9 HD1 HIS 9 10.771 3.609 4.465 67 HD2 HIS 9 HD2 HIS 9 6.795 4.221 5.497 68 HE1 HIS 9 HE1 HIS 9 10.293 6.007 3.910 69 HE2 HIS 9 HE2 HIS 9 7.988 6.425 4.853 70 H SER 10 H SER 10 6.494 0.137 5.702 71 HA SER 10 HA SER 10 4.341 0.007 3.884 72 HB2 SER 10 HB2 SER 10 2.996 -0.441 5.976 73 HB3 SER 10 HB3 SER 10 4.388 -1.499 5.728 74 HG SER 10 HG SER 10 3.999 -0.430 7.900 75 H GLY 11 H GLY 11 5.393 2.467 6.129 76 HA2 GLY 11 HA2 GLY 11 3.127 4.036 6.362 77 HA3 GLY 11 HA3 GLY 11 4.768 4.662 6.361 78 H GLN 12 H GLN 12 5.466 3.949 3.695 79 HA GLN 12 HA GLN 12 3.908 5.978 2.307 80 HB2 GLN 12 HB2 GLN 12 5.696 5.718 0.511 81 HB3 GLN 12 HB3 GLN 12 6.175 6.429 2.037 82 HG2 GLN 12 HG2 GLN 12 7.395 4.577 2.673 83 HG3 GLN 12 HG3 GLN 12 6.578 3.523 1.521 84 HE21 GLN 12 HE21 GLN 12 8.874 6.161 1.838 85 HE22 GLN 12 HE22 GLN 12 9.674 5.885 0.331 86 H CYS 13 H CYS 13 3.242 2.957 2.769 87 HA CYS 13 HA CYS 13 2.626 2.242 0.014 88 HB2 CYS 13 HB2 CYS 13 2.228 0.870 2.664 89 HB3 CYS 13 HB3 CYS 13 1.406 0.303 1.216 90 H LEU 14 H LEU 14 1.256 3.910 2.628 91 HA LEU 14 HA LEU 14 -1.449 3.222 2.424 92 HB2 LEU 14 HB2 LEU 14 -0.235 5.821 3.342 93 HB3 LEU 14 HB3 LEU 14 -1.856 5.273 3.683 94 HG LEU 14 HG LEU 14 0.710 4.049 4.690 95 HD11 LEU 14 HD11 LEU 14 0.070 6.116 5.809 96 HD12 LEU 14 HD12 LEU 14 -0.107 4.727 6.880 97 HD13 LEU 14 HD13 LEU 14 -1.531 5.453 6.134 98 HD21 LEU 14 HD21 LEU 14 -0.831 2.264 4.271 99 HD22 LEU 14 HD22 LEU 14 -2.143 3.149 5.048 100 HD23 LEU 14 HD23 LEU 14 -0.786 2.564 6.010 101 H LYS 15 H LYS 15 0.226 6.093 1.190 102 HA LYS 15 HA LYS 15 -1.937 7.266 -0.041 103 HB2 LYS 15 HB2 LYS 15 -0.064 8.605 0.357 104 HB3 LYS 15 HB3 LYS 15 1.025 7.485 -0.442 105 HG2 LYS 15 HG2 LYS 15 0.785 9.375 -1.841 106 HG3 LYS 15 HG3 LYS 15 -0.086 8.028 -2.568 107 HD2 LYS 15 HD2 LYS 15 -1.546 9.828 -2.838 108 HD3 LYS 15 HD3 LYS 15 -2.163 9.002 -1.410 109 HE2 LYS 15 HE2 LYS 15 -0.297 11.364 -1.289 110 HE3 LYS 15 HE3 LYS 15 -2.050 11.514 -1.261 111 HZ1 LYS 15 HZ1 LYS 15 -1.262 11.566 0.960 112 HZ2 LYS 15 HZ2 LYS 15 -0.334 10.173 0.752 113 HZ3 LYS 15 HZ3 LYS 15 -2.021 10.071 0.745 114 HA PRO 16 HA PRO 16 -0.703 5.352 -4.266 115 HB2 PRO 16 HB2 PRO 16 0.861 3.106 -4.252 116 HB3 PRO 16 HB3 PRO 16 1.484 4.741 -4.497 117 HG2 PRO 16 HG2 PRO 16 1.502 3.047 -2.044 118 HG3 PRO 16 HG3 PRO 16 2.733 4.169 -2.645 119 HD2 PRO 16 HD2 PRO 16 1.030 4.783 -0.614 120 HD3 PRO 16 HD3 PRO 16 1.707 5.998 -1.714 121 H CYS 17 H CYS 17 -1.136 3.341 -1.469 122 HA CYS 17 HA CYS 17 -2.588 1.257 -2.764 123 HB2 CYS 17 HB2 CYS 17 -1.503 0.958 -0.573 124 HB3 CYS 17 HB3 CYS 17 -2.609 2.130 0.134 125 H LYS 18 H LYS 18 -3.426 4.294 -1.210 126 HA LYS 18 HA LYS 18 -6.262 3.856 -1.448 127 HB2 LYS 18 HB2 LYS 18 -4.573 6.214 -0.650 128 HB3 LYS 18 HB3 LYS 18 -6.317 6.353 -0.844 129 HG2 LYS 18 HG2 LYS 18 -6.604 4.560 0.837 130 HG3 LYS 18 HG3 LYS 18 -4.856 4.546 1.072 131 HD2 LYS 18 HD2 LYS 18 -4.893 6.818 1.859 132 HD3 LYS 18 HD3 LYS 18 -6.606 6.970 1.469 133 HE2 LYS 18 HE2 LYS 18 -6.302 6.632 3.854 134 HE3 LYS 18 HE3 LYS 18 -7.129 5.251 3.137 135 HZ1 LYS 18 HZ1 LYS 18 -4.229 5.359 3.759 136 HZ2 LYS 18 HZ2 LYS 18 -5.078 4.018 3.162 137 HZ3 LYS 18 HZ3 LYS 18 -5.398 4.599 4.716 138 H LYS 19 H LYS 19 -3.724 5.321 -3.295 139 HA LYS 19 HA LYS 19 -5.374 6.546 -5.261 140 HB2 LYS 19 HB2 LYS 19 -2.941 7.046 -4.890 141 HB3 LYS 19 HB3 LYS 19 -2.562 5.477 -5.585 142 HG2 LYS 19 HG2 LYS 19 -3.553 6.153 -7.698 143 HG3 LYS 19 HG3 LYS 19 -3.984 7.717 -7.006 144 HD2 LYS 19 HD2 LYS 19 -1.584 8.154 -6.597 145 HD3 LYS 19 HD3 LYS 19 -1.198 6.628 -7.395 146 HE2 LYS 19 HE2 LYS 19 -2.635 8.960 -8.655 147 HE3 LYS 19 HE3 LYS 19 -0.939 8.546 -8.905 148 HZ1 LYS 19 HZ1 LYS 19 -1.630 6.444 -9.872 149 HZ2 LYS 19 HZ2 LYS 19 -2.333 7.739 -10.705 150 HZ3 LYS 19 HZ3 LYS 19 -3.259 6.834 -9.621 151 H ALA 20 H ALA 20 -4.162 3.342 -4.684 152 HA ALA 20 HA ALA 20 -4.881 2.227 -7.209 153 HB1 ALA 20 HB1 ALA 20 -3.208 1.222 -5.654 154 HB2 ALA 20 HB2 ALA 20 -4.449 0.092 -6.197 155 HB3 ALA 20 HB3 ALA 20 -4.540 0.788 -4.581 156 H GLY 21 H GLY 21 -6.361 2.084 -3.967 157 HA2 GLY 21 HA2 GLY 21 -8.873 2.697 -4.291 158 HA3 GLY 21 HA3 GLY 21 -8.869 1.210 -5.224 159 H MET 22 H MET 22 -6.709 1.022 -2.636 160 HA MET 22 HA MET 22 -8.716 -0.470 -1.094 161 HB2 MET 22 HB2 MET 22 -5.708 -0.779 -1.123 162 HB3 MET 22 HB3 MET 22 -6.800 -1.681 -0.084 163 HG2 MET 22 HG2 MET 22 -6.298 -3.123 -1.853 164 HG3 MET 22 HG3 MET 22 -7.913 -2.508 -2.202 165 HE1 MET 22 HE1 MET 22 -6.413 -2.899 -5.793 166 HE2 MET 22 HE2 MET 22 -7.761 -3.288 -4.724 167 HE3 MET 22 HE3 MET 22 -6.163 -3.965 -4.411 168 H ARG 23 H ARG 23 -7.534 -0.646 1.362 169 HA ARG 23 HA ARG 23 -7.822 2.151 2.193 170 HB2 ARG 23 HB2 ARG 23 -8.268 -0.437 3.681 171 HB3 ARG 23 HB3 ARG 23 -8.311 1.133 4.465 172 HG2 ARG 23 HG2 ARG 23 -10.081 1.755 2.739 173 HG3 ARG 23 HG3 ARG 23 -10.156 0.031 2.386 174 HD2 ARG 23 HD2 ARG 23 -10.498 1.136 5.158 175 HD3 ARG 23 HD3 ARG 23 -11.847 0.919 4.046 176 HE ARG 23 HE ARG 23 -10.466 -1.496 4.170 177 HH11 ARG 23 HH11 ARG 23 -12.360 0.561 6.277 178 HH12 ARG 23 HH12 ARG 23 -12.925 -0.753 7.259 179 HH21 ARG 23 HH21 ARG 23 -11.195 -3.215 5.466 180 HH22 ARG 23 HH22 ARG 23 -12.258 -2.898 6.801 181 H PHE 24 H PHE 24 -6.200 -0.619 3.689 182 HA PHE 24 HA PHE 24 -4.041 1.189 4.509 183 HB2 PHE 24 HB2 PHE 24 -3.971 -1.477 5.669 184 HB3 PHE 24 HB3 PHE 24 -4.020 0.088 6.476 185 HD1 PHE 24 HD1 PHE 24 -6.124 -2.434 4.809 186 HD2 PHE 24 HD2 PHE 24 -5.982 0.806 7.545 187 HE1 PHE 24 HE1 PHE 24 -8.450 -2.883 5.436 188 HE2 PHE 24 HE2 PHE 24 -8.317 0.364 8.189 189 HZ PHE 24 HZ PHE 24 -9.553 -1.484 7.139 190 H GLY 25 H GLY 25 -1.850 0.298 4.514 191 HA2 GLY 25 HA2 GLY 25 -1.405 -1.730 2.447 192 HA3 GLY 25 HA3 GLY 25 -0.720 -0.131 2.209 193 H LYS 26 H LYS 26 0.422 -2.883 2.653 194 HA LYS 26 HA LYS 26 2.307 -2.124 4.790 195 HB2 LYS 26 HB2 LYS 26 0.793 -4.003 5.462 196 HB3 LYS 26 HB3 LYS 26 1.395 -4.914 4.091 197 HG2 LYS 26 HG2 LYS 26 3.654 -4.846 5.058 198 HG3 LYS 26 HG3 LYS 26 2.995 -4.012 6.468 199 HD2 LYS 26 HD2 LYS 26 1.586 -5.902 6.983 200 HD3 LYS 26 HD3 LYS 26 2.088 -6.723 5.504 201 HE2 LYS 26 HE2 LYS 26 4.381 -6.831 6.342 202 HE3 LYS 26 HE3 LYS 26 3.884 -6.005 7.817 203 HZ1 LYS 26 HZ1 LYS 26 4.006 -8.375 8.167 204 HZ2 LYS 26 HZ2 LYS 26 2.922 -8.658 6.901 205 HZ3 LYS 26 HZ3 LYS 26 2.403 -7.860 8.296 206 H CYS 27 H CYS 27 4.462 -2.865 4.442 207 HA CYS 27 HA CYS 27 5.088 -3.158 1.596 208 HB2 CYS 27 HB2 CYS 27 6.182 -1.287 2.775 209 HB3 CYS 27 HB3 CYS 27 6.902 -2.424 3.909 210 H ILE 28 H ILE 28 5.599 -5.101 0.865 211 HA ILE 28 HA ILE 28 6.375 -7.123 2.855 212 HB ILE 28 HB ILE 28 4.516 -7.421 0.487 213 HG12 ILE 28 HG12 ILE 28 4.139 -7.324 3.467 214 HG13 ILE 28 HG13 ILE 28 3.353 -6.355 2.226 215 HG21 ILE 28 HG21 ILE 28 4.301 -9.658 0.828 216 HG22 ILE 28 HG22 ILE 28 4.905 -9.594 2.485 217 HG23 ILE 28 HG23 ILE 28 6.029 -9.455 1.129 218 HD11 ILE 28 HD11 ILE 28 2.129 -8.345 1.480 219 HD12 ILE 28 HD12 ILE 28 1.805 -7.943 3.167 220 HD13 ILE 28 HD13 ILE 28 2.889 -9.276 2.770 221 H ASN 29 H ASN 29 6.251 -8.481 -0.223 222 HA ASN 29 HA ASN 29 9.157 -8.562 -0.250 223 HB2 ASN 29 HB2 ASN 29 8.783 -10.350 -2.018 224 HB3 ASN 29 HB3 ASN 29 8.207 -10.718 -0.400 225 HD21 ASN 29 HD21 ASN 29 6.577 -8.614 -2.723 226 HD22 ASN 29 HD22 ASN 29 5.210 -9.647 -2.958 227 H GLY 30 H GLY 30 8.341 -6.121 -0.918 228 HA2 GLY 30 HA2 GLY 30 9.134 -4.653 -2.596 229 HA3 GLY 30 HA3 GLY 30 9.014 -5.961 -3.763 230 H LYS 31 H LYS 31 6.284 -6.073 -1.936 231 HA LYS 31 HA LYS 31 4.831 -4.357 -3.829 232 HB2 LYS 31 HB2 LYS 31 2.957 -5.882 -3.676 233 HB3 LYS 31 HB3 LYS 31 4.394 -6.795 -4.112 234 HG2 LYS 31 HG2 LYS 31 4.634 -7.588 -1.848 235 HG3 LYS 31 HG3 LYS 31 3.283 -6.588 -1.324 236 HD2 LYS 31 HD2 LYS 31 3.138 -8.889 -3.269 237 HD3 LYS 31 HD3 LYS 31 2.624 -8.915 -1.584 238 HE2 LYS 31 HE2 LYS 31 1.034 -7.038 -2.176 239 HE3 LYS 31 HE3 LYS 31 1.427 -7.357 -3.863 240 HZ1 LYS 31 HZ1 LYS 31 0.682 -9.684 -3.471 241 HZ2 LYS 31 HZ2 LYS 31 -0.552 -8.540 -3.328 242 HZ3 LYS 31 HZ3 LYS 31 0.135 -9.215 -1.939 243 H CYS 32 H CYS 32 3.367 -2.939 -3.008 244 HA CYS 32 HA CYS 32 3.071 -2.773 -0.132 245 HB2 CYS 32 HB2 CYS 32 2.179 -1.060 -2.453 246 HB3 CYS 32 HB3 CYS 32 1.442 -0.848 -0.860 247 H ASP 33 H ASP 33 2.081 -4.747 0.288 248 HA ASP 33 HA ASP 33 -0.329 -5.525 -1.046 249 HB2 ASP 33 HB2 ASP 33 1.294 -7.143 -0.121 250 HB3 ASP 33 HB3 ASP 33 0.898 -6.584 1.499 251 H CYS 34 H CYS 34 -2.422 -5.376 -0.316 252 HA CYS 34 HA CYS 34 -2.802 -3.472 1.894 253 HB2 CYS 34 HB2 CYS 34 -4.022 -3.434 -0.863 254 HB3 CYS 34 HB3 CYS 34 -4.608 -2.452 0.472 255 H THR 35 H THR 35 -5.019 -3.346 2.692 256 HA THR 35 HA THR 35 -6.692 -5.666 2.004 257 HB THR 35 HB THR 35 -6.636 -4.125 4.619 258 HG1 THR 35 HG1 THR 35 -5.871 -6.792 3.935 259 HG21 THR 35 HG21 THR 35 -8.901 -4.950 3.796 260 HG22 THR 35 HG22 THR 35 -8.389 -5.518 5.388 261 HG23 THR 35 HG23 THR 35 -8.259 -6.583 3.989 262 HA PRO 36 HA PRO 36 -9.083 -2.393 0.261 263 HB2 PRO 36 HB2 PRO 36 -11.086 -3.854 -0.743 264 HB3 PRO 36 HB3 PRO 36 -9.449 -3.980 -1.382 265 HG2 PRO 36 HG2 PRO 36 -10.881 -5.784 0.527 266 HG3 PRO 36 HG3 PRO 36 -9.861 -6.206 -0.860 267 HD2 PRO 36 HD2 PRO 36 -8.992 -6.193 1.746 268 HD3 PRO 36 HD3 PRO 36 -7.930 -5.975 0.344 269 H LYS 37 H LYS 37 -11.883 -2.452 0.107 270 HA LYS 37 HA LYS 37 -12.491 -1.624 2.825 271 HB2 LYS 37 HB2 LYS 37 -13.982 -1.279 0.230 272 HB3 LYS 37 HB3 LYS 37 -14.652 -0.806 1.780 273 HG2 LYS 37 HG2 LYS 37 -13.794 1.169 0.931 274 HG3 LYS 37 HG3 LYS 37 -12.540 0.622 2.039 275 HD2 LYS 37 HD2 LYS 37 -11.442 1.358 0.070 276 HD3 LYS 37 HD3 LYS 37 -11.383 -0.404 0.053 277 HE2 LYS 37 HE2 LYS 37 -11.932 0.443 -2.152 278 HE3 LYS 37 HE3 LYS 37 -13.299 -0.443 -1.483 279 HZ1 LYS 37 HZ1 LYS 37 -13.021 2.518 -1.486 280 HZ2 LYS 37 HZ2 LYS 37 -14.356 1.640 -0.923 281 HZ3 LYS 37 HZ3 LYS 37 -13.968 1.624 -2.567 Start of MODEL 16 1 H1 VAL 1 H1 VAL 1 -4.870 -9.397 -4.307 2 H2 VAL 1 H2 VAL 1 -6.333 -8.973 -3.578 3 H3 VAL 1 H3 VAL 1 -4.977 -9.303 -2.626 4 HA VAL 1 HA VAL 1 -5.238 -7.057 -4.521 5 HB VAL 1 HB VAL 1 -5.100 -5.661 -2.419 6 HG11 VAL 1 HG11 VAL 1 -7.451 -5.696 -2.058 7 HG12 VAL 1 HG12 VAL 1 -7.571 -7.371 -2.597 8 HG13 VAL 1 HG13 VAL 1 -7.178 -6.100 -3.754 9 HG21 VAL 1 HG21 VAL 1 -4.308 -7.424 -0.913 10 HG22 VAL 1 HG22 VAL 1 -5.840 -8.276 -1.105 11 HG23 VAL 1 HG23 VAL 1 -5.801 -6.696 -0.324 12 H GLY 2 H GLY 2 -3.564 -5.318 -3.558 13 HA2 GLY 2 HA2 GLY 2 -1.268 -5.128 -2.752 14 HA3 GLY 2 HA3 GLY 2 -0.984 -6.734 -3.415 15 H ILE 3 H ILE 3 -0.096 -3.748 -3.932 16 HA ILE 3 HA ILE 3 -0.776 -3.663 -6.789 17 HB ILE 3 HB ILE 3 -0.292 -1.297 -6.707 18 HG12 ILE 3 HG12 ILE 3 0.481 -1.816 -3.827 19 HG13 ILE 3 HG13 ILE 3 1.566 -1.326 -5.121 20 HG21 ILE 3 HG21 ILE 3 -2.023 -0.623 -5.009 21 HG22 ILE 3 HG22 ILE 3 -2.053 -2.300 -4.476 22 HG23 ILE 3 HG23 ILE 3 -2.526 -1.891 -6.124 23 HD11 ILE 3 HD11 ILE 3 -0.610 0.278 -3.838 24 HD12 ILE 3 HD12 ILE 3 0.213 0.776 -5.313 25 HD13 ILE 3 HD13 ILE 3 1.122 0.588 -3.812 26 H ASN 4 H ASN 4 1.071 -2.163 -7.885 27 HA ASN 4 HA ASN 4 3.402 -3.944 -7.779 28 HB2 ASN 4 HB2 ASN 4 2.109 -3.749 -9.910 29 HB3 ASN 4 HB3 ASN 4 2.556 -2.050 -9.987 30 HD21 ASN 4 HD21 ASN 4 3.778 -5.332 -10.083 31 HD22 ASN 4 HD22 ASN 4 5.239 -4.959 -10.929 32 H VAL 5 H VAL 5 2.516 -1.117 -6.531 33 HA VAL 5 HA VAL 5 4.760 0.538 -7.036 34 HB VAL 5 HB VAL 5 2.350 0.694 -5.474 35 HG11 VAL 5 HG11 VAL 5 3.547 0.483 -3.460 36 HG12 VAL 5 HG12 VAL 5 3.287 2.211 -3.687 37 HG13 VAL 5 HG13 VAL 5 4.862 1.501 -4.042 38 HG21 VAL 5 HG21 VAL 5 2.903 3.155 -5.646 39 HG22 VAL 5 HG22 VAL 5 2.728 2.270 -7.161 40 HG23 VAL 5 HG23 VAL 5 4.335 2.665 -6.549 41 H ASP 6 H ASP 6 6.451 1.061 -5.568 42 HA ASP 6 HA ASP 6 7.341 -1.311 -4.076 43 HB2 ASP 6 HB2 ASP 6 9.651 -0.448 -4.439 44 HB3 ASP 6 HB3 ASP 6 8.810 -0.840 -5.934 45 H CYS 7 H CYS 7 7.686 -1.170 -1.972 46 HA CYS 7 HA CYS 7 7.117 1.365 -0.676 47 HB2 CYS 7 HB2 CYS 7 7.209 -0.128 1.410 48 HB3 CYS 7 HB3 CYS 7 5.883 -0.361 0.287 49 H LYS 8 H LYS 8 8.541 2.581 0.397 50 HA LYS 8 HA LYS 8 11.201 1.576 0.972 51 HB2 LYS 8 HB2 LYS 8 10.800 3.996 0.368 52 HB3 LYS 8 HB3 LYS 8 9.922 4.167 1.873 53 HG2 LYS 8 HG2 LYS 8 11.810 3.864 3.165 54 HG3 LYS 8 HG3 LYS 8 12.736 3.163 1.839 55 HD2 LYS 8 HD2 LYS 8 13.547 5.385 2.225 56 HD3 LYS 8 HD3 LYS 8 12.666 5.377 0.701 57 HE2 LYS 8 HE2 LYS 8 10.686 6.256 1.933 58 HE3 LYS 8 HE3 LYS 8 11.702 6.406 3.363 59 HZ1 LYS 8 HZ1 LYS 8 11.556 8.498 2.192 60 HZ2 LYS 8 HZ2 LYS 8 12.130 7.787 0.772 61 HZ3 LYS 8 HZ3 LYS 8 13.139 7.911 2.122 62 H HIS 9 H HIS 9 8.112 1.828 2.336 63 HA HIS 9 HA HIS 9 8.639 0.169 4.533 64 HB2 HIS 9 HB2 HIS 9 7.991 1.878 6.337 65 HB3 HIS 9 HB3 HIS 9 9.641 1.943 5.735 66 HD1 HIS 9 HD1 HIS 9 10.272 3.976 4.255 67 HD2 HIS 9 HD2 HIS 9 6.458 4.154 5.883 68 HE1 HIS 9 HE1 HIS 9 9.461 6.298 3.785 69 HE2 HIS 9 HE2 HIS 9 7.259 6.463 5.024 70 H SER 10 H SER 10 6.600 -0.008 5.952 71 HA SER 10 HA SER 10 4.479 -0.510 4.183 72 HB2 SER 10 HB2 SER 10 3.190 -0.850 6.395 73 HB3 SER 10 HB3 SER 10 4.586 -1.879 6.077 74 HG SER 10 HG SER 10 4.236 -0.509 8.201 75 H GLY 11 H GLY 11 4.986 2.110 6.493 76 HA2 GLY 11 HA2 GLY 11 2.441 3.220 6.501 77 HA3 GLY 11 HA3 GLY 11 3.918 4.109 6.819 78 H GLN 12 H GLN 12 4.943 3.560 4.065 79 HA GLN 12 HA GLN 12 3.509 5.793 2.865 80 HB2 GLN 12 HB2 GLN 12 5.404 5.907 1.282 81 HB3 GLN 12 HB3 GLN 12 5.893 6.048 2.961 82 HG2 GLN 12 HG2 GLN 12 7.477 4.600 2.319 83 HG3 GLN 12 HG3 GLN 12 6.213 3.416 2.637 84 HE21 GLN 12 HE21 GLN 12 8.024 5.100 0.213 85 HE22 GLN 12 HE22 GLN 12 7.561 4.097 -1.121 86 H CYS 13 H CYS 13 3.004 2.624 2.837 87 HA CYS 13 HA CYS 13 2.520 2.303 -0.003 88 HB2 CYS 13 HB2 CYS 13 2.017 0.563 2.403 89 HB3 CYS 13 HB3 CYS 13 1.367 0.157 0.822 90 H LEU 14 H LEU 14 0.912 3.429 2.784 91 HA LEU 14 HA LEU 14 -1.769 3.016 2.163 92 HB2 LEU 14 HB2 LEU 14 -0.315 5.153 3.687 93 HB3 LEU 14 HB3 LEU 14 -2.037 5.258 3.439 94 HG LEU 14 HG LEU 14 -2.366 3.149 4.642 95 HD11 LEU 14 HD11 LEU 14 -0.140 2.209 4.027 96 HD12 LEU 14 HD12 LEU 14 -0.592 1.999 5.718 97 HD13 LEU 14 HD13 LEU 14 0.575 3.243 5.263 98 HD21 LEU 14 HD21 LEU 14 -0.688 5.163 6.123 99 HD22 LEU 14 HD22 LEU 14 -1.750 3.963 6.862 100 HD23 LEU 14 HD23 LEU 14 -2.432 5.251 5.866 101 H LYS 15 H LYS 15 0.370 5.701 1.314 102 HA LYS 15 HA LYS 15 -1.444 7.381 0.138 103 HB2 LYS 15 HB2 LYS 15 1.036 7.700 0.762 104 HB3 LYS 15 HB3 LYS 15 1.376 7.109 -0.852 105 HG2 LYS 15 HG2 LYS 15 -0.453 9.410 -0.357 106 HG3 LYS 15 HG3 LYS 15 1.290 9.620 -0.511 107 HD2 LYS 15 HD2 LYS 15 1.160 8.512 -2.738 108 HD3 LYS 15 HD3 LYS 15 -0.598 8.489 -2.576 109 HE2 LYS 15 HE2 LYS 15 0.044 10.380 -3.918 110 HE3 LYS 15 HE3 LYS 15 -0.563 10.953 -2.370 111 HZ1 LYS 15 HZ1 LYS 15 1.411 12.152 -2.983 112 HZ2 LYS 15 HZ2 LYS 15 2.287 10.718 -3.151 113 HZ3 LYS 15 HZ3 LYS 15 1.743 11.199 -1.626 114 HA PRO 16 HA PRO 16 -0.730 5.597 -4.215 115 HB2 PRO 16 HB2 PRO 16 0.635 3.282 -4.583 116 HB3 PRO 16 HB3 PRO 16 1.402 4.872 -4.598 117 HG2 PRO 16 HG2 PRO 16 1.344 2.812 -2.455 118 HG3 PRO 16 HG3 PRO 16 2.642 3.923 -2.913 119 HD2 PRO 16 HD2 PRO 16 0.988 4.302 -0.750 120 HD3 PRO 16 HD3 PRO 16 1.850 5.593 -1.598 121 H CYS 17 H CYS 17 -1.158 3.162 -1.677 122 HA CYS 17 HA CYS 17 -2.743 1.437 -3.259 123 HB2 CYS 17 HB2 CYS 17 -2.087 1.716 -0.364 124 HB3 CYS 17 HB3 CYS 17 -3.402 0.676 -0.850 125 H LYS 18 H LYS 18 -3.397 4.237 -1.270 126 HA LYS 18 HA LYS 18 -6.234 3.898 -1.252 127 HB2 LYS 18 HB2 LYS 18 -4.421 6.239 -0.721 128 HB3 LYS 18 HB3 LYS 18 -6.175 6.393 -0.674 129 HG2 LYS 18 HG2 LYS 18 -6.281 4.705 1.082 130 HG3 LYS 18 HG3 LYS 18 -4.528 4.522 1.019 131 HD2 LYS 18 HD2 LYS 18 -4.317 6.922 1.628 132 HD3 LYS 18 HD3 LYS 18 -6.070 6.986 1.822 133 HE2 LYS 18 HE2 LYS 18 -5.937 5.255 3.548 134 HE3 LYS 18 HE3 LYS 18 -4.187 5.195 3.354 135 HZ1 LYS 18 HZ1 LYS 18 -5.776 7.511 4.308 136 HZ2 LYS 18 HZ2 LYS 18 -4.108 7.542 4.027 137 HZ3 LYS 18 HZ3 LYS 18 -4.745 6.544 5.236 138 H LYS 19 H LYS 19 -3.907 5.305 -3.410 139 HA LYS 19 HA LYS 19 -5.799 6.504 -5.183 140 HB2 LYS 19 HB2 LYS 19 -3.461 7.209 -5.188 141 HB3 LYS 19 HB3 LYS 19 -2.950 5.588 -5.629 142 HG2 LYS 19 HG2 LYS 19 -4.139 5.815 -7.770 143 HG3 LYS 19 HG3 LYS 19 -4.589 7.460 -7.324 144 HD2 LYS 19 HD2 LYS 19 -2.661 7.491 -8.796 145 HD3 LYS 19 HD3 LYS 19 -2.209 8.060 -7.191 146 HE2 LYS 19 HE2 LYS 19 -0.503 6.576 -8.054 147 HE3 LYS 19 HE3 LYS 19 -1.306 5.828 -6.676 148 HZ1 LYS 19 HZ1 LYS 19 -1.017 4.221 -8.411 149 HZ2 LYS 19 HZ2 LYS 19 -1.783 5.216 -9.540 150 HZ3 LYS 19 HZ3 LYS 19 -2.666 4.555 -8.262 151 H ALA 20 H ALA 20 -4.212 3.389 -4.897 152 HA ALA 20 HA ALA 20 -5.109 2.260 -7.319 153 HB1 ALA 20 HB1 ALA 20 -3.243 1.382 -5.897 154 HB2 ALA 20 HB2 ALA 20 -4.400 0.159 -6.426 155 HB3 ALA 20 HB3 ALA 20 -4.466 0.778 -4.776 156 H GLY 21 H GLY 21 -6.426 2.181 -4.029 157 HA2 GLY 21 HA2 GLY 21 -8.974 2.452 -4.186 158 HA3 GLY 21 HA3 GLY 21 -8.878 0.969 -5.120 159 H MET 22 H MET 22 -6.636 1.261 -2.549 160 HA MET 22 HA MET 22 -8.267 -0.609 -0.993 161 HB2 MET 22 HB2 MET 22 -5.276 -0.265 -1.119 162 HB3 MET 22 HB3 MET 22 -6.078 -1.251 0.097 163 HG2 MET 22 HG2 MET 22 -5.411 -2.758 -1.550 164 HG3 MET 22 HG3 MET 22 -7.134 -2.508 -1.839 165 HE1 MET 22 HE1 MET 22 -5.246 -3.844 -4.009 166 HE2 MET 22 HE2 MET 22 -5.790 -3.014 -5.466 167 HE3 MET 22 HE3 MET 22 -6.964 -3.530 -4.255 168 H ARG 23 H ARG 23 -7.087 -0.504 1.469 169 HA ARG 23 HA ARG 23 -7.866 2.227 2.264 170 HB2 ARG 23 HB2 ARG 23 -8.105 -0.409 3.709 171 HB3 ARG 23 HB3 ARG 23 -8.400 1.134 4.492 172 HG2 ARG 23 HG2 ARG 23 -10.075 1.553 2.608 173 HG3 ARG 23 HG3 ARG 23 -9.927 -0.169 2.282 174 HD2 ARG 23 HD2 ARG 23 -10.606 0.886 5.007 175 HD3 ARG 23 HD3 ARG 23 -11.838 0.551 3.791 176 HE ARG 23 HE ARG 23 -10.405 -1.748 3.889 177 HH11 ARG 23 HH11 ARG 23 -12.011 0.200 6.313 178 HH12 ARG 23 HH12 ARG 23 -12.384 -1.150 7.332 179 HH21 ARG 23 HH21 ARG 23 -10.874 -3.512 5.226 180 HH22 ARG 23 HH22 ARG 23 -11.723 -3.272 6.716 181 H PHE 24 H PHE 24 -5.776 -0.415 3.368 182 HA PHE 24 HA PHE 24 -4.095 1.564 4.752 183 HB2 PHE 24 HB2 PHE 24 -3.788 -1.368 5.218 184 HB3 PHE 24 HB3 PHE 24 -3.667 -0.033 6.363 185 HD1 PHE 24 HD2 PHE 24 -5.719 0.934 7.352 186 HD2 PHE 24 HD1 PHE 24 -5.823 -2.408 4.744 187 HE1 PHE 24 HE2 PHE 24 -8.029 0.453 8.061 188 HE2 PHE 24 HE1 PHE 24 -8.125 -2.896 5.434 189 HZ PHE 24 HZ PHE 24 -9.232 -1.468 7.108 190 H GLY 25 H GLY 25 -1.881 -0.355 4.991 191 HA2 GLY 25 HA2 GLY 25 -1.048 -1.190 2.414 192 HA3 GLY 25 HA3 GLY 25 -0.346 0.376 2.797 193 H LYS 26 H LYS 26 0.638 -2.555 2.544 194 HA LYS 26 HA LYS 26 2.368 -2.395 4.916 195 HB2 LYS 26 HB2 LYS 26 0.518 -4.137 5.133 196 HB3 LYS 26 HB3 LYS 26 1.296 -4.979 3.804 197 HG2 LYS 26 HG2 LYS 26 3.266 -5.355 5.093 198 HG3 LYS 26 HG3 LYS 26 2.665 -4.328 6.397 199 HD2 LYS 26 HD2 LYS 26 2.394 -6.702 6.932 200 HD3 LYS 26 HD3 LYS 26 0.833 -5.891 6.797 201 HE2 LYS 26 HE2 LYS 26 0.652 -6.746 4.472 202 HE3 LYS 26 HE3 LYS 26 2.146 -7.646 4.726 203 HZ1 LYS 26 HZ1 LYS 26 1.050 -8.830 6.546 204 HZ2 LYS 26 HZ2 LYS 26 0.244 -9.057 5.077 205 HZ3 LYS 26 HZ3 LYS 26 -0.386 -7.996 6.230 206 H CYS 27 H CYS 27 4.452 -3.307 4.592 207 HA CYS 27 HA CYS 27 5.228 -3.295 1.759 208 HB2 CYS 27 HB2 CYS 27 6.288 -1.584 3.215 209 HB3 CYS 27 HB3 CYS 27 6.957 -2.872 4.209 210 H ILE 28 H ILE 28 5.488 -5.258 0.920 211 HA ILE 28 HA ILE 28 6.186 -7.417 2.784 212 HB ILE 28 HB ILE 28 4.597 -7.465 0.216 213 HG12 ILE 28 HG12 ILE 28 3.969 -7.820 3.132 214 HG13 ILE 28 HG13 ILE 28 3.267 -6.684 1.986 215 HG21 ILE 28 HG21 ILE 28 4.472 -9.720 0.178 216 HG22 ILE 28 HG22 ILE 28 4.848 -9.904 1.895 217 HG23 ILE 28 HG23 ILE 28 6.136 -9.539 0.743 218 HD11 ILE 28 HD11 ILE 28 2.148 -8.528 0.850 219 HD12 ILE 28 HD12 ILE 28 1.701 -8.440 2.553 220 HD13 ILE 28 HD13 ILE 28 2.848 -9.662 2.003 221 H ASN 29 H ASN 29 6.490 -8.395 -0.466 222 HA ASN 29 HA ASN 29 9.370 -8.481 -0.076 223 HB2 ASN 29 HB2 ASN 29 9.315 -9.998 -2.108 224 HB3 ASN 29 HB3 ASN 29 8.499 -10.596 -0.673 225 HD21 ASN 29 HD21 ASN 29 7.175 -8.185 -2.869 226 HD22 ASN 29 HD22 ASN 29 5.912 -9.186 -3.489 227 H GLY 30 H GLY 30 8.542 -5.970 -0.496 228 HA2 GLY 30 HA2 GLY 30 9.492 -4.230 -1.779 229 HA3 GLY 30 HA3 GLY 30 9.680 -5.354 -3.118 230 H LYS 31 H LYS 31 6.663 -5.843 -1.863 231 HA LYS 31 HA LYS 31 5.457 -3.982 -3.798 232 HB2 LYS 31 HB2 LYS 31 3.636 -5.582 -4.045 233 HB3 LYS 31 HB3 LYS 31 5.170 -6.375 -4.381 234 HG2 LYS 31 HG2 LYS 31 5.099 -7.639 -2.466 235 HG3 LYS 31 HG3 LYS 31 4.052 -6.497 -1.626 236 HD2 LYS 31 HD2 LYS 31 2.817 -8.483 -2.129 237 HD3 LYS 31 HD3 LYS 31 2.196 -7.163 -3.117 238 HE2 LYS 31 HE2 LYS 31 3.606 -7.998 -4.992 239 HE3 LYS 31 HE3 LYS 31 4.048 -9.377 -3.988 240 HZ1 LYS 31 HZ1 LYS 31 1.315 -8.683 -4.925 241 HZ2 LYS 31 HZ2 LYS 31 1.674 -9.953 -3.868 242 HZ3 LYS 31 HZ3 LYS 31 2.264 -9.981 -5.451 243 H CYS 32 H CYS 32 3.579 -2.907 -3.173 244 HA CYS 32 HA CYS 32 3.108 -2.773 -0.310 245 HB2 CYS 32 HB2 CYS 32 2.183 -1.110 -2.650 246 HB3 CYS 32 HB3 CYS 32 1.473 -0.917 -1.051 247 H ASP 33 H ASP 33 2.158 -4.817 0.038 248 HA ASP 33 HA ASP 33 -0.378 -5.434 -1.176 249 HB2 ASP 33 HB2 ASP 33 1.075 -7.217 -0.342 250 HB3 ASP 33 HB3 ASP 33 0.971 -6.553 1.286 251 H CYS 34 H CYS 34 -2.244 -4.518 -0.641 252 HA CYS 34 HA CYS 34 -2.516 -3.308 2.016 253 HB2 CYS 34 HB2 CYS 34 -3.328 -1.954 -0.560 254 HB3 CYS 34 HB3 CYS 34 -3.396 -1.274 1.062 255 H THR 35 H THR 35 -4.576 -3.357 2.866 256 HA THR 35 HA THR 35 -6.337 -5.282 1.597 257 HB THR 35 HB THR 35 -6.526 -3.949 4.309 258 HG1 THR 35 HG1 THR 35 -5.006 -5.990 3.369 259 HG21 THR 35 HG21 THR 35 -8.690 -4.792 3.371 260 HG22 THR 35 HG22 THR 35 -8.182 -5.592 4.862 261 HG23 THR 35 HG23 THR 35 -7.965 -6.402 3.311 262 HA PRO 36 HA PRO 36 -8.790 -1.997 0.019 263 HB2 PRO 36 HB2 PRO 36 -10.661 -3.431 -1.211 264 HB3 PRO 36 HB3 PRO 36 -8.976 -3.498 -1.737 265 HG2 PRO 36 HG2 PRO 36 -10.499 -5.423 -0.022 266 HG3 PRO 36 HG3 PRO 36 -9.396 -5.762 -1.366 267 HD2 PRO 36 HD2 PRO 36 -8.679 -5.857 1.291 268 HD3 PRO 36 HD3 PRO 36 -7.542 -5.576 -0.040 269 H LYS 37 H LYS 37 -11.498 -2.090 -0.326 270 HA LYS 37 HA LYS 37 -12.416 -1.297 2.256 271 HB2 LYS 37 HB2 LYS 37 -13.854 -1.599 -0.381 272 HB3 LYS 37 HB3 LYS 37 -14.637 -1.026 1.078 273 HG2 LYS 37 HG2 LYS 37 -14.099 0.866 -0.245 274 HG3 LYS 37 HG3 LYS 37 -12.996 0.856 1.129 275 HD2 LYS 37 HD2 LYS 37 -11.181 0.185 -0.189 276 HD3 LYS 37 HD3 LYS 37 -12.224 -0.359 -1.505 277 HE2 LYS 37 HE2 LYS 37 -11.061 1.745 -2.034 278 HE3 LYS 37 HE3 LYS 37 -12.812 1.929 -2.031 279 HZ1 LYS 37 HZ1 LYS 37 -12.686 2.930 0.144 280 HZ2 LYS 37 HZ2 LYS 37 -11.683 3.767 -0.924 281 HZ3 LYS 37 HZ3 LYS 37 -11.013 2.703 0.202 Start of MODEL 17 1 H1 VAL 1 H1 VAL 1 -5.277 -9.319 -3.525 2 H2 VAL 1 H2 VAL 1 -5.221 -8.906 -5.161 3 H3 VAL 1 H3 VAL 1 -6.642 -8.664 -4.279 4 HA VAL 1 HA VAL 1 -5.482 -6.593 -4.651 5 HB VAL 1 HB VAL 1 -5.204 -5.878 -2.252 6 HG11 VAL 1 HG11 VAL 1 -7.523 -5.914 -1.800 7 HG12 VAL 1 HG12 VAL 1 -7.756 -7.390 -2.735 8 HG13 VAL 1 HG13 VAL 1 -7.361 -5.880 -3.554 9 HG21 VAL 1 HG21 VAL 1 -4.426 -7.996 -1.329 10 HG22 VAL 1 HG22 VAL 1 -5.975 -8.745 -1.716 11 HG23 VAL 1 HG23 VAL 1 -5.895 -7.461 -0.509 12 H GLY 2 H GLY 2 -3.691 -5.246 -3.463 13 HA2 GLY 2 HA2 GLY 2 -1.385 -5.171 -2.833 14 HA3 GLY 2 HA3 GLY 2 -1.188 -6.781 -3.511 15 H ILE 3 H ILE 3 -0.555 -3.588 -4.023 16 HA ILE 3 HA ILE 3 -1.120 -3.612 -6.882 17 HB ILE 3 HB ILE 3 -0.717 -1.269 -6.858 18 HG12 ILE 3 HG12 ILE 3 0.335 -1.635 -4.048 19 HG13 ILE 3 HG13 ILE 3 1.325 -1.328 -5.465 20 HG21 ILE 3 HG21 ILE 3 -2.245 -0.535 -5.003 21 HG22 ILE 3 HG22 ILE 3 -2.191 -2.185 -4.394 22 HG23 ILE 3 HG23 ILE 3 -2.864 -1.857 -5.989 23 HD11 ILE 3 HD11 ILE 3 -0.613 0.512 -4.128 24 HD12 ILE 3 HD12 ILE 3 0.054 0.831 -5.724 25 HD13 ILE 3 HD13 ILE 3 1.123 0.717 -4.325 26 H ASN 4 H ASN 4 0.639 -2.263 -8.109 27 HA ASN 4 HA ASN 4 3.130 -3.798 -7.804 28 HB2 ASN 4 HB2 ASN 4 1.966 -4.124 -9.941 29 HB3 ASN 4 HB3 ASN 4 1.982 -2.389 -10.228 30 HD21 ASN 4 HD21 ASN 4 3.099 -2.592 -12.125 31 HD22 ASN 4 HD22 ASN 4 4.774 -3.020 -12.190 32 H VAL 5 H VAL 5 4.109 -2.478 -6.295 33 HA VAL 5 HA VAL 5 5.014 0.126 -7.240 34 HB VAL 5 HB VAL 5 2.805 0.177 -5.772 35 HG11 VAL 5 HG11 VAL 5 3.283 0.478 -3.402 36 HG12 VAL 5 HG12 VAL 5 4.949 -0.013 -3.679 37 HG13 VAL 5 HG13 VAL 5 3.634 -1.156 -3.956 38 HG21 VAL 5 HG21 VAL 5 3.412 2.391 -4.949 39 HG22 VAL 5 HG22 VAL 5 3.978 2.157 -6.603 40 HG23 VAL 5 HG23 VAL 5 5.113 2.053 -5.258 41 H ASP 6 H ASP 6 6.447 1.048 -5.260 42 HA ASP 6 HA ASP 6 8.008 -1.169 -4.138 43 HB2 ASP 6 HB2 ASP 6 9.248 1.291 -5.371 44 HB3 ASP 6 HB3 ASP 6 10.093 -0.066 -4.647 45 H CYS 7 H CYS 7 7.678 -0.926 -2.044 46 HA CYS 7 HA CYS 7 7.482 1.749 -0.900 47 HB2 CYS 7 HB2 CYS 7 6.997 0.444 1.242 48 HB3 CYS 7 HB3 CYS 7 5.792 0.377 -0.025 49 H LYS 8 H LYS 8 8.988 2.685 0.267 50 HA LYS 8 HA LYS 8 11.440 1.299 0.924 51 HB2 LYS 8 HB2 LYS 8 10.517 4.048 1.799 52 HB3 LYS 8 HB3 LYS 8 12.164 3.431 1.823 53 HG2 LYS 8 HG2 LYS 8 12.171 3.329 -0.612 54 HG3 LYS 8 HG3 LYS 8 10.509 3.921 -0.642 55 HD2 LYS 8 HD2 LYS 8 11.258 5.990 0.472 56 HD3 LYS 8 HD3 LYS 8 12.919 5.399 0.407 57 HE2 LYS 8 HE2 LYS 8 11.127 5.947 -1.955 58 HE3 LYS 8 HE3 LYS 8 12.475 6.946 -1.421 59 HZ1 LYS 8 HZ1 LYS 8 12.652 4.163 -2.441 60 HZ2 LYS 8 HZ2 LYS 8 13.959 5.069 -1.867 61 HZ3 LYS 8 HZ3 LYS 8 13.137 5.562 -3.256 62 H HIS 9 H HIS 9 8.370 1.913 2.263 63 HA HIS 9 HA HIS 9 8.786 0.217 4.473 64 HB2 HIS 9 HB2 HIS 9 8.254 1.971 6.253 65 HB3 HIS 9 HB3 HIS 9 9.903 1.936 5.639 66 HD1 HIS 9 HD1 HIS 9 10.744 3.992 4.425 67 HD2 HIS 9 HD2 HIS 9 6.738 4.242 5.489 68 HE1 HIS 9 HE1 HIS 9 10.058 6.342 3.913 69 HE2 HIS 9 HE2 HIS 9 7.715 6.543 4.831 70 H SER 10 H SER 10 6.808 0.246 5.955 71 HA SER 10 HA SER 10 4.552 -0.121 4.298 72 HB2 SER 10 HB2 SER 10 3.397 -0.403 6.589 73 HB3 SER 10 HB3 SER 10 4.695 -1.522 6.172 74 HG SER 10 HG SER 10 5.968 -0.634 7.643 75 H GLY 11 H GLY 11 5.448 2.455 6.542 76 HA2 GLY 11 HA2 GLY 11 3.003 3.725 6.828 77 HA3 GLY 11 HA3 GLY 11 4.559 4.520 6.957 78 H GLN 12 H GLN 12 5.258 3.992 4.134 79 HA GLN 12 HA GLN 12 3.771 6.261 3.063 80 HB2 GLN 12 HB2 GLN 12 5.460 6.364 1.331 81 HB3 GLN 12 HB3 GLN 12 6.229 6.259 2.910 82 HG2 GLN 12 HG2 GLN 12 6.787 3.978 2.580 83 HG3 GLN 12 HG3 GLN 12 5.783 3.880 1.137 84 HE21 GLN 12 HE21 GLN 12 7.788 6.653 1.766 85 HE22 GLN 12 HE22 GLN 12 8.932 6.350 0.508 86 H CYS 13 H CYS 13 3.308 3.034 3.072 87 HA CYS 13 HA CYS 13 2.771 2.543 0.296 88 HB2 CYS 13 HB2 CYS 13 3.395 0.719 1.805 89 HB3 CYS 13 HB3 CYS 13 1.966 1.018 2.784 90 H LEU 14 H LEU 14 1.114 3.880 2.951 91 HA LEU 14 HA LEU 14 -1.561 3.412 2.319 92 HB2 LEU 14 HB2 LEU 14 -0.143 5.630 3.765 93 HB3 LEU 14 HB3 LEU 14 -1.870 5.635 3.557 94 HG LEU 14 HG LEU 14 -1.357 4.822 5.754 95 HD11 LEU 14 HD11 LEU 14 -2.196 2.591 3.934 96 HD12 LEU 14 HD12 LEU 14 -3.250 3.802 4.658 97 HD13 LEU 14 HD13 LEU 14 -2.428 2.623 5.681 98 HD21 LEU 14 HD21 LEU 14 0.951 4.027 5.078 99 HD22 LEU 14 HD22 LEU 14 0.172 2.541 4.543 100 HD23 LEU 14 HD23 LEU 14 0.076 3.028 6.235 101 H LYS 15 H LYS 15 0.643 5.944 1.306 102 HA LYS 15 HA LYS 15 -1.139 7.680 0.141 103 HB2 LYS 15 HB2 LYS 15 0.996 8.491 0.563 104 HB3 LYS 15 HB3 LYS 15 1.779 7.133 -0.230 105 HG2 LYS 15 HG2 LYS 15 1.102 7.956 -2.373 106 HG3 LYS 15 HG3 LYS 15 0.230 9.296 -1.628 107 HD2 LYS 15 HD2 LYS 15 2.345 10.121 -0.680 108 HD3 LYS 15 HD3 LYS 15 3.207 8.795 -1.460 109 HE2 LYS 15 HE2 LYS 15 2.574 9.635 -3.646 110 HE3 LYS 15 HE3 LYS 15 1.616 10.913 -2.902 111 HZ1 LYS 15 HZ1 LYS 15 4.555 10.603 -2.615 112 HZ2 LYS 15 HZ2 LYS 15 3.618 11.854 -1.975 113 HZ3 LYS 15 HZ3 LYS 15 3.789 11.699 -3.649 114 HA PRO 16 HA PRO 16 -0.620 5.835 -4.175 115 HB2 PRO 16 HB2 PRO 16 0.838 3.654 -4.699 116 HB3 PRO 16 HB3 PRO 16 1.591 5.241 -4.498 117 HG2 PRO 16 HG2 PRO 16 1.342 2.996 -2.528 118 HG3 PRO 16 HG3 PRO 16 2.760 3.998 -2.904 119 HD2 PRO 16 HD2 PRO 16 1.142 4.452 -0.752 120 HD3 PRO 16 HD3 PRO 16 2.038 5.737 -1.586 121 H CYS 17 H CYS 17 -0.827 3.287 -1.729 122 HA CYS 17 HA CYS 17 -2.233 1.506 -3.474 123 HB2 CYS 17 HB2 CYS 17 -0.758 0.893 -1.452 124 HB3 CYS 17 HB3 CYS 17 -2.178 1.260 -0.478 125 H LYS 18 H LYS 18 -3.126 4.030 -1.273 126 HA LYS 18 HA LYS 18 -5.852 3.215 -0.981 127 HB2 LYS 18 HB2 LYS 18 -4.486 4.752 0.533 128 HB3 LYS 18 HB3 LYS 18 -4.768 6.001 -0.669 129 HG2 LYS 18 HG2 LYS 18 -7.158 5.819 -0.346 130 HG3 LYS 18 HG3 LYS 18 -6.916 4.507 0.814 131 HD2 LYS 18 HD2 LYS 18 -5.519 6.081 2.159 132 HD3 LYS 18 HD3 LYS 18 -6.037 7.373 1.076 133 HE2 LYS 18 HE2 LYS 18 -7.843 5.656 2.774 134 HE3 LYS 18 HE3 LYS 18 -7.403 7.332 3.097 135 HZ1 LYS 18 HZ1 LYS 18 -9.564 7.224 2.078 136 HZ2 LYS 18 HZ2 LYS 18 -8.962 6.342 0.770 137 HZ3 LYS 18 HZ3 LYS 18 -8.482 7.949 0.996 138 H LYS 19 H LYS 19 -4.048 5.324 -3.131 139 HA LYS 19 HA LYS 19 -6.314 6.348 -4.522 140 HB2 LYS 19 HB2 LYS 19 -4.142 7.507 -4.518 141 HB3 LYS 19 HB3 LYS 19 -3.418 6.163 -5.387 142 HG2 LYS 19 HG2 LYS 19 -3.883 8.016 -6.882 143 HG3 LYS 19 HG3 LYS 19 -4.866 6.613 -7.302 144 HD2 LYS 19 HD2 LYS 19 -6.777 7.597 -6.138 145 HD3 LYS 19 HD3 LYS 19 -5.794 8.995 -5.699 146 HE2 LYS 19 HE2 LYS 19 -5.514 9.559 -8.045 147 HE3 LYS 19 HE3 LYS 19 -6.421 8.125 -8.519 148 HZ1 LYS 19 HZ1 LYS 19 -7.502 10.399 -6.943 149 HZ2 LYS 19 HZ2 LYS 19 -8.367 9.030 -7.434 150 HZ3 LYS 19 HZ3 LYS 19 -7.787 10.118 -8.587 151 H ALA 20 H ALA 20 -4.393 3.473 -4.730 152 HA ALA 20 HA ALA 20 -5.175 2.598 -7.297 153 HB1 ALA 20 HB1 ALA 20 -3.309 1.606 -6.018 154 HB2 ALA 20 HB2 ALA 20 -4.461 0.395 -6.580 155 HB3 ALA 20 HB3 ALA 20 -4.477 0.909 -4.895 156 H GLY 21 H GLY 21 -6.456 1.805 -4.065 157 HA2 GLY 21 HA2 GLY 21 -9.090 2.104 -4.447 158 HA3 GLY 21 HA3 GLY 21 -8.800 0.575 -5.258 159 H MET 22 H MET 22 -6.637 0.802 -2.728 160 HA MET 22 HA MET 22 -8.432 -0.821 -1.076 161 HB2 MET 22 HB2 MET 22 -5.416 -0.714 -1.158 162 HB3 MET 22 HB3 MET 22 -6.334 -1.639 0.023 163 HG2 MET 22 HG2 MET 22 -5.724 -3.179 -1.634 164 HG3 MET 22 HG3 MET 22 -7.424 -2.810 -1.936 165 HE1 MET 22 HE1 MET 22 -6.221 -3.304 -5.587 166 HE2 MET 22 HE2 MET 22 -7.450 -3.688 -4.382 167 HE3 MET 22 HE3 MET 22 -5.793 -4.254 -4.165 168 H ARG 23 H ARG 23 -7.400 -0.684 1.406 169 HA ARG 23 HA ARG 23 -8.036 2.122 1.997 170 HB2 ARG 23 HB2 ARG 23 -8.296 -0.374 3.674 171 HB3 ARG 23 HB3 ARG 23 -8.603 1.240 4.294 172 HG2 ARG 23 HG2 ARG 23 -10.256 1.450 2.338 173 HG3 ARG 23 HG3 ARG 23 -10.111 -0.303 2.238 174 HD2 ARG 23 HD2 ARG 23 -10.796 1.078 4.804 175 HD3 ARG 23 HD3 ARG 23 -12.029 0.637 3.624 176 HE ARG 23 HE ARG 23 -10.870 -1.697 3.906 177 HH11 ARG 23 HH11 ARG 23 -11.608 0.663 6.383 178 HH12 ARG 23 HH12 ARG 23 -11.829 -0.524 7.628 179 HH21 ARG 23 HH21 ARG 23 -11.160 -3.257 5.528 180 HH22 ARG 23 HH22 ARG 23 -11.571 -2.767 7.143 181 H PHE 24 H PHE 24 -5.967 -0.465 3.241 182 HA PHE 24 HA PHE 24 -4.218 1.594 4.410 183 HB2 PHE 24 HB2 PHE 24 -3.987 -1.297 5.132 184 HB3 PHE 24 HB3 PHE 24 -3.748 0.133 6.140 185 HD1 PHE 24 HD2 PHE 24 -5.739 1.340 7.040 186 HD2 PHE 24 HD1 PHE 24 -6.038 -2.320 4.929 187 HE1 PHE 24 HE2 PHE 24 -8.035 1.050 7.875 188 HE2 PHE 24 HE1 PHE 24 -8.333 -2.623 5.744 189 HZ PHE 24 HZ PHE 24 -9.335 -0.937 7.235 190 H GLY 25 H GLY 25 -1.984 -0.167 4.767 191 HA2 GLY 25 HA2 GLY 25 -1.250 -1.439 2.356 192 HA3 GLY 25 HA3 GLY 25 -0.617 0.206 2.369 193 H LYS 26 H LYS 26 0.517 -2.672 2.659 194 HA LYS 26 HA LYS 26 2.325 -1.927 4.857 195 HB2 LYS 26 HB2 LYS 26 1.238 -4.658 4.176 196 HB3 LYS 26 HB3 LYS 26 2.609 -4.402 5.243 197 HG2 LYS 26 HG2 LYS 26 1.221 -3.118 6.758 198 HG3 LYS 26 HG3 LYS 26 -0.164 -3.325 5.684 199 HD2 LYS 26 HD2 LYS 26 -0.049 -5.749 6.008 200 HD3 LYS 26 HD3 LYS 26 1.336 -5.539 7.083 201 HE2 LYS 26 HE2 LYS 26 -0.707 -5.839 8.368 202 HE3 LYS 26 HE3 LYS 26 -0.053 -4.221 8.608 203 HZ1 LYS 26 HZ1 LYS 26 -2.290 -4.923 6.789 204 HZ2 LYS 26 HZ2 LYS 26 -1.670 -3.370 7.033 205 HZ3 LYS 26 HZ3 LYS 26 -2.443 -4.178 8.298 206 H CYS 27 H CYS 27 4.441 -3.135 4.664 207 HA CYS 27 HA CYS 27 5.241 -3.106 1.828 208 HB2 CYS 27 HB2 CYS 27 6.217 -1.365 3.454 209 HB3 CYS 27 HB3 CYS 27 7.120 -2.708 4.150 210 H ILE 28 H ILE 28 5.195 -5.167 1.191 211 HA ILE 28 HA ILE 28 5.981 -7.239 3.091 212 HB ILE 28 HB ILE 28 4.395 -7.342 0.521 213 HG12 ILE 28 HG12 ILE 28 2.676 -8.318 2.100 214 HG13 ILE 28 HG13 ILE 28 3.749 -7.872 3.418 215 HG21 ILE 28 HG21 ILE 28 4.092 -9.700 0.809 216 HG22 ILE 28 HG22 ILE 28 5.128 -9.704 2.239 217 HG23 ILE 28 HG23 ILE 28 5.815 -9.353 0.651 218 HD11 ILE 28 HD11 ILE 28 2.559 -5.951 1.443 219 HD12 ILE 28 HD12 ILE 28 3.535 -5.546 2.854 220 HD13 ILE 28 HD13 ILE 28 1.939 -6.267 3.065 221 H ASN 29 H ASN 29 6.235 -7.785 -0.379 222 HA ASN 29 HA ASN 29 9.108 -8.205 -0.047 223 HB2 ASN 29 HB2 ASN 29 7.141 -9.000 -2.175 224 HB3 ASN 29 HB3 ASN 29 8.878 -9.062 -2.476 225 HD21 ASN 29 HD21 ASN 29 8.070 -9.448 0.738 226 HD22 ASN 29 HD22 ASN 29 8.186 -11.182 0.838 227 H GLY 30 H GLY 30 8.563 -5.705 0.270 228 HA2 GLY 30 HA2 GLY 30 9.095 -3.576 -0.476 229 HA3 GLY 30 HA3 GLY 30 9.764 -4.307 -1.930 230 H LYS 31 H LYS 31 6.684 -5.428 -1.429 231 HA LYS 31 HA LYS 31 5.576 -3.493 -3.336 232 HB2 LYS 31 HB2 LYS 31 4.108 -5.336 -4.096 233 HB3 LYS 31 HB3 LYS 31 5.813 -5.688 -4.318 234 HG2 LYS 31 HG2 LYS 31 5.025 -7.689 -3.523 235 HG3 LYS 31 HG3 LYS 31 5.598 -6.923 -2.045 236 HD2 LYS 31 HD2 LYS 31 3.478 -7.887 -1.558 237 HD3 LYS 31 HD3 LYS 31 3.238 -6.142 -1.653 238 HE2 LYS 31 HE2 LYS 31 1.434 -7.285 -2.791 239 HE3 LYS 31 HE3 LYS 31 2.414 -6.407 -3.960 240 HZ1 LYS 31 HZ1 LYS 31 2.702 -9.307 -3.397 241 HZ2 LYS 31 HZ2 LYS 31 3.457 -8.433 -4.632 242 HZ3 LYS 31 HZ3 LYS 31 1.786 -8.675 -4.670 243 H CYS 32 H CYS 32 3.236 -3.152 -3.175 244 HA CYS 32 HA CYS 32 2.547 -2.803 -0.371 245 HB2 CYS 32 HB2 CYS 32 1.850 -1.428 -2.903 246 HB3 CYS 32 HB3 CYS 32 0.592 -1.484 -1.668 247 H ASP 33 H ASP 33 1.843 -4.912 0.155 248 HA ASP 33 HA ASP 33 -0.667 -5.795 -1.019 249 HB2 ASP 33 HB2 ASP 33 1.005 -7.430 -0.130 250 HB3 ASP 33 HB3 ASP 33 0.730 -6.763 1.479 251 H CYS 34 H CYS 34 -2.621 -5.127 -0.310 252 HA CYS 34 HA CYS 34 -2.737 -3.647 2.225 253 HB2 CYS 34 HB2 CYS 34 -4.042 -2.640 -0.295 254 HB3 CYS 34 HB3 CYS 34 -3.785 -1.779 1.217 255 H THR 35 H THR 35 -4.918 -3.364 3.051 256 HA THR 35 HA THR 35 -6.710 -5.500 2.163 257 HB THR 35 HB THR 35 -6.958 -3.742 4.613 258 HG1 THR 35 HG1 THR 35 -5.756 -6.284 4.208 259 HG21 THR 35 HG21 THR 35 -9.047 -4.805 3.740 260 HG22 THR 35 HG22 THR 35 -8.598 -5.311 5.372 261 HG23 THR 35 HG23 THR 35 -8.284 -6.377 4.001 262 HA PRO 36 HA PRO 36 -9.031 -2.327 0.121 263 HB2 PRO 36 HB2 PRO 36 -10.880 -3.886 -1.008 264 HB3 PRO 36 HB3 PRO 36 -9.188 -3.973 -1.505 265 HG2 PRO 36 HG2 PRO 36 -10.723 -5.782 0.316 266 HG3 PRO 36 HG3 PRO 36 -9.561 -6.198 -0.956 267 HD2 PRO 36 HD2 PRO 36 -8.962 -6.064 1.735 268 HD3 PRO 36 HD3 PRO 36 -7.773 -5.902 0.432 269 H LYS 37 H LYS 37 -11.745 -2.479 -0.269 270 HA LYS 37 HA LYS 37 -12.714 -1.521 2.231 271 HB2 LYS 37 HB2 LYS 37 -14.951 -1.633 0.691 272 HB3 LYS 37 HB3 LYS 37 -13.809 -0.303 0.698 273 HG2 LYS 37 HG2 LYS 37 -14.268 -0.813 -1.565 274 HG3 LYS 37 HG3 LYS 37 -12.642 -1.396 -1.231 275 HD2 LYS 37 HD2 LYS 37 -13.755 -3.055 -2.533 276 HD3 LYS 37 HD3 LYS 37 -13.626 -3.675 -0.886 277 HE2 LYS 37 HE2 LYS 37 -15.941 -2.995 -0.458 278 HE3 LYS 37 HE3 LYS 37 -16.065 -2.387 -2.109 279 HZ1 LYS 37 HZ1 LYS 37 -17.033 -4.569 -1.948 280 HZ2 LYS 37 HZ2 LYS 37 -15.606 -5.209 -1.308 281 HZ3 LYS 37 HZ3 LYS 37 -15.640 -4.648 -2.902 Start of MODEL 18 1 H1 VAL 1 H1 VAL 1 -4.927 -9.521 -2.274 2 H2 VAL 1 H2 VAL 1 -4.826 -9.751 -3.943 3 H3 VAL 1 H3 VAL 1 -6.307 -9.348 -3.237 4 HA VAL 1 HA VAL 1 -5.335 -7.456 -4.347 5 HB VAL 1 HB VAL 1 -5.215 -5.893 -2.344 6 HG11 VAL 1 HG11 VAL 1 -7.578 -6.041 -1.914 7 HG12 VAL 1 HG12 VAL 1 -7.620 -7.698 -2.517 8 HG13 VAL 1 HG13 VAL 1 -7.272 -6.367 -3.620 9 HG21 VAL 1 HG21 VAL 1 -4.404 -7.426 -0.677 10 HG22 VAL 1 HG22 VAL 1 -5.806 -8.471 -0.897 11 HG23 VAL 1 HG23 VAL 1 -6.004 -6.861 -0.205 12 H GLY 2 H GLY 2 -3.745 -5.550 -3.622 13 HA2 GLY 2 HA2 GLY 2 -1.413 -5.268 -2.820 14 HA3 GLY 2 HA3 GLY 2 -1.102 -6.853 -3.513 15 H ILE 3 H ILE 3 -0.403 -3.794 -4.028 16 HA ILE 3 HA ILE 3 -1.108 -3.746 -6.883 17 HB ILE 3 HB ILE 3 -0.798 -1.381 -6.809 18 HG12 ILE 3 HG12 ILE 3 0.250 -1.781 -3.997 19 HG13 ILE 3 HG13 ILE 3 1.236 -1.397 -5.400 20 HG21 ILE 3 HG21 ILE 3 -2.392 -0.749 -5.002 21 HG22 ILE 3 HG22 ILE 3 -2.231 -2.373 -4.349 22 HG23 ILE 3 HG23 ILE 3 -2.921 -2.134 -5.953 23 HD11 ILE 3 HD11 ILE 3 -0.687 0.323 -3.927 24 HD12 ILE 3 HD12 ILE 3 -0.242 0.695 -5.586 25 HD13 ILE 3 HD13 ILE 3 0.996 0.633 -4.332 26 H ASN 4 H ASN 4 0.593 -2.246 -8.051 27 HA ASN 4 HA ASN 4 3.234 -3.475 -7.666 28 HB2 ASN 4 HB2 ASN 4 2.314 -3.900 -9.877 29 HB3 ASN 4 HB3 ASN 4 2.002 -2.183 -10.112 30 HD21 ASN 4 HD21 ASN 4 4.434 -4.660 -9.959 31 HD22 ASN 4 HD22 ASN 4 5.701 -3.738 -10.688 32 H VAL 5 H VAL 5 4.550 -2.212 -6.550 33 HA VAL 5 HA VAL 5 4.896 0.565 -7.159 34 HB VAL 5 HB VAL 5 2.735 0.262 -5.665 35 HG11 VAL 5 HG11 VAL 5 3.240 0.401 -3.277 36 HG12 VAL 5 HG12 VAL 5 4.932 0.074 -3.627 37 HG13 VAL 5 HG13 VAL 5 3.704 -1.140 -3.987 38 HG21 VAL 5 HG21 VAL 5 3.107 2.436 -4.649 39 HG22 VAL 5 HG22 VAL 5 3.712 2.421 -6.306 40 HG23 VAL 5 HG23 VAL 5 4.838 2.307 -4.955 41 H ASP 6 H ASP 6 6.263 1.503 -5.141 42 HA ASP 6 HA ASP 6 8.130 -0.586 -4.234 43 HB2 ASP 6 HB2 ASP 6 8.916 2.198 -5.118 44 HB3 ASP 6 HB3 ASP 6 10.000 0.955 -4.513 45 H CYS 7 H CYS 7 7.868 -0.676 -2.103 46 HA CYS 7 HA CYS 7 7.041 1.720 -0.679 47 HB2 CYS 7 HB2 CYS 7 6.981 0.094 1.313 48 HB3 CYS 7 HB3 CYS 7 5.753 -0.052 0.078 49 H LYS 8 H LYS 8 8.428 3.004 0.210 50 HA LYS 8 HA LYS 8 11.066 2.206 0.991 51 HB2 LYS 8 HB2 LYS 8 9.473 4.630 1.870 52 HB3 LYS 8 HB3 LYS 8 11.217 4.426 1.980 53 HG2 LYS 8 HG2 LYS 8 11.437 4.481 -0.407 54 HG3 LYS 8 HG3 LYS 8 9.684 4.485 -0.610 55 HD2 LYS 8 HD2 LYS 8 10.470 6.721 -0.926 56 HD3 LYS 8 HD3 LYS 8 9.621 6.655 0.620 57 HE2 LYS 8 HE2 LYS 8 11.628 7.939 0.897 58 HE3 LYS 8 HE3 LYS 8 11.814 6.410 1.753 59 HZ1 LYS 8 HZ1 LYS 8 12.892 6.969 -0.958 60 HZ2 LYS 8 HZ2 LYS 8 13.152 5.571 -0.041 61 HZ3 LYS 8 HZ3 LYS 8 13.793 7.049 0.472 62 H HIS 9 H HIS 9 7.888 2.223 2.308 63 HA HIS 9 HA HIS 9 8.446 0.412 4.350 64 HB2 HIS 9 HB2 HIS 9 7.943 1.876 6.349 65 HB3 HIS 9 HB3 HIS 9 9.538 2.094 5.640 66 HD1 HIS 9 HD1 HIS 9 9.928 4.328 4.310 67 HD2 HIS 9 HD2 HIS 9 6.342 4.117 6.395 68 HE1 HIS 9 HE1 HIS 9 9.030 6.659 4.341 69 HE2 HIS 9 HE2 HIS 9 7.020 6.553 5.854 70 H SER 10 H SER 10 6.474 0.090 5.790 71 HA SER 10 HA SER 10 4.257 -0.096 4.069 72 HB2 SER 10 HB2 SER 10 3.066 -0.769 6.249 73 HB3 SER 10 HB3 SER 10 4.427 -1.753 5.711 74 HG SER 10 HG SER 10 4.269 0.067 7.845 75 H GLY 11 H GLY 11 5.059 2.207 6.608 76 HA2 GLY 11 HA2 GLY 11 2.607 3.430 6.993 77 HA3 GLY 11 HA3 GLY 11 4.154 4.245 7.143 78 H GLN 12 H GLN 12 4.941 4.006 4.393 79 HA GLN 12 HA GLN 12 3.280 6.172 3.378 80 HB2 GLN 12 HB2 GLN 12 5.074 6.584 1.777 81 HB3 GLN 12 HB3 GLN 12 5.695 6.527 3.415 82 HG2 GLN 12 HG2 GLN 12 7.286 5.322 2.338 83 HG3 GLN 12 HG3 GLN 12 6.190 4.031 2.819 84 HE21 GLN 12 HE21 GLN 12 5.599 6.297 0.200 85 HE22 GLN 12 HE22 GLN 12 5.693 5.128 -1.070 86 H CYS 13 H CYS 13 3.156 2.946 3.189 87 HA CYS 13 HA CYS 13 2.754 2.561 0.366 88 HB2 CYS 13 HB2 CYS 13 3.510 0.681 1.681 89 HB3 CYS 13 HB3 CYS 13 2.145 0.835 2.776 90 H LEU 14 H LEU 14 0.928 3.572 3.049 91 HA LEU 14 HA LEU 14 -1.690 2.985 2.326 92 HB2 LEU 14 HB2 LEU 14 -0.371 5.134 3.920 93 HB3 LEU 14 HB3 LEU 14 -2.066 5.282 3.555 94 HG LEU 14 HG LEU 14 -2.519 3.169 4.717 95 HD11 LEU 14 HD11 LEU 14 0.445 3.204 5.166 96 HD12 LEU 14 HD12 LEU 14 -0.501 1.956 4.361 97 HD13 LEU 14 HD13 LEU 14 -0.665 2.205 6.101 98 HD21 LEU 14 HD21 LEU 14 -0.895 5.133 6.316 99 HD22 LEU 14 HD22 LEU 14 -2.017 3.947 6.984 100 HD23 LEU 14 HD23 LEU 14 -2.619 5.255 5.964 101 H LYS 15 H LYS 15 0.400 5.651 1.379 102 HA LYS 15 HA LYS 15 -1.514 7.297 0.244 103 HB2 LYS 15 HB2 LYS 15 0.536 8.266 0.806 104 HB3 LYS 15 HB3 LYS 15 1.458 7.045 -0.059 105 HG2 LYS 15 HG2 LYS 15 0.614 7.935 -2.162 106 HG3 LYS 15 HG3 LYS 15 -0.228 9.212 -1.284 107 HD2 LYS 15 HD2 LYS 15 1.932 9.985 -0.387 108 HD3 LYS 15 HD3 LYS 15 2.754 8.729 -1.315 109 HE2 LYS 15 HE2 LYS 15 1.861 9.719 -3.387 110 HE3 LYS 15 HE3 LYS 15 1.122 11.002 -2.433 111 HZ1 LYS 15 HZ1 LYS 15 3.210 11.722 -3.374 112 HZ2 LYS 15 HZ2 LYS 15 4.029 10.442 -2.634 113 HZ3 LYS 15 HZ3 LYS 15 3.332 11.657 -1.688 114 HA PRO 16 HA PRO 16 -0.488 5.736 -4.138 115 HB2 PRO 16 HB2 PRO 16 0.964 3.508 -4.553 116 HB3 PRO 16 HB3 PRO 16 1.726 5.086 -4.308 117 HG2 PRO 16 HG2 PRO 16 1.268 2.874 -2.332 118 HG3 PRO 16 HG3 PRO 16 2.746 3.819 -2.624 119 HD2 PRO 16 HD2 PRO 16 1.066 4.397 -0.589 120 HD3 PRO 16 HD3 PRO 16 1.953 5.661 -1.464 121 H CYS 17 H CYS 17 -0.944 3.206 -1.735 122 HA CYS 17 HA CYS 17 -2.391 1.517 -3.551 123 HB2 CYS 17 HB2 CYS 17 -1.033 0.741 -1.529 124 HB3 CYS 17 HB3 CYS 17 -2.397 1.274 -0.549 125 H LYS 18 H LYS 18 -3.138 4.083 -1.349 126 HA LYS 18 HA LYS 18 -5.919 3.631 -1.124 127 HB2 LYS 18 HB2 LYS 18 -4.498 5.162 0.280 128 HB3 LYS 18 HB3 LYS 18 -4.453 6.267 -1.086 129 HG2 LYS 18 HG2 LYS 18 -6.780 6.671 -0.948 130 HG3 LYS 18 HG3 LYS 18 -7.001 5.355 0.211 131 HD2 LYS 18 HD2 LYS 18 -7.015 7.448 1.404 132 HD3 LYS 18 HD3 LYS 18 -5.534 6.562 1.786 133 HE2 LYS 18 HE2 LYS 18 -5.119 8.956 1.413 134 HE3 LYS 18 HE3 LYS 18 -4.267 7.934 0.260 135 HZ1 LYS 18 HZ1 LYS 18 -5.309 9.878 -0.773 136 HZ2 LYS 18 HZ2 LYS 18 -6.832 9.324 -0.289 137 HZ3 LYS 18 HZ3 LYS 18 -5.918 8.429 -1.391 138 H LYS 19 H LYS 19 -3.884 5.368 -3.405 139 HA LYS 19 HA LYS 19 -5.980 6.390 -5.026 140 HB2 LYS 19 HB2 LYS 19 -3.573 7.177 -4.984 141 HB3 LYS 19 HB3 LYS 19 -3.154 5.728 -5.879 142 HG2 LYS 19 HG2 LYS 19 -3.316 7.541 -7.415 143 HG3 LYS 19 HG3 LYS 19 -4.688 6.467 -7.687 144 HD2 LYS 19 HD2 LYS 19 -5.440 8.759 -7.762 145 HD3 LYS 19 HD3 LYS 19 -6.094 7.981 -6.321 146 HE2 LYS 19 HE2 LYS 19 -5.321 10.208 -5.774 147 HE3 LYS 19 HE3 LYS 19 -4.302 9.013 -4.979 148 HZ1 LYS 19 HZ1 LYS 19 -3.637 10.508 -7.456 149 HZ2 LYS 19 HZ2 LYS 19 -2.665 9.318 -6.754 150 HZ3 LYS 19 HZ3 LYS 19 -2.964 10.759 -5.926 151 H ALA 20 H ALA 20 -4.313 3.361 -4.793 152 HA ALA 20 HA ALA 20 -5.273 2.292 -7.275 153 HB1 ALA 20 HB1 ALA 20 -4.004 0.951 -4.887 154 HB2 ALA 20 HB2 ALA 20 -3.196 1.474 -6.365 155 HB3 ALA 20 HB3 ALA 20 -4.364 0.157 -6.422 156 H GLY 21 H GLY 21 -6.648 2.810 -4.218 157 HA2 GLY 21 HA2 GLY 21 -9.126 2.641 -4.400 158 HA3 GLY 21 HA3 GLY 21 -8.861 0.998 -4.956 159 H MET 22 H MET 22 -6.642 0.750 -2.869 160 HA MET 22 HA MET 22 -8.478 -0.334 -0.914 161 HB2 MET 22 HB2 MET 22 -5.489 -0.585 -1.212 162 HB3 MET 22 HB3 MET 22 -6.394 -1.311 0.109 163 HG2 MET 22 HG2 MET 22 -6.093 -3.011 -1.479 164 HG3 MET 22 HG3 MET 22 -7.769 -2.489 -1.640 165 HE1 MET 22 HE1 MET 22 -6.945 -3.401 -5.326 166 HE2 MET 22 HE2 MET 22 -8.088 -3.582 -3.996 167 HE3 MET 22 HE3 MET 22 -6.463 -4.253 -3.859 168 H ARG 23 H ARG 23 -7.509 -0.246 1.487 169 HA ARG 23 HA ARG 23 -7.630 2.623 2.060 170 HB2 ARG 23 HB2 ARG 23 -8.111 0.197 3.787 171 HB3 ARG 23 HB3 ARG 23 -8.108 1.836 4.421 172 HG2 ARG 23 HG2 ARG 23 -9.888 2.347 2.689 173 HG3 ARG 23 HG3 ARG 23 -9.999 0.602 2.457 174 HD2 ARG 23 HD2 ARG 23 -10.290 1.905 5.149 175 HD3 ARG 23 HD3 ARG 23 -11.657 1.631 4.070 176 HE ARG 23 HE ARG 23 -10.533 -0.815 4.230 177 HH11 ARG 23 HH11 ARG 23 -11.503 1.500 6.675 178 HH12 ARG 23 HH12 ARG 23 -11.874 0.282 7.852 179 HH21 ARG 23 HH21 ARG 23 -11.020 -2.401 5.771 180 HH22 ARG 23 HH22 ARG 23 -11.613 -1.938 7.336 181 H PHE 24 H PHE 24 -5.874 -0.174 3.381 182 HA PHE 24 HA PHE 24 -3.631 1.642 3.996 183 HB2 PHE 24 HB2 PHE 24 -3.600 -0.710 5.654 184 HB3 PHE 24 HB3 PHE 24 -3.651 0.982 6.144 185 HD1 PHE 24 HD1 PHE 24 -5.812 -1.723 4.867 186 HD2 PHE 24 HD2 PHE 24 -5.523 1.740 7.294 187 HE1 PHE 24 HE1 PHE 24 -8.107 -2.091 5.628 188 HE2 PHE 24 HE2 PHE 24 -7.829 1.391 8.077 189 HZ PHE 24 HZ PHE 24 -9.126 -0.531 7.248 190 H GLY 25 H GLY 25 -1.527 0.577 4.075 191 HA2 GLY 25 HA2 GLY 25 -1.401 -1.821 2.369 192 HA3 GLY 25 HA3 GLY 25 -0.456 -0.394 1.962 193 H LYS 26 H LYS 26 0.563 -3.012 2.479 194 HA LYS 26 HA LYS 26 2.295 -2.339 4.767 195 HB2 LYS 26 HB2 LYS 26 0.706 -4.268 5.188 196 HB3 LYS 26 HB3 LYS 26 1.528 -5.127 3.901 197 HG2 LYS 26 HG2 LYS 26 2.382 -5.903 5.980 198 HG3 LYS 26 HG3 LYS 26 3.637 -4.944 5.196 199 HD2 LYS 26 HD2 LYS 26 3.163 -3.066 6.626 200 HD3 LYS 26 HD3 LYS 26 1.772 -3.899 7.323 201 HE2 LYS 26 HE2 LYS 26 3.200 -5.554 8.324 202 HE3 LYS 26 HE3 LYS 26 4.611 -4.887 7.509 203 HZ1 LYS 26 HZ1 LYS 26 4.349 -2.858 8.793 204 HZ2 LYS 26 HZ2 LYS 26 4.510 -4.190 9.816 205 HZ3 LYS 26 HZ3 LYS 26 2.991 -3.495 9.571 206 H CYS 27 H CYS 27 4.513 -3.195 4.509 207 HA CYS 27 HA CYS 27 5.230 -3.277 1.664 208 HB2 CYS 27 HB2 CYS 27 6.201 -1.416 2.994 209 HB3 CYS 27 HB3 CYS 27 7.003 -2.601 4.017 210 H ILE 28 H ILE 28 5.164 -5.353 1.125 211 HA ILE 28 HA ILE 28 6.212 -7.365 2.944 212 HB ILE 28 HB ILE 28 4.626 -7.576 0.369 213 HG12 ILE 28 HG12 ILE 28 3.003 -8.691 2.014 214 HG13 ILE 28 HG13 ILE 28 3.996 -7.974 3.277 215 HG21 ILE 28 HG21 ILE 28 4.618 -9.860 0.414 216 HG22 ILE 28 HG22 ILE 28 5.140 -9.952 2.097 217 HG23 ILE 28 HG23 ILE 28 6.297 -9.513 0.837 218 HD11 ILE 28 HD11 ILE 28 2.644 -6.444 1.079 219 HD12 ILE 28 HD12 ILE 28 3.529 -5.772 2.453 220 HD13 ILE 28 HD13 ILE 28 2.017 -6.644 2.718 221 H ASN 29 H ASN 29 6.535 -8.290 -0.337 222 HA ASN 29 HA ASN 29 9.430 -8.171 -0.049 223 HB2 ASN 29 HB2 ASN 29 9.379 -9.611 -2.153 224 HB3 ASN 29 HB3 ASN 29 8.722 -10.327 -0.690 225 HD21 ASN 29 HD21 ASN 29 7.020 -7.946 -2.631 226 HD22 ASN 29 HD22 ASN 29 5.806 -9.028 -3.221 227 H GLY 30 H GLY 30 8.554 -5.703 -0.327 228 HA2 GLY 30 HA2 GLY 30 8.919 -3.802 -1.610 229 HA3 GLY 30 HA3 GLY 30 9.476 -4.838 -2.920 230 H LYS 31 H LYS 31 6.513 -5.617 -1.449 231 HA LYS 31 HA LYS 31 5.011 -4.543 -3.728 232 HB2 LYS 31 HB2 LYS 31 5.039 -6.902 -3.991 233 HB3 LYS 31 HB3 LYS 31 4.827 -7.175 -2.267 234 HG2 LYS 31 HG2 LYS 31 2.580 -5.861 -2.741 235 HG3 LYS 31 HG3 LYS 31 2.825 -6.544 -4.351 236 HD2 LYS 31 HD2 LYS 31 3.031 -8.787 -3.318 237 HD3 LYS 31 HD3 LYS 31 2.683 -8.060 -1.743 238 HE2 LYS 31 HE2 LYS 31 0.516 -7.288 -2.600 239 HE3 LYS 31 HE3 LYS 31 0.857 -8.056 -4.149 240 HZ1 LYS 31 HZ1 LYS 31 -0.558 -9.457 -2.824 241 HZ2 LYS 31 HZ2 LYS 31 0.536 -9.432 -1.535 242 HZ3 LYS 31 HZ3 LYS 31 0.954 -10.199 -2.985 243 H CYS 32 H CYS 32 3.202 -3.390 -3.218 244 HA CYS 32 HA CYS 32 2.570 -3.034 -0.416 245 HB2 CYS 32 HB2 CYS 32 1.918 -1.589 -2.918 246 HB3 CYS 32 HB3 CYS 32 0.663 -1.591 -1.679 247 H ASP 33 H ASP 33 1.889 -5.263 -0.081 248 HA ASP 33 HA ASP 33 -0.713 -5.983 -1.105 249 HB2 ASP 33 HB2 ASP 33 0.890 -7.709 -0.350 250 HB3 ASP 33 HB3 ASP 33 0.802 -7.063 1.285 251 H CYS 34 H CYS 34 -2.636 -5.344 -0.287 252 HA CYS 34 HA CYS 34 -2.488 -3.545 2.039 253 HB2 CYS 34 HB2 CYS 34 -4.082 -3.131 -0.489 254 HB3 CYS 34 HB3 CYS 34 -3.977 -2.023 0.871 255 H THR 35 H THR 35 -4.802 -2.879 2.717 256 HA THR 35 HA THR 35 -6.678 -5.111 2.376 257 HB THR 35 HB THR 35 -6.304 -3.426 4.869 258 HG1 THR 35 HG1 THR 35 -5.748 -6.161 4.270 259 HG21 THR 35 HG21 THR 35 -8.677 -4.132 4.221 260 HG22 THR 35 HG22 THR 35 -8.115 -4.591 5.833 261 HG23 THR 35 HG23 THR 35 -8.141 -5.785 4.534 262 HA PRO 36 HA PRO 36 -8.956 -1.698 0.694 263 HB2 PRO 36 HB2 PRO 36 -11.015 -3.092 -0.266 264 HB3 PRO 36 HB3 PRO 36 -9.411 -3.238 -0.975 265 HG2 PRO 36 HG2 PRO 36 -10.838 -5.085 0.881 266 HG3 PRO 36 HG3 PRO 36 -9.789 -5.461 -0.497 267 HD2 PRO 36 HD2 PRO 36 -9.004 -5.485 2.163 268 HD3 PRO 36 HD3 PRO 36 -7.909 -5.370 0.777 269 H LYS 37 H LYS 37 -11.717 -1.642 0.592 270 HA LYS 37 HA LYS 37 -12.389 -0.822 3.243 271 HB2 LYS 37 HB2 LYS 37 -13.979 -1.016 0.701 272 HB3 LYS 37 HB3 LYS 37 -14.750 -0.620 2.226 273 HG2 LYS 37 HG2 LYS 37 -14.368 1.463 1.381 274 HG3 LYS 37 HG3 LYS 37 -12.907 1.228 2.338 275 HD2 LYS 37 HD2 LYS 37 -11.661 0.620 0.363 276 HD3 LYS 37 HD3 LYS 37 -13.127 0.687 -0.621 277 HE2 LYS 37 HE2 LYS 37 -13.335 3.097 0.002 278 HE3 LYS 37 HE3 LYS 37 -11.757 2.979 0.777 279 HZ1 LYS 37 HZ1 LYS 37 -10.812 2.340 -1.375 280 HZ2 LYS 37 HZ2 LYS 37 -11.546 3.863 -1.441 281 HZ3 LYS 37 HZ3 LYS 37 -12.332 2.521 -2.102 Start of MODEL 19 1 H1 VAL 1 H1 VAL 1 -4.966 -9.573 -3.335 2 H2 VAL 1 H2 VAL 1 -5.059 -9.024 -4.930 3 H3 VAL 1 H3 VAL 1 -6.448 -9.069 -3.971 4 HA VAL 1 HA VAL 1 -5.600 -6.828 -4.220 5 HB VAL 1 HB VAL 1 -5.345 -6.291 -1.759 6 HG11 VAL 1 HG11 VAL 1 -7.636 -6.602 -1.337 7 HG12 VAL 1 HG12 VAL 1 -7.709 -8.050 -2.336 8 HG13 VAL 1 HG13 VAL 1 -7.504 -6.470 -3.089 9 HG21 VAL 1 HG21 VAL 1 -4.315 -8.384 -1.047 10 HG22 VAL 1 HG22 VAL 1 -5.772 -9.268 -1.499 11 HG23 VAL 1 HG23 VAL 1 -5.822 -8.103 -0.176 12 H GLY 2 H GLY 2 -3.950 -5.336 -2.898 13 HA2 GLY 2 HA2 GLY 2 -1.655 -4.962 -2.393 14 HA3 GLY 2 HA3 GLY 2 -1.270 -6.511 -3.139 15 H ILE 3 H ILE 3 -0.314 -3.658 -3.622 16 HA ILE 3 HA ILE 3 -1.361 -3.292 -6.345 17 HB ILE 3 HB ILE 3 -1.010 -0.977 -6.087 18 HG12 ILE 3 HG12 ILE 3 0.521 -1.623 -3.551 19 HG13 ILE 3 HG13 ILE 3 1.245 -1.127 -5.075 20 HG21 ILE 3 HG21 ILE 3 -2.205 -0.506 -3.917 21 HG22 ILE 3 HG22 ILE 3 -2.028 -2.211 -3.531 22 HG23 ILE 3 HG23 ILE 3 -2.969 -1.718 -4.935 23 HD11 ILE 3 HD11 ILE 3 -0.548 0.493 -3.320 24 HD12 ILE 3 HD12 ILE 3 0.037 1.015 -4.893 25 HD13 ILE 3 HD13 ILE 3 1.175 0.733 -3.575 26 H ASN 4 H ASN 4 0.242 -1.897 -7.655 27 HA ASN 4 HA ASN 4 2.812 -3.313 -7.684 28 HB2 ASN 4 HB2 ASN 4 1.618 -3.510 -9.779 29 HB3 ASN 4 HB3 ASN 4 1.345 -1.773 -9.842 30 HD21 ASN 4 HD21 ASN 4 3.722 -4.310 -10.172 31 HD22 ASN 4 HD22 ASN 4 4.892 -3.366 -11.030 32 H VAL 5 H VAL 5 4.169 -2.226 -6.423 33 HA VAL 5 HA VAL 5 4.905 0.470 -7.027 34 HB VAL 5 HB VAL 5 2.720 0.421 -5.457 35 HG11 VAL 5 HG11 VAL 5 3.329 0.624 -3.122 36 HG12 VAL 5 HG12 VAL 5 4.985 0.172 -3.511 37 HG13 VAL 5 HG13 VAL 5 3.673 -0.979 -3.764 38 HG21 VAL 5 HG21 VAL 5 3.415 2.590 -4.527 39 HG22 VAL 5 HG22 VAL 5 3.778 2.454 -6.246 40 HG23 VAL 5 HG23 VAL 5 5.067 2.278 -5.057 41 H ASP 6 H ASP 6 6.430 1.196 -5.056 42 HA ASP 6 HA ASP 6 7.941 -1.155 -4.127 43 HB2 ASP 6 HB2 ASP 6 9.149 1.431 -5.135 44 HB3 ASP 6 HB3 ASP 6 10.040 0.072 -4.468 45 H CYS 7 H CYS 7 7.798 -1.165 -1.980 46 HA CYS 7 HA CYS 7 7.252 1.329 -0.600 47 HB2 CYS 7 HB2 CYS 7 7.023 -0.127 1.429 48 HB3 CYS 7 HB3 CYS 7 5.879 -0.449 0.149 49 H LYS 8 H LYS 8 8.692 2.490 0.378 50 HA LYS 8 HA LYS 8 11.282 1.400 1.085 51 HB2 LYS 8 HB2 LYS 8 10.140 4.115 1.769 52 HB3 LYS 8 HB3 LYS 8 11.833 3.639 1.778 53 HG2 LYS 8 HG2 LYS 8 10.080 3.830 -0.663 54 HG3 LYS 8 HG3 LYS 8 11.279 5.022 -0.158 55 HD2 LYS 8 HD2 LYS 8 13.047 3.354 -0.408 56 HD3 LYS 8 HD3 LYS 8 11.850 2.151 -0.891 57 HE2 LYS 8 HE2 LYS 8 11.276 3.495 -2.841 58 HE3 LYS 8 HE3 LYS 8 12.441 4.722 -2.351 59 HZ1 LYS 8 HZ1 LYS 8 13.104 1.918 -3.052 60 HZ2 LYS 8 HZ2 LYS 8 14.211 3.122 -2.632 61 HZ3 LYS 8 HZ3 LYS 8 13.321 3.254 -4.063 62 H HIS 9 H HIS 9 8.171 1.687 2.320 63 HA HIS 9 HA HIS 9 8.593 0.193 4.612 64 HB2 HIS 9 HB2 HIS 9 8.119 1.943 6.381 65 HB3 HIS 9 HB3 HIS 9 9.734 1.987 5.697 66 HD1 HIS 9 HD1 HIS 9 10.292 4.002 4.123 67 HD2 HIS 9 HD2 HIS 9 6.599 4.229 6.012 68 HE1 HIS 9 HE1 HIS 9 9.480 6.335 3.737 69 HE2 HIS 9 HE2 HIS 9 7.358 6.518 5.086 70 H SER 10 H SER 10 6.558 0.010 5.927 71 HA SER 10 HA SER 10 4.376 -0.222 4.188 72 HB2 SER 10 HB2 SER 10 3.052 -0.637 6.293 73 HB3 SER 10 HB3 SER 10 4.505 -1.624 6.127 74 HG SER 10 HG SER 10 3.910 0.390 7.943 75 H GLY 11 H GLY 11 5.264 2.353 6.398 76 HA2 GLY 11 HA2 GLY 11 2.845 3.727 6.537 77 HA3 GLY 11 HA3 GLY 11 4.427 4.456 6.733 78 H GLN 12 H GLN 12 5.255 3.769 3.954 79 HA GLN 12 HA GLN 12 3.908 6.063 2.760 80 HB2 GLN 12 HB2 GLN 12 5.717 6.014 1.064 81 HB3 GLN 12 HB3 GLN 12 6.290 6.218 2.707 82 HG2 GLN 12 HG2 GLN 12 7.809 4.739 1.847 83 HG3 GLN 12 HG3 GLN 12 6.660 3.660 2.632 84 HE21 GLN 12 HE21 GLN 12 7.836 4.874 -0.416 85 HE22 GLN 12 HE22 GLN 12 7.140 3.629 -1.398 86 H CYS 13 H CYS 13 3.134 2.994 2.874 87 HA CYS 13 HA CYS 13 2.600 2.503 0.079 88 HB2 CYS 13 HB2 CYS 13 1.786 1.072 2.610 89 HB3 CYS 13 HB3 CYS 13 1.238 0.577 1.017 90 H LEU 14 H LEU 14 1.215 4.322 2.526 91 HA LEU 14 HA LEU 14 -1.512 3.757 2.299 92 HB2 LEU 14 HB2 LEU 14 -0.125 6.292 3.137 93 HB3 LEU 14 HB3 LEU 14 -1.819 5.947 3.402 94 HG LEU 14 HG LEU 14 0.545 4.531 4.623 95 HD11 LEU 14 HD11 LEU 14 0.037 6.639 5.660 96 HD12 LEU 14 HD12 LEU 14 -0.445 5.321 6.729 97 HD13 LEU 14 HD13 LEU 14 -1.664 6.199 5.803 98 HD21 LEU 14 HD21 LEU 14 -1.068 2.839 4.157 99 HD22 LEU 14 HD22 LEU 14 -2.384 3.847 4.757 100 HD23 LEU 14 HD23 LEU 14 -1.172 3.224 5.876 101 H LYS 15 H LYS 15 0.309 6.488 0.912 102 HA LYS 15 HA LYS 15 -1.823 7.651 -0.392 103 HB2 LYS 15 HB2 LYS 15 0.045 9.002 -0.117 104 HB3 LYS 15 HB3 LYS 15 1.141 7.786 -0.757 105 HG2 LYS 15 HG2 LYS 15 0.395 8.168 -2.963 106 HG3 LYS 15 HG3 LYS 15 -0.903 9.228 -2.421 107 HD2 LYS 15 HD2 LYS 15 0.883 10.594 -3.272 108 HD3 LYS 15 HD3 LYS 15 0.830 10.778 -1.519 109 HE2 LYS 15 HE2 LYS 15 3.116 10.574 -2.148 110 HE3 LYS 15 HE3 LYS 15 2.647 9.065 -1.372 111 HZ1 LYS 15 HZ1 LYS 15 3.924 8.575 -3.311 112 HZ2 LYS 15 HZ2 LYS 15 2.949 9.556 -4.281 113 HZ3 LYS 15 HZ3 LYS 15 2.322 8.129 -3.629 114 HA PRO 16 HA PRO 16 -0.660 5.370 -4.459 115 HB2 PRO 16 HB2 PRO 16 0.805 3.076 -4.272 116 HB3 PRO 16 HB3 PRO 16 1.511 4.661 -4.598 117 HG2 PRO 16 HG2 PRO 16 1.364 3.139 -2.034 118 HG3 PRO 16 HG3 PRO 16 2.696 4.110 -2.690 119 HD2 PRO 16 HD2 PRO 16 1.033 5.032 -0.757 120 HD3 PRO 16 HD3 PRO 16 1.781 6.095 -1.965 121 H CYS 17 H CYS 17 -1.154 3.551 -1.513 122 HA CYS 17 HA CYS 17 -2.623 1.421 -2.730 123 HB2 CYS 17 HB2 CYS 17 -1.472 1.208 -0.543 124 HB3 CYS 17 HB3 CYS 17 -2.615 2.352 0.149 125 H LYS 18 H LYS 18 -3.395 4.536 -1.335 126 HA LYS 18 HA LYS 18 -6.217 4.134 -1.275 127 HB2 LYS 18 HB2 LYS 18 -5.168 5.747 0.183 128 HB3 LYS 18 HB3 LYS 18 -4.498 6.612 -1.192 129 HG2 LYS 18 HG2 LYS 18 -6.721 7.269 -1.894 130 HG3 LYS 18 HG3 LYS 18 -7.427 6.343 -0.566 131 HD2 LYS 18 HD2 LYS 18 -5.430 8.540 -0.145 132 HD3 LYS 18 HD3 LYS 18 -7.172 8.839 -0.183 133 HE2 LYS 18 HE2 LYS 18 -5.716 6.995 1.714 134 HE3 LYS 18 HE3 LYS 18 -6.351 8.589 2.111 135 HZ1 LYS 18 HZ1 LYS 18 -7.861 6.887 2.847 136 HZ2 LYS 18 HZ2 LYS 18 -7.945 6.219 1.298 137 HZ3 LYS 18 HZ3 LYS 18 -8.580 7.757 1.591 138 H LYS 19 H LYS 19 -3.921 5.601 -3.506 139 HA LYS 19 HA LYS 19 -5.843 6.440 -5.415 140 HB2 LYS 19 HB2 LYS 19 -3.542 7.334 -5.309 141 HB3 LYS 19 HB3 LYS 19 -2.918 5.767 -5.801 142 HG2 LYS 19 HG2 LYS 19 -4.000 5.966 -7.949 143 HG3 LYS 19 HG3 LYS 19 -4.759 7.480 -7.458 144 HD2 LYS 19 HD2 LYS 19 -1.782 7.035 -7.631 145 HD3 LYS 19 HD3 LYS 19 -2.754 7.781 -8.897 146 HE2 LYS 19 HE2 LYS 19 -2.427 8.807 -6.077 147 HE3 LYS 19 HE3 LYS 19 -1.637 9.459 -7.510 148 HZ1 LYS 19 HZ1 LYS 19 -4.574 9.388 -7.064 149 HZ2 LYS 19 HZ2 LYS 19 -3.786 10.066 -8.398 150 HZ3 LYS 19 HZ3 LYS 19 -3.589 10.746 -6.863 151 H ALA 20 H ALA 20 -4.196 3.443 -4.764 152 HA ALA 20 HA ALA 20 -4.895 2.093 -7.156 153 HB1 ALA 20 HB1 ALA 20 -3.142 1.320 -5.553 154 HB2 ALA 20 HB2 ALA 20 -4.307 0.071 -5.994 155 HB3 ALA 20 HB3 ALA 20 -4.431 0.878 -4.432 156 H GLY 21 H GLY 21 -6.404 2.354 -3.964 157 HA2 GLY 21 HA2 GLY 21 -8.877 2.734 -4.148 158 HA3 GLY 21 HA3 GLY 21 -8.889 1.302 -5.164 159 H MET 22 H MET 22 -6.698 1.187 -2.540 160 HA MET 22 HA MET 22 -8.606 -0.527 -1.098 161 HB2 MET 22 HB2 MET 22 -5.613 -0.877 -1.315 162 HB3 MET 22 HB3 MET 22 -6.701 -1.905 -0.386 163 HG2 MET 22 HG2 MET 22 -7.862 -2.543 -2.423 164 HG3 MET 22 HG3 MET 22 -6.801 -1.500 -3.367 165 HE1 MET 22 HE1 MET 22 -5.447 -4.853 -4.615 166 HE2 MET 22 HE2 MET 22 -5.999 -3.230 -5.025 167 HE3 MET 22 HE3 MET 22 -7.130 -4.399 -4.345 168 H ARG 23 H ARG 23 -7.379 -0.930 1.298 169 HA ARG 23 HA ARG 23 -7.791 1.777 2.323 170 HB2 ARG 23 HB2 ARG 23 -7.910 -0.895 3.724 171 HB3 ARG 23 HB3 ARG 23 -8.186 0.649 4.516 172 HG2 ARG 23 HG2 ARG 23 -9.985 1.002 2.706 173 HG3 ARG 23 HG3 ARG 23 -9.840 -0.738 2.462 174 HD2 ARG 23 HD2 ARG 23 -10.313 0.430 5.177 175 HD3 ARG 23 HD3 ARG 23 -11.643 0.100 4.068 176 HE ARG 23 HE ARG 23 -10.256 -2.239 4.145 177 HH11 ARG 23 HH11 ARG 23 -11.709 -0.165 6.560 178 HH12 ARG 23 HH12 ARG 23 -12.035 -1.463 7.665 179 HH21 ARG 23 HH21 ARG 23 -10.670 -3.942 5.588 180 HH22 ARG 23 HH22 ARG 23 -11.442 -3.624 7.107 181 H PHE 24 H PHE 24 -5.878 -0.868 3.708 182 HA PHE 24 HA PHE 24 -3.819 1.131 4.358 183 HB2 PHE 24 HB2 PHE 24 -3.579 -1.416 5.741 184 HB3 PHE 24 HB3 PHE 24 -3.674 0.210 6.416 185 HD1 PHE 24 HD1 PHE 24 -5.607 -2.597 5.140 186 HD2 PHE 24 HD2 PHE 24 -5.706 0.984 7.396 187 HE1 PHE 24 HE1 PHE 24 -7.889 -3.139 5.849 188 HE2 PHE 24 HE2 PHE 24 -7.997 0.459 8.139 189 HZ PHE 24 HZ PHE 24 -9.092 -1.609 7.369 190 H GLY 25 H GLY 25 -1.584 0.323 4.377 191 HA2 GLY 25 HA2 GLY 25 -1.162 -1.755 2.335 192 HA3 GLY 25 HA3 GLY 25 -0.391 -0.184 2.178 193 H LYS 26 H LYS 26 0.512 -3.067 2.646 194 HA LYS 26 HA LYS 26 2.297 -2.509 4.925 195 HB2 LYS 26 HB2 LYS 26 0.638 -4.398 5.218 196 HB3 LYS 26 HB3 LYS 26 1.445 -5.214 3.891 197 HG2 LYS 26 HG2 LYS 26 3.414 -5.526 5.131 198 HG3 LYS 26 HG3 LYS 26 2.904 -4.380 6.371 199 HD2 LYS 26 HD2 LYS 26 2.668 -6.669 7.167 200 HD3 LYS 26 HD3 LYS 26 1.092 -5.895 7.024 201 HE2 LYS 26 HE2 LYS 26 0.792 -8.045 6.144 202 HE3 LYS 26 HE3 LYS 26 0.934 -6.997 4.737 203 HZ1 LYS 26 HZ1 LYS 26 3.029 -8.769 5.860 204 HZ2 LYS 26 HZ2 LYS 26 3.311 -7.652 4.626 205 HZ3 LYS 26 HZ3 LYS 26 2.240 -8.938 4.373 206 H CYS 27 H CYS 27 4.488 -3.349 4.680 207 HA CYS 27 HA CYS 27 5.314 -3.126 1.881 208 HB2 CYS 27 HB2 CYS 27 6.332 -1.566 3.528 209 HB3 CYS 27 HB3 CYS 27 7.024 -2.950 4.369 210 H ILE 28 H ILE 28 5.433 -4.991 0.892 211 HA ILE 28 HA ILE 28 6.326 -7.366 2.324 212 HB ILE 28 HB ILE 28 4.769 -6.850 -0.212 213 HG12 ILE 28 HG12 ILE 28 3.234 -8.506 0.901 214 HG13 ILE 28 HG13 ILE 28 4.313 -8.443 2.287 215 HG21 ILE 28 HG21 ILE 28 4.700 -9.215 -0.750 216 HG22 ILE 28 HG22 ILE 28 5.880 -9.549 0.514 217 HG23 ILE 28 HG23 ILE 28 6.341 -8.587 -0.892 218 HD11 ILE 28 HD11 ILE 28 3.003 -6.027 1.140 219 HD12 ILE 28 HD12 ILE 28 3.816 -6.187 2.695 220 HD13 ILE 28 HD13 ILE 28 2.277 -7.003 2.415 221 H ASN 29 H ASN 29 7.587 -8.738 0.195 222 HA ASN 29 HA ASN 29 10.177 -8.074 0.499 223 HB2 ASN 29 HB2 ASN 29 10.732 -9.280 -1.565 224 HB3 ASN 29 HB3 ASN 29 9.515 -10.131 -0.632 225 HD21 ASN 29 HD21 ASN 29 7.473 -10.376 -1.460 226 HD22 ASN 29 HD22 ASN 29 7.071 -9.986 -3.097 227 H GLY 30 H GLY 30 8.160 -6.768 -2.119 228 HA2 GLY 30 HA2 GLY 30 9.780 -4.354 -1.950 229 HA3 GLY 30 HA3 GLY 30 9.733 -5.153 -3.514 230 H LYS 31 H LYS 31 6.816 -5.611 -1.881 231 HA LYS 31 HA LYS 31 5.658 -3.509 -3.575 232 HB2 LYS 31 HB2 LYS 31 3.942 -5.040 -4.311 233 HB3 LYS 31 HB3 LYS 31 5.527 -5.712 -4.647 234 HG2 LYS 31 HG2 LYS 31 4.507 -7.569 -3.842 235 HG3 LYS 31 HG3 LYS 31 5.134 -6.912 -2.331 236 HD2 LYS 31 HD2 LYS 31 2.870 -7.549 -1.948 237 HD3 LYS 31 HD3 LYS 31 2.917 -5.787 -2.004 238 HE2 LYS 31 HE2 LYS 31 1.008 -6.529 -3.248 239 HE3 LYS 31 HE3 LYS 31 2.199 -5.905 -4.385 240 HZ1 LYS 31 HZ1 LYS 31 1.756 -8.776 -3.770 241 HZ2 LYS 31 HZ2 LYS 31 2.862 -8.162 -4.894 242 HZ3 LYS 31 HZ3 LYS 31 1.205 -7.974 -5.150 243 H CYS 32 H CYS 32 3.670 -2.648 -2.952 244 HA CYS 32 HA CYS 32 3.132 -2.822 -0.099 245 HB2 CYS 32 HB2 CYS 32 2.235 -0.928 -2.276 246 HB3 CYS 32 HB3 CYS 32 1.512 -0.902 -0.665 247 H ASP 33 H ASP 33 2.118 -4.793 0.107 248 HA ASP 33 HA ASP 33 -0.269 -5.384 -1.372 249 HB2 ASP 33 HB2 ASP 33 1.060 -7.261 -0.710 250 HB3 ASP 33 HB3 ASP 33 1.048 -6.748 0.972 251 H CYS 34 H CYS 34 -2.367 -5.201 -0.650 252 HA CYS 34 HA CYS 34 -2.671 -3.449 1.697 253 HB2 CYS 34 HB2 CYS 34 -3.884 -3.202 -1.048 254 HB3 CYS 34 HB3 CYS 34 -4.509 -2.339 0.349 255 H THR 35 H THR 35 -4.709 -3.468 2.737 256 HA THR 35 HA THR 35 -6.385 -5.800 2.141 257 HB THR 35 HB THR 35 -6.374 -4.005 4.580 258 HG1 THR 35 HG1 THR 35 -4.907 -6.202 3.905 259 HG21 THR 35 HG21 THR 35 -8.579 -5.062 3.956 260 HG22 THR 35 HG22 THR 35 -7.957 -5.496 5.552 261 HG23 THR 35 HG23 THR 35 -7.805 -6.630 4.211 262 HA PRO 36 HA PRO 36 -9.026 -2.780 0.286 263 HB2 PRO 36 HB2 PRO 36 -10.893 -4.405 -0.673 264 HB3 PRO 36 HB3 PRO 36 -9.233 -4.495 -1.270 265 HG2 PRO 36 HG2 PRO 36 -10.619 -6.236 0.734 266 HG3 PRO 36 HG3 PRO 36 -9.568 -6.702 -0.613 267 HD2 PRO 36 HD2 PRO 36 -8.733 -6.454 2.008 268 HD3 PRO 36 HD3 PRO 36 -7.662 -6.331 0.602 269 H LYS 37 H LYS 37 -11.715 -2.918 0.125 270 HA LYS 37 HA LYS 37 -12.545 -2.012 2.701 271 HB2 LYS 37 HB2 LYS 37 -14.304 -2.603 0.324 272 HB3 LYS 37 HB3 LYS 37 -14.688 -1.571 1.689 273 HG2 LYS 37 HG2 LYS 37 -12.650 -1.055 -0.456 274 HG3 LYS 37 HG3 LYS 37 -14.176 -0.213 -0.208 275 HD2 LYS 37 HD2 LYS 37 -13.308 0.502 2.031 276 HD3 LYS 37 HD3 LYS 37 -11.745 -0.173 1.562 277 HE2 LYS 37 HE2 LYS 37 -13.238 2.066 0.202 278 HE3 LYS 37 HE3 LYS 37 -11.750 2.202 1.135 279 HZ1 LYS 37 HZ1 LYS 37 -12.088 0.788 -1.453 280 HZ2 LYS 37 HZ2 LYS 37 -10.668 0.788 -0.540 281 HZ3 LYS 37 HZ3 LYS 37 -11.245 2.232 -1.194 Start of MODEL 20 1 H1 VAL 1 H1 VAL 1 -5.098 -9.277 -4.607 2 H2 VAL 1 H2 VAL 1 -6.521 -8.756 -3.863 3 H3 VAL 1 H3 VAL 1 -5.188 -9.209 -2.921 4 HA VAL 1 HA VAL 1 -5.263 -6.922 -4.790 5 HB VAL 1 HB VAL 1 -5.072 -5.547 -2.677 6 HG11 VAL 1 HG11 VAL 1 -7.432 -5.445 -2.315 7 HG12 VAL 1 HG12 VAL 1 -7.645 -7.096 -2.902 8 HG13 VAL 1 HG13 VAL 1 -7.163 -5.819 -4.020 9 HG21 VAL 1 HG21 VAL 1 -4.415 -7.335 -1.155 10 HG22 VAL 1 HG22 VAL 1 -5.976 -8.120 -1.390 11 HG23 VAL 1 HG23 VAL 1 -5.891 -6.548 -0.599 12 H GLY 2 H GLY 2 -3.480 -5.334 -3.737 13 HA2 GLY 2 HA2 GLY 2 -1.204 -5.328 -2.854 14 HA3 GLY 2 HA3 GLY 2 -1.022 -6.947 -3.516 15 H ILE 3 H ILE 3 -0.490 -3.691 -4.047 16 HA ILE 3 HA ILE 3 -0.871 -3.791 -6.935 17 HB ILE 3 HB ILE 3 -0.529 -1.433 -6.935 18 HG12 ILE 3 HG12 ILE 3 0.392 -1.743 -4.073 19 HG13 ILE 3 HG13 ILE 3 1.427 -1.392 -5.448 20 HG21 ILE 3 HG21 ILE 3 -2.204 -0.670 -5.295 21 HG22 ILE 3 HG22 ILE 3 -2.094 -2.230 -4.480 22 HG23 ILE 3 HG23 ILE 3 -2.708 -2.138 -6.131 23 HD11 ILE 3 HD11 ILE 3 -0.658 0.364 -4.225 24 HD12 ILE 3 HD12 ILE 3 0.116 0.717 -5.762 25 HD13 ILE 3 HD13 ILE 3 1.078 0.632 -4.286 26 H ASN 4 H ASN 4 0.874 -2.413 -8.111 27 HA ASN 4 HA ASN 4 3.480 -3.655 -7.560 28 HB2 ASN 4 HB2 ASN 4 2.610 -4.182 -9.780 29 HB3 ASN 4 HB3 ASN 4 2.366 -2.473 -10.119 30 HD21 ASN 4 HD21 ASN 4 4.701 -5.019 -9.753 31 HD22 ASN 4 HD22 ASN 4 6.028 -4.181 -10.477 32 H VAL 5 H VAL 5 4.697 -2.340 -6.395 33 HA VAL 5 HA VAL 5 5.105 0.404 -7.160 34 HB VAL 5 HB VAL 5 2.921 0.210 -5.718 35 HG11 VAL 5 HG11 VAL 5 3.331 0.350 -3.315 36 HG12 VAL 5 HG12 VAL 5 5.033 -0.003 -3.590 37 HG13 VAL 5 HG13 VAL 5 3.806 -1.206 -3.991 38 HG21 VAL 5 HG21 VAL 5 3.276 2.390 -4.790 39 HG22 VAL 5 HG22 VAL 5 4.082 2.317 -6.357 40 HG23 VAL 5 HG23 VAL 5 5.025 2.198 -4.874 41 H ASP 6 H ASP 6 6.404 1.404 -5.078 42 HA ASP 6 HA ASP 6 8.227 -0.660 -4.080 43 HB2 ASP 6 HB2 ASP 6 9.056 1.962 -5.309 44 HB3 ASP 6 HB3 ASP 6 10.126 0.919 -4.387 45 H CYS 7 H CYS 7 7.830 -0.629 -2.016 46 HA CYS 7 HA CYS 7 7.331 1.884 -0.627 47 HB2 CYS 7 HB2 CYS 7 6.990 0.273 1.360 48 HB3 CYS 7 HB3 CYS 7 5.772 0.326 0.104 49 H LYS 8 H LYS 8 8.944 2.937 0.314 50 HA LYS 8 HA LYS 8 11.393 1.673 1.064 51 HB2 LYS 8 HB2 LYS 8 11.175 4.126 0.565 52 HB3 LYS 8 HB3 LYS 8 10.242 4.300 2.042 53 HG2 LYS 8 HG2 LYS 8 12.504 4.977 2.445 54 HG3 LYS 8 HG3 LYS 8 12.160 3.484 3.325 55 HD2 LYS 8 HD2 LYS 8 13.262 2.194 1.551 56 HD3 LYS 8 HD3 LYS 8 13.623 3.692 0.692 57 HE2 LYS 8 HE2 LYS 8 14.966 4.445 2.599 58 HE3 LYS 8 HE3 LYS 8 14.615 2.935 3.437 59 HZ1 LYS 8 HZ1 LYS 8 16.777 2.881 2.359 60 HZ2 LYS 8 HZ2 LYS 8 16.063 3.175 0.856 61 HZ3 LYS 8 HZ3 LYS 8 15.742 1.730 1.675 62 H HIS 9 H HIS 9 8.283 2.004 2.362 63 HA HIS 9 HA HIS 9 8.717 0.356 4.598 64 HB2 HIS 9 HB2 HIS 9 8.115 2.133 6.348 65 HB3 HIS 9 HB3 HIS 9 9.766 2.138 5.746 66 HD1 HIS 9 HD1 HIS 9 10.530 4.161 4.396 67 HD2 HIS 9 HD2 HIS 9 6.560 4.376 5.597 68 HE1 HIS 9 HE1 HIS 9 9.775 6.475 3.795 69 HE2 HIS 9 HE2 HIS 9 7.432 6.647 4.714 70 H SER 10 H SER 10 6.680 0.226 5.973 71 HA SER 10 HA SER 10 4.486 -0.086 4.203 72 HB2 SER 10 HB2 SER 10 3.247 -0.571 6.409 73 HB3 SER 10 HB3 SER 10 4.590 -1.623 5.968 74 HG SER 10 HG SER 10 4.294 -0.167 8.172 75 H GLY 11 H GLY 11 5.349 2.408 6.505 76 HA2 GLY 11 HA2 GLY 11 2.906 3.676 6.847 77 HA3 GLY 11 HA3 GLY 11 4.463 4.482 6.915 78 H GLN 12 H GLN 12 5.120 3.903 4.117 79 HA GLN 12 HA GLN 12 3.607 6.131 2.997 80 HB2 GLN 12 HB2 GLN 12 5.359 6.463 1.513 81 HB3 GLN 12 HB3 GLN 12 6.198 5.831 2.922 82 HG2 GLN 12 HG2 GLN 12 6.235 3.609 1.901 83 HG3 GLN 12 HG3 GLN 12 5.402 4.249 0.486 84 HE21 GLN 12 HE21 GLN 12 7.004 3.831 -0.969 85 HE22 GLN 12 HE22 GLN 12 8.532 4.646 -0.957 86 H CYS 13 H CYS 13 3.159 2.927 3.133 87 HA CYS 13 HA CYS 13 2.771 2.309 0.338 88 HB2 CYS 13 HB2 CYS 13 3.608 0.609 1.889 89 HB3 CYS 13 HB3 CYS 13 2.146 0.745 2.852 90 H LEU 14 H LEU 14 0.980 3.679 2.847 91 HA LEU 14 HA LEU 14 -1.632 2.852 2.200 92 HB2 LEU 14 HB2 LEU 14 -0.485 5.209 3.652 93 HB3 LEU 14 HB3 LEU 14 -2.192 5.125 3.321 94 HG LEU 14 HG LEU 14 -2.392 3.091 4.647 95 HD11 LEU 14 HD11 LEU 14 -0.090 2.277 4.146 96 HD12 LEU 14 HD12 LEU 14 -0.568 2.139 5.837 97 HD13 LEU 14 HD13 LEU 14 0.519 3.433 5.328 98 HD21 LEU 14 HD21 LEU 14 -0.920 5.316 6.040 99 HD22 LEU 14 HD22 LEU 14 -1.876 4.069 6.840 100 HD23 LEU 14 HD23 LEU 14 -2.660 5.226 5.763 101 H LYS 15 H LYS 15 0.255 5.698 1.256 102 HA LYS 15 HA LYS 15 -1.684 7.127 -0.056 103 HB2 LYS 15 HB2 LYS 15 0.749 7.723 0.561 104 HB3 LYS 15 HB3 LYS 15 1.154 7.077 -1.020 105 HG2 LYS 15 HG2 LYS 15 -0.357 8.686 -2.060 106 HG3 LYS 15 HG3 LYS 15 -0.746 9.322 -0.461 107 HD2 LYS 15 HD2 LYS 15 1.611 9.922 -0.140 108 HD3 LYS 15 HD3 LYS 15 1.978 9.313 -1.754 109 HE2 LYS 15 HE2 LYS 15 0.481 10.979 -2.726 110 HE3 LYS 15 HE3 LYS 15 0.094 11.580 -1.114 111 HZ1 LYS 15 HZ1 LYS 15 1.751 12.963 -2.157 112 HZ2 LYS 15 HZ2 LYS 15 2.766 11.634 -2.404 113 HZ3 LYS 15 HZ3 LYS 15 2.435 12.165 -0.833 114 HA PRO 16 HA PRO 16 -0.472 5.283 -4.323 115 HB2 PRO 16 HB2 PRO 16 0.878 2.934 -4.435 116 HB3 PRO 16 HB3 PRO 16 1.692 4.504 -4.381 117 HG2 PRO 16 HG2 PRO 16 1.148 2.575 -2.153 118 HG3 PRO 16 HG3 PRO 16 2.643 3.459 -2.524 119 HD2 PRO 16 HD2 PRO 16 0.940 4.294 -0.611 120 HD3 PRO 16 HD3 PRO 16 1.850 5.434 -1.617 121 H CYS 17 H CYS 17 -1.180 3.019 -1.727 122 HA CYS 17 HA CYS 17 -2.750 1.293 -3.364 123 HB2 CYS 17 HB2 CYS 17 -1.989 1.514 -0.505 124 HB3 CYS 17 HB3 CYS 17 -3.434 0.613 -0.893 125 H LYS 18 H LYS 18 -3.247 4.107 -1.391 126 HA LYS 18 HA LYS 18 -6.055 3.874 -1.097 127 HB2 LYS 18 HB2 LYS 18 -4.626 5.291 0.330 128 HB3 LYS 18 HB3 LYS 18 -4.256 6.310 -1.048 129 HG2 LYS 18 HG2 LYS 18 -7.085 5.945 -0.152 130 HG3 LYS 18 HG3 LYS 18 -6.017 7.079 0.676 131 HD2 LYS 18 HD2 LYS 18 -5.543 8.085 -1.587 132 HD3 LYS 18 HD3 LYS 18 -6.866 7.100 -2.211 133 HE2 LYS 18 HE2 LYS 18 -8.403 8.153 -0.629 134 HE3 LYS 18 HE3 LYS 18 -7.083 9.135 0.003 135 HZ1 LYS 18 HZ1 LYS 18 -6.843 10.117 -2.216 136 HZ2 LYS 18 HZ2 LYS 18 -8.369 10.405 -1.550 137 HZ3 LYS 18 HZ3 LYS 18 -8.181 9.230 -2.750 138 H LYS 19 H LYS 19 -3.924 5.375 -3.469 139 HA LYS 19 HA LYS 19 -5.967 6.452 -5.118 140 HB2 LYS 19 HB2 LYS 19 -3.562 7.112 -5.240 141 HB3 LYS 19 HB3 LYS 19 -3.199 5.536 -5.929 142 HG2 LYS 19 HG2 LYS 19 -4.890 6.152 -7.751 143 HG3 LYS 19 HG3 LYS 19 -4.742 7.801 -7.143 144 HD2 LYS 19 HD2 LYS 19 -2.488 6.070 -8.154 145 HD3 LYS 19 HD3 LYS 19 -3.233 7.411 -9.025 146 HE2 LYS 19 HE2 LYS 19 -1.862 7.692 -6.358 147 HE3 LYS 19 HE3 LYS 19 -1.058 7.944 -7.903 148 HZ1 LYS 19 HZ1 LYS 19 -1.809 10.021 -6.934 149 HZ2 LYS 19 HZ2 LYS 19 -3.405 9.466 -6.918 150 HZ3 LYS 19 HZ3 LYS 19 -2.614 9.717 -8.390 151 H ALA 20 H ALA 20 -4.390 3.339 -4.876 152 HA ALA 20 HA ALA 20 -5.482 2.260 -7.284 153 HB1 ALA 20 HB1 ALA 20 -4.094 1.000 -4.922 154 HB2 ALA 20 HB2 ALA 20 -3.444 1.325 -6.530 155 HB3 ALA 20 HB3 ALA 20 -4.669 0.077 -6.312 156 H GLY 21 H GLY 21 -6.764 2.819 -4.183 157 HA2 GLY 21 HA2 GLY 21 -9.177 2.715 -4.022 158 HA3 GLY 21 HA3 GLY 21 -9.122 1.231 -4.956 159 H MET 22 H MET 22 -6.687 1.418 -2.589 160 HA MET 22 HA MET 22 -8.267 -0.381 -0.902 161 HB2 MET 22 HB2 MET 22 -5.284 -0.082 -1.190 162 HB3 MET 22 HB3 MET 22 -6.038 -1.070 0.051 163 HG2 MET 22 HG2 MET 22 -5.461 -2.553 -1.666 164 HG3 MET 22 HG3 MET 22 -7.203 -2.300 -1.821 165 HE1 MET 22 HE1 MET 22 -6.092 -2.746 -5.544 166 HE2 MET 22 HE2 MET 22 -7.206 -3.275 -4.283 167 HE3 MET 22 HE3 MET 22 -5.480 -3.598 -4.126 168 H ARG 23 H ARG 23 -7.174 -0.325 1.499 169 HA ARG 23 HA ARG 23 -7.749 2.450 2.307 170 HB2 ARG 23 HB2 ARG 23 -8.118 -0.170 3.757 171 HB3 ARG 23 HB3 ARG 23 -8.330 1.390 4.533 172 HG2 ARG 23 HG2 ARG 23 -10.006 1.903 2.712 173 HG3 ARG 23 HG3 ARG 23 -9.908 0.197 2.301 174 HD2 ARG 23 HD2 ARG 23 -10.527 1.108 5.085 175 HD3 ARG 23 HD3 ARG 23 -11.788 0.913 3.867 176 HE ARG 23 HE ARG 23 -10.568 -1.450 3.722 177 HH11 ARG 23 HH11 ARG 23 -11.650 0.389 6.500 178 HH12 ARG 23 HH12 ARG 23 -11.929 -1.018 7.471 179 HH21 ARG 23 HH21 ARG 23 -10.926 -3.273 4.977 180 HH22 ARG 23 HH22 ARG 23 -11.524 -3.118 6.599 181 H PHE 24 H PHE 24 -5.799 -0.316 3.355 182 HA PHE 24 HA PHE 24 -4.006 1.556 4.751 183 HB2 PHE 24 HB2 PHE 24 -3.866 -1.399 5.163 184 HB3 PHE 24 HB3 PHE 24 -3.623 -0.092 6.322 185 HD1 PHE 24 HD2 PHE 24 -5.570 0.996 7.382 186 HD2 PHE 24 HD1 PHE 24 -5.980 -2.283 4.730 187 HE1 PHE 24 HE2 PHE 24 -7.891 0.673 8.138 188 HE2 PHE 24 HE1 PHE 24 -8.296 -2.621 5.475 189 HZ PHE 24 HZ PHE 24 -9.253 -1.139 7.194 190 H GLY 25 H GLY 25 -1.822 -0.282 4.971 191 HA2 GLY 25 HA2 GLY 25 -1.095 -1.281 2.410 192 HA3 GLY 25 HA3 GLY 25 -0.344 0.280 2.707 193 H LYS 26 H LYS 26 0.458 -2.736 2.611 194 HA LYS 26 HA LYS 26 2.331 -2.509 4.866 195 HB2 LYS 26 HB2 LYS 26 0.526 -4.324 5.120 196 HB3 LYS 26 HB3 LYS 26 1.330 -5.134 3.784 197 HG2 LYS 26 HG2 LYS 26 2.179 -6.141 5.716 198 HG3 LYS 26 HG3 LYS 26 3.444 -5.043 5.166 199 HD2 LYS 26 HD2 LYS 26 3.417 -4.530 7.398 200 HD3 LYS 26 HD3 LYS 26 2.228 -3.369 6.807 201 HE2 LYS 26 HE2 LYS 26 1.611 -6.065 8.015 202 HE3 LYS 26 HE3 LYS 26 1.468 -4.517 8.840 203 HZ1 LYS 26 HZ1 LYS 26 -0.218 -3.863 7.232 204 HZ2 LYS 26 HZ2 LYS 26 -0.667 -5.275 8.041 205 HZ3 LYS 26 HZ3 LYS 26 -0.087 -5.360 6.457 206 H CYS 27 H CYS 27 4.426 -3.301 4.424 207 HA CYS 27 HA CYS 27 5.046 -3.096 1.573 208 HB2 CYS 27 HB2 CYS 27 6.129 -1.533 3.204 209 HB3 CYS 27 HB3 CYS 27 6.937 -2.921 3.925 210 H ILE 28 H ILE 28 5.225 -4.975 0.531 211 HA ILE 28 HA ILE 28 6.401 -7.244 1.965 212 HB ILE 28 HB ILE 28 4.496 -7.034 -0.367 213 HG12 ILE 28 HG12 ILE 28 4.410 -8.208 2.388 214 HG13 ILE 28 HG13 ILE 28 3.368 -6.984 1.682 215 HG21 ILE 28 HG21 ILE 28 4.580 -9.400 -0.724 216 HG22 ILE 28 HG22 ILE 28 5.785 -9.595 0.547 217 HG23 ILE 28 HG23 ILE 28 6.204 -8.741 -0.938 218 HD11 ILE 28 HD11 ILE 28 2.458 -8.719 0.166 219 HD12 ILE 28 HD12 ILE 28 2.137 -9.014 1.875 220 HD13 ILE 28 HD13 ILE 28 3.403 -9.919 1.045 221 H ASN 29 H ASN 29 7.724 -8.672 0.255 222 HA ASN 29 HA ASN 29 10.079 -7.359 -0.072 223 HB2 ASN 29 HB2 ASN 29 10.858 -9.177 -1.476 224 HB3 ASN 29 HB3 ASN 29 9.860 -9.808 -0.173 225 HD21 ASN 29 HD21 ASN 29 7.857 -10.682 -0.645 226 HD22 ASN 29 HD22 ASN 29 7.381 -11.091 -2.255 227 H GLY 30 H GLY 30 7.514 -7.527 -2.516 228 HA2 GLY 30 HA2 GLY 30 8.882 -5.241 -3.756 229 HA3 GLY 30 HA3 GLY 30 8.427 -6.597 -4.771 230 H LYS 31 H LYS 31 6.031 -6.278 -2.414 231 HA LYS 31 HA LYS 31 4.475 -4.699 -4.352 232 HB2 LYS 31 HB2 LYS 31 2.628 -6.221 -4.184 233 HB3 LYS 31 HB3 LYS 31 4.074 -7.134 -4.595 234 HG2 LYS 31 HG2 LYS 31 4.296 -7.732 -2.193 235 HG3 LYS 31 HG3 LYS 31 2.728 -6.974 -1.917 236 HD2 LYS 31 HD2 LYS 31 3.202 -9.219 -3.870 237 HD3 LYS 31 HD3 LYS 31 2.658 -9.447 -2.211 238 HE2 LYS 31 HE2 LYS 31 0.670 -8.096 -2.680 239 HE3 LYS 31 HE3 LYS 31 1.216 -7.870 -4.340 240 HZ1 LYS 31 HZ1 LYS 31 1.079 -10.281 -4.649 241 HZ2 LYS 31 HZ2 LYS 31 -0.420 -9.619 -4.231 242 HZ3 LYS 31 HZ3 LYS 31 0.487 -10.455 -3.074 243 H CYS 32 H CYS 32 2.731 -3.511 -3.541 244 HA CYS 32 HA CYS 32 2.747 -3.090 -0.657 245 HB2 CYS 32 HB2 CYS 32 1.962 -1.467 -2.957 246 HB3 CYS 32 HB3 CYS 32 0.715 -1.509 -1.715 247 H ASP 33 H ASP 33 1.855 -4.973 0.087 248 HA ASP 33 HA ASP 33 -0.719 -5.859 -0.845 249 HB2 ASP 33 HB2 ASP 33 0.727 -7.558 -0.010 250 HB3 ASP 33 HB3 ASP 33 1.012 -6.684 1.490 251 H CYS 34 H CYS 34 -2.352 -4.556 -0.507 252 HA CYS 34 HA CYS 34 -2.658 -3.307 2.139 253 HB2 CYS 34 HB2 CYS 34 -3.509 -2.102 -0.496 254 HB3 CYS 34 HB3 CYS 34 -3.461 -1.315 1.080 255 H THR 35 H THR 35 -4.758 -3.236 2.972 256 HA THR 35 HA THR 35 -6.551 -5.170 1.744 257 HB THR 35 HB THR 35 -6.835 -3.749 4.400 258 HG1 THR 35 HG1 THR 35 -5.403 -5.993 3.601 259 HG21 THR 35 HG21 THR 35 -8.931 -4.646 3.381 260 HG22 THR 35 HG22 THR 35 -8.501 -5.392 4.922 261 HG23 THR 35 HG23 THR 35 -8.194 -6.250 3.412 262 HA PRO 36 HA PRO 36 -8.857 -1.832 0.023 263 HB2 PRO 36 HB2 PRO 36 -10.696 -3.263 -1.273 264 HB3 PRO 36 HB3 PRO 36 -8.998 -3.316 -1.747 265 HG2 PRO 36 HG2 PRO 36 -10.570 -5.270 -0.116 266 HG3 PRO 36 HG3 PRO 36 -9.401 -5.582 -1.413 267 HD2 PRO 36 HD2 PRO 36 -8.815 -5.699 1.278 268 HD3 PRO 36 HD3 PRO 36 -7.618 -5.414 0.003 269 H LYS 37 H LYS 37 -11.613 -1.995 -0.402 270 HA LYS 37 HA LYS 37 -12.560 -0.990 2.058 271 HB2 LYS 37 HB2 LYS 37 -14.074 -1.789 -0.426 272 HB3 LYS 37 HB3 LYS 37 -14.813 -0.998 0.950 273 HG2 LYS 37 HG2 LYS 37 -14.452 0.704 -0.599 274 HG3 LYS 37 HG3 LYS 37 -13.140 0.882 0.565 275 HD2 LYS 37 HD2 LYS 37 -11.556 -0.008 -0.918 276 HD3 LYS 37 HD3 LYS 37 -12.797 -0.700 -1.963 277 HE2 LYS 37 HE2 LYS 37 -11.813 1.257 -3.005 278 HE3 LYS 37 HE3 LYS 37 -13.501 1.558 -2.607 279 HZ1 LYS 37 HZ1 LYS 37 -12.091 3.440 -2.055 280 HZ2 LYS 37 HZ2 LYS 37 -11.172 2.479 -1.014 281 HZ3 LYS 37 HZ3 LYS 37 -12.795 2.790 -0.662
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