NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25098 | 2k6a | 15863 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1H SER 1 2.134 18.178 -5.569 2 H2 SER 1 2H SER 1 0.943 17.584 -4.516 3 H3 SER 1 3H SER 1 0.610 18.921 -5.509 4 HA SER 1 HA SER 1 -0.357 17.427 -6.824 5 HB2 SER 1 1HB SER 1 2.029 16.214 -7.887 6 HB3 SER 1 2HB SER 1 1.008 17.461 -8.609 7 HG SER 1 HG SER 1 3.462 17.715 -7.602 8 H ALA 2 H ALA 2 2.438 15.743 -5.400 9 HA ALA 2 HA ALA 2 0.774 13.628 -4.406 10 HB1 ALA 2 1HB ALA 2 1.727 11.815 -5.659 11 HB2 ALA 2 2HB ALA 2 1.074 12.990 -6.799 12 HB3 ALA 2 3HB ALA 2 2.813 12.911 -6.513 13 H THR 3 H THR 3 2.022 12.130 -3.068 14 HA THR 3 HA THR 3 4.348 13.491 -1.957 15 HB THR 3 HB THR 3 3.907 11.216 -0.437 16 HG1 THR 3 1HG THR 3 1.864 11.000 -1.582 17 HG21 THR 3 3HG2 THR 3 2.593 13.105 0.972 18 HG22 THR 3 1HG2 THR 3 3.453 14.122 -0.185 19 HG23 THR 3 2HG2 THR 3 4.351 13.019 0.858 20 H THR 4 H THR 4 6.282 12.946 -2.617 21 HA THR 4 HA THR 4 6.768 10.388 -3.905 22 HB THR 4 HB THR 4 8.990 12.295 -3.337 23 HG1 THR 4 1HG THR 4 6.989 12.741 -5.337 24 HG21 THR 4 3HG2 THR 4 8.945 11.585 -6.023 25 HG22 THR 4 1HG2 THR 4 8.377 10.140 -5.184 26 HG23 THR 4 2HG2 THR 4 9.935 10.851 -4.762 27 H ILE 5 H ILE 5 6.914 8.743 -2.498 28 HA ILE 5 HA ILE 5 7.856 9.222 0.190 29 HB ILE 5 HB ILE 5 6.993 7.148 0.792 30 HG12 ILE 5 2HG1 ILE 5 6.483 5.998 -1.863 31 HG13 ILE 5 1HG1 ILE 5 8.189 6.185 -1.476 32 HG21 ILE 5 1HG2 ILE 5 5.043 8.229 0.402 33 HG22 ILE 5 2HG2 ILE 5 5.416 8.523 -1.297 34 HG23 ILE 5 3HG2 ILE 5 4.855 6.932 -0.780 35 HD11 ILE 5 3HD1 ILE 5 8.026 4.234 -0.452 36 HD12 ILE 5 1HD1 ILE 5 7.137 5.084 0.814 37 HD13 ILE 5 2HD1 ILE 5 6.262 4.271 -0.485 38 H GLY 6 H GLY 6 9.569 8.237 1.209 39 HA2 GLY 6 1HA GLY 6 11.590 7.007 -0.546 40 HA3 GLY 6 2HA GLY 6 11.928 7.789 0.996 41 HA PRO 7 HA PRO 7 11.468 3.214 1.701 42 HB2 PRO 7 1HB PRO 7 13.875 2.707 2.767 43 HB3 PRO 7 2HB PRO 7 13.638 2.814 1.018 44 HG2 PRO 7 1HG PRO 7 14.754 4.843 2.909 45 HG3 PRO 7 2HG PRO 7 15.301 4.407 1.280 46 HD2 PRO 7 1HD PRO 7 13.743 6.602 1.863 47 HD3 PRO 7 2HD PRO 7 13.801 5.808 0.278 48 H ASN 8 H ASN 8 11.695 5.957 3.526 49 HA ASN 8 HA ASN 8 11.349 4.491 6.054 50 HB2 ASN 8 1HB ASN 8 13.534 5.987 5.570 51 HB3 ASN 8 2HB ASN 8 12.455 7.247 6.163 52 HD21 ASN 8 1HD2 ASN 8 14.256 7.249 7.786 53 HD22 ASN 8 2HD2 ASN 8 14.053 6.236 9.176 54 H THR 9 H THR 9 9.214 5.161 4.402 55 HA THR 9 HA THR 9 8.031 7.619 5.318 56 HB THR 9 HB THR 9 6.053 5.872 4.263 57 HG1 THR 9 1HG THR 9 8.218 6.009 2.455 58 HG21 THR 9 3HG2 THR 9 7.469 8.361 3.446 59 HG22 THR 9 1HG2 THR 9 5.750 8.076 3.718 60 HG23 THR 9 2HG2 THR 9 6.512 7.512 2.232 61 H CYS 10 H CYS 10 7.342 4.164 5.832 62 HA CYS 10 HA CYS 10 6.107 4.892 8.402 63 HB2 CYS 10 1HB CYS 10 5.221 2.793 6.415 64 HB3 CYS 10 2HB CYS 10 4.675 2.816 8.086 65 H SER 11 H SER 11 7.772 4.437 9.738 66 HA SER 11 HA SER 11 8.978 1.760 9.542 67 HB2 SER 11 1HB SER 11 10.377 3.537 11.338 68 HB3 SER 11 2HB SER 11 10.969 2.738 9.881 69 HG SER 11 HG SER 11 10.907 4.612 8.954 70 H ILE 12 H ILE 12 6.764 1.320 10.579 71 HA ILE 12 HA ILE 12 7.067 1.435 13.511 72 HB ILE 12 HB ILE 12 4.376 1.215 12.194 73 HG12 ILE 12 2HG1 ILE 12 5.008 3.893 13.161 74 HG13 ILE 12 1HG1 ILE 12 6.007 3.419 11.792 75 HG21 ILE 12 1HG2 ILE 12 4.871 0.760 14.668 76 HG22 ILE 12 2HG2 ILE 12 5.043 2.509 14.811 77 HG23 ILE 12 3HG2 ILE 12 3.513 1.815 14.272 78 HD11 ILE 12 3HD1 ILE 12 3.114 2.896 11.559 79 HD12 ILE 12 1HD1 ILE 12 3.627 4.583 11.525 80 HD13 ILE 12 2HD1 ILE 12 4.274 3.439 10.346 81 H ASP 13 H ASP 13 7.691 -0.550 14.096 82 HA ASP 13 HA ASP 13 7.626 -2.785 14.506 83 HB2 ASP 13 1HB ASP 13 5.147 -2.074 14.892 84 HB3 ASP 13 2HB ASP 13 4.844 -2.928 13.383 85 H ASP 14 H ASP 14 5.300 -3.494 12.079 86 HA ASP 14 HA ASP 14 7.371 -4.214 10.127 87 HB2 ASP 14 1HB ASP 14 6.635 -6.189 11.591 88 HB3 ASP 14 2HB ASP 14 5.074 -6.060 10.791 89 H TYR 15 H TYR 15 5.173 -2.153 10.527 90 HA TYR 15 HA TYR 15 3.314 -2.802 8.382 91 HB2 TYR 15 1HB TYR 15 3.426 -0.324 10.116 92 HB3 TYR 15 2HB TYR 15 2.098 -0.811 9.066 93 HD1 TYR 15 1HD TYR 15 1.090 -3.191 9.588 94 HD2 TYR 15 2HD TYR 15 3.316 -0.866 12.370 95 HE1 TYR 15 1HE TYR 15 0.110 -4.477 11.438 96 HE2 TYR 15 2HE TYR 15 2.340 -2.144 14.227 97 HH TYR 15 HH TYR 15 1.163 -4.916 14.120 98 H LYS 16 H LYS 16 4.285 -2.641 6.484 99 HA LYS 16 HA LYS 16 6.274 -0.689 5.857 100 HB2 LYS 16 1HB LYS 16 5.072 -3.044 4.618 101 HB3 LYS 16 2HB LYS 16 5.408 -1.766 3.459 102 HG2 LYS 16 1HG LYS 16 7.662 -2.069 5.182 103 HG3 LYS 16 2HG LYS 16 7.199 -3.651 4.548 104 HD2 LYS 16 1HD LYS 16 7.008 -1.903 2.378 105 HD3 LYS 16 2HD LYS 16 8.490 -1.439 3.218 106 HE2 LYS 16 2HE LYS 16 8.618 -4.183 3.221 107 HE3 LYS 16 1HE LYS 16 7.889 -3.829 1.655 108 HZ1 LYS 16 3HZ LYS 16 9.726 -2.572 1.003 109 HZ2 LYS 16 1HZ LYS 16 10.410 -3.914 1.781 110 HZ3 LYS 16 2HZ LYS 16 10.322 -2.426 2.586 111 HA PRO 17 HA PRO 17 3.644 2.439 4.091 112 HB2 PRO 17 1HB PRO 17 5.624 3.118 2.091 113 HB3 PRO 17 2HB PRO 17 5.202 3.995 3.563 114 HG2 PRO 17 1HG PRO 17 7.598 2.741 3.189 115 HG3 PRO 17 2HG PRO 17 6.863 3.002 4.782 116 HD2 PRO 17 1HD PRO 17 6.892 0.533 3.090 117 HD3 PRO 17 2HD PRO 17 7.098 0.699 4.848 118 H TYR 18 H TYR 18 1.987 2.153 2.775 119 HA TYR 18 HA TYR 18 2.428 0.829 0.180 120 HB2 TYR 18 1HB TYR 18 0.449 0.235 2.343 121 HB3 TYR 18 2HB TYR 18 -0.018 -0.028 0.668 122 HD1 TYR 18 2HD TYR 18 1.535 -1.531 -0.749 123 HD2 TYR 18 1HD TYR 18 1.615 -1.407 3.504 124 HE1 TYR 18 2HE TYR 18 2.625 -3.736 -0.710 125 HE2 TYR 18 1HE TYR 18 2.704 -3.610 3.555 126 HH TYR 18 HH TYR 18 2.669 -5.728 1.536 127 H CYS 19 H CYS 19 1.387 1.712 -1.537 128 HA CYS 19 HA CYS 19 -0.123 4.175 -1.090 129 HB2 CYS 19 1HB CYS 19 1.725 3.405 -3.018 130 HB3 CYS 19 2HB CYS 19 0.184 3.317 -3.866 131 H CYS 20 H CYS 20 -2.195 3.694 -0.535 132 HA CYS 20 HA CYS 20 -3.473 1.444 -1.917 133 HB2 CYS 20 1HB CYS 20 -3.520 2.429 0.824 134 HB3 CYS 20 2HB CYS 20 -5.134 2.132 0.180 135 H GLN 21 H GLN 21 -5.245 1.648 -3.079 136 HA GLN 21 HA GLN 21 -6.742 4.185 -2.975 137 HB2 GLN 21 1HB GLN 21 -6.870 2.490 -5.421 138 HB3 GLN 21 2HB GLN 21 -6.968 4.240 -5.264 139 HG2 GLN 21 1HG GLN 21 -4.447 4.028 -4.617 140 HG3 GLN 21 2HG GLN 21 -4.571 2.481 -5.456 141 HE21 GLN 21 1HE2 GLN 21 -6.124 5.587 -6.154 142 HE22 GLN 21 2HE2 GLN 21 -5.447 5.762 -7.737 143 H SER 22 H SER 22 -8.839 3.959 -2.424 144 HA SER 22 HA SER 22 -9.781 1.339 -1.731 145 HB2 SER 22 1HB SER 22 -11.741 3.516 -1.644 146 HB3 SER 22 2HB SER 22 -11.178 2.452 -0.353 147 HG SER 22 HG SER 22 -10.143 4.144 0.318 148 H MET 23 H MET 23 -11.187 0.079 -2.800 149 HA MET 23 HA MET 23 -11.850 0.775 -5.513 150 HB2 MET 23 1HB MET 23 -12.259 -1.672 -3.816 151 HB3 MET 23 2HB MET 23 -13.029 -1.524 -5.387 152 HG2 MET 23 1HG MET 23 -10.217 -0.885 -5.528 153 HG3 MET 23 2HG MET 23 -10.488 -2.491 -4.856 154 HE1 MET 23 3HE MET 23 -9.788 -4.250 -7.261 155 HE2 MET 23 1HE MET 23 -10.838 -4.323 -5.846 156 HE3 MET 23 2HE MET 23 -11.488 -4.691 -7.444 157 H SER 24 H SER 24 -14.013 0.687 -6.387 158 HA SER 24 HA SER 24 -15.782 2.326 -4.917 159 HB2 SER 24 1HB SER 24 -17.141 1.172 -7.124 160 HB3 SER 24 2HB SER 24 -16.402 2.772 -7.018 161 HG SER 24 HG SER 24 -15.651 0.991 -8.648 162 H GLY 25 H GLY 25 -16.680 -0.780 -6.432 163 HA2 GLY 25 1HA GLY 25 -18.490 -1.227 -4.147 164 HA3 GLY 25 2HA GLY 25 -18.741 -1.852 -5.769 165 H SER 26 H SER 26 -15.637 -1.938 -4.208 166 HA SER 26 HA SER 26 -15.954 -4.814 -3.717 167 HB2 SER 26 1HB SER 26 -13.254 -4.128 -4.542 168 HB3 SER 26 2HB SER 26 -14.338 -5.359 -5.188 169 HG SER 26 HG SER 26 -15.140 -3.927 -6.625 170 H ALA 27 H ALA 27 -15.079 -5.523 -1.835 171 HA ALA 27 HA ALA 27 -14.148 -3.501 0.022 172 HB1 ALA 27 1HB ALA 27 -15.304 -6.184 0.200 173 HB2 ALA 27 2HB ALA 27 -14.048 -5.862 1.394 174 HB3 ALA 27 3HB ALA 27 -15.457 -4.806 1.291 175 H SER 28 H SER 28 -12.277 -3.641 -1.862 176 HA SER 28 HA SER 28 -10.055 -5.005 -0.517 177 HB2 SER 28 1HB SER 28 -9.962 -4.791 -3.487 178 HB3 SER 28 2HB SER 28 -9.289 -6.029 -2.427 179 HG SER 28 HG SER 28 -11.337 -6.909 -2.186 180 H LEU 29 H LEU 29 -8.403 -3.678 -0.101 181 HA LEU 29 HA LEU 29 -8.352 -1.034 -1.293 182 HB2 LEU 29 1HB LEU 29 -6.443 -2.325 0.663 183 HB3 LEU 29 2HB LEU 29 -6.457 -0.631 0.211 184 HG LEU 29 HG LEU 29 -8.723 -2.030 1.634 185 HD11 LEU 29 1HD1 LEU 29 -7.270 -1.980 3.353 186 HD12 LEU 29 2HD1 LEU 29 -6.254 -0.749 2.604 187 HD13 LEU 29 3HD1 LEU 29 -7.743 -0.284 3.425 188 HD21 LEU 29 3HD2 LEU 29 -9.897 -0.221 1.119 189 HD22 LEU 29 1HD2 LEU 29 -8.748 0.749 2.037 190 HD23 LEU 29 2HD2 LEU 29 -8.507 0.500 0.308 191 H GLY 30 H GLY 30 -7.450 -0.735 -3.205 192 HA2 GLY 30 1HA GLY 30 -5.593 -2.635 -4.333 193 HA3 GLY 30 2HA GLY 30 -6.178 -1.160 -5.095 194 H CYS 31 H CYS 31 -3.654 -2.622 -3.319 195 HA CYS 31 HA CYS 31 -2.439 0.003 -2.792 196 HB2 CYS 31 1HB CYS 31 -2.901 -2.213 -1.108 197 HB3 CYS 31 2HB CYS 31 -1.162 -2.132 -1.364 198 H VAL 32 H VAL 32 -0.464 0.469 -3.532 199 HA VAL 32 HA VAL 32 1.064 -1.669 -4.868 200 HB VAL 32 HB VAL 32 1.675 1.252 -5.226 201 HG11 VAL 32 1HG1 VAL 32 2.187 0.112 -7.582 202 HG12 VAL 32 2HG1 VAL 32 3.353 0.117 -6.259 203 HG13 VAL 32 3HG1 VAL 32 2.357 -1.308 -6.550 204 HG21 VAL 32 3HG2 VAL 32 0.092 0.168 -7.391 205 HG22 VAL 32 1HG2 VAL 32 -0.809 0.195 -5.876 206 HG23 VAL 32 2HG2 VAL 32 -0.098 1.682 -6.506 207 H VAL 33 H VAL 33 3.153 -2.056 -4.178 208 HA VAL 33 HA VAL 33 3.779 -1.298 -1.523 209 HB VAL 33 HB VAL 33 4.496 -3.450 -2.423 210 HG11 VAL 33 1HG1 VAL 33 5.020 -2.522 -4.723 211 HG12 VAL 33 2HG1 VAL 33 6.577 -2.030 -4.056 212 HG13 VAL 33 3HG1 VAL 33 6.127 -3.735 -4.083 213 HG21 VAL 33 3HG2 VAL 33 7.132 -2.878 -1.914 214 HG22 VAL 33 1HG2 VAL 33 6.279 -1.561 -1.108 215 HG23 VAL 33 2HG2 VAL 33 5.900 -3.236 -0.704 216 H GLY 34 H GLY 34 4.890 0.384 -0.750 217 HA2 GLY 34 1HA GLY 34 5.770 2.434 -2.551 218 HA3 GLY 34 2HA GLY 34 5.853 2.472 -0.795 219 H VAL 35 H VAL 35 7.686 2.632 -3.430 220 HA VAL 35 HA VAL 35 9.999 1.457 -2.036 221 HB VAL 35 HB VAL 35 11.005 1.629 -4.485 222 HG11 VAL 35 1HG1 VAL 35 9.340 -0.547 -3.279 223 HG12 VAL 35 2HG1 VAL 35 10.119 -0.761 -4.848 224 HG13 VAL 35 3HG1 VAL 35 11.095 -0.428 -3.417 225 HG21 VAL 35 3HG2 VAL 35 8.564 0.606 -5.584 226 HG22 VAL 35 1HG2 VAL 35 8.303 2.239 -4.970 227 HG23 VAL 35 2HG2 VAL 35 9.573 1.935 -6.154 228 H ILE 36 H ILE 36 12.076 2.625 -3.156 229 HA ILE 36 HA ILE 36 11.913 5.287 -2.133 230 HB ILE 36 HB ILE 36 14.235 4.194 -3.713 231 HG12 ILE 36 2HG1 ILE 36 14.716 3.827 -0.953 232 HG13 ILE 36 1HG1 ILE 36 13.125 3.143 -1.269 233 HG21 ILE 36 1HG2 ILE 36 14.371 6.534 -3.162 234 HG22 ILE 36 2HG2 ILE 36 14.004 6.193 -1.471 235 HG23 ILE 36 3HG2 ILE 36 15.524 5.638 -2.173 236 HD11 ILE 36 3HD1 ILE 36 14.027 1.687 -2.948 237 HD12 ILE 36 1HD1 ILE 36 15.614 2.444 -2.807 238 HD13 ILE 36 2HD1 ILE 36 14.959 1.509 -1.462 239 H GLY 37 H GLY 37 10.855 6.792 -3.274 240 HA2 GLY 37 1HA GLY 37 11.125 8.476 -4.960 241 HA3 GLY 37 2HA GLY 37 11.786 7.249 -6.029 242 H SER 38 H SER 38 8.987 6.376 -4.234 243 HA SER 38 HA SER 38 7.455 6.161 -6.665 244 HB2 SER 38 1HB SER 38 6.318 5.699 -3.922 245 HB3 SER 38 2HB SER 38 5.916 4.898 -5.441 246 HG SER 38 HG SER 38 8.242 4.574 -3.852 247 H GLN 39 H GLN 39 6.142 7.640 -7.467 248 HA GLN 39 HA GLN 39 5.499 10.022 -5.967 249 HB2 GLN 39 1HB GLN 39 6.015 9.940 -8.463 250 HB3 GLN 39 2HB GLN 39 4.415 9.242 -8.676 251 HG2 GLN 39 1HG GLN 39 4.154 11.526 -9.105 252 HG3 GLN 39 2HG GLN 39 3.516 11.288 -7.480 253 HE21 GLN 39 1HE2 GLN 39 4.905 13.536 -9.092 254 HE22 GLN 39 2HE2 GLN 39 6.076 14.157 -7.970 255 H CYS 40 H CYS 40 4.315 9.063 -4.273 256 HA CYS 40 HA CYS 40 1.981 7.489 -4.804 257 HB2 CYS 40 1HB CYS 40 3.567 8.256 -2.490 258 HB3 CYS 40 2HB CYS 40 1.837 8.326 -2.156 259 H GLY 41 H GLY 41 0.448 8.589 -5.893 260 HA2 GLY 41 1HA GLY 41 -0.487 11.152 -4.820 261 HA3 GLY 41 2HA GLY 41 -0.946 10.452 -6.367 262 H ALA 42 H ALA 42 -0.905 8.381 -3.655 263 HA ALA 42 HA ALA 42 -3.822 8.580 -3.357 264 HB1 ALA 42 1HB ALA 42 -2.137 6.125 -3.777 265 HB2 ALA 42 2HB ALA 42 -3.730 6.043 -3.021 266 HB3 ALA 42 3HB ALA 42 -3.566 6.647 -4.670 267 H SER 43 H SER 43 -4.233 6.796 -1.363 268 HA SER 43 HA SER 43 -3.201 8.154 0.915 269 HB2 SER 43 1HB SER 43 -4.476 5.513 1.296 270 HB3 SER 43 2HB SER 43 -4.845 7.065 2.048 271 HG SER 43 HG SER 43 -6.203 7.541 0.468 272 H VAL 44 H VAL 44 -1.102 7.920 1.390 273 HA VAL 44 HA VAL 44 0.253 5.373 1.110 274 HB VAL 44 HB VAL 44 1.547 7.623 2.569 275 HG11 VAL 44 1HG1 VAL 44 2.457 5.266 1.741 276 HG12 VAL 44 2HG1 VAL 44 2.778 6.198 0.279 277 HG13 VAL 44 3HG1 VAL 44 3.484 6.698 1.815 278 HG21 VAL 44 3HG2 VAL 44 1.864 9.018 0.754 279 HG22 VAL 44 1HG2 VAL 44 1.476 7.757 -0.416 280 HG23 VAL 44 2HG2 VAL 44 0.192 8.508 0.528 281 H LYS 45 H LYS 45 -0.760 4.032 2.582 282 HA LYS 45 HA LYS 45 -0.781 4.865 5.397 283 HB2 LYS 45 1HB LYS 45 -1.999 2.277 4.665 284 HB3 LYS 45 2HB LYS 45 -2.604 3.546 5.718 285 HG2 LYS 45 1HG LYS 45 -2.705 4.618 3.145 286 HG3 LYS 45 2HG LYS 45 -3.270 2.955 2.987 287 HD2 LYS 45 1HD LYS 45 -4.335 4.431 5.299 288 HD3 LYS 45 2HD LYS 45 -4.844 5.034 3.720 289 HE2 LYS 45 2HE LYS 45 -6.074 3.188 3.263 290 HE3 LYS 45 1HE LYS 45 -4.954 2.107 4.091 291 HZ1 LYS 45 3HZ LYS 45 -5.844 2.815 6.203 292 HZ2 LYS 45 1HZ LYS 45 -7.113 2.268 5.214 293 HZ3 LYS 45 2HZ LYS 45 -6.873 3.931 5.441 294 H CYS 46 H CYS 46 -0.275 3.122 6.990 295 HA CYS 46 HA CYS 46 1.991 1.505 6.050 296 HB2 CYS 46 1HB CYS 46 1.614 1.958 8.959 297 HB3 CYS 46 2HB CYS 46 3.097 1.909 8.010 298 H CYS 47 H CYS 47 1.335 -0.493 5.662 299 HA CYS 47 HA CYS 47 -0.487 -1.770 7.593 300 HB2 CYS 47 1HB CYS 47 -0.549 -2.592 4.724 301 HB3 CYS 47 2HB CYS 47 -1.825 -2.647 5.935 302 H LYS 48 H LYS 48 -0.332 -4.168 7.604 303 HA LYS 48 HA LYS 48 2.476 -4.931 7.212 304 HB2 LYS 48 1HB LYS 48 0.910 -5.233 9.415 305 HB3 LYS 48 2HB LYS 48 0.650 -6.780 8.623 306 HG2 LYS 48 1HG LYS 48 3.375 -6.458 8.474 307 HG3 LYS 48 2HG LYS 48 2.973 -5.780 10.052 308 HD2 LYS 48 1HD LYS 48 3.240 -7.975 10.630 309 HD3 LYS 48 2HD LYS 48 1.521 -7.979 10.234 310 HE2 LYS 48 2HE LYS 48 2.963 -9.858 9.268 311 HE3 LYS 48 1HE LYS 48 1.883 -9.011 8.162 312 HZ1 LYS 48 3HZ LYS 48 4.169 -9.406 7.309 313 HZ2 LYS 48 1HZ LYS 48 4.758 -8.338 8.488 314 HZ3 LYS 48 2HZ LYS 48 3.696 -7.784 7.286 315 H ASP 49 H ASP 49 -0.807 -5.739 6.482 316 HA ASP 49 HA ASP 49 -1.771 -7.495 5.366 317 HB2 ASP 49 1HB ASP 49 -1.191 -5.497 3.802 318 HB3 ASP 49 2HB ASP 49 -0.053 -6.632 3.075 319 H ASP 50 H ASP 50 0.206 -8.222 2.875 320 HA ASP 50 HA ASP 50 1.719 -10.249 4.348 321 HB2 ASP 50 1HB ASP 50 -0.253 -11.385 3.433 322 HB3 ASP 50 2HB ASP 50 0.145 -10.792 1.821 323 H VAL 51 H VAL 51 3.701 -9.455 4.066 324 HA VAL 51 HA VAL 51 4.607 -9.027 1.295 325 HB VAL 51 HB VAL 51 6.666 -8.469 3.228 326 HG11 VAL 51 1HG1 VAL 51 5.735 -6.101 2.002 327 HG12 VAL 51 2HG1 VAL 51 7.130 -7.087 1.559 328 HG13 VAL 51 3HG1 VAL 51 5.557 -7.406 0.830 329 HG21 VAL 51 3HG2 VAL 51 4.687 -8.066 4.718 330 HG22 VAL 51 1HG2 VAL 51 5.737 -6.670 4.480 331 HG23 VAL 51 2HG2 VAL 51 4.203 -6.777 3.615 332 H THR 52 H THR 52 4.049 -11.524 2.889 333 HA THR 52 HA THR 52 6.694 -12.703 3.160 334 HB THR 52 HB THR 52 4.545 -14.535 3.715 335 HG1 THR 52 1HG THR 52 3.146 -13.021 4.329 336 HG21 THR 52 3HG2 THR 52 5.672 -13.834 6.114 337 HG22 THR 52 1HG2 THR 52 6.955 -13.447 4.969 338 HG23 THR 52 2HG2 THR 52 6.286 -15.078 5.028 339 H ASN 53 H ASN 53 3.647 -13.271 1.392 340 HA ASN 53 HA ASN 53 5.213 -14.935 -0.479 341 HB2 ASN 53 1HB ASN 53 3.451 -16.192 0.808 342 HB3 ASN 53 2HB ASN 53 2.241 -15.186 0.015 343 HD21 ASN 53 1HD2 ASN 53 1.283 -16.245 -1.558 344 HD22 ASN 53 2HD2 ASN 53 2.048 -17.324 -2.679 345 H THR 54 H THR 54 2.909 -12.372 -0.074 346 HA THR 54 HA THR 54 2.806 -11.979 -2.982 347 HB THR 54 HB THR 54 1.189 -10.166 -1.346 348 HG1 THR 54 1HG THR 54 1.137 -12.196 -0.102 349 HG21 THR 54 3HG2 THR 54 0.528 -12.097 -3.573 350 HG22 THR 54 1HG2 THR 54 0.948 -10.396 -3.771 351 HG23 THR 54 2HG2 THR 54 -0.543 -10.846 -2.943 352 H GLY 55 H GLY 55 2.887 -9.656 -3.710 353 HA2 GLY 55 1HA GLY 55 3.544 -7.375 -2.755 354 HA3 GLY 55 2HA GLY 55 4.972 -8.232 -2.193 355 H ASN 56 H ASN 56 3.139 -7.536 -5.162 356 HA ASN 56 HA ASN 56 5.728 -7.315 -6.540 357 HB2 ASN 56 1HB ASN 56 4.437 -7.960 -8.650 358 HB3 ASN 56 2HB ASN 56 4.752 -9.246 -7.491 359 HD21 ASN 56 1HD2 ASN 56 3.104 -10.402 -6.781 360 HD22 ASN 56 2HD2 ASN 56 1.424 -10.045 -7.053 361 H SER 57 H SER 57 3.603 -6.547 -8.817 362 HA SER 57 HA SER 57 4.063 -3.731 -8.505 363 HB2 SER 57 1HB SER 57 2.229 -4.653 -10.626 364 HB3 SER 57 2HB SER 57 3.666 -3.636 -10.740 365 HG SER 57 HG SER 57 4.641 -5.347 -11.460 366 H PHE 58 H PHE 58 1.627 -5.891 -7.555 367 HA PHE 58 HA PHE 58 0.034 -3.679 -6.583 368 HB2 PHE 58 1HB PHE 58 -0.735 -4.785 -8.972 369 HB3 PHE 58 2HB PHE 58 -1.665 -5.736 -7.818 370 HD1 PHE 58 2HD PHE 58 -0.777 -2.170 -8.481 371 HD2 PHE 58 1HD PHE 58 -3.744 -4.952 -7.230 372 HE1 PHE 58 2HE PHE 58 -2.411 -0.343 -8.315 373 HE2 PHE 58 1HE PHE 58 -5.385 -3.128 -7.054 374 HZ PHE 58 HZ PHE 58 -4.722 -0.820 -7.598 375 H LEU 59 H LEU 59 -1.281 -4.226 -4.850 376 HA LEU 59 HA LEU 59 -1.407 -7.001 -3.980 377 HB2 LEU 59 1HB LEU 59 0.460 -5.183 -2.897 378 HB3 LEU 59 2HB LEU 59 -0.821 -5.327 -1.711 379 HG LEU 59 HG LEU 59 0.689 -7.668 -2.872 380 HD11 LEU 59 1HD1 LEU 59 2.324 -7.247 -1.444 381 HD12 LEU 59 2HD1 LEU 59 1.505 -5.771 -0.929 382 HD13 LEU 59 3HD1 LEU 59 1.174 -7.295 -0.107 383 HD21 LEU 59 3HD2 LEU 59 -0.465 -8.264 -0.383 384 HD22 LEU 59 1HD2 LEU 59 -1.717 -7.458 -1.326 385 HD23 LEU 59 2HD2 LEU 59 -0.923 -8.897 -1.963 386 H ILE 60 H ILE 60 -3.302 -7.430 -2.911 387 HA ILE 60 HA ILE 60 -5.104 -5.140 -2.557 388 HB ILE 60 HB ILE 60 -5.536 -7.937 -3.431 389 HG12 ILE 60 2HG1 ILE 60 -7.513 -6.631 -4.545 390 HG13 ILE 60 1HG1 ILE 60 -6.612 -5.206 -4.036 391 HG21 ILE 60 1HG2 ILE 60 -7.712 -8.210 -2.592 392 HG22 ILE 60 2HG2 ILE 60 -6.750 -7.712 -1.201 393 HG23 ILE 60 3HG2 ILE 60 -7.791 -6.545 -2.018 394 HD11 ILE 60 3HD1 ILE 60 -4.832 -5.686 -5.442 395 HD12 ILE 60 1HD1 ILE 60 -5.299 -7.379 -5.618 396 HD13 ILE 60 2HD1 ILE 60 -6.248 -6.115 -6.401 397 H ILE 61 H ILE 61 -5.405 -4.476 -0.570 398 HA ILE 61 HA ILE 61 -4.876 -6.283 1.670 399 HB ILE 61 HB ILE 61 -5.361 -3.298 1.672 400 HG12 ILE 61 2HG1 ILE 61 -2.786 -4.825 2.113 401 HG13 ILE 61 1HG1 ILE 61 -3.234 -4.070 0.586 402 HG21 ILE 61 1HG2 ILE 61 -5.936 -3.805 3.814 403 HG22 ILE 61 2HG2 ILE 61 -4.995 -5.297 3.829 404 HG23 ILE 61 3HG2 ILE 61 -4.185 -3.742 4.020 405 HD11 ILE 61 3HD1 ILE 61 -3.177 -1.895 1.582 406 HD12 ILE 61 1HD1 ILE 61 -2.920 -2.590 3.184 407 HD13 ILE 61 2HD1 ILE 61 -1.669 -2.733 1.950 408 H ASN 62 H ASN 62 -6.462 -7.157 2.823 409 HA ASN 62 HA ASN 62 -9.205 -6.572 2.086 410 HB2 ASN 62 1HB ASN 62 -7.975 -8.896 2.650 411 HB3 ASN 62 2HB ASN 62 -8.613 -8.518 4.247 412 HD21 ASN 62 1HD2 ASN 62 -10.272 -9.852 4.483 413 HD22 ASN 62 2HD2 ASN 62 -11.619 -9.978 3.394 414 H ALA 63 H ALA 63 -8.064 -4.428 3.354 415 HA ALA 63 HA ALA 63 -8.603 -2.821 4.846 416 HB1 ALA 63 1HB ALA 63 -10.813 -2.815 4.965 417 HB2 ALA 63 2HB ALA 63 -10.896 -4.576 4.903 418 HB3 ALA 63 3HB ALA 63 -10.652 -3.757 6.446 419 H ALA 64 H ALA 64 -9.060 -5.900 6.612 420 HA ALA 64 HA ALA 64 -8.103 -4.694 9.052 421 HB1 ALA 64 1HB ALA 64 -8.502 -7.626 8.856 422 HB2 ALA 64 2HB ALA 64 -8.983 -6.498 10.124 423 HB3 ALA 64 3HB ALA 64 -9.909 -6.588 8.625 424 H ASN 65 H ASN 65 -6.064 -4.475 7.316 425 HA ASN 65 HA ASN 65 -4.046 -6.169 8.576 426 HB2 ASN 65 1HB ASN 65 -4.918 -6.550 5.906 427 HB3 ASN 65 2HB ASN 65 -3.310 -5.833 5.836 428 HD21 ASN 65 1HD2 ASN 65 -3.732 -8.332 4.919 429 HD22 ASN 65 2HD2 ASN 65 -2.965 -9.472 5.965 430 H CYS 66 H CYS 66 -5.101 -3.268 8.204 431 HA CYS 66 HA CYS 66 -2.440 -2.048 7.987 432 HB2 CYS 66 1HB CYS 66 -4.080 -1.694 5.986 433 HB3 CYS 66 2HB CYS 66 -4.908 -0.590 7.079 434 H VAL 67 H VAL 67 -2.034 -0.333 9.406 435 HA VAL 67 HA VAL 67 -4.010 -0.074 11.577 436 HB VAL 67 HB VAL 67 -2.073 0.737 12.961 437 HG11 VAL 67 1HG1 VAL 67 -1.195 -1.938 12.174 438 HG12 VAL 67 2HG1 VAL 67 -1.805 -1.351 13.722 439 HG13 VAL 67 3HG1 VAL 67 -2.933 -1.801 12.443 440 HG21 VAL 67 3HG2 VAL 67 -0.479 -0.240 10.597 441 HG22 VAL 67 1HG2 VAL 67 -0.562 1.414 11.203 442 HG23 VAL 67 2HG2 VAL 67 0.195 0.154 12.178 443 H ALA 68 H ALA 68 -3.467 1.451 8.917 444 HA ALA 68 HA ALA 68 -3.886 4.101 10.093 445 HB1 ALA 68 1HB ALA 68 -2.236 3.775 7.606 446 HB2 ALA 68 2HB ALA 68 -2.377 5.179 8.663 447 HB3 ALA 68 3HB ALA 68 -1.495 3.752 9.206 Start of MODEL 2 1 H1 SER 1 1H SER 1 -1.102 17.842 -5.144 2 H2 SER 1 2H SER 1 0.355 17.284 -4.481 3 H3 SER 1 3H SER 1 -1.122 16.687 -3.897 4 HA SER 1 HA SER 1 -1.588 15.712 -6.054 5 HB2 SER 1 1HB SER 1 1.102 15.790 -7.091 6 HB3 SER 1 2HB SER 1 -0.401 16.290 -7.864 7 HG SER 1 HG SER 1 0.299 18.250 -7.631 8 H ALA 2 H ALA 2 1.888 15.218 -5.708 9 HA ALA 2 HA ALA 2 1.280 12.603 -4.497 10 HB1 ALA 2 1HB ALA 2 2.776 13.272 -6.795 11 HB2 ALA 2 2HB ALA 2 3.914 12.681 -5.586 12 HB3 ALA 2 3HB ALA 2 2.543 11.683 -6.070 13 H THR 3 H THR 3 2.757 11.762 -2.926 14 HA THR 3 HA THR 3 3.965 13.861 -1.298 15 HB THR 3 HB THR 3 4.211 11.452 0.076 16 HG1 THR 3 1HG THR 3 1.541 11.430 -0.649 17 HG21 THR 3 3HG2 THR 3 3.116 12.627 1.640 18 HG22 THR 3 1HG2 THR 3 1.715 12.867 0.595 19 HG23 THR 3 2HG2 THR 3 3.104 13.947 0.470 20 H THR 4 H THR 4 4.852 11.153 -3.263 21 HA THR 4 HA THR 4 6.816 10.139 -3.793 22 HB THR 4 HB THR 4 8.336 12.468 -2.651 23 HG1 THR 4 1HG THR 4 7.464 13.780 -4.055 24 HG21 THR 4 3HG2 THR 4 8.694 10.702 -5.076 25 HG22 THR 4 1HG2 THR 4 9.654 10.672 -3.596 26 HG23 THR 4 2HG2 THR 4 9.727 12.071 -4.668 27 H ILE 5 H ILE 5 6.750 8.428 -2.365 28 HA ILE 5 HA ILE 5 7.536 8.852 0.393 29 HB ILE 5 HB ILE 5 6.580 6.845 0.928 30 HG12 ILE 5 2HG1 ILE 5 6.353 5.432 -1.586 31 HG13 ILE 5 1HG1 ILE 5 8.031 5.851 -1.249 32 HG21 ILE 5 1HG2 ILE 5 4.481 6.765 -0.021 33 HG22 ILE 5 2HG2 ILE 5 5.011 8.402 -0.409 34 HG23 ILE 5 3HG2 ILE 5 5.080 7.136 -1.637 35 HD11 ILE 5 3HD1 ILE 5 6.995 3.612 -0.385 36 HD12 ILE 5 1HD1 ILE 5 8.134 4.523 0.606 37 HD13 ILE 5 2HD1 ILE 5 6.402 4.638 0.921 38 H GLY 6 H GLY 6 9.075 7.453 1.460 39 HA2 GLY 6 1HA GLY 6 11.034 6.018 -0.069 40 HA3 GLY 6 2HA GLY 6 11.633 7.568 0.512 41 HA PRO 7 HA PRO 7 12.297 4.605 3.967 42 HB2 PRO 7 1HB PRO 7 14.912 5.722 4.331 43 HB3 PRO 7 2HB PRO 7 14.493 4.121 3.725 44 HG2 PRO 7 1HG PRO 7 15.668 6.127 2.224 45 HG3 PRO 7 2HG PRO 7 14.783 4.742 1.558 46 HD2 PRO 7 1HD PRO 7 13.879 7.558 1.966 47 HD3 PRO 7 2HD PRO 7 13.488 6.425 0.656 48 H ASN 8 H ASN 8 10.753 6.781 4.323 49 HA ASN 8 HA ASN 8 11.575 7.819 6.873 50 HB2 ASN 8 1HB ASN 8 12.391 9.814 6.263 51 HB3 ASN 8 2HB ASN 8 12.335 9.274 4.592 52 HD21 ASN 8 1HD2 ASN 8 11.419 11.626 6.671 53 HD22 ASN 8 2HD2 ASN 8 10.103 12.320 5.776 54 H THR 9 H THR 9 9.247 7.129 4.513 55 HA THR 9 HA THR 9 7.250 8.980 5.404 56 HB THR 9 HB THR 9 6.597 6.633 3.683 57 HG1 THR 9 1HG THR 9 8.234 8.860 2.977 58 HG21 THR 9 3HG2 THR 9 5.617 8.807 2.442 59 HG22 THR 9 1HG2 THR 9 5.667 9.418 4.096 60 HG23 THR 9 2HG2 THR 9 4.745 7.960 3.721 61 H CYS 10 H CYS 10 7.940 5.560 5.972 62 HA CYS 10 HA CYS 10 5.584 5.504 7.745 63 HB2 CYS 10 1HB CYS 10 5.831 3.846 5.720 64 HB3 CYS 10 2HB CYS 10 6.924 2.994 6.806 65 H SER 11 H SER 11 5.859 5.112 9.849 66 HA SER 11 HA SER 11 8.349 3.880 10.780 67 HB2 SER 11 1HB SER 11 7.506 5.949 12.617 68 HB3 SER 11 2HB SER 11 9.074 5.727 11.841 69 HG SER 11 HG SER 11 8.567 7.158 10.365 70 H ILE 12 H ILE 12 5.375 3.252 10.483 71 HA ILE 12 HA ILE 12 4.525 3.042 13.263 72 HB ILE 12 HB ILE 12 2.942 2.232 10.827 73 HG12 ILE 12 2HG1 ILE 12 2.213 4.769 12.068 74 HG13 ILE 12 1HG1 ILE 12 3.836 4.803 11.387 75 HG21 ILE 12 1HG2 ILE 12 1.322 3.220 12.909 76 HG22 ILE 12 2HG2 ILE 12 1.453 1.558 12.336 77 HG23 ILE 12 3HG2 ILE 12 2.483 2.121 13.651 78 HD11 ILE 12 3HD1 ILE 12 1.912 5.539 9.903 79 HD12 ILE 12 1HD1 ILE 12 3.058 4.380 9.230 80 HD13 ILE 12 2HD1 ILE 12 1.486 3.830 9.807 81 H ASP 13 H ASP 13 5.706 1.396 14.120 82 HA ASP 13 HA ASP 13 6.196 -0.730 14.732 83 HB2 ASP 13 1HB ASP 13 3.481 -0.568 14.404 84 HB3 ASP 13 2HB ASP 13 3.880 -1.963 13.408 85 H ASP 14 H ASP 14 4.941 -2.985 12.955 86 HA ASP 14 HA ASP 14 7.321 -3.192 11.270 87 HB2 ASP 14 1HB ASP 14 7.310 -5.434 11.644 88 HB3 ASP 14 2HB ASP 14 6.362 -4.971 13.049 89 H TYR 15 H TYR 15 4.613 -1.797 10.783 90 HA TYR 15 HA TYR 15 3.575 -3.159 8.461 91 HB2 TYR 15 1HB TYR 15 3.003 -0.364 9.478 92 HB3 TYR 15 2HB TYR 15 2.076 -1.231 8.257 93 HD1 TYR 15 2HD TYR 15 2.928 -1.092 11.839 94 HD2 TYR 15 1HD TYR 15 0.444 -2.886 8.890 95 HE1 TYR 15 2HE TYR 15 1.517 -2.035 13.612 96 HE2 TYR 15 1HE TYR 15 -0.979 -3.833 10.662 97 HH TYR 15 HH TYR 15 -0.573 -4.484 13.199 98 H LYS 16 H LYS 16 3.542 -2.178 6.326 99 HA LYS 16 HA LYS 16 6.029 -0.682 5.795 100 HB2 LYS 16 1HB LYS 16 5.123 -2.166 3.499 101 HB3 LYS 16 2HB LYS 16 6.664 -2.258 4.338 102 HG2 LYS 16 1HG LYS 16 4.937 -3.637 5.995 103 HG3 LYS 16 2HG LYS 16 4.414 -4.082 4.369 104 HD2 LYS 16 1HD LYS 16 6.047 -5.634 4.578 105 HD3 LYS 16 2HD LYS 16 7.076 -4.293 4.071 106 HE2 LYS 16 2HE LYS 16 8.206 -5.004 5.936 107 HE3 LYS 16 1HE LYS 16 7.148 -3.784 6.640 108 HZ1 LYS 16 3HZ LYS 16 6.376 -5.337 7.986 109 HZ2 LYS 16 1HZ LYS 16 7.302 -6.537 7.222 110 HZ3 LYS 16 2HZ LYS 16 5.744 -6.183 6.656 111 HA PRO 17 HA PRO 17 3.491 2.239 3.688 112 HB2 PRO 17 1HB PRO 17 5.565 3.011 1.862 113 HB3 PRO 17 2HB PRO 17 5.066 3.823 3.344 114 HG2 PRO 17 1HG PRO 17 7.496 2.563 2.970 115 HG3 PRO 17 2HG PRO 17 6.765 2.919 4.545 116 HD2 PRO 17 1HD PRO 17 6.856 0.356 3.028 117 HD3 PRO 17 2HD PRO 17 6.918 0.637 4.781 118 H TYR 18 H TYR 18 2.062 2.168 2.072 119 HA TYR 18 HA TYR 18 2.803 0.801 -0.421 120 HB2 TYR 18 1HB TYR 18 0.364 0.286 1.282 121 HB3 TYR 18 2HB TYR 18 0.458 -0.183 -0.412 122 HD1 TYR 18 1HD TYR 18 2.482 -1.677 -1.069 123 HD2 TYR 18 2HD TYR 18 1.092 -1.196 2.922 124 HE1 TYR 18 1HE TYR 18 3.596 -3.776 -0.432 125 HE2 TYR 18 2HE TYR 18 2.200 -3.288 3.570 126 HH TYR 18 HH TYR 18 2.944 -5.420 2.379 127 H CYS 19 H CYS 19 1.811 1.566 -2.258 128 HA CYS 19 HA CYS 19 0.688 4.213 -2.088 129 HB2 CYS 19 1HB CYS 19 2.056 2.743 -4.050 130 HB3 CYS 19 2HB CYS 19 0.436 2.979 -4.698 131 H CYS 20 H CYS 20 -1.106 3.445 -0.731 132 HA CYS 20 HA CYS 20 -3.098 1.744 -1.933 133 HB2 CYS 20 1HB CYS 20 -2.909 3.209 0.694 134 HB3 CYS 20 2HB CYS 20 -4.364 2.346 0.209 135 H GLN 21 H GLN 21 -4.820 2.345 -3.022 136 HA GLN 21 HA GLN 21 -5.494 5.188 -3.171 137 HB2 GLN 21 1HB GLN 21 -6.912 3.187 -4.851 138 HB3 GLN 21 2HB GLN 21 -6.371 4.808 -5.258 139 HG2 GLN 21 1HG GLN 21 -4.250 2.824 -4.783 140 HG3 GLN 21 2HG GLN 21 -5.253 2.562 -6.206 141 HE21 GLN 21 1HE2 GLN 21 -5.177 4.028 -7.900 142 HE22 GLN 21 2HE2 GLN 21 -3.937 5.225 -8.032 143 H SER 22 H SER 22 -7.887 5.664 -3.238 144 HA SER 22 HA SER 22 -9.126 4.357 -0.962 145 HB2 SER 22 1HB SER 22 -10.518 6.526 -2.463 146 HB3 SER 22 2HB SER 22 -10.354 6.287 -0.723 147 HG SER 22 HG SER 22 -7.976 6.758 -1.295 148 H MET 23 H MET 23 -9.989 2.439 -1.517 149 HA MET 23 HA MET 23 -11.361 2.115 -4.061 150 HB2 MET 23 1HB MET 23 -10.002 0.388 -2.207 151 HB3 MET 23 2HB MET 23 -11.623 -0.226 -2.504 152 HG2 MET 23 1HG MET 23 -10.688 0.453 -5.018 153 HG3 MET 23 2HG MET 23 -9.289 -0.245 -4.208 154 HE1 MET 23 3HE MET 23 -10.416 -1.853 -6.815 155 HE2 MET 23 1HE MET 23 -9.008 -2.047 -5.770 156 HE3 MET 23 2HE MET 23 -10.091 -3.409 -6.052 157 H SER 24 H SER 24 -13.342 2.970 -4.070 158 HA SER 24 HA SER 24 -15.056 2.799 -1.749 159 HB2 SER 24 1HB SER 24 -16.298 3.727 -4.226 160 HB3 SER 24 2HB SER 24 -16.138 4.543 -2.670 161 HG SER 24 HG SER 24 -14.151 5.284 -3.250 162 H GLY 25 H GLY 25 -14.547 1.075 -4.697 163 HA2 GLY 25 1HA GLY 25 -17.142 -0.077 -4.937 164 HA3 GLY 25 2HA GLY 25 -15.672 -0.650 -5.711 165 H SER 26 H SER 26 -14.077 -1.616 -3.978 166 HA SER 26 HA SER 26 -15.652 -3.582 -2.460 167 HB2 SER 26 1HB SER 26 -12.953 -4.442 -2.778 168 HB3 SER 26 2HB SER 26 -14.408 -5.134 -3.497 169 HG SER 26 HG SER 26 -12.616 -3.236 -4.560 170 H ALA 27 H ALA 27 -15.069 -4.102 -0.356 171 HA ALA 27 HA ALA 27 -13.583 -2.091 1.086 172 HB1 ALA 27 1HB ALA 27 -15.051 -4.576 1.933 173 HB2 ALA 27 2HB ALA 27 -14.117 -3.594 3.063 174 HB3 ALA 27 3HB ALA 27 -15.494 -2.893 2.214 175 H SER 28 H SER 28 -11.778 -2.859 -0.497 176 HA SER 28 HA SER 28 -9.938 -4.476 1.081 177 HB2 SER 28 1HB SER 28 -10.090 -4.985 -1.882 178 HB3 SER 28 2HB SER 28 -9.415 -6.007 -0.613 179 HG SER 28 HG SER 28 -11.832 -5.915 0.094 180 H LEU 29 H LEU 29 -7.744 -3.910 0.689 181 HA LEU 29 HA LEU 29 -7.576 -1.173 -0.261 182 HB2 LEU 29 1HB LEU 29 -6.062 -2.880 1.596 183 HB3 LEU 29 2HB LEU 29 -5.092 -1.746 0.674 184 HG LEU 29 HG LEU 29 -5.739 -0.826 2.852 185 HD11 LEU 29 1HD1 LEU 29 -6.021 0.405 0.337 186 HD12 LEU 29 2HD1 LEU 29 -7.365 0.977 1.324 187 HD13 LEU 29 3HD1 LEU 29 -5.706 1.178 1.888 188 HD21 LEU 29 3HD2 LEU 29 -8.449 -1.567 1.895 189 HD22 LEU 29 1HD2 LEU 29 -7.754 -1.656 3.514 190 HD23 LEU 29 2HD2 LEU 29 -8.284 -0.105 2.865 191 H GLY 30 H GLY 30 -7.510 -1.229 -2.450 192 HA2 GLY 30 1HA GLY 30 -5.681 -2.922 -3.889 193 HA3 GLY 30 2HA GLY 30 -6.654 -1.618 -4.566 194 H CYS 31 H CYS 31 -3.654 -2.451 -2.990 195 HA CYS 31 HA CYS 31 -2.629 0.247 -3.590 196 HB2 CYS 31 1HB CYS 31 -1.365 -1.567 -1.565 197 HB3 CYS 31 2HB CYS 31 -1.298 0.188 -1.674 198 H VAL 32 H VAL 32 -0.096 0.109 -3.606 199 HA VAL 32 HA VAL 32 0.901 -2.367 -4.772 200 HB VAL 32 HB VAL 32 0.721 -1.392 -6.827 201 HG11 VAL 32 1HG1 VAL 32 0.051 0.898 -5.386 202 HG12 VAL 32 2HG1 VAL 32 1.357 1.385 -6.466 203 HG13 VAL 32 3HG1 VAL 32 -0.099 0.638 -7.124 204 HG21 VAL 32 3HG2 VAL 32 3.022 -1.661 -6.826 205 HG22 VAL 32 1HG2 VAL 32 2.818 0.009 -7.364 206 HG23 VAL 32 2HG2 VAL 32 3.278 -0.331 -5.695 207 H VAL 33 H VAL 33 3.143 -2.665 -4.391 208 HA VAL 33 HA VAL 33 4.034 -1.881 -1.905 209 HB VAL 33 HB VAL 33 5.951 -2.566 -4.121 210 HG11 VAL 33 1HG1 VAL 33 7.026 -2.017 -2.065 211 HG12 VAL 33 2HG1 VAL 33 5.920 -3.039 -1.145 212 HG13 VAL 33 3HG1 VAL 33 7.091 -3.770 -2.245 213 HG21 VAL 33 3HG2 VAL 33 3.769 -4.185 -3.035 214 HG22 VAL 33 1HG2 VAL 33 4.713 -4.393 -4.511 215 HG23 VAL 33 2HG2 VAL 33 5.349 -4.967 -2.968 216 H GLY 34 H GLY 34 4.509 0.071 -1.187 217 HA2 GLY 34 1HA GLY 34 5.433 2.163 -2.945 218 HA3 GLY 34 2HA GLY 34 5.134 2.298 -1.217 219 H VAL 35 H VAL 35 7.468 1.909 -3.644 220 HA VAL 35 HA VAL 35 9.535 1.197 -1.683 221 HB VAL 35 HB VAL 35 11.000 1.011 -3.785 222 HG11 VAL 35 1HG1 VAL 35 8.930 -1.073 -3.990 223 HG12 VAL 35 2HG1 VAL 35 10.669 -1.217 -3.729 224 HG13 VAL 35 3HG1 VAL 35 9.605 -0.813 -2.382 225 HG21 VAL 35 3HG2 VAL 35 8.636 1.945 -4.994 226 HG22 VAL 35 1HG2 VAL 35 10.125 1.432 -5.785 227 HG23 VAL 35 2HG2 VAL 35 8.832 0.267 -5.502 228 H ILE 36 H ILE 36 11.742 2.308 -2.343 229 HA ILE 36 HA ILE 36 11.436 5.038 -1.742 230 HB ILE 36 HB ILE 36 13.865 3.661 -2.890 231 HG12 ILE 36 2HG1 ILE 36 13.240 4.222 0.014 232 HG13 ILE 36 1HG1 ILE 36 12.894 2.678 -0.760 233 HG21 ILE 36 1HG2 ILE 36 13.630 6.261 -2.834 234 HG22 ILE 36 2HG2 ILE 36 13.938 6.058 -1.110 235 HG23 ILE 36 3HG2 ILE 36 15.126 5.501 -2.290 236 HD11 ILE 36 3HD1 ILE 36 15.562 3.214 -1.358 237 HD12 ILE 36 1HD1 ILE 36 15.356 3.672 0.333 238 HD13 ILE 36 2HD1 ILE 36 14.936 2.043 -0.196 239 H GLY 37 H GLY 37 10.665 6.535 -3.044 240 HA2 GLY 37 1HA GLY 37 11.159 7.949 -4.960 241 HA3 GLY 37 2HA GLY 37 11.508 6.488 -5.873 242 H SER 38 H SER 38 8.942 5.582 -4.147 243 HA SER 38 HA SER 38 7.157 5.764 -6.345 244 HB2 SER 38 1HB SER 38 6.880 4.831 -3.497 245 HB3 SER 38 2HB SER 38 5.471 4.933 -4.553 246 HG SER 38 HG SER 38 7.298 3.712 -5.966 247 H GLN 39 H GLN 39 6.358 7.653 -6.979 248 HA GLN 39 HA GLN 39 5.808 9.781 -5.114 249 HB2 GLN 39 1HB GLN 39 5.414 9.525 -8.098 250 HB3 GLN 39 2HB GLN 39 4.970 10.964 -7.189 251 HG2 GLN 39 1HG GLN 39 7.504 10.665 -6.362 252 HG3 GLN 39 2HG GLN 39 7.623 9.960 -7.973 253 HE21 GLN 39 1HE2 GLN 39 7.127 12.840 -6.135 254 HE22 GLN 39 2HE2 GLN 39 7.194 13.950 -7.468 255 H CYS 40 H CYS 40 4.280 8.420 -3.889 256 HA CYS 40 HA CYS 40 1.844 7.521 -4.977 257 HB2 CYS 40 1HB CYS 40 2.815 8.056 -2.188 258 HB3 CYS 40 2HB CYS 40 1.133 7.619 -2.481 259 H GLY 41 H GLY 41 0.118 8.603 -5.599 260 HA2 GLY 41 1HA GLY 41 -0.401 11.243 -4.380 261 HA3 GLY 41 2HA GLY 41 -0.715 10.896 -6.077 262 H ALA 42 H ALA 42 -1.445 9.336 -2.970 263 HA ALA 42 HA ALA 42 -4.284 9.426 -3.569 264 HB1 ALA 42 1HB ALA 42 -2.745 6.853 -3.289 265 HB2 ALA 42 2HB ALA 42 -4.496 6.959 -3.106 266 HB3 ALA 42 3HB ALA 42 -3.742 7.379 -4.644 267 H SER 43 H SER 43 -3.999 6.996 -1.424 268 HA SER 43 HA SER 43 -4.542 8.773 0.791 269 HB2 SER 43 1HB SER 43 -4.477 5.750 0.828 270 HB3 SER 43 2HB SER 43 -5.321 6.824 1.945 271 HG SER 43 HG SER 43 -6.810 7.278 0.431 272 H VAL 44 H VAL 44 -1.965 6.728 -0.318 273 HA VAL 44 HA VAL 44 0.070 6.134 0.514 274 HB VAL 44 HB VAL 44 0.012 8.642 2.186 275 HG11 VAL 44 1HG1 VAL 44 1.936 6.733 1.804 276 HG12 VAL 44 2HG1 VAL 44 2.378 7.953 0.612 277 HG13 VAL 44 3HG1 VAL 44 2.238 8.395 2.314 278 HG21 VAL 44 3HG2 VAL 44 0.316 8.392 -0.798 279 HG22 VAL 44 1HG2 VAL 44 -0.801 9.418 0.103 280 HG23 VAL 44 2HG2 VAL 44 0.926 9.775 0.113 281 H LYS 45 H LYS 45 -0.672 4.330 1.683 282 HA LYS 45 HA LYS 45 -1.268 4.793 4.526 283 HB2 LYS 45 1HB LYS 45 -2.429 2.871 2.532 284 HB3 LYS 45 2HB LYS 45 -2.472 2.502 4.251 285 HG2 LYS 45 1HG LYS 45 -3.729 4.519 4.694 286 HG3 LYS 45 2HG LYS 45 -3.621 4.988 2.996 287 HD2 LYS 45 1HD LYS 45 -5.783 4.037 3.367 288 HD3 LYS 45 2HD LYS 45 -4.837 2.891 2.414 289 HE2 LYS 45 2HE LYS 45 -5.916 1.588 4.046 290 HE3 LYS 45 1HE LYS 45 -4.261 1.768 4.620 291 HZ1 LYS 45 3HZ LYS 45 -6.529 3.455 5.529 292 HZ2 LYS 45 1HZ LYS 45 -4.952 3.441 6.158 293 HZ3 LYS 45 2HZ LYS 45 -5.964 2.091 6.358 294 H CYS 46 H CYS 46 -0.867 2.820 5.897 295 HA CYS 46 HA CYS 46 1.560 1.407 5.008 296 HB2 CYS 46 1HB CYS 46 1.071 2.892 7.566 297 HB3 CYS 46 2HB CYS 46 2.157 1.509 7.555 298 H CYS 47 H CYS 47 1.073 -0.643 4.830 299 HA CYS 47 HA CYS 47 -0.829 -1.835 6.743 300 HB2 CYS 47 1HB CYS 47 -0.425 -2.570 3.837 301 HB3 CYS 47 2HB CYS 47 -1.565 -3.324 4.944 302 H LYS 48 H LYS 48 -0.504 -4.132 7.164 303 HA LYS 48 HA LYS 48 2.337 -4.859 6.997 304 HB2 LYS 48 1HB LYS 48 1.019 -4.829 9.213 305 HB3 LYS 48 2HB LYS 48 0.239 -6.290 8.620 306 HG2 LYS 48 1HG LYS 48 2.967 -6.729 8.260 307 HG3 LYS 48 2HG LYS 48 2.822 -5.952 9.839 308 HD2 LYS 48 1HD LYS 48 1.626 -7.680 10.734 309 HD3 LYS 48 2HD LYS 48 0.909 -8.126 9.184 310 HE2 LYS 48 2HE LYS 48 2.355 -9.877 9.522 311 HE3 LYS 48 1HE LYS 48 3.363 -8.784 8.575 312 HZ1 LYS 48 3HZ LYS 48 4.246 -7.935 10.728 313 HZ2 LYS 48 1HZ LYS 48 4.636 -9.551 10.399 314 HZ3 LYS 48 2HZ LYS 48 3.411 -9.189 11.510 315 H ASP 49 H ASP 49 -0.848 -6.370 6.769 316 HA ASP 49 HA ASP 49 -1.628 -8.194 5.700 317 HB2 ASP 49 1HB ASP 49 -1.026 -6.590 3.764 318 HB3 ASP 49 2HB ASP 49 0.353 -7.651 3.491 319 H ASP 50 H ASP 50 0.027 -9.815 3.783 320 HA ASP 50 HA ASP 50 1.972 -10.983 5.666 321 HB2 ASP 50 1HB ASP 50 -0.022 -12.442 5.399 322 HB3 ASP 50 2HB ASP 50 0.282 -12.503 3.665 323 H VAL 51 H VAL 51 1.128 -10.041 2.440 324 HA VAL 51 HA VAL 51 2.290 -9.763 0.515 325 HB VAL 51 HB VAL 51 4.870 -9.803 2.064 326 HG11 VAL 51 1HG1 VAL 51 5.459 -9.389 -0.093 327 HG12 VAL 51 2HG1 VAL 51 3.888 -8.701 -0.505 328 HG13 VAL 51 3HG1 VAL 51 5.066 -7.737 0.387 329 HG21 VAL 51 3HG2 VAL 51 3.160 -7.347 1.843 330 HG22 VAL 51 1HG2 VAL 51 3.040 -8.434 3.226 331 HG23 VAL 51 2HG2 VAL 51 4.566 -7.627 2.869 332 H THR 52 H THR 52 1.527 -12.203 0.642 333 HA THR 52 HA THR 52 3.710 -14.103 0.604 334 HB THR 52 HB THR 52 1.093 -14.977 -0.417 335 HG1 THR 52 1HG THR 52 1.275 -14.273 2.341 336 HG21 THR 52 3HG2 THR 52 3.208 -15.902 1.456 337 HG22 THR 52 1HG2 THR 52 2.399 -16.764 0.147 338 HG23 THR 52 2HG2 THR 52 1.575 -16.527 1.687 339 H ASN 53 H ASN 53 3.919 -12.043 -1.345 340 HA ASN 53 HA ASN 53 3.970 -13.690 -3.759 341 HB2 ASN 53 1HB ASN 53 3.164 -11.828 -5.148 342 HB3 ASN 53 2HB ASN 53 1.950 -12.313 -3.972 343 HD21 ASN 53 1HD2 ASN 53 1.296 -10.887 -2.429 344 HD22 ASN 53 2HD2 ASN 53 1.798 -9.234 -2.390 345 H THR 54 H THR 54 5.448 -12.774 -5.414 346 HA THR 54 HA THR 54 7.864 -11.878 -4.104 347 HB THR 54 HB THR 54 7.842 -12.160 -7.044 348 HG1 THR 54 1HG THR 54 7.312 -14.356 -5.290 349 HG21 THR 54 3HG2 THR 54 9.741 -13.792 -6.285 350 HG22 THR 54 1HG2 THR 54 9.558 -12.975 -4.733 351 HG23 THR 54 2HG2 THR 54 9.981 -12.047 -6.173 352 H GLY 55 H GLY 55 6.236 -9.817 -3.825 353 HA2 GLY 55 1HA GLY 55 6.112 -7.551 -4.142 354 HA3 GLY 55 2HA GLY 55 7.610 -7.694 -5.054 355 H ASN 56 H ASN 56 4.118 -8.273 -5.365 356 HA ASN 56 HA ASN 56 4.243 -8.112 -8.234 357 HB2 ASN 56 1HB ASN 56 2.549 -9.421 -6.711 358 HB3 ASN 56 2HB ASN 56 1.677 -7.891 -6.698 359 HD21 ASN 56 1HD2 ASN 56 2.355 -10.728 -8.423 360 HD22 ASN 56 2HD2 ASN 56 1.514 -10.324 -9.886 361 H SER 57 H SER 57 2.820 -6.576 -9.438 362 HA SER 57 HA SER 57 3.627 -3.917 -8.729 363 HB2 SER 57 1HB SER 57 1.834 -3.971 -10.962 364 HB3 SER 57 2HB SER 57 3.579 -3.702 -10.960 365 HG SER 57 HG SER 57 2.438 -5.699 -12.044 366 H PHE 58 H PHE 58 0.897 -5.822 -8.155 367 HA PHE 58 HA PHE 58 -0.391 -3.523 -6.932 368 HB2 PHE 58 1HB PHE 58 -1.348 -4.397 -9.346 369 HB3 PHE 58 2HB PHE 58 -2.333 -5.318 -8.211 370 HD1 PHE 58 1HD PHE 58 -1.038 -1.829 -8.530 371 HD2 PHE 58 2HD PHE 58 -4.345 -4.368 -7.662 372 HE1 PHE 58 1HE PHE 58 -2.461 0.147 -8.179 373 HE2 PHE 58 2HE PHE 58 -5.772 -2.395 -7.310 374 HZ PHE 58 HZ PHE 58 -4.830 -0.132 -7.567 375 H LEU 59 H LEU 59 -1.216 -3.982 -5.007 376 HA LEU 59 HA LEU 59 -1.409 -6.806 -4.216 377 HB2 LEU 59 1HB LEU 59 0.396 -4.761 -3.221 378 HB3 LEU 59 2HB LEU 59 -0.615 -5.399 -1.939 379 HG LEU 59 HG LEU 59 0.202 -7.702 -3.129 380 HD11 LEU 59 1HD1 LEU 59 1.675 -6.246 -4.609 381 HD12 LEU 59 2HD1 LEU 59 2.635 -5.941 -3.161 382 HD13 LEU 59 3HD1 LEU 59 2.456 -7.588 -3.772 383 HD21 LEU 59 3HD2 LEU 59 0.219 -7.022 -0.718 384 HD22 LEU 59 1HD2 LEU 59 1.601 -7.990 -1.228 385 HD23 LEU 59 2HD2 LEU 59 1.775 -6.249 -1.014 386 H ILE 60 H ILE 60 -3.534 -7.049 -3.895 387 HA ILE 60 HA ILE 60 -5.108 -4.956 -2.670 388 HB ILE 60 HB ILE 60 -5.820 -7.760 -3.557 389 HG12 ILE 60 2HG1 ILE 60 -7.379 -5.813 -4.846 390 HG13 ILE 60 1HG1 ILE 60 -5.745 -5.157 -4.819 391 HG21 ILE 60 1HG2 ILE 60 -8.044 -7.443 -2.907 392 HG22 ILE 60 2HG2 ILE 60 -7.110 -6.869 -1.524 393 HG23 ILE 60 3HG2 ILE 60 -7.820 -5.712 -2.653 394 HD11 ILE 60 3HD1 ILE 60 -4.894 -6.936 -6.068 395 HD12 ILE 60 1HD1 ILE 60 -6.308 -7.945 -5.761 396 HD13 ILE 60 2HD1 ILE 60 -6.437 -6.550 -6.833 397 H ILE 61 H ILE 61 -4.447 -4.634 -0.647 398 HA ILE 61 HA ILE 61 -3.784 -6.849 1.101 399 HB ILE 61 HB ILE 61 -3.758 -3.866 1.613 400 HG12 ILE 61 2HG1 ILE 61 -1.252 -5.430 1.382 401 HG13 ILE 61 1HG1 ILE 61 -2.146 -5.164 -0.110 402 HG21 ILE 61 1HG2 ILE 61 -2.202 -5.840 3.218 403 HG22 ILE 61 2HG2 ILE 61 -2.756 -4.223 3.653 404 HG23 ILE 61 3HG2 ILE 61 -3.904 -5.561 3.590 405 HD11 ILE 61 3HD1 ILE 61 -0.310 -3.489 0.622 406 HD12 ILE 61 1HD1 ILE 61 -1.827 -2.888 -0.052 407 HD13 ILE 61 2HD1 ILE 61 -1.563 -2.864 1.692 408 H ASN 62 H ASN 62 -4.847 -7.361 3.003 409 HA ASN 62 HA ASN 62 -7.650 -6.890 3.086 410 HB2 ASN 62 1HB ASN 62 -6.507 -8.932 4.002 411 HB3 ASN 62 2HB ASN 62 -5.901 -7.935 5.321 412 HD21 ASN 62 1HD2 ASN 62 -7.082 -9.526 6.626 413 HD22 ASN 62 2HD2 ASN 62 -8.775 -9.266 6.910 414 H ALA 63 H ALA 63 -8.770 -5.330 4.074 415 HA ALA 63 HA ALA 63 -7.580 -2.989 5.023 416 HB1 ALA 63 1HB ALA 63 -10.378 -4.003 5.505 417 HB2 ALA 63 2HB ALA 63 -9.830 -2.341 5.728 418 HB3 ALA 63 3HB ALA 63 -9.838 -3.057 4.117 419 H ALA 64 H ALA 64 -8.522 -5.913 6.684 420 HA ALA 64 HA ALA 64 -8.292 -4.788 9.319 421 HB1 ALA 64 1HB ALA 64 -8.101 -7.487 9.687 422 HB2 ALA 64 2HB ALA 64 -9.610 -6.578 9.608 423 HB3 ALA 64 3HB ALA 64 -8.988 -7.385 8.168 424 H ASN 65 H ASN 65 -6.046 -5.488 7.020 425 HA ASN 65 HA ASN 65 -3.969 -6.079 9.025 426 HB2 ASN 65 1HB ASN 65 -4.485 -7.260 6.518 427 HB3 ASN 65 2HB ASN 65 -3.028 -6.292 6.307 428 HD21 ASN 65 1HD2 ASN 65 -3.592 -9.259 6.497 429 HD22 ASN 65 2HD2 ASN 65 -2.459 -9.816 7.680 430 H CYS 66 H CYS 66 -5.377 -3.638 7.474 431 HA CYS 66 HA CYS 66 -2.939 -1.995 7.318 432 HB2 CYS 66 1HB CYS 66 -5.714 -1.535 6.198 433 HB3 CYS 66 2HB CYS 66 -4.408 -0.359 6.120 434 H VAL 67 H VAL 67 -2.596 -0.512 8.897 435 HA VAL 67 HA VAL 67 -4.819 0.019 10.751 436 HB VAL 67 HB VAL 67 -2.952 0.914 12.269 437 HG11 VAL 67 1HG1 VAL 67 -3.898 -1.750 11.757 438 HG12 VAL 67 2HG1 VAL 67 -2.247 -1.795 12.376 439 HG13 VAL 67 3HG1 VAL 67 -3.513 -0.975 13.292 440 HG21 VAL 67 3HG2 VAL 67 -1.396 0.279 9.998 441 HG22 VAL 67 1HG2 VAL 67 -0.848 0.887 11.561 442 HG23 VAL 67 2HG2 VAL 67 -0.943 -0.851 11.275 443 H ALA 68 H ALA 68 -2.181 1.636 9.017 444 HA ALA 68 HA ALA 68 -3.531 4.204 9.469 445 HB1 ALA 68 1HB ALA 68 -0.685 3.508 8.788 446 HB2 ALA 68 2HB ALA 68 -1.323 5.143 8.622 447 HB3 ALA 68 3HB ALA 68 -1.293 4.364 10.204 Start of MODEL 3 1 H1 SER 1 1H SER 1 2.771 16.205 -9.976 2 H2 SER 1 2H SER 1 3.783 15.353 -8.917 3 H3 SER 1 3H SER 1 2.211 15.771 -8.435 4 HA SER 1 HA SER 1 1.568 14.414 -10.552 5 HB2 SER 1 1HB SER 1 3.528 12.437 -9.959 6 HB3 SER 1 2HB SER 1 3.277 13.297 -11.478 7 HG SER 1 HG SER 1 5.233 13.990 -11.025 8 H ALA 2 H ALA 2 3.210 12.158 -8.545 9 HA ALA 2 HA ALA 2 0.701 11.703 -7.071 10 HB1 ALA 2 1HB ALA 2 2.690 9.890 -8.289 11 HB2 ALA 2 2HB ALA 2 2.000 9.383 -6.747 12 HB3 ALA 2 3HB ALA 2 0.943 9.712 -8.119 13 H THR 3 H THR 3 1.485 10.130 -5.024 14 HA THR 3 HA THR 3 2.817 12.000 -3.307 15 HB THR 3 HB THR 3 2.576 9.563 -1.956 16 HG1 THR 3 1HG THR 3 0.191 9.276 -2.496 17 HG21 THR 3 3HG2 THR 3 2.044 11.482 -0.772 18 HG22 THR 3 1HG2 THR 3 0.451 10.779 -1.057 19 HG23 THR 3 2HG2 THR 3 1.017 12.115 -2.059 20 H THR 4 H THR 4 4.898 12.100 -2.943 21 HA THR 4 HA THR 4 6.598 9.906 -3.909 22 HB THR 4 HB THR 4 7.772 12.532 -3.151 23 HG1 THR 4 1HG THR 4 5.654 12.446 -4.707 24 HG21 THR 4 3HG2 THR 4 8.337 10.272 -4.955 25 HG22 THR 4 1HG2 THR 4 9.446 11.327 -4.078 26 HG23 THR 4 2HG2 THR 4 8.735 11.864 -5.598 27 H ILE 5 H ILE 5 7.092 8.533 -2.330 28 HA ILE 5 HA ILE 5 7.513 9.566 0.370 29 HB ILE 5 HB ILE 5 6.891 7.569 1.208 30 HG12 ILE 5 2HG1 ILE 5 7.447 5.513 -0.659 31 HG13 ILE 5 1HG1 ILE 5 8.869 6.550 -0.606 32 HG21 ILE 5 1HG2 ILE 5 4.981 7.071 0.208 33 HG22 ILE 5 2HG2 ILE 5 5.480 8.143 -1.099 34 HG23 ILE 5 3HG2 ILE 5 5.802 6.412 -1.207 35 HD11 ILE 5 3HD1 ILE 5 7.939 6.054 2.050 36 HD12 ILE 5 1HD1 ILE 5 8.142 4.531 1.184 37 HD13 ILE 5 2HD1 ILE 5 9.491 5.660 1.311 38 H GLY 6 H GLY 6 9.440 9.437 1.430 39 HA2 GLY 6 1HA GLY 6 11.749 8.933 -0.315 40 HA3 GLY 6 2HA GLY 6 11.748 9.977 1.098 41 HA PRO 7 HA PRO 7 13.640 6.335 2.870 42 HB2 PRO 7 1HB PRO 7 14.585 7.510 5.103 43 HB3 PRO 7 2HB PRO 7 15.334 7.758 3.523 44 HG2 PRO 7 1HG PRO 7 13.488 9.541 5.043 45 HG3 PRO 7 2HG PRO 7 14.911 9.962 4.072 46 HD2 PRO 7 1HD PRO 7 12.308 10.177 3.203 47 HD3 PRO 7 2HD PRO 7 13.713 10.008 2.136 48 H ASN 8 H ASN 8 11.239 5.784 3.012 49 HA ASN 8 HA ASN 8 9.674 4.642 4.177 50 HB2 ASN 8 1HB ASN 8 11.639 3.715 5.423 51 HB3 ASN 8 2HB ASN 8 11.421 4.990 6.620 52 HD21 ASN 8 1HD2 ASN 8 11.128 3.301 8.175 53 HD22 ASN 8 2HD2 ASN 8 9.593 2.505 8.307 54 H THR 9 H THR 9 7.994 6.016 4.044 55 HA THR 9 HA THR 9 7.680 8.176 5.954 56 HB THR 9 HB THR 9 5.517 7.312 4.073 57 HG1 THR 9 1HG THR 9 7.852 8.786 3.326 58 HG21 THR 9 3HG2 THR 9 5.145 9.720 3.898 59 HG22 THR 9 1HG2 THR 9 6.565 10.027 4.899 60 HG23 THR 9 2HG2 THR 9 5.155 9.224 5.591 61 H CYS 10 H CYS 10 7.554 5.109 6.465 62 HA CYS 10 HA CYS 10 5.316 5.325 8.344 63 HB2 CYS 10 1HB CYS 10 5.903 3.066 6.439 64 HB3 CYS 10 2HB CYS 10 5.028 2.784 7.942 65 H SER 11 H SER 11 7.602 6.023 9.279 66 HA SER 11 HA SER 11 9.328 3.867 10.060 67 HB2 SER 11 1HB SER 11 9.627 6.408 11.488 68 HB3 SER 11 2HB SER 11 10.800 5.515 10.519 69 HG SER 11 HG SER 11 9.909 6.415 8.659 70 H ILE 12 H ILE 12 7.238 2.855 10.988 71 HA ILE 12 HA ILE 12 6.910 3.611 13.813 72 HB ILE 12 HB ILE 12 5.263 1.612 12.256 73 HG12 ILE 12 2HG1 ILE 12 4.118 4.267 12.887 74 HG13 ILE 12 1HG1 ILE 12 5.330 4.236 11.609 75 HG21 ILE 12 1HG2 ILE 12 4.276 1.196 14.195 76 HG22 ILE 12 2HG2 ILE 12 5.393 2.299 14.998 77 HG23 ILE 12 3HG2 ILE 12 3.857 2.899 14.369 78 HD11 ILE 12 3HD1 ILE 12 3.406 3.928 10.418 79 HD12 ILE 12 1HD1 ILE 12 3.889 2.256 10.704 80 HD13 ILE 12 2HD1 ILE 12 2.629 2.993 11.695 81 H ASP 13 H ASP 13 7.171 0.753 11.757 82 HA ASP 13 HA ASP 13 9.157 -0.545 13.297 83 HB2 ASP 13 1HB ASP 13 7.016 -0.738 14.733 84 HB3 ASP 13 2HB ASP 13 6.440 -1.844 13.492 85 H ASP 14 H ASP 14 7.622 -3.181 12.522 86 HA ASP 14 HA ASP 14 8.669 -3.273 9.828 87 HB2 ASP 14 1HB ASP 14 8.888 -5.204 11.400 88 HB3 ASP 14 2HB ASP 14 7.141 -5.424 11.312 89 H TYR 15 H TYR 15 6.927 -1.416 9.614 90 HA TYR 15 HA TYR 15 4.682 -2.657 8.187 91 HB2 TYR 15 1HB TYR 15 4.668 -0.430 10.158 92 HB3 TYR 15 2HB TYR 15 3.627 -0.251 8.746 93 HD1 TYR 15 1HD TYR 15 2.197 -2.406 8.189 94 HD2 TYR 15 2HD TYR 15 3.784 -1.479 12.019 95 HE1 TYR 15 1HE TYR 15 0.524 -3.873 9.226 96 HE2 TYR 15 2HE TYR 15 2.114 -2.944 13.073 97 HH TYR 15 HH TYR 15 0.257 -4.175 12.741 98 H LYS 16 H LYS 16 4.595 -2.127 6.101 99 HA LYS 16 HA LYS 16 6.683 -0.329 5.140 100 HB2 LYS 16 1HB LYS 16 4.959 -2.327 3.654 101 HB3 LYS 16 2HB LYS 16 6.271 -1.391 2.947 102 HG2 LYS 16 1HG LYS 16 6.490 -3.521 5.064 103 HG3 LYS 16 2HG LYS 16 7.049 -3.608 3.394 104 HD2 LYS 16 1HD LYS 16 8.703 -1.901 3.810 105 HD3 LYS 16 2HD LYS 16 8.082 -1.647 5.442 106 HE2 LYS 16 2HE LYS 16 8.640 -4.397 5.197 107 HE3 LYS 16 1HE LYS 16 10.020 -3.541 4.517 108 HZ1 LYS 16 3HZ LYS 16 10.708 -3.103 6.558 109 HZ2 LYS 16 1HZ LYS 16 9.375 -3.921 7.213 110 HZ3 LYS 16 2HZ LYS 16 9.277 -2.260 6.895 111 HA PRO 17 HA PRO 17 3.765 2.729 3.854 112 HB2 PRO 17 1HB PRO 17 5.505 3.619 1.724 113 HB3 PRO 17 2HB PRO 17 5.226 4.361 3.301 114 HG2 PRO 17 1HG PRO 17 7.592 3.205 2.553 115 HG3 PRO 17 2HG PRO 17 7.050 3.360 4.233 116 HD2 PRO 17 1HD PRO 17 6.926 0.982 2.411 117 HD3 PRO 17 2HD PRO 17 7.329 1.058 4.141 118 H TYR 18 H TYR 18 2.072 1.668 2.948 119 HA TYR 18 HA TYR 18 2.217 0.948 0.112 120 HB2 TYR 18 1HB TYR 18 0.207 0.390 2.293 121 HB3 TYR 18 2HB TYR 18 -0.172 0.121 0.597 122 HD1 TYR 18 1HD TYR 18 2.359 -0.805 3.185 123 HD2 TYR 18 2HD TYR 18 0.270 -1.956 -0.336 124 HE1 TYR 18 1HE TYR 18 3.335 -3.056 3.347 125 HE2 TYR 18 2HE TYR 18 1.244 -4.212 -0.184 126 HH TYR 18 HH TYR 18 2.290 -5.601 2.179 127 H CYS 19 H CYS 19 0.113 1.586 -1.106 128 HA CYS 19 HA CYS 19 -0.893 4.186 -0.201 129 HB2 CYS 19 1HB CYS 19 0.873 3.892 -2.321 130 HB3 CYS 19 2HB CYS 19 -0.702 4.011 -3.097 131 H CYS 20 H CYS 20 -2.857 3.412 0.390 132 HA CYS 20 HA CYS 20 -4.255 1.548 -1.325 133 HB2 CYS 20 1HB CYS 20 -4.613 2.560 1.451 134 HB3 CYS 20 2HB CYS 20 -6.053 2.002 0.599 135 H GLN 21 H GLN 21 -5.397 2.204 -2.950 136 HA GLN 21 HA GLN 21 -6.570 4.876 -2.954 137 HB2 GLN 21 1HB GLN 21 -7.193 3.236 -5.268 138 HB3 GLN 21 2HB GLN 21 -6.375 4.789 -5.190 139 HG2 GLN 21 1HG GLN 21 -4.686 2.615 -4.275 140 HG3 GLN 21 2HG GLN 21 -5.260 2.376 -5.925 141 HE21 GLN 21 1HE2 GLN 21 -2.789 3.576 -4.186 142 HE22 GLN 21 2HE2 GLN 21 -2.201 4.774 -5.290 143 H SER 22 H SER 22 -8.652 5.222 -2.522 144 HA SER 22 HA SER 22 -10.330 3.022 -1.767 145 HB2 SER 22 1HB SER 22 -11.877 5.364 -1.894 146 HB3 SER 22 2HB SER 22 -11.117 4.675 -0.459 147 HG SER 22 HG SER 22 -9.476 6.063 -0.614 148 H MET 23 H MET 23 -11.402 1.852 -3.210 149 HA MET 23 HA MET 23 -11.583 2.766 -5.922 150 HB2 MET 23 1HB MET 23 -12.389 0.209 -4.549 151 HB3 MET 23 2HB MET 23 -12.722 0.506 -6.249 152 HG2 MET 23 1HG MET 23 -10.062 0.228 -4.894 153 HG3 MET 23 2HG MET 23 -10.746 -0.753 -6.187 154 HE1 MET 23 3HE MET 23 -8.147 -0.345 -6.720 155 HE2 MET 23 1HE MET 23 -7.613 0.972 -7.765 156 HE3 MET 23 2HE MET 23 -7.689 1.208 -6.020 157 H SER 24 H SER 24 -13.147 3.940 -6.693 158 HA SER 24 HA SER 24 -15.647 4.196 -5.235 159 HB2 SER 24 1HB SER 24 -15.076 5.647 -7.791 160 HB3 SER 24 2HB SER 24 -15.945 6.201 -6.359 161 HG SER 24 HG SER 24 -13.399 5.619 -5.717 162 H GLY 25 H GLY 25 -16.043 1.898 -5.779 163 HA2 GLY 25 1HA GLY 25 -18.125 1.462 -7.453 164 HA3 GLY 25 2HA GLY 25 -16.726 1.230 -8.497 165 H SER 26 H SER 26 -14.924 -0.063 -7.162 166 HA SER 26 HA SER 26 -16.152 -2.583 -6.417 167 HB2 SER 26 1HB SER 26 -13.326 -2.652 -6.091 168 HB3 SER 26 2HB SER 26 -14.291 -3.399 -7.366 169 HG SER 26 HG SER 26 -12.756 -1.985 -8.247 170 H ALA 27 H ALA 27 -16.393 -3.276 -4.364 171 HA ALA 27 HA ALA 27 -15.674 -1.472 -2.214 172 HB1 ALA 27 1HB ALA 27 -17.658 -3.456 -2.635 173 HB2 ALA 27 2HB ALA 27 -16.733 -3.910 -1.203 174 HB3 ALA 27 3HB ALA 27 -17.503 -2.326 -1.291 175 H SER 28 H SER 28 -13.319 -2.067 -3.087 176 HA SER 28 HA SER 28 -12.212 -3.892 -1.090 177 HB2 SER 28 1HB SER 28 -11.155 -4.032 -3.899 178 HB3 SER 28 2HB SER 28 -10.970 -5.195 -2.587 179 HG SER 28 HG SER 28 -13.520 -5.065 -2.947 180 H LEU 29 H LEU 29 -9.938 -3.520 -0.666 181 HA LEU 29 HA LEU 29 -9.179 -0.754 -1.280 182 HB2 LEU 29 1HB LEU 29 -8.217 -2.610 0.900 183 HB3 LEU 29 2HB LEU 29 -7.672 -0.959 0.670 184 HG LEU 29 HG LEU 29 -10.589 -1.477 1.064 185 HD11 LEU 29 1HD1 LEU 29 -8.923 -0.971 3.464 186 HD12 LEU 29 2HD1 LEU 29 -10.469 -1.804 3.308 187 HD13 LEU 29 3HD1 LEU 29 -8.979 -2.617 2.834 188 HD21 LEU 29 3HD2 LEU 29 -10.326 0.748 0.682 189 HD22 LEU 29 1HD2 LEU 29 -10.054 0.737 2.424 190 HD23 LEU 29 2HD2 LEU 29 -8.681 0.781 1.317 191 H GLY 30 H GLY 30 -7.659 -0.448 -2.753 192 HA2 GLY 30 1HA GLY 30 -5.795 -2.661 -3.320 193 HA3 GLY 30 2HA GLY 30 -6.254 -1.417 -4.476 194 H CYS 31 H CYS 31 -3.798 -2.421 -2.557 195 HA CYS 31 HA CYS 31 -2.907 0.319 -1.970 196 HB2 CYS 31 1HB CYS 31 -3.086 -1.991 -0.307 197 HB3 CYS 31 2HB CYS 31 -1.385 -1.584 -0.501 198 H VAL 32 H VAL 32 -1.531 0.963 -3.441 199 HA VAL 32 HA VAL 32 0.306 -0.879 -4.731 200 HB VAL 32 HB VAL 32 0.410 2.094 -5.110 201 HG11 VAL 32 1HG1 VAL 32 1.873 0.195 -6.204 202 HG12 VAL 32 2HG1 VAL 32 0.491 0.080 -7.294 203 HG13 VAL 32 3HG1 VAL 32 1.361 1.608 -7.128 204 HG21 VAL 32 3HG2 VAL 32 -1.818 2.082 -5.495 205 HG22 VAL 32 1HG2 VAL 32 -1.337 1.392 -7.045 206 HG23 VAL 32 2HG2 VAL 32 -1.876 0.336 -5.737 207 H VAL 33 H VAL 33 2.375 -1.171 -4.121 208 HA VAL 33 HA VAL 33 3.161 -0.114 -1.586 209 HB VAL 33 HB VAL 33 5.036 -1.593 -3.404 210 HG11 VAL 33 1HG1 VAL 33 6.207 -2.063 -1.536 211 HG12 VAL 33 2HG1 VAL 33 5.393 -0.620 -0.928 212 HG13 VAL 33 3HG1 VAL 33 4.763 -2.220 -0.535 213 HG21 VAL 33 3HG2 VAL 33 3.495 -3.327 -1.663 214 HG22 VAL 33 1HG2 VAL 33 2.484 -2.521 -2.861 215 HG23 VAL 33 2HG2 VAL 33 3.864 -3.487 -3.382 216 H GLY 34 H GLY 34 4.599 1.446 -1.077 217 HA2 GLY 34 1HA GLY 34 6.000 2.771 -3.315 218 HA3 GLY 34 2HA GLY 34 5.252 3.673 -2.000 219 H VAL 35 H VAL 35 8.060 2.136 -3.097 220 HA VAL 35 HA VAL 35 9.223 1.902 -0.438 221 HB VAL 35 HB VAL 35 11.224 1.465 -2.382 222 HG11 VAL 35 1HG1 VAL 35 11.508 -0.487 -1.250 223 HG12 VAL 35 2HG1 VAL 35 10.495 0.363 -0.082 224 HG13 VAL 35 3HG1 VAL 35 9.777 -0.822 -1.171 225 HG21 VAL 35 3HG2 VAL 35 8.995 -0.376 -3.062 226 HG22 VAL 35 1HG2 VAL 35 9.000 1.222 -3.806 227 HG23 VAL 35 2HG2 VAL 35 10.373 0.140 -4.035 228 H ILE 36 H ILE 36 11.805 2.606 -0.765 229 HA ILE 36 HA ILE 36 11.687 5.376 -0.346 230 HB ILE 36 HB ILE 36 14.114 3.658 -0.882 231 HG12 ILE 36 2HG1 ILE 36 12.815 4.545 1.705 232 HG13 ILE 36 1HG1 ILE 36 12.803 2.910 1.052 233 HG21 ILE 36 1HG2 ILE 36 15.324 5.515 -0.819 234 HG22 ILE 36 2HG2 ILE 36 13.859 6.481 -0.640 235 HG23 ILE 36 3HG2 ILE 36 14.694 5.871 0.790 236 HD11 ILE 36 3HD1 ILE 36 15.449 4.148 1.480 237 HD12 ILE 36 1HD1 ILE 36 14.518 3.730 2.917 238 HD13 ILE 36 2HD1 ILE 36 14.914 2.486 1.730 239 H GLY 37 H GLY 37 11.320 6.860 -1.829 240 HA2 GLY 37 1HA GLY 37 11.964 8.237 -3.610 241 HA3 GLY 37 2HA GLY 37 13.010 6.952 -4.198 242 H SER 38 H SER 38 9.694 6.316 -3.358 243 HA SER 38 HA SER 38 9.124 5.968 -6.226 244 HB2 SER 38 1HB SER 38 8.022 4.431 -3.862 245 HB3 SER 38 2HB SER 38 7.550 4.185 -5.545 246 HG SER 38 HG SER 38 9.143 2.803 -5.517 247 H GLN 39 H GLN 39 6.899 6.237 -6.886 248 HA GLN 39 HA GLN 39 5.440 8.178 -5.218 249 HB2 GLN 39 1HB GLN 39 6.112 8.159 -8.090 250 HB3 GLN 39 2HB GLN 39 4.437 8.557 -7.729 251 HG2 GLN 39 1HG GLN 39 4.963 10.541 -6.800 252 HG3 GLN 39 2HG GLN 39 6.470 9.941 -6.111 253 HE21 GLN 39 1HE2 GLN 39 6.924 12.245 -7.003 254 HE22 GLN 39 2HE2 GLN 39 7.597 12.290 -8.599 255 H CYS 40 H CYS 40 3.874 7.047 -4.249 256 HA CYS 40 HA CYS 40 2.979 4.573 -5.368 257 HB2 CYS 40 1HB CYS 40 1.675 4.347 -3.313 258 HB3 CYS 40 2HB CYS 40 3.344 4.787 -2.973 259 H GLY 41 H GLY 41 1.371 7.694 -4.702 260 HA2 GLY 41 1HA GLY 41 0.099 8.271 -6.871 261 HA3 GLY 41 2HA GLY 41 -0.778 6.796 -6.510 262 H ALA 42 H ALA 42 -1.242 7.005 -3.812 263 HA ALA 42 HA ALA 42 -2.878 9.446 -3.671 264 HB1 ALA 42 1HB ALA 42 -4.160 7.429 -4.496 265 HB2 ALA 42 2HB ALA 42 -3.929 6.738 -2.890 266 HB3 ALA 42 3HB ALA 42 -4.828 8.244 -3.082 267 H SER 43 H SER 43 -3.950 7.564 -1.268 268 HA SER 43 HA SER 43 -2.515 9.055 0.719 269 HB2 SER 43 1HB SER 43 -4.243 6.926 1.712 270 HB3 SER 43 2HB SER 43 -4.355 8.670 1.955 271 HG SER 43 HG SER 43 -5.606 8.871 0.218 272 H VAL 44 H VAL 44 -0.788 8.427 1.817 273 HA VAL 44 HA VAL 44 0.362 5.824 1.372 274 HB VAL 44 HB VAL 44 1.273 7.980 3.291 275 HG11 VAL 44 1HG1 VAL 44 2.138 5.633 3.624 276 HG12 VAL 44 2HG1 VAL 44 2.903 5.776 2.042 277 HG13 VAL 44 3HG1 VAL 44 3.368 6.866 3.351 278 HG21 VAL 44 3HG2 VAL 44 2.932 8.489 1.463 279 HG22 VAL 44 1HG2 VAL 44 1.938 7.500 0.393 280 HG23 VAL 44 2HG2 VAL 44 1.265 8.957 1.127 281 H LYS 45 H LYS 45 0.032 4.086 2.557 282 HA LYS 45 HA LYS 45 -1.199 4.392 5.212 283 HB2 LYS 45 1HB LYS 45 -2.297 3.190 2.857 284 HB3 LYS 45 2HB LYS 45 -2.030 1.934 4.058 285 HG2 LYS 45 1HG LYS 45 -4.068 2.545 4.761 286 HG3 LYS 45 2HG LYS 45 -3.173 3.813 5.600 287 HD2 LYS 45 1HD LYS 45 -3.557 5.308 3.666 288 HD3 LYS 45 2HD LYS 45 -4.537 4.043 2.918 289 HE2 LYS 45 2HE LYS 45 -6.002 5.606 4.002 290 HE3 LYS 45 1HE LYS 45 -6.021 4.096 4.912 291 HZ1 LYS 45 3HZ LYS 45 -5.873 5.858 6.463 292 HZ2 LYS 45 1HZ LYS 45 -4.607 6.609 5.616 293 HZ3 LYS 45 2HZ LYS 45 -4.337 5.137 6.416 294 H CYS 46 H CYS 46 -0.220 3.296 6.796 295 HA CYS 46 HA CYS 46 2.083 1.669 6.121 296 HB2 CYS 46 1HB CYS 46 1.055 2.396 8.865 297 HB3 CYS 46 2HB CYS 46 2.668 1.821 8.445 298 H CYS 47 H CYS 47 1.485 -0.296 5.445 299 HA CYS 47 HA CYS 47 0.004 -1.971 7.339 300 HB2 CYS 47 1HB CYS 47 -0.627 -2.601 4.560 301 HB3 CYS 47 2HB CYS 47 -1.702 -2.418 5.940 302 H LYS 48 H LYS 48 0.021 -4.338 6.224 303 HA LYS 48 HA LYS 48 2.624 -4.816 4.974 304 HB2 LYS 48 1HB LYS 48 2.761 -5.165 7.492 305 HB3 LYS 48 2HB LYS 48 1.630 -6.494 7.277 306 HG2 LYS 48 1HG LYS 48 3.180 -7.854 6.377 307 HG3 LYS 48 2HG LYS 48 4.023 -6.538 5.557 308 HD2 LYS 48 1HD LYS 48 5.477 -7.390 7.256 309 HD3 LYS 48 2HD LYS 48 4.892 -5.810 7.786 310 HE2 LYS 48 2HE LYS 48 3.208 -6.907 9.185 311 HE3 LYS 48 1HE LYS 48 3.796 -8.482 8.655 312 HZ1 LYS 48 3HZ LYS 48 6.039 -7.243 9.573 313 HZ2 LYS 48 1HZ LYS 48 5.116 -8.380 10.429 314 HZ3 LYS 48 2HZ LYS 48 4.848 -6.723 10.663 315 H ASP 49 H ASP 49 -0.307 -6.351 6.199 316 HA ASP 49 HA ASP 49 -1.785 -7.807 5.341 317 HB2 ASP 49 1HB ASP 49 -1.636 -6.025 3.424 318 HB3 ASP 49 2HB ASP 49 -0.813 -7.313 2.548 319 H ASP 50 H ASP 50 -1.491 -9.433 2.958 320 HA ASP 50 HA ASP 50 0.599 -11.252 3.960 321 HB2 ASP 50 1HB ASP 50 -1.764 -12.043 4.213 322 HB3 ASP 50 2HB ASP 50 -1.918 -12.007 2.460 323 H VAL 51 H VAL 51 2.266 -10.615 2.674 324 HA VAL 51 HA VAL 51 1.923 -10.402 -0.195 325 HB VAL 51 HB VAL 51 4.608 -10.446 1.146 326 HG11 VAL 51 1HG1 VAL 51 3.424 -9.349 -1.356 327 HG12 VAL 51 2HG1 VAL 51 4.798 -8.511 -0.633 328 HG13 VAL 51 3HG1 VAL 51 4.946 -10.204 -1.106 329 HG21 VAL 51 3HG2 VAL 51 4.187 -8.663 2.402 330 HG22 VAL 51 1HG2 VAL 51 3.690 -7.762 0.969 331 HG23 VAL 51 2HG2 VAL 51 2.501 -8.690 1.886 332 H THR 52 H THR 52 1.101 -12.706 -0.176 333 HA THR 52 HA THR 52 3.057 -14.798 0.091 334 HB THR 52 HB THR 52 0.887 -15.764 -1.408 335 HG1 THR 52 1HG THR 52 -0.312 -14.450 0.746 336 HG21 THR 52 3HG2 THR 52 1.448 -17.247 0.195 337 HG22 THR 52 1HG2 THR 52 0.231 -16.400 1.148 338 HG23 THR 52 2HG2 THR 52 1.937 -15.991 1.333 339 H ASN 53 H ASN 53 0.963 -14.496 -2.706 340 HA ASN 53 HA ASN 53 3.315 -14.180 -4.445 341 HB2 ASN 53 1HB ASN 53 2.148 -16.571 -4.259 342 HB3 ASN 53 2HB ASN 53 1.029 -15.841 -5.405 343 HD21 ASN 53 1HD2 ASN 53 2.144 -17.859 -6.464 344 HD22 ASN 53 2HD2 ASN 53 3.468 -17.457 -7.508 345 H THR 54 H THR 54 0.776 -12.703 -3.332 346 HA THR 54 HA THR 54 -0.502 -11.837 -5.778 347 HB THR 54 HB THR 54 -1.208 -10.223 -3.517 348 HG1 THR 54 1HG THR 54 -1.723 -11.781 -2.014 349 HG21 THR 54 3HG2 THR 54 -3.418 -11.244 -3.880 350 HG22 THR 54 1HG2 THR 54 -2.686 -12.440 -4.948 351 HG23 THR 54 2HG2 THR 54 -2.683 -10.735 -5.400 352 H GLY 55 H GLY 55 0.186 -10.172 -6.953 353 HA2 GLY 55 1HA GLY 55 0.725 -7.637 -6.203 354 HA3 GLY 55 2HA GLY 55 2.270 -8.435 -5.954 355 H ASN 56 H ASN 56 -0.252 -8.604 -8.469 356 HA ASN 56 HA ASN 56 1.777 -8.727 -10.519 357 HB2 ASN 56 1HB ASN 56 -0.588 -9.846 -10.491 358 HB3 ASN 56 2HB ASN 56 -1.133 -8.284 -11.093 359 HD21 ASN 56 1HD2 ASN 56 -1.775 -9.354 -13.010 360 HD22 ASN 56 2HD2 ASN 56 -0.613 -9.769 -14.229 361 H SER 57 H SER 57 -1.039 -6.577 -10.161 362 HA SER 57 HA SER 57 0.479 -4.391 -11.339 363 HB2 SER 57 1HB SER 57 -1.998 -3.398 -10.572 364 HB3 SER 57 2HB SER 57 -1.587 -4.016 -12.173 365 HG SER 57 HG SER 57 -3.483 -4.954 -10.944 366 H PHE 58 H PHE 58 -1.404 -5.036 -8.407 367 HA PHE 58 HA PHE 58 0.580 -3.809 -6.746 368 HB2 PHE 58 1HB PHE 58 -1.055 -2.222 -5.667 369 HB3 PHE 58 2HB PHE 58 -0.548 -1.771 -7.288 370 HD1 PHE 58 2HD PHE 58 -3.332 -2.978 -5.235 371 HD2 PHE 58 1HD PHE 58 -2.103 -1.754 -9.120 372 HE1 PHE 58 2HE PHE 58 -5.686 -2.781 -5.910 373 HE2 PHE 58 1HE PHE 58 -4.459 -1.552 -9.803 374 HZ PHE 58 HZ PHE 58 -6.256 -2.068 -8.196 375 H LEU 59 H LEU 59 -0.546 -3.730 -4.360 376 HA LEU 59 HA LEU 59 -1.523 -6.473 -4.063 377 HB2 LEU 59 1HB LEU 59 0.398 -4.908 -2.679 378 HB3 LEU 59 2HB LEU 59 -0.897 -5.272 -1.555 379 HG LEU 59 HG LEU 59 0.656 -7.320 -3.140 380 HD11 LEU 59 1HD1 LEU 59 0.993 -7.659 -0.373 381 HD12 LEU 59 2HD1 LEU 59 2.201 -7.168 -1.561 382 HD13 LEU 59 3HD1 LEU 59 1.261 -5.947 -0.704 383 HD21 LEU 59 3HD2 LEU 59 -1.154 -8.577 -2.735 384 HD22 LEU 59 1HD2 LEU 59 -0.565 -8.621 -1.074 385 HD23 LEU 59 2HD2 LEU 59 -1.793 -7.444 -1.543 386 H ILE 60 H ILE 60 -3.663 -6.641 -3.929 387 HA ILE 60 HA ILE 60 -5.284 -4.555 -2.783 388 HB ILE 60 HB ILE 60 -5.936 -7.322 -3.806 389 HG12 ILE 60 2HG1 ILE 60 -7.276 -4.964 -4.929 390 HG13 ILE 60 1HG1 ILE 60 -5.525 -4.942 -5.123 391 HG21 ILE 60 1HG2 ILE 60 -7.443 -6.873 -1.951 392 HG22 ILE 60 2HG2 ILE 60 -7.848 -5.300 -2.637 393 HG23 ILE 60 3HG2 ILE 60 -8.314 -6.777 -3.482 394 HD11 ILE 60 3HD1 ILE 60 -5.747 -7.271 -6.083 395 HD12 ILE 60 1HD1 ILE 60 -7.484 -6.972 -6.141 396 HD13 ILE 60 2HD1 ILE 60 -6.382 -5.948 -7.062 397 H ILE 61 H ILE 61 -5.573 -4.304 -0.678 398 HA ILE 61 HA ILE 61 -4.388 -6.212 1.131 399 HB ILE 61 HB ILE 61 -5.387 -3.408 1.340 400 HG12 ILE 61 2HG1 ILE 61 -2.851 -4.819 2.184 401 HG13 ILE 61 1HG1 ILE 61 -3.070 -3.867 0.716 402 HG21 ILE 61 1HG2 ILE 61 -6.395 -4.533 3.282 403 HG22 ILE 61 2HG2 ILE 61 -4.798 -5.111 3.757 404 HG23 ILE 61 3HG2 ILE 61 -5.145 -3.381 3.751 405 HD11 ILE 61 3HD1 ILE 61 -1.888 -2.577 2.359 406 HD12 ILE 61 1HD1 ILE 61 -3.493 -1.886 2.111 407 HD13 ILE 61 2HD1 ILE 61 -3.162 -2.857 3.547 408 H ASN 62 H ASN 62 -5.378 -7.288 2.801 409 HA ASN 62 HA ASN 62 -8.107 -8.090 2.291 410 HB2 ASN 62 1HB ASN 62 -5.895 -9.356 3.274 411 HB3 ASN 62 2HB ASN 62 -6.793 -9.030 4.753 412 HD21 ASN 62 1HD2 ASN 62 -8.989 -9.799 4.866 413 HD22 ASN 62 2HD2 ASN 62 -9.428 -11.246 4.016 414 H ALA 63 H ALA 63 -7.780 -5.372 3.107 415 HA ALA 63 HA ALA 63 -8.783 -3.795 4.370 416 HB1 ALA 63 1HB ALA 63 -10.749 -4.364 5.681 417 HB2 ALA 63 2HB ALA 63 -10.790 -5.156 4.105 418 HB3 ALA 63 3HB ALA 63 -10.359 -6.079 5.545 419 H ALA 64 H ALA 64 -8.847 -6.400 6.794 420 HA ALA 64 HA ALA 64 -7.853 -4.536 8.758 421 HB1 ALA 64 1HB ALA 64 -9.603 -6.597 8.892 422 HB2 ALA 64 2HB ALA 64 -8.147 -7.348 9.546 423 HB3 ALA 64 3HB ALA 64 -8.794 -5.882 10.287 424 H ASN 65 H ASN 65 -5.829 -4.655 7.119 425 HA ASN 65 HA ASN 65 -3.820 -6.040 8.730 426 HB2 ASN 65 1HB ASN 65 -4.559 -6.976 6.192 427 HB3 ASN 65 2HB ASN 65 -3.033 -6.126 5.955 428 HD21 ASN 65 1HD2 ASN 65 -3.650 -8.962 5.817 429 HD22 ASN 65 2HD2 ASN 65 -2.614 -9.734 6.961 430 H CYS 66 H CYS 66 -4.905 -3.303 8.018 431 HA CYS 66 HA CYS 66 -2.282 -2.027 7.711 432 HB2 CYS 66 1HB CYS 66 -3.785 -1.837 5.651 433 HB3 CYS 66 2HB CYS 66 -4.840 -0.834 6.641 434 H VAL 67 H VAL 67 -1.843 -0.477 9.218 435 HA VAL 67 HA VAL 67 -3.980 -0.035 11.206 436 HB VAL 67 HB VAL 67 -2.156 0.210 12.893 437 HG11 VAL 67 1HG1 VAL 67 -1.621 -2.496 12.018 438 HG12 VAL 67 2HG1 VAL 67 -2.514 -1.918 13.425 439 HG13 VAL 67 3HG1 VAL 67 -3.331 -2.084 11.871 440 HG21 VAL 67 3HG2 VAL 67 -0.300 -1.191 11.024 441 HG22 VAL 67 1HG2 VAL 67 -0.433 0.566 10.954 442 HG23 VAL 67 2HG2 VAL 67 0.057 -0.220 12.454 443 H ALA 68 H ALA 68 -2.997 1.606 8.822 444 HA ALA 68 HA ALA 68 -3.040 4.143 10.234 445 HB1 ALA 68 1HB ALA 68 -0.596 3.062 9.255 446 HB2 ALA 68 2HB ALA 68 -1.025 4.451 8.255 447 HB3 ALA 68 3HB ALA 68 -0.885 4.631 10.004 Start of MODEL 4 1 H1 SER 1 1H SER 1 -1.469 14.693 -4.040 2 H2 SER 1 2H SER 1 -2.686 15.429 -4.963 3 H3 SER 1 3H SER 1 -1.055 15.773 -5.280 4 HA SER 1 HA SER 1 -2.513 13.256 -5.751 5 HB2 SER 1 1HB SER 1 -0.860 14.311 -7.898 6 HB3 SER 1 2HB SER 1 -2.578 13.908 -7.903 7 HG SER 1 HG SER 1 -1.611 16.282 -8.069 8 H ALA 2 H ALA 2 0.648 14.497 -6.799 9 HA ALA 2 HA ALA 2 1.810 11.890 -6.371 10 HB1 ALA 2 1HB ALA 2 3.834 12.878 -7.356 11 HB2 ALA 2 2HB ALA 2 2.410 13.147 -8.362 12 HB3 ALA 2 3HB ALA 2 3.048 14.457 -7.368 13 H THR 3 H THR 3 2.176 11.381 -4.316 14 HA THR 3 HA THR 3 3.132 13.303 -2.401 15 HB THR 3 HB THR 3 3.428 10.552 -1.561 16 HG1 THR 3 1HG THR 3 0.744 11.130 -2.148 17 HG21 THR 3 3HG2 THR 3 2.518 11.371 0.332 18 HG22 THR 3 1HG2 THR 3 1.189 12.147 -0.530 19 HG23 THR 3 2HG2 THR 3 2.761 12.941 -0.435 20 H THR 4 H THR 4 4.487 10.754 -4.386 21 HA THR 4 HA THR 4 6.565 9.822 -4.572 22 HB THR 4 HB THR 4 7.725 12.525 -4.009 23 HG1 THR 4 1HG THR 4 7.131 12.894 -6.352 24 HG21 THR 4 3HG2 THR 4 8.607 10.109 -5.206 25 HG22 THR 4 1HG2 THR 4 9.492 11.622 -5.017 26 HG23 THR 4 2HG2 THR 4 8.533 11.338 -6.470 27 H ILE 5 H ILE 5 6.301 8.658 -2.544 28 HA ILE 5 HA ILE 5 7.072 9.797 -0.063 29 HB ILE 5 HB ILE 5 6.615 7.732 0.925 30 HG12 ILE 5 2HG1 ILE 5 6.678 6.216 -1.662 31 HG13 ILE 5 1HG1 ILE 5 8.178 6.523 -0.791 32 HG21 ILE 5 1HG2 ILE 5 4.474 7.908 0.407 33 HG22 ILE 5 2HG2 ILE 5 4.884 8.689 -1.119 34 HG23 ILE 5 3HG2 ILE 5 4.751 6.931 -1.035 35 HD11 ILE 5 3HD1 ILE 5 6.000 4.666 -0.203 36 HD12 ILE 5 1HD1 ILE 5 7.708 4.595 0.232 37 HD13 ILE 5 2HD1 ILE 5 6.592 5.567 1.192 38 H GLY 6 H GLY 6 8.866 9.342 1.232 39 HA2 GLY 6 1HA GLY 6 11.287 8.801 -0.327 40 HA3 GLY 6 2HA GLY 6 11.221 9.582 1.246 41 HA PRO 7 HA PRO 7 12.621 5.416 2.274 42 HB2 PRO 7 1HB PRO 7 13.795 6.533 4.651 43 HB3 PRO 7 2HB PRO 7 14.611 5.941 3.207 44 HG2 PRO 7 1HG PRO 7 14.552 8.577 3.977 45 HG3 PRO 7 2HG PRO 7 14.805 8.028 2.310 46 HD2 PRO 7 1HD PRO 7 12.314 9.055 3.616 47 HD3 PRO 7 2HD PRO 7 12.935 9.349 1.977 48 H ASN 8 H ASN 8 10.198 5.222 2.674 49 HA ASN 8 HA ASN 8 8.647 4.191 3.955 50 HB2 ASN 8 1HB ASN 8 10.374 2.946 5.106 51 HB3 ASN 8 2HB ASN 8 10.735 4.329 6.137 52 HD21 ASN 8 1HD2 ASN 8 10.284 3.316 8.048 53 HD22 ASN 8 2HD2 ASN 8 8.684 2.834 8.510 54 H THR 9 H THR 9 6.980 5.430 4.176 55 HA THR 9 HA THR 9 7.087 7.989 5.460 56 HB THR 9 HB THR 9 4.561 6.642 4.583 57 HG1 THR 9 1HG THR 9 6.420 7.868 2.807 58 HG21 THR 9 3HG2 THR 9 3.969 8.893 3.847 59 HG22 THR 9 1HG2 THR 9 5.571 9.475 4.299 60 HG23 THR 9 2HG2 THR 9 4.455 8.910 5.543 61 H CYS 10 H CYS 10 6.462 4.810 6.518 62 HA CYS 10 HA CYS 10 5.052 5.825 8.902 63 HB2 CYS 10 1HB CYS 10 4.879 3.119 7.566 64 HB3 CYS 10 2HB CYS 10 4.191 3.473 9.146 65 H SER 11 H SER 11 7.184 6.308 9.771 66 HA SER 11 HA SER 11 9.042 4.181 10.253 67 HB2 SER 11 1HB SER 11 9.222 6.698 11.813 68 HB3 SER 11 2HB SER 11 10.472 5.824 10.926 69 HG SER 11 HG SER 11 9.975 6.866 9.140 70 H ILE 12 H ILE 12 7.016 3.007 11.275 71 HA ILE 12 HA ILE 12 7.059 3.486 14.181 72 HB ILE 12 HB ILE 12 5.152 1.552 12.934 73 HG12 ILE 12 2HG1 ILE 12 5.158 3.836 11.681 74 HG13 ILE 12 1HG1 ILE 12 3.624 3.151 12.203 75 HG21 ILE 12 1HG2 ILE 12 5.144 3.329 15.354 76 HG22 ILE 12 2HG2 ILE 12 3.696 2.498 14.784 77 HG23 ILE 12 3HG2 ILE 12 5.110 1.567 15.280 78 HD11 ILE 12 3HD1 ILE 12 5.128 5.193 13.808 79 HD12 ILE 12 1HD1 ILE 12 3.925 5.612 12.589 80 HD13 ILE 12 2HD1 ILE 12 3.454 4.668 14.004 81 H ASP 13 H ASP 13 6.112 0.462 12.766 82 HA ASP 13 HA ASP 13 8.656 -0.772 13.583 83 HB2 ASP 13 1HB ASP 13 6.539 -1.179 15.083 84 HB3 ASP 13 2HB ASP 13 6.051 -2.262 13.785 85 H ASP 14 H ASP 14 7.162 -3.341 12.664 86 HA ASP 14 HA ASP 14 8.032 -3.237 9.925 87 HB2 ASP 14 1HB ASP 14 8.307 -5.246 11.337 88 HB3 ASP 14 2HB ASP 14 6.557 -5.413 11.425 89 H TYR 15 H TYR 15 6.254 -1.323 10.008 90 HA TYR 15 HA TYR 15 3.804 -2.439 8.806 91 HB2 TYR 15 1HB TYR 15 4.281 -0.126 10.591 92 HB3 TYR 15 2HB TYR 15 3.160 0.158 9.265 93 HD1 TYR 15 2HD TYR 15 1.400 -1.890 8.961 94 HD2 TYR 15 1HD TYR 15 3.352 -0.802 12.581 95 HE1 TYR 15 2HE TYR 15 -0.399 -2.962 10.246 96 HE2 TYR 15 1HE TYR 15 1.560 -1.875 13.875 97 HH TYR 15 HH TYR 15 -0.463 -4.047 12.774 98 H LYS 16 H LYS 16 4.562 -2.635 6.740 99 HA LYS 16 HA LYS 16 6.306 -0.766 5.520 100 HB2 LYS 16 1HB LYS 16 4.774 -3.163 4.609 101 HB3 LYS 16 2HB LYS 16 5.475 -2.099 3.397 102 HG2 LYS 16 1HG LYS 16 7.082 -3.747 3.717 103 HG3 LYS 16 2HG LYS 16 7.669 -2.386 4.676 104 HD2 LYS 16 1HD LYS 16 7.891 -3.938 6.294 105 HD3 LYS 16 2HD LYS 16 6.158 -3.689 6.513 106 HE2 LYS 16 2HE LYS 16 5.690 -5.766 5.834 107 HE3 LYS 16 1HE LYS 16 6.711 -5.600 4.406 108 HZ1 LYS 16 3HZ LYS 16 7.820 -6.124 7.107 109 HZ2 LYS 16 1HZ LYS 16 8.597 -6.280 5.604 110 HZ3 LYS 16 2HZ LYS 16 7.375 -7.376 6.043 111 HA PRO 17 HA PRO 17 3.299 2.142 4.046 112 HB2 PRO 17 1HB PRO 17 4.915 3.610 2.472 113 HB3 PRO 17 2HB PRO 17 5.017 3.670 4.237 114 HG2 PRO 17 1HG PRO 17 6.753 2.235 2.280 115 HG3 PRO 17 2HG PRO 17 7.205 3.077 3.773 116 HD2 PRO 17 1HD PRO 17 6.918 0.339 3.523 117 HD3 PRO 17 2HD PRO 17 6.814 1.230 5.053 118 H TYR 18 H TYR 18 1.803 1.618 2.622 119 HA TYR 18 HA TYR 18 2.637 0.854 -0.099 120 HB2 TYR 18 1HB TYR 18 0.306 -0.199 1.520 121 HB3 TYR 18 2HB TYR 18 0.528 -0.506 -0.200 122 HD1 TYR 18 2HD TYR 18 2.669 -1.713 -0.915 123 HD2 TYR 18 1HD TYR 18 1.310 -1.572 3.107 124 HE1 TYR 18 2HE TYR 18 4.072 -3.661 -0.380 125 HE2 TYR 18 1HE TYR 18 2.703 -3.518 3.658 126 HH TYR 18 HH TYR 18 3.718 -5.477 2.379 127 H CYS 19 H CYS 19 1.292 1.562 -1.794 128 HA CYS 19 HA CYS 19 -0.054 4.071 -1.234 129 HB2 CYS 19 1HB CYS 19 1.446 3.185 -3.359 130 HB3 CYS 19 2HB CYS 19 -0.194 3.030 -3.978 131 H CYS 20 H CYS 20 -1.846 3.333 -0.068 132 HA CYS 20 HA CYS 20 -3.692 1.486 -1.343 133 HB2 CYS 20 1HB CYS 20 -3.714 2.893 1.327 134 HB3 CYS 20 2HB CYS 20 -5.048 1.898 0.759 135 H GLN 21 H GLN 21 -5.718 1.997 -2.081 136 HA GLN 21 HA GLN 21 -6.497 4.826 -2.016 137 HB2 GLN 21 1HB GLN 21 -7.470 4.411 -4.353 138 HB3 GLN 21 2HB GLN 21 -5.732 4.629 -4.225 139 HG2 GLN 21 1HG GLN 21 -6.263 1.866 -3.957 140 HG3 GLN 21 2HG GLN 21 -7.182 2.455 -5.341 141 HE21 GLN 21 1HE2 GLN 21 -4.092 1.673 -4.110 142 HE22 GLN 21 2HE2 GLN 21 -3.184 2.055 -5.531 143 H SER 22 H SER 22 -8.607 5.190 -1.562 144 HA SER 22 HA SER 22 -10.231 2.923 -0.815 145 HB2 SER 22 1HB SER 22 -11.496 5.582 -0.853 146 HB3 SER 22 2HB SER 22 -11.378 4.410 0.458 147 HG SER 22 HG SER 22 -9.005 5.151 0.389 148 H MET 23 H MET 23 -10.524 1.909 -2.818 149 HA MET 23 HA MET 23 -11.537 3.364 -5.081 150 HB2 MET 23 1HB MET 23 -10.650 0.585 -4.536 151 HB3 MET 23 2HB MET 23 -11.800 0.805 -5.848 152 HG2 MET 23 1HG MET 23 -9.810 2.779 -6.147 153 HG3 MET 23 2HG MET 23 -8.992 1.249 -5.831 154 HE1 MET 23 3HE MET 23 -8.489 0.309 -9.304 155 HE2 MET 23 1HE MET 23 -8.065 1.915 -8.708 156 HE3 MET 23 2HE MET 23 -7.920 0.513 -7.648 157 H SER 24 H SER 24 -13.578 3.884 -5.366 158 HA SER 24 HA SER 24 -15.741 2.762 -3.930 159 HB2 SER 24 1HB SER 24 -16.574 4.037 -6.379 160 HB3 SER 24 2HB SER 24 -16.753 4.604 -4.716 161 HG SER 24 HG SER 24 -15.433 6.102 -5.508 162 H GLY 25 H GLY 25 -16.916 1.002 -4.332 163 HA2 GLY 25 1HA GLY 25 -17.898 -0.092 -6.561 164 HA3 GLY 25 2HA GLY 25 -16.225 -0.634 -6.638 165 H SER 26 H SER 26 -15.410 -1.678 -4.576 166 HA SER 26 HA SER 26 -17.563 -3.235 -3.305 167 HB2 SER 26 1HB SER 26 -15.088 -4.523 -2.873 168 HB3 SER 26 2HB SER 26 -16.403 -5.050 -3.926 169 HG SER 26 HG SER 26 -15.085 -4.687 -5.512 170 H ALA 27 H ALA 27 -15.566 -0.723 -2.793 171 HA ALA 27 HA ALA 27 -14.609 0.337 -1.034 172 HB1 ALA 27 1HB ALA 27 -16.088 0.653 0.612 173 HB2 ALA 27 2HB ALA 27 -17.095 -0.553 -0.189 174 HB3 ALA 27 3HB ALA 27 -16.005 -1.037 1.110 175 H SER 28 H SER 28 -13.202 -1.844 -1.988 176 HA SER 28 HA SER 28 -12.324 -3.464 0.230 177 HB2 SER 28 1HB SER 28 -10.566 -3.860 -1.891 178 HB3 SER 28 2HB SER 28 -12.005 -4.818 -1.541 179 HG SER 28 HG SER 28 -12.554 -4.147 -3.477 180 H LEU 29 H LEU 29 -10.030 -2.228 -2.049 181 HA LEU 29 HA LEU 29 -8.966 -0.045 -0.711 182 HB2 LEU 29 1HB LEU 29 -8.193 -2.595 0.457 183 HB3 LEU 29 2HB LEU 29 -6.799 -1.716 -0.137 184 HG LEU 29 HG LEU 29 -8.786 -0.768 1.924 185 HD11 LEU 29 1HD1 LEU 29 -6.546 -2.361 2.184 186 HD12 LEU 29 2HD1 LEU 29 -5.951 -0.745 2.565 187 HD13 LEU 29 3HD1 LEU 29 -7.309 -1.419 3.467 188 HD21 LEU 29 3HD2 LEU 29 -7.275 1.212 2.100 189 HD22 LEU 29 1HD2 LEU 29 -6.499 0.683 0.606 190 HD23 LEU 29 2HD2 LEU 29 -8.203 1.138 0.601 191 H GLY 30 H GLY 30 -6.514 -2.301 -1.444 192 HA2 GLY 30 1HA GLY 30 -5.514 -2.732 -3.588 193 HA3 GLY 30 2HA GLY 30 -6.327 -1.297 -4.203 194 H CYS 31 H CYS 31 -3.423 -2.503 -3.113 195 HA CYS 31 HA CYS 31 -2.332 0.176 -2.735 196 HB2 CYS 31 1HB CYS 31 -1.597 -1.949 -0.744 197 HB3 CYS 31 2HB CYS 31 -1.384 -0.210 -0.628 198 H VAL 32 H VAL 32 -0.595 0.329 -3.982 199 HA VAL 32 HA VAL 32 0.904 -2.081 -4.670 200 HB VAL 32 HB VAL 32 2.063 0.308 -5.787 201 HG11 VAL 32 1HG1 VAL 32 2.461 -1.743 -6.839 202 HG12 VAL 32 2HG1 VAL 32 0.749 -2.172 -6.851 203 HG13 VAL 32 3HG1 VAL 32 1.350 -0.904 -7.921 204 HG21 VAL 32 3HG2 VAL 32 -0.712 -0.045 -6.814 205 HG22 VAL 32 1HG2 VAL 32 -0.464 0.941 -5.371 206 HG23 VAL 32 2HG2 VAL 32 0.345 1.366 -6.881 207 H VAL 33 H VAL 33 3.349 -1.836 -4.672 208 HA VAL 33 HA VAL 33 4.096 -1.433 -1.962 209 HB VAL 33 HB VAL 33 6.447 -1.632 -3.530 210 HG11 VAL 33 1HG1 VAL 33 5.044 -3.916 -2.178 211 HG12 VAL 33 2HG1 VAL 33 6.775 -3.625 -2.345 212 HG13 VAL 33 3HG1 VAL 33 5.812 -2.614 -1.267 213 HG21 VAL 33 3HG2 VAL 33 4.768 -2.284 -5.342 214 HG22 VAL 33 1HG2 VAL 33 6.091 -3.406 -5.029 215 HG23 VAL 33 2HG2 VAL 33 4.481 -3.739 -4.388 216 H GLY 34 H GLY 34 4.605 0.422 -1.019 217 HA2 GLY 34 1HA GLY 34 5.534 2.675 -2.628 218 HA3 GLY 34 2HA GLY 34 5.066 2.730 -0.934 219 H VAL 35 H VAL 35 6.519 1.361 0.506 220 HA VAL 35 HA VAL 35 8.527 1.026 1.492 221 HB VAL 35 HB VAL 35 9.738 0.673 -1.246 222 HG11 VAL 35 1HG1 VAL 35 11.504 0.150 0.009 223 HG12 VAL 35 2HG1 VAL 35 10.542 0.147 1.487 224 HG13 VAL 35 3HG1 VAL 35 10.623 -1.303 0.485 225 HG21 VAL 35 3HG2 VAL 35 7.958 -0.735 -1.554 226 HG22 VAL 35 1HG2 VAL 35 9.063 -1.819 -0.708 227 HG23 VAL 35 2HG2 VAL 35 7.755 -1.032 0.174 228 H ILE 36 H ILE 36 10.362 2.128 -1.241 229 HA ILE 36 HA ILE 36 10.805 4.742 -0.007 230 HB ILE 36 HB ILE 36 13.047 2.821 -0.682 231 HG12 ILE 36 2HG1 ILE 36 12.406 4.017 2.012 232 HG13 ILE 36 1HG1 ILE 36 11.751 2.468 1.496 233 HG21 ILE 36 1HG2 ILE 36 13.104 5.678 0.275 234 HG22 ILE 36 2HG2 ILE 36 14.507 4.607 0.257 235 HG23 ILE 36 3HG2 ILE 36 13.715 5.047 -1.256 236 HD11 ILE 36 3HD1 ILE 36 14.591 2.525 1.091 237 HD12 ILE 36 1HD1 ILE 36 14.195 2.955 2.754 238 HD13 ILE 36 2HD1 ILE 36 13.620 1.431 2.078 239 H GLY 37 H GLY 37 10.434 6.156 -1.594 240 HA2 GLY 37 1HA GLY 37 11.001 7.325 -3.517 241 HA3 GLY 37 2HA GLY 37 12.001 5.974 -4.018 242 H SER 38 H SER 38 8.525 6.192 -3.266 243 HA SER 38 HA SER 38 7.993 5.370 -6.042 244 HB2 SER 38 1HB SER 38 6.534 4.570 -3.515 245 HB3 SER 38 2HB SER 38 5.921 4.258 -5.141 246 HG SER 38 HG SER 38 7.867 2.961 -3.719 247 H GLN 39 H GLN 39 6.597 6.567 -7.191 248 HA GLN 39 HA GLN 39 5.753 9.081 -6.058 249 HB2 GLN 39 1HB GLN 39 6.210 8.014 -8.689 250 HB3 GLN 39 2HB GLN 39 4.623 8.767 -8.624 251 HG2 GLN 39 1HG GLN 39 5.860 10.746 -7.528 252 HG3 GLN 39 2HG GLN 39 7.311 9.997 -8.192 253 HE21 GLN 39 1HE2 GLN 39 6.627 9.129 -10.594 254 HE22 GLN 39 2HE2 GLN 39 6.081 10.431 -11.608 255 H CYS 40 H CYS 40 4.321 8.165 -4.476 256 HA CYS 40 HA CYS 40 2.007 6.706 -5.075 257 HB2 CYS 40 1HB CYS 40 3.140 8.058 -2.793 258 HB3 CYS 40 2HB CYS 40 1.409 8.367 -2.882 259 H GLY 41 H GLY 41 -0.031 7.273 -5.661 260 HA2 GLY 41 1HA GLY 41 -0.535 10.143 -6.160 261 HA3 GLY 41 2HA GLY 41 -1.126 8.865 -7.218 262 H ALA 42 H ALA 42 -1.222 7.881 -4.036 263 HA ALA 42 HA ALA 42 -4.011 8.734 -3.713 264 HB1 ALA 42 1HB ALA 42 -4.827 6.627 -3.551 265 HB2 ALA 42 2HB ALA 42 -3.443 6.264 -4.583 266 HB3 ALA 42 3HB ALA 42 -3.342 5.988 -2.844 267 H SER 43 H SER 43 -3.665 6.564 -1.387 268 HA SER 43 HA SER 43 -2.526 8.518 0.494 269 HB2 SER 43 1HB SER 43 -4.225 6.283 1.475 270 HB3 SER 43 2HB SER 43 -4.147 7.958 2.016 271 HG SER 43 HG SER 43 -5.364 8.575 0.248 272 H VAL 44 H VAL 44 -0.691 7.979 1.504 273 HA VAL 44 HA VAL 44 0.403 5.318 1.160 274 HB VAL 44 HB VAL 44 1.695 7.362 2.927 275 HG11 VAL 44 1HG1 VAL 44 2.531 5.076 1.208 276 HG12 VAL 44 2HG1 VAL 44 3.683 6.372 1.530 277 HG13 VAL 44 3HG1 VAL 44 2.983 5.461 2.869 278 HG21 VAL 44 3HG2 VAL 44 1.194 8.790 1.140 279 HG22 VAL 44 1HG2 VAL 44 2.819 8.209 0.779 280 HG23 VAL 44 2HG2 VAL 44 1.429 7.520 -0.060 281 H LYS 45 H LYS 45 -0.266 3.748 2.437 282 HA LYS 45 HA LYS 45 -0.828 4.390 5.258 283 HB2 LYS 45 1HB LYS 45 -2.183 2.426 3.411 284 HB3 LYS 45 2HB LYS 45 -2.397 2.400 5.156 285 HG2 LYS 45 1HG LYS 45 -2.959 4.852 3.520 286 HG3 LYS 45 2HG LYS 45 -4.168 3.595 3.786 287 HD2 LYS 45 1HD LYS 45 -4.689 4.629 5.690 288 HD3 LYS 45 2HD LYS 45 -3.118 4.125 6.312 289 HE2 LYS 45 2HE LYS 45 -2.122 6.168 5.799 290 HE3 LYS 45 1HE LYS 45 -3.398 6.610 4.666 291 HZ1 LYS 45 3HZ LYS 45 -3.663 6.446 7.622 292 HZ2 LYS 45 1HZ LYS 45 -4.917 6.835 6.546 293 HZ3 LYS 45 2HZ LYS 45 -3.586 7.874 6.704 294 H CYS 46 H CYS 46 -0.339 2.771 6.800 295 HA CYS 46 HA CYS 46 1.957 1.147 6.018 296 HB2 CYS 46 1HB CYS 46 1.284 1.186 8.858 297 HB3 CYS 46 2HB CYS 46 2.801 1.588 8.058 298 H CYS 47 H CYS 47 1.479 -0.858 5.422 299 HA CYS 47 HA CYS 47 -0.732 -2.227 6.814 300 HB2 CYS 47 1HB CYS 47 0.319 -3.102 4.146 301 HB3 CYS 47 2HB CYS 47 -1.276 -3.353 4.847 302 H LYS 48 H LYS 48 -0.313 -3.983 7.940 303 HA LYS 48 HA LYS 48 2.328 -5.132 7.994 304 HB2 LYS 48 1HB LYS 48 0.626 -4.891 9.938 305 HB3 LYS 48 2HB LYS 48 -0.117 -6.332 9.265 306 HG2 LYS 48 1HG LYS 48 1.274 -7.234 10.851 307 HG3 LYS 48 2HG LYS 48 2.296 -7.308 9.414 308 HD2 LYS 48 1HD LYS 48 3.349 -5.183 10.085 309 HD3 LYS 48 2HD LYS 48 2.363 -5.173 11.547 310 HE2 LYS 48 2HE LYS 48 4.710 -6.027 11.833 311 HE3 LYS 48 1HE LYS 48 3.439 -7.111 12.392 312 HZ1 LYS 48 3HZ LYS 48 5.367 -7.461 10.262 313 HZ2 LYS 48 1HZ LYS 48 3.784 -7.915 9.850 314 HZ3 LYS 48 2HZ LYS 48 4.537 -8.620 11.190 315 H ASP 49 H ASP 49 1.558 -5.286 5.478 316 HA ASP 49 HA ASP 49 0.625 -8.039 5.035 317 HB2 ASP 49 1HB ASP 49 -0.542 -5.942 3.944 318 HB3 ASP 49 2HB ASP 49 0.816 -6.023 2.823 319 H ASP 50 H ASP 50 2.493 -9.182 5.151 320 HA ASP 50 HA ASP 50 4.959 -8.129 4.104 321 HB2 ASP 50 1HB ASP 50 4.140 -10.382 5.781 322 HB3 ASP 50 2HB ASP 50 5.446 -10.781 4.668 323 H VAL 51 H VAL 51 4.316 -7.869 1.907 324 HA VAL 51 HA VAL 51 3.499 -9.918 0.201 325 HB VAL 51 HB VAL 51 4.715 -8.528 -1.607 326 HG11 VAL 51 1HG1 VAL 51 2.311 -8.447 -1.187 327 HG12 VAL 51 2HG1 VAL 51 2.569 -7.243 0.076 328 HG13 VAL 51 3HG1 VAL 51 2.944 -6.855 -1.603 329 HG21 VAL 51 3HG2 VAL 51 4.702 -6.124 -0.055 330 HG22 VAL 51 1HG2 VAL 51 5.792 -7.297 0.685 331 HG23 VAL 51 2HG2 VAL 51 6.011 -6.831 -1.001 332 H THR 52 H THR 52 4.469 -11.701 -0.438 333 HA THR 52 HA THR 52 7.330 -12.006 0.105 334 HB THR 52 HB THR 52 6.174 -14.474 -0.679 335 HG1 THR 52 1HG THR 52 4.661 -13.257 1.401 336 HG21 THR 52 3HG2 THR 52 7.995 -14.029 0.984 337 HG22 THR 52 1HG2 THR 52 6.755 -15.147 1.553 338 HG23 THR 52 2HG2 THR 52 6.756 -13.473 2.110 339 H ASN 53 H ASN 53 5.764 -10.844 -2.323 340 HA ASN 53 HA ASN 53 7.708 -11.683 -4.257 341 HB2 ASN 53 1HB ASN 53 5.676 -13.366 -4.298 342 HB3 ASN 53 2HB ASN 53 4.879 -12.064 -5.174 343 HD21 ASN 53 1HD2 ASN 53 5.192 -14.396 -6.418 344 HD22 ASN 53 2HD2 ASN 53 6.414 -14.291 -7.648 345 H THR 54 H THR 54 7.310 -10.483 -6.377 346 HA THR 54 HA THR 54 6.762 -7.736 -5.758 347 HB THR 54 HB THR 54 7.063 -8.310 -8.585 348 HG1 THR 54 1HG THR 54 8.723 -9.651 -8.546 349 HG21 THR 54 3HG2 THR 54 8.932 -6.960 -6.629 350 HG22 THR 54 1HG2 THR 54 7.581 -6.163 -7.435 351 HG23 THR 54 2HG2 THR 54 8.929 -6.787 -8.384 352 H GLY 55 H GLY 55 5.096 -10.371 -7.291 353 HA2 GLY 55 1HA GLY 55 2.844 -10.594 -7.722 354 HA3 GLY 55 2HA GLY 55 2.613 -8.947 -7.156 355 H ASN 56 H ASN 56 1.117 -8.715 -8.889 356 HA ASN 56 HA ASN 56 2.187 -8.667 -11.600 357 HB2 ASN 56 1HB ASN 56 -0.298 -9.251 -10.551 358 HB3 ASN 56 2HB ASN 56 -0.522 -7.622 -11.174 359 HD21 ASN 56 1HD2 ASN 56 -1.011 -10.684 -11.929 360 HD22 ASN 56 2HD2 ASN 56 -0.791 -10.638 -13.651 361 H SER 57 H SER 57 0.255 -6.435 -12.248 362 HA SER 57 HA SER 57 2.031 -4.230 -11.784 363 HB2 SER 57 1HB SER 57 -0.620 -3.511 -12.745 364 HB3 SER 57 2HB SER 57 0.944 -3.340 -13.547 365 HG SER 57 HG SER 57 0.691 -5.236 -14.521 366 H PHE 58 H PHE 58 -0.770 -5.562 -10.292 367 HA PHE 58 HA PHE 58 -0.905 -3.288 -8.450 368 HB2 PHE 58 1HB PHE 58 -2.790 -3.584 -10.327 369 HB3 PHE 58 2HB PHE 58 -3.435 -4.692 -9.121 370 HD1 PHE 58 1HD PHE 58 -2.034 -1.250 -9.341 371 HD2 PHE 58 2HD PHE 58 -4.887 -3.858 -7.562 372 HE1 PHE 58 1HE PHE 58 -3.005 0.650 -8.123 373 HE2 PHE 58 2HE PHE 58 -5.863 -1.963 -6.338 374 HZ PHE 58 HZ PHE 58 -4.927 0.301 -6.617 375 H LEU 59 H LEU 59 -1.549 -3.743 -6.370 376 HA LEU 59 HA LEU 59 -1.822 -6.579 -5.643 377 HB2 LEU 59 1HB LEU 59 0.072 -4.527 -4.628 378 HB3 LEU 59 2HB LEU 59 -0.663 -5.576 -3.432 379 HG LEU 59 HG LEU 59 1.340 -6.642 -3.927 380 HD11 LEU 59 1HD1 LEU 59 0.763 -8.708 -4.855 381 HD12 LEU 59 2HD1 LEU 59 -0.752 -8.074 -4.210 382 HD13 LEU 59 3HD1 LEU 59 -0.424 -7.987 -5.941 383 HD21 LEU 59 3HD2 LEU 59 1.836 -7.091 -6.483 384 HD22 LEU 59 1HD2 LEU 59 0.881 -5.622 -6.676 385 HD23 LEU 59 2HD2 LEU 59 2.341 -5.602 -5.687 386 H ILE 60 H ILE 60 -3.317 -6.981 -4.004 387 HA ILE 60 HA ILE 60 -4.813 -4.622 -3.074 388 HB ILE 60 HB ILE 60 -5.917 -7.334 -3.823 389 HG12 ILE 60 2HG1 ILE 60 -7.352 -5.273 -5.060 390 HG13 ILE 60 1HG1 ILE 60 -5.665 -4.786 -5.185 391 HG21 ILE 60 1HG2 ILE 60 -7.765 -5.171 -3.049 392 HG22 ILE 60 2HG2 ILE 60 -7.863 -6.908 -2.763 393 HG23 ILE 60 3HG2 ILE 60 -6.841 -5.903 -1.736 394 HD11 ILE 60 3HD1 ILE 60 -6.962 -6.416 -6.921 395 HD12 ILE 60 1HD1 ILE 60 -5.213 -6.348 -6.709 396 HD13 ILE 60 2HD1 ILE 60 -6.155 -7.583 -5.872 397 H ILE 61 H ILE 61 -4.233 -4.332 -1.046 398 HA ILE 61 HA ILE 61 -3.820 -6.624 0.717 399 HB ILE 61 HB ILE 61 -3.136 -3.691 0.957 400 HG12 ILE 61 2HG1 ILE 61 -1.089 -5.710 1.476 401 HG13 ILE 61 1HG1 ILE 61 -1.793 -5.847 -0.130 402 HG21 ILE 61 1HG2 ILE 61 -3.564 -5.619 3.099 403 HG22 ILE 61 2HG2 ILE 61 -1.959 -4.890 3.128 404 HG23 ILE 61 3HG2 ILE 61 -3.394 -3.865 3.171 405 HD11 ILE 61 3HD1 ILE 61 0.074 -4.457 -0.366 406 HD12 ILE 61 1HD1 ILE 61 -1.322 -3.379 -0.394 407 HD13 ILE 61 2HD1 ILE 61 -0.346 -3.519 1.067 408 H ASN 62 H ASN 62 -4.981 -6.853 2.672 409 HA ASN 62 HA ASN 62 -7.713 -5.951 2.443 410 HB2 ASN 62 1HB ASN 62 -6.682 -8.280 3.288 411 HB3 ASN 62 2HB ASN 62 -6.831 -7.467 4.842 412 HD21 ASN 62 1HD2 ASN 62 -8.251 -9.783 3.840 413 HD22 ASN 62 2HD2 ASN 62 -9.937 -9.375 3.867 414 H ALA 63 H ALA 63 -8.833 -4.654 3.845 415 HA ALA 63 HA ALA 63 -7.348 -2.798 5.451 416 HB1 ALA 63 1HB ALA 63 -9.144 -1.587 4.928 417 HB2 ALA 63 2HB ALA 63 -10.029 -3.022 4.408 418 HB3 ALA 63 3HB ALA 63 -10.053 -2.538 6.103 419 H ALA 64 H ALA 64 -6.474 -4.854 6.584 420 HA ALA 64 HA ALA 64 -7.826 -5.018 9.167 421 HB1 ALA 64 1HB ALA 64 -8.390 -7.170 9.031 422 HB2 ALA 64 2HB ALA 64 -7.988 -7.108 7.314 423 HB3 ALA 64 3HB ALA 64 -6.771 -7.613 8.485 424 H ASN 65 H ASN 65 -5.058 -6.398 7.386 425 HA ASN 65 HA ASN 65 -3.308 -6.009 9.639 426 HB2 ASN 65 1HB ASN 65 -1.522 -6.800 8.071 427 HB3 ASN 65 2HB ASN 65 -2.863 -7.917 8.252 428 HD21 ASN 65 1HD2 ASN 65 -1.434 -8.460 6.207 429 HD22 ASN 65 2HD2 ASN 65 -2.114 -7.914 4.707 430 H CYS 66 H CYS 66 -4.012 -4.384 6.619 431 HA CYS 66 HA CYS 66 -2.089 -2.303 7.079 432 HB2 CYS 66 1HB CYS 66 -3.129 -2.961 4.826 433 HB3 CYS 66 2HB CYS 66 -4.551 -2.065 5.350 434 H VAL 67 H VAL 67 -2.311 -0.518 8.303 435 HA VAL 67 HA VAL 67 -4.889 -0.124 9.651 436 HB VAL 67 HB VAL 67 -3.606 1.348 11.213 437 HG11 VAL 67 1HG1 VAL 67 -2.120 -1.162 11.427 438 HG12 VAL 67 2HG1 VAL 67 -3.255 -0.411 12.550 439 HG13 VAL 67 3HG1 VAL 67 -3.856 -1.368 11.197 440 HG21 VAL 67 3HG2 VAL 67 -1.224 0.291 9.694 441 HG22 VAL 67 1HG2 VAL 67 -1.758 1.971 9.779 442 HG23 VAL 67 2HG2 VAL 67 -1.145 1.166 11.224 443 H ALA 68 H ALA 68 -5.062 2.397 10.295 444 HA ALA 68 HA ALA 68 -4.846 3.842 7.734 445 HB1 ALA 68 1HB ALA 68 -7.041 4.175 7.770 446 HB2 ALA 68 2HB ALA 68 -7.153 3.181 9.221 447 HB3 ALA 68 3HB ALA 68 -6.924 4.924 9.361 Start of MODEL 5 1 H1 SER 1 1H SER 1 -1.339 15.864 -10.356 2 H2 SER 1 2H SER 1 -0.355 16.984 -11.157 3 H3 SER 1 3H SER 1 -1.347 17.489 -9.878 4 HA SER 1 HA SER 1 1.242 16.236 -9.837 5 HB2 SER 1 1HB SER 1 0.011 17.522 -7.459 6 HB3 SER 1 2HB SER 1 1.611 17.754 -8.166 7 HG SER 1 HG SER 1 0.711 19.565 -8.821 8 H ALA 2 H ALA 2 1.941 14.732 -8.285 9 HA ALA 2 HA ALA 2 -0.191 13.293 -6.855 10 HB1 ALA 2 1HB ALA 2 0.264 11.307 -7.798 11 HB2 ALA 2 2HB ALA 2 0.958 12.279 -9.097 12 HB3 ALA 2 3HB ALA 2 2.000 11.611 -7.843 13 H THR 3 H THR 3 0.629 11.980 -5.063 14 HA THR 3 HA THR 3 2.560 13.517 -3.571 15 HB THR 3 HB THR 3 1.743 11.236 -2.113 16 HG1 THR 3 1HG THR 3 -0.480 12.566 -3.306 17 HG21 THR 3 3HG2 THR 3 0.255 13.110 -1.020 18 HG22 THR 3 1HG2 THR 3 1.202 14.172 -2.062 19 HG23 THR 3 2HG2 THR 3 2.013 13.157 -0.870 20 H THR 4 H THR 4 4.616 13.007 -3.249 21 HA THR 4 HA THR 4 5.619 10.399 -4.121 22 HB THR 4 HB THR 4 7.455 12.487 -3.053 23 HG1 THR 4 1HG THR 4 6.006 12.702 -5.507 24 HG21 THR 4 3HG2 THR 4 8.670 11.742 -5.200 25 HG22 THR 4 1HG2 THR 4 7.470 10.452 -5.263 26 HG23 THR 4 2HG2 THR 4 8.549 10.587 -3.873 27 H ILE 5 H ILE 5 6.489 8.911 -2.691 28 HA ILE 5 HA ILE 5 5.865 9.462 0.109 29 HB ILE 5 HB ILE 5 5.634 7.200 0.499 30 HG12 ILE 5 2HG1 ILE 5 6.848 6.197 -2.019 31 HG13 ILE 5 1HG1 ILE 5 7.951 6.836 -0.805 32 HG21 ILE 5 1HG2 ILE 5 4.929 7.425 -2.420 33 HG22 ILE 5 2HG2 ILE 5 4.248 6.289 -1.254 34 HG23 ILE 5 3HG2 ILE 5 3.941 8.017 -1.084 35 HD11 ILE 5 3HD1 ILE 5 6.518 4.328 -0.871 36 HD12 ILE 5 1HD1 ILE 5 7.905 4.815 0.103 37 HD13 ILE 5 2HD1 ILE 5 6.270 5.201 0.642 38 H GLY 6 H GLY 6 7.299 9.124 1.788 39 HA2 GLY 6 1HA GLY 6 10.110 9.374 1.079 40 HA3 GLY 6 2HA GLY 6 9.417 9.537 2.688 41 HA PRO 7 HA PRO 7 11.272 5.246 1.974 42 HB2 PRO 7 1HB PRO 7 13.590 5.965 3.560 43 HB3 PRO 7 2HB PRO 7 13.522 5.416 1.886 44 HG2 PRO 7 1HG PRO 7 14.239 7.949 2.599 45 HG3 PRO 7 2HG PRO 7 13.477 7.543 1.047 46 HD2 PRO 7 1HD PRO 7 12.240 8.686 3.530 47 HD3 PRO 7 2HD PRO 7 11.964 9.122 1.829 48 H ASN 8 H ASN 8 11.149 7.348 4.772 49 HA ASN 8 HA ASN 8 10.579 4.992 6.438 50 HB2 ASN 8 1HB ASN 8 12.856 6.348 6.752 51 HB3 ASN 8 2HB ASN 8 11.808 7.377 7.726 52 HD21 ASN 8 1HD2 ASN 8 11.948 6.904 9.784 53 HD22 ASN 8 2HD2 ASN 8 12.111 5.317 10.462 54 H THR 9 H THR 9 8.527 6.243 5.222 55 HA THR 9 HA THR 9 7.385 8.269 6.911 56 HB THR 9 HB THR 9 5.706 6.658 5.033 57 HG1 THR 9 1HG THR 9 6.960 7.123 3.392 58 HG21 THR 9 3HG2 THR 9 5.729 9.342 6.225 59 HG22 THR 9 1HG2 THR 9 4.374 8.360 5.665 60 HG23 THR 9 2HG2 THR 9 5.311 9.310 4.512 61 H CYS 10 H CYS 10 7.799 5.009 7.298 62 HA CYS 10 HA CYS 10 5.350 4.688 8.880 63 HB2 CYS 10 1HB CYS 10 7.268 2.650 7.739 64 HB3 CYS 10 2HB CYS 10 5.981 2.243 8.872 65 H SER 11 H SER 11 5.598 5.167 10.946 66 HA SER 11 HA SER 11 8.014 4.210 12.319 67 HB2 SER 11 1HB SER 11 6.671 6.663 13.350 68 HB3 SER 11 2HB SER 11 8.379 6.214 13.384 69 HG SER 11 HG SER 11 8.022 6.476 10.915 70 H ILE 12 H ILE 12 6.278 2.434 12.418 71 HA ILE 12 HA ILE 12 4.695 2.814 14.877 72 HB ILE 12 HB ILE 12 3.818 1.171 12.482 73 HG12 ILE 12 2HG1 ILE 12 2.258 3.524 13.422 74 HG13 ILE 12 1HG1 ILE 12 3.747 3.856 12.540 75 HG21 ILE 12 1HG2 ILE 12 2.673 1.624 15.215 76 HG22 ILE 12 2HG2 ILE 12 1.614 1.265 13.852 77 HG23 ILE 12 3HG2 ILE 12 2.869 0.117 14.317 78 HD11 ILE 12 3HD1 ILE 12 2.292 3.796 10.807 79 HD12 ILE 12 1HD1 ILE 12 2.708 2.082 10.875 80 HD13 ILE 12 2HD1 ILE 12 1.208 2.657 11.605 81 H ASP 13 H ASP 13 5.153 0.036 12.765 82 HA ASP 13 HA ASP 13 6.958 -1.255 14.629 83 HB2 ASP 13 1HB ASP 13 4.441 -1.699 15.247 84 HB3 ASP 13 2HB ASP 13 4.487 -2.782 13.861 85 H ASP 14 H ASP 14 6.128 -3.878 13.240 86 HA ASP 14 HA ASP 14 7.765 -3.499 10.896 87 HB2 ASP 14 1HB ASP 14 7.758 -5.621 12.301 88 HB3 ASP 14 2HB ASP 14 6.202 -5.995 11.561 89 H TYR 15 H TYR 15 6.348 -1.881 9.983 90 HA TYR 15 HA TYR 15 4.233 -3.126 8.372 91 HB2 TYR 15 1HB TYR 15 4.201 -0.485 9.816 92 HB3 TYR 15 2HB TYR 15 3.154 -0.788 8.429 93 HD1 TYR 15 2HD TYR 15 1.674 -2.918 8.551 94 HD2 TYR 15 1HD TYR 15 3.483 -1.109 11.950 95 HE1 TYR 15 2HE TYR 15 0.051 -4.050 10.007 96 HE2 TYR 15 1HE TYR 15 1.865 -2.240 13.417 97 HH TYR 15 HH TYR 15 -0.075 -4.788 12.408 98 H LYS 16 H LYS 16 4.054 -2.369 6.230 99 HA LYS 16 HA LYS 16 6.545 -1.099 5.305 100 HB2 LYS 16 1HB LYS 16 4.743 -3.178 4.089 101 HB3 LYS 16 2HB LYS 16 5.839 -2.238 3.085 102 HG2 LYS 16 1HG LYS 16 7.476 -3.641 3.573 103 HG3 LYS 16 2HG LYS 16 7.332 -3.216 5.280 104 HD2 LYS 16 1HD LYS 16 5.335 -5.124 4.215 105 HD3 LYS 16 2HD LYS 16 6.993 -5.712 4.347 106 HE2 LYS 16 2HE LYS 16 5.491 -4.395 6.605 107 HE3 LYS 16 1HE LYS 16 5.557 -6.139 6.356 108 HZ1 LYS 16 3HZ LYS 16 7.684 -4.301 7.200 109 HZ2 LYS 16 1HZ LYS 16 8.113 -5.696 6.335 110 HZ3 LYS 16 2HZ LYS 16 7.277 -5.832 7.810 111 HA PRO 17 HA PRO 17 4.081 2.200 3.752 112 HB2 PRO 17 1HB PRO 17 6.078 2.960 1.842 113 HB3 PRO 17 2HB PRO 17 5.763 3.672 3.422 114 HG2 PRO 17 1HG PRO 17 8.035 2.250 2.750 115 HG3 PRO 17 2HG PRO 17 7.454 2.516 4.401 116 HD2 PRO 17 1HD PRO 17 7.194 0.107 2.661 117 HD3 PRO 17 2HD PRO 17 7.420 0.216 4.420 118 H TYR 18 H TYR 18 2.374 1.457 2.606 119 HA TYR 18 HA TYR 18 2.857 0.687 -0.192 120 HB2 TYR 18 1HB TYR 18 0.498 0.162 1.621 121 HB3 TYR 18 2HB TYR 18 0.548 -0.257 -0.086 122 HD1 TYR 18 2HD TYR 18 2.573 -1.795 -0.792 123 HD2 TYR 18 1HD TYR 18 1.094 -1.420 3.179 124 HE1 TYR 18 2HE TYR 18 3.558 -3.976 -0.224 125 HE2 TYR 18 1HE TYR 18 2.072 -3.599 3.756 126 HH TYR 18 HH TYR 18 2.724 -5.735 2.425 127 H CYS 19 H CYS 19 1.418 1.514 -1.789 128 HA CYS 19 HA CYS 19 0.323 4.147 -1.115 129 HB2 CYS 19 1HB CYS 19 1.923 4.110 -2.975 130 HB3 CYS 19 2HB CYS 19 0.936 2.915 -3.811 131 H CYS 20 H CYS 20 -1.621 3.516 -0.194 132 HA CYS 20 HA CYS 20 -3.328 1.644 -1.598 133 HB2 CYS 20 1HB CYS 20 -3.175 2.732 1.091 134 HB3 CYS 20 2HB CYS 20 -4.821 2.754 0.469 135 H GLN 21 H GLN 21 -4.520 2.265 -3.210 136 HA GLN 21 HA GLN 21 -5.356 4.993 -3.577 137 HB2 GLN 21 1HB GLN 21 -6.416 2.612 -5.085 138 HB3 GLN 21 2HB GLN 21 -6.284 4.277 -5.635 139 HG2 GLN 21 1HG GLN 21 -3.835 2.715 -4.944 140 HG3 GLN 21 2HG GLN 21 -4.619 2.510 -6.509 141 HE21 GLN 21 1HE2 GLN 21 -1.990 3.689 -5.652 142 HE22 GLN 21 2HE2 GLN 21 -1.949 5.245 -6.404 143 H SER 22 H SER 22 -6.993 5.846 -2.498 144 HA SER 22 HA SER 22 -8.941 4.213 -1.160 145 HB2 SER 22 1HB SER 22 -9.505 7.078 -1.266 146 HB3 SER 22 2HB SER 22 -9.222 6.038 0.131 147 HG SER 22 HG SER 22 -7.223 6.684 0.196 148 H MET 23 H MET 23 -9.836 3.191 -3.030 149 HA MET 23 HA MET 23 -11.265 4.757 -4.977 150 HB2 MET 23 1HB MET 23 -11.327 1.777 -4.462 151 HB3 MET 23 2HB MET 23 -11.980 2.589 -5.877 152 HG2 MET 23 1HG MET 23 -9.802 3.229 -6.601 153 HG3 MET 23 2HG MET 23 -9.079 2.657 -5.098 154 HE1 MET 23 3HE MET 23 -9.242 -1.049 -5.187 155 HE2 MET 23 1HE MET 23 -7.818 -0.014 -5.276 156 HE3 MET 23 2HE MET 23 -9.179 0.447 -4.254 157 H SER 24 H SER 24 -12.626 5.931 -3.509 158 HA SER 24 HA SER 24 -14.448 4.824 -1.724 159 HB2 SER 24 1HB SER 24 -15.141 7.250 -3.350 160 HB3 SER 24 2HB SER 24 -15.420 6.942 -1.634 161 HG SER 24 HG SER 24 -13.158 7.122 -1.304 162 H GLY 25 H GLY 25 -16.023 3.452 -2.042 163 HA2 GLY 25 1HA GLY 25 -18.182 3.068 -3.242 164 HA3 GLY 25 2HA GLY 25 -17.262 3.315 -4.725 165 H SER 26 H SER 26 -15.196 1.882 -2.698 166 HA SER 26 HA SER 26 -16.078 -0.866 -3.051 167 HB2 SER 26 1HB SER 26 -13.394 -0.933 -3.878 168 HB3 SER 26 2HB SER 26 -14.815 -1.207 -4.890 169 HG SER 26 HG SER 26 -13.767 1.375 -4.344 170 H ALA 27 H ALA 27 -15.478 -2.062 -1.328 171 HA ALA 27 HA ALA 27 -13.847 -0.797 0.719 172 HB1 ALA 27 1HB ALA 27 -15.756 -1.797 1.616 173 HB2 ALA 27 2HB ALA 27 -15.571 -3.249 0.632 174 HB3 ALA 27 3HB ALA 27 -14.470 -2.949 1.978 175 H SER 28 H SER 28 -12.371 -1.363 -1.530 176 HA SER 28 HA SER 28 -10.665 -3.583 -0.635 177 HB2 SER 28 1HB SER 28 -10.565 -2.795 -3.493 178 HB3 SER 28 2HB SER 28 -10.459 -4.397 -2.759 179 HG SER 28 HG SER 28 -12.756 -4.229 -2.370 180 H LEU 29 H LEU 29 -8.854 -2.803 0.173 181 HA LEU 29 HA LEU 29 -7.923 -0.163 -0.510 182 HB2 LEU 29 1HB LEU 29 -7.278 -2.218 1.520 183 HB3 LEU 29 2HB LEU 29 -5.950 -1.180 1.036 184 HG LEU 29 HG LEU 29 -6.764 -0.017 2.836 185 HD11 LEU 29 1HD1 LEU 29 -7.041 1.224 0.530 186 HD12 LEU 29 2HD1 LEU 29 -8.747 1.191 0.981 187 HD13 LEU 29 3HD1 LEU 29 -7.568 1.966 2.040 188 HD21 LEU 29 3HD2 LEU 29 -9.380 0.243 3.039 189 HD22 LEU 29 1HD2 LEU 29 -9.367 -1.246 2.097 190 HD23 LEU 29 2HD2 LEU 29 -8.548 -1.185 3.657 191 H GLY 30 H GLY 30 -7.005 0.017 -2.452 192 HA2 GLY 30 1HA GLY 30 -5.368 -2.104 -3.558 193 HA3 GLY 30 2HA GLY 30 -5.781 -0.580 -4.340 194 H CYS 31 H CYS 31 -3.633 -2.155 -2.075 195 HA CYS 31 HA CYS 31 -2.119 0.308 -1.710 196 HB2 CYS 31 1HB CYS 31 -2.544 -2.127 -0.166 197 HB3 CYS 31 2HB CYS 31 -0.845 -1.680 -0.260 198 H VAL 32 H VAL 32 -1.118 0.502 -3.692 199 HA VAL 32 HA VAL 32 0.416 -1.570 -4.890 200 HB VAL 32 HB VAL 32 1.070 1.311 -5.365 201 HG11 VAL 32 1HG1 VAL 32 0.952 -1.213 -6.958 202 HG12 VAL 32 2HG1 VAL 32 0.925 0.355 -7.761 203 HG13 VAL 32 3HG1 VAL 32 2.296 -0.090 -6.744 204 HG21 VAL 32 3HG2 VAL 32 -1.564 0.596 -5.231 205 HG22 VAL 32 1HG2 VAL 32 -0.921 1.909 -6.219 206 HG23 VAL 32 2HG2 VAL 32 -1.199 0.321 -6.935 207 H VAL 33 H VAL 33 2.655 -1.897 -4.851 208 HA VAL 33 HA VAL 33 3.865 -1.642 -2.345 209 HB VAL 33 HB VAL 33 5.310 -2.077 -4.964 210 HG11 VAL 33 1HG1 VAL 33 7.112 -2.145 -3.666 211 HG12 VAL 33 2HG1 VAL 33 6.138 -2.036 -2.203 212 HG13 VAL 33 3HG1 VAL 33 6.454 -3.610 -2.938 213 HG21 VAL 33 3HG2 VAL 33 5.041 -4.540 -4.261 214 HG22 VAL 33 1HG2 VAL 33 3.721 -3.956 -3.249 215 HG23 VAL 33 2HG2 VAL 33 3.659 -3.726 -4.996 216 H GLY 34 H GLY 34 4.590 0.126 -1.384 217 HA2 GLY 34 1HA GLY 34 5.408 2.434 -2.967 218 HA3 GLY 34 2HA GLY 34 5.152 2.397 -1.227 219 H VAL 35 H VAL 35 7.381 1.881 -3.806 220 HA VAL 35 HA VAL 35 9.466 0.862 -2.091 221 HB VAL 35 HB VAL 35 10.388 1.824 -4.676 222 HG11 VAL 35 1HG1 VAL 35 10.402 -0.713 -3.104 223 HG12 VAL 35 2HG1 VAL 35 10.869 -0.733 -4.806 224 HG13 VAL 35 3HG1 VAL 35 11.751 0.275 -3.660 225 HG21 VAL 35 3HG2 VAL 35 8.141 1.453 -5.438 226 HG22 VAL 35 1HG2 VAL 35 9.153 0.130 -6.015 227 HG23 VAL 35 2HG2 VAL 35 8.079 -0.117 -4.637 228 H ILE 36 H ILE 36 11.653 1.976 -2.198 229 HA ILE 36 HA ILE 36 11.368 4.454 -0.891 230 HB ILE 36 HB ILE 36 13.918 3.344 -2.052 231 HG12 ILE 36 2HG1 ILE 36 12.813 1.618 -0.718 232 HG13 ILE 36 1HG1 ILE 36 14.249 2.216 0.104 233 HG21 ILE 36 1HG2 ILE 36 14.442 4.546 0.382 234 HG22 ILE 36 2HG2 ILE 36 14.768 5.220 -1.213 235 HG23 ILE 36 3HG2 ILE 36 13.268 5.618 -0.378 236 HD11 ILE 36 3HD1 ILE 36 12.296 3.822 1.133 237 HD12 ILE 36 1HD1 ILE 36 11.453 2.285 0.921 238 HD13 ILE 36 2HD1 ILE 36 12.925 2.360 1.888 239 H GLY 37 H GLY 37 10.811 6.282 -1.856 240 HA2 GLY 37 1HA GLY 37 11.199 8.176 -3.144 241 HA3 GLY 37 2HA GLY 37 12.450 7.300 -4.016 242 H SER 38 H SER 38 9.278 5.946 -3.623 243 HA SER 38 HA SER 38 8.837 6.296 -6.495 244 HB2 SER 38 1HB SER 38 7.703 4.327 -4.506 245 HB3 SER 38 2HB SER 38 7.123 4.467 -6.168 246 HG SER 38 HG SER 38 9.659 4.303 -6.470 247 H GLN 39 H GLN 39 6.907 7.080 -7.311 248 HA GLN 39 HA GLN 39 5.547 8.954 -5.589 249 HB2 GLN 39 1HB GLN 39 6.164 9.495 -7.942 250 HB3 GLN 39 2HB GLN 39 5.006 8.287 -8.489 251 HG2 GLN 39 1HG GLN 39 3.457 9.860 -8.497 252 HG3 GLN 39 2HG GLN 39 3.588 9.943 -6.740 253 HE21 GLN 39 1HE2 GLN 39 3.662 11.728 -9.477 254 HE22 GLN 39 2HE2 GLN 39 4.584 13.084 -8.914 255 H CYS 40 H CYS 40 3.619 8.713 -4.655 256 HA CYS 40 HA CYS 40 2.226 6.181 -5.003 257 HB2 CYS 40 1HB CYS 40 2.642 6.879 -2.725 258 HB3 CYS 40 2HB CYS 40 1.863 8.430 -3.019 259 H GLY 41 H GLY 41 1.090 9.528 -4.614 260 HA2 GLY 41 1HA GLY 41 -0.326 10.661 -6.155 261 HA3 GLY 41 2HA GLY 41 -0.755 9.106 -6.857 262 H ALA 42 H ALA 42 -1.322 7.741 -4.451 263 HA ALA 42 HA ALA 42 -3.878 9.004 -3.802 264 HB1 ALA 42 1HB ALA 42 -3.038 6.307 -4.273 265 HB2 ALA 42 2HB ALA 42 -3.803 6.436 -2.690 266 HB3 ALA 42 3HB ALA 42 -4.668 6.963 -4.134 267 H SER 43 H SER 43 -2.571 6.608 -1.658 268 HA SER 43 HA SER 43 -1.873 8.661 0.309 269 HB2 SER 43 1HB SER 43 -3.359 6.610 1.648 270 HB3 SER 43 2HB SER 43 -3.707 8.335 1.554 271 HG SER 43 HG SER 43 -4.453 6.372 -0.372 272 H VAL 44 H VAL 44 -0.160 8.145 1.507 273 HA VAL 44 HA VAL 44 1.139 5.587 1.172 274 HB VAL 44 HB VAL 44 1.967 7.638 3.210 275 HG11 VAL 44 1HG1 VAL 44 3.719 5.991 1.422 276 HG12 VAL 44 2HG1 VAL 44 4.102 6.730 2.977 277 HG13 VAL 44 3HG1 VAL 44 3.035 5.327 2.906 278 HG21 VAL 44 3HG2 VAL 44 1.464 8.524 0.759 279 HG22 VAL 44 1HG2 VAL 44 2.854 9.086 1.687 280 HG23 VAL 44 2HG2 VAL 44 3.061 7.840 0.456 281 H LYS 45 H LYS 45 0.429 3.874 2.267 282 HA LYS 45 HA LYS 45 -0.569 4.290 5.011 283 HB2 LYS 45 1HB LYS 45 -1.503 2.237 2.994 284 HB3 LYS 45 2HB LYS 45 -2.097 2.403 4.643 285 HG2 LYS 45 1HG LYS 45 -2.570 4.883 3.782 286 HG3 LYS 45 2HG LYS 45 -2.670 4.027 2.242 287 HD2 LYS 45 1HD LYS 45 -4.869 4.154 3.237 288 HD3 LYS 45 2HD LYS 45 -4.313 2.479 3.253 289 HE2 LYS 45 2HE LYS 45 -5.349 3.012 5.366 290 HE3 LYS 45 1HE LYS 45 -3.618 2.760 5.600 291 HZ1 LYS 45 3HZ LYS 45 -3.466 5.290 5.371 292 HZ2 LYS 45 1HZ LYS 45 -4.088 4.656 6.817 293 HZ3 LYS 45 2HZ LYS 45 -5.138 5.288 5.648 294 H CYS 46 H CYS 46 0.227 3.017 6.583 295 HA CYS 46 HA CYS 46 2.423 1.245 5.819 296 HB2 CYS 46 1HB CYS 46 1.617 2.350 8.517 297 HB3 CYS 46 2HB CYS 46 3.012 1.314 8.230 298 H CYS 47 H CYS 47 1.132 -0.452 5.056 299 HA CYS 47 HA CYS 47 -0.395 -1.897 7.117 300 HB2 CYS 47 1HB CYS 47 -0.577 -2.455 4.168 301 HB3 CYS 47 2HB CYS 47 -1.758 -2.796 5.428 302 H LYS 48 H LYS 48 -0.468 -4.409 6.162 303 HA LYS 48 HA LYS 48 2.310 -5.179 5.592 304 HB2 LYS 48 1HB LYS 48 1.982 -5.504 7.984 305 HB3 LYS 48 2HB LYS 48 0.501 -6.401 7.688 306 HG2 LYS 48 1HG LYS 48 2.029 -8.012 6.358 307 HG3 LYS 48 2HG LYS 48 3.335 -7.237 7.256 308 HD2 LYS 48 1HD LYS 48 2.873 -8.456 9.053 309 HD3 LYS 48 2HD LYS 48 1.204 -7.889 9.049 310 HE2 LYS 48 2HE LYS 48 1.635 -9.838 6.968 311 HE3 LYS 48 1HE LYS 48 2.115 -10.479 8.537 312 HZ1 LYS 48 3HZ LYS 48 -0.171 -10.971 8.197 313 HZ2 LYS 48 1HZ LYS 48 -0.530 -9.363 7.800 314 HZ3 LYS 48 2HZ LYS 48 -0.087 -9.762 9.384 315 H ASP 49 H ASP 49 -0.956 -6.458 6.011 316 HA ASP 49 HA ASP 49 -2.156 -8.032 4.953 317 HB2 ASP 49 1HB ASP 49 -1.928 -6.142 3.189 318 HB3 ASP 49 2HB ASP 49 -0.836 -7.249 2.365 319 H ASP 50 H ASP 50 -1.082 -9.275 2.321 320 HA ASP 50 HA ASP 50 1.008 -10.960 3.528 321 HB2 ASP 50 1HB ASP 50 -1.364 -12.003 3.442 322 HB3 ASP 50 2HB ASP 50 -1.075 -12.140 1.710 323 H VAL 51 H VAL 51 2.750 -10.453 2.426 324 HA VAL 51 HA VAL 51 2.637 -9.606 -0.324 325 HB VAL 51 HB VAL 51 5.021 -9.256 -0.177 326 HG11 VAL 51 1HG1 VAL 51 3.316 -7.760 1.071 327 HG12 VAL 51 2HG1 VAL 51 4.049 -8.434 2.526 328 HG13 VAL 51 3HG1 VAL 51 5.039 -7.539 1.375 329 HG21 VAL 51 3HG2 VAL 51 5.864 -11.144 0.925 330 HG22 VAL 51 1HG2 VAL 51 6.166 -9.812 2.041 331 HG23 VAL 51 2HG2 VAL 51 4.813 -10.908 2.322 332 H THR 52 H THR 52 2.893 -12.644 1.194 333 HA THR 52 HA THR 52 4.390 -13.733 -1.083 334 HB THR 52 HB THR 52 5.588 -14.674 0.563 335 HG1 THR 52 1HG THR 52 5.039 -16.710 0.551 336 HG21 THR 52 3HG2 THR 52 4.394 -13.293 2.268 337 HG22 THR 52 1HG2 THR 52 4.965 -14.853 2.864 338 HG23 THR 52 2HG2 THR 52 3.261 -14.628 2.473 339 H ASN 53 H ASN 53 1.336 -13.953 0.628 340 HA ASN 53 HA ASN 53 0.390 -16.187 -0.932 341 HB2 ASN 53 1HB ASN 53 -0.623 -14.550 1.267 342 HB3 ASN 53 2HB ASN 53 -1.865 -14.948 0.083 343 HD21 ASN 53 1HD2 ASN 53 -0.790 -15.847 2.914 344 HD22 ASN 53 2HD2 ASN 53 -1.015 -17.569 2.845 345 H THR 54 H THR 54 -0.435 -12.716 -0.809 346 HA THR 54 HA THR 54 -2.053 -12.903 -3.174 347 HB THR 54 HB THR 54 -1.258 -10.218 -2.302 348 HG1 THR 54 1HG THR 54 -1.534 -10.522 -0.230 349 HG21 THR 54 3HG2 THR 54 -3.226 -10.982 -3.786 350 HG22 THR 54 1HG2 THR 54 -3.530 -9.742 -2.570 351 HG23 THR 54 2HG2 THR 54 -4.014 -11.412 -2.267 352 H GLY 55 H GLY 55 -0.302 -13.766 -4.524 353 HA2 GLY 55 1HA GLY 55 1.952 -12.179 -5.203 354 HA3 GLY 55 2HA GLY 55 1.346 -13.560 -6.105 355 H ASN 56 H ASN 56 1.557 -10.165 -5.930 356 HA ASN 56 HA ASN 56 0.643 -9.930 -8.638 357 HB2 ASN 56 1HB ASN 56 -1.408 -9.720 -6.962 358 HB3 ASN 56 2HB ASN 56 -0.788 -8.082 -6.778 359 HD21 ASN 56 1HD2 ASN 56 -0.323 -9.722 -9.784 360 HD22 ASN 56 2HD2 ASN 56 -1.502 -8.827 -10.689 361 H SER 57 H SER 57 0.753 -7.488 -9.281 362 HA SER 57 HA SER 57 3.348 -6.568 -8.471 363 HB2 SER 57 1HB SER 57 2.078 -4.612 -10.071 364 HB3 SER 57 2HB SER 57 3.278 -5.803 -10.576 365 HG SER 57 HG SER 57 0.994 -5.713 -11.568 366 H PHE 58 H PHE 58 0.242 -6.113 -7.325 367 HA PHE 58 HA PHE 58 1.178 -4.116 -5.468 368 HB2 PHE 58 1HB PHE 58 -0.341 -2.428 -5.925 369 HB3 PHE 58 2HB PHE 58 0.061 -2.981 -7.542 370 HD1 PHE 58 2HD PHE 58 -1.552 -4.706 -8.608 371 HD2 PHE 58 1HD PHE 58 -2.539 -2.274 -5.259 372 HE1 PHE 58 2HE PHE 58 -3.943 -5.031 -9.083 373 HE2 PHE 58 1HE PHE 58 -4.929 -2.592 -5.725 374 HZ PHE 58 HZ PHE 58 -5.638 -3.976 -7.642 375 H LEU 59 H LEU 59 -0.189 -4.008 -3.565 376 HA LEU 59 HA LEU 59 -1.431 -6.629 -3.184 377 HB2 LEU 59 1HB LEU 59 -0.157 -4.689 -1.273 378 HB3 LEU 59 2HB LEU 59 -1.095 -6.066 -0.726 379 HG LEU 59 HG LEU 59 1.517 -6.091 -2.224 380 HD11 LEU 59 1HD1 LEU 59 2.095 -7.571 -0.239 381 HD12 LEU 59 2HD1 LEU 59 1.889 -5.847 0.075 382 HD13 LEU 59 3HD1 LEU 59 0.602 -6.977 0.492 383 HD21 LEU 59 3HD2 LEU 59 1.322 -8.315 -2.727 384 HD22 LEU 59 1HD2 LEU 59 0.152 -8.615 -1.442 385 HD23 LEU 59 2HD2 LEU 59 -0.358 -7.811 -2.926 386 H ILE 60 H ILE 60 -3.558 -6.634 -3.308 387 HA ILE 60 HA ILE 60 -5.146 -4.377 -2.445 388 HB ILE 60 HB ILE 60 -6.240 -7.124 -3.013 389 HG12 ILE 60 2HG1 ILE 60 -6.192 -5.194 -5.248 390 HG13 ILE 60 1HG1 ILE 60 -4.628 -5.886 -4.825 391 HG21 ILE 60 1HG2 ILE 60 -7.405 -4.387 -3.500 392 HG22 ILE 60 2HG2 ILE 60 -8.233 -5.939 -3.638 393 HG23 ILE 60 3HG2 ILE 60 -7.704 -5.358 -2.058 394 HD11 ILE 60 3HD1 ILE 60 -7.107 -7.320 -5.718 395 HD12 ILE 60 1HD1 ILE 60 -5.536 -7.249 -6.514 396 HD13 ILE 60 2HD1 ILE 60 -5.722 -8.149 -5.008 397 H ILE 61 H ILE 61 -5.429 -4.024 -0.338 398 HA ILE 61 HA ILE 61 -4.713 -6.044 1.579 399 HB ILE 61 HB ILE 61 -6.000 -3.426 2.298 400 HG12 ILE 61 2HG1 ILE 61 -4.265 -2.930 0.620 401 HG13 ILE 61 1HG1 ILE 61 -3.821 -2.330 2.214 402 HG21 ILE 61 1HG2 ILE 61 -5.625 -4.395 4.291 403 HG22 ILE 61 2HG2 ILE 61 -4.390 -5.483 3.653 404 HG23 ILE 61 3HG2 ILE 61 -3.978 -3.813 4.046 405 HD11 ILE 61 3HD1 ILE 61 -2.006 -3.427 0.849 406 HD12 ILE 61 1HD1 ILE 61 -2.207 -4.008 2.503 407 HD13 ILE 61 2HD1 ILE 61 -2.835 -4.954 1.153 408 H ASN 62 H ASN 62 -5.985 -7.249 2.821 409 HA ASN 62 HA ASN 62 -8.802 -7.406 2.221 410 HB2 ASN 62 1HB ASN 62 -7.225 -9.366 2.738 411 HB3 ASN 62 2HB ASN 62 -7.372 -8.887 4.426 412 HD21 ASN 62 1HD2 ASN 62 -8.669 -10.229 5.413 413 HD22 ASN 62 2HD2 ASN 62 -10.187 -10.817 4.814 414 H ALA 63 H ALA 63 -8.147 -4.922 3.265 415 HA ALA 63 HA ALA 63 -8.830 -3.346 4.733 416 HB1 ALA 63 1HB ALA 63 -11.010 -4.615 4.435 417 HB2 ALA 63 2HB ALA 63 -10.662 -5.365 5.993 418 HB3 ALA 63 3HB ALA 63 -10.860 -3.614 5.880 419 H ALA 64 H ALA 64 -9.071 -6.250 6.769 420 HA ALA 64 HA ALA 64 -7.853 -4.844 8.969 421 HB1 ALA 64 1HB ALA 64 -9.492 -7.181 8.612 422 HB2 ALA 64 2HB ALA 64 -8.126 -7.530 9.672 423 HB3 ALA 64 3HB ALA 64 -9.222 -6.206 10.057 424 H ASN 65 H ASN 65 -5.908 -4.746 7.263 425 HA ASN 65 HA ASN 65 -3.894 -6.349 8.606 426 HB2 ASN 65 1HB ASN 65 -4.760 -7.179 6.106 427 HB3 ASN 65 2HB ASN 65 -3.296 -6.258 5.760 428 HD21 ASN 65 1HD2 ASN 65 -4.157 -9.213 5.957 429 HD22 ASN 65 2HD2 ASN 65 -2.853 -9.939 6.826 430 H CYS 66 H CYS 66 -4.880 -3.595 8.322 431 HA CYS 66 HA CYS 66 -2.274 -2.320 7.934 432 HB2 CYS 66 1HB CYS 66 -3.955 -1.957 5.981 433 HB3 CYS 66 2HB CYS 66 -4.809 -0.919 7.117 434 H VAL 67 H VAL 67 -2.197 -0.178 9.101 435 HA VAL 67 HA VAL 67 -3.369 -0.528 11.712 436 HB VAL 67 HB VAL 67 -1.819 1.906 10.864 437 HG11 VAL 67 1HG1 VAL 67 -1.578 0.519 13.491 438 HG12 VAL 67 2HG1 VAL 67 -1.398 2.228 13.096 439 HG13 VAL 67 3HG1 VAL 67 -3.003 1.503 13.163 440 HG21 VAL 67 3HG2 VAL 67 -0.027 0.114 12.050 441 HG22 VAL 67 1HG2 VAL 67 -0.883 -0.809 10.813 442 HG23 VAL 67 2HG2 VAL 67 -0.040 0.678 10.380 443 H ALA 68 H ALA 68 -3.155 2.496 9.870 444 HA ALA 68 HA ALA 68 -6.023 2.862 9.937 445 HB1 ALA 68 1HB ALA 68 -4.528 5.124 11.142 446 HB2 ALA 68 2HB ALA 68 -6.167 4.551 11.461 447 HB3 ALA 68 3HB ALA 68 -4.785 3.701 12.151 Start of MODEL 6 1 H1 SER 1 1H SER 1 1.379 17.135 -7.986 2 H2 SER 1 2H SER 1 2.269 16.205 -6.886 3 H3 SER 1 3H SER 1 1.327 17.502 -6.332 4 HA SER 1 HA SER 1 -0.496 16.293 -6.210 5 HB2 SER 1 1HB SER 1 -0.343 14.540 -8.489 6 HB3 SER 1 2HB SER 1 -1.468 15.865 -8.182 7 HG SER 1 HG SER 1 -0.414 16.565 -9.930 8 H ALA 2 H ALA 2 2.390 14.526 -7.216 9 HA ALA 2 HA ALA 2 1.488 12.137 -5.805 10 HB1 ALA 2 1HB ALA 2 3.655 12.753 -7.745 11 HB2 ALA 2 2HB ALA 2 3.890 11.406 -6.630 12 HB3 ALA 2 3HB ALA 2 2.502 11.417 -7.719 13 H THR 3 H THR 3 2.540 11.286 -4.008 14 HA THR 3 HA THR 3 3.963 13.252 -2.414 15 HB THR 3 HB THR 3 3.703 10.770 -1.046 16 HG1 THR 3 1HG THR 3 1.129 11.210 -1.396 17 HG21 THR 3 3HG2 THR 3 2.850 12.091 0.584 18 HG22 THR 3 1HG2 THR 3 1.750 12.921 -0.517 19 HG23 THR 3 2HG2 THR 3 3.450 13.388 -0.449 20 H THR 4 H THR 4 6.066 13.213 -1.987 21 HA THR 4 HA THR 4 7.786 11.239 -3.189 22 HB THR 4 HB THR 4 8.626 13.380 -1.236 23 HG1 THR 4 1HG THR 4 8.628 14.848 -2.887 24 HG21 THR 4 3HG2 THR 4 10.095 11.460 -2.460 25 HG22 THR 4 1HG2 THR 4 10.730 13.028 -1.961 26 HG23 THR 4 2HG2 THR 4 10.223 12.775 -3.631 27 H ILE 5 H ILE 5 7.817 9.267 -2.214 28 HA ILE 5 HA ILE 5 7.952 9.234 0.725 29 HB ILE 5 HB ILE 5 6.695 7.366 0.843 30 HG12 ILE 5 2HG1 ILE 5 7.281 6.289 -1.879 31 HG13 ILE 5 1HG1 ILE 5 8.526 6.178 -0.639 32 HG21 ILE 5 1HG2 ILE 5 5.973 8.622 -1.761 33 HG22 ILE 5 2HG2 ILE 5 5.133 7.166 -1.226 34 HG23 ILE 5 3HG2 ILE 5 5.102 8.621 -0.228 35 HD11 ILE 5 3HD1 ILE 5 7.526 4.435 0.269 36 HD12 ILE 5 1HD1 ILE 5 6.019 5.333 0.436 37 HD13 ILE 5 2HD1 ILE 5 6.363 4.459 -1.056 38 H GLY 6 H GLY 6 9.338 7.709 1.749 39 HA2 GLY 6 1HA GLY 6 11.398 6.403 0.203 40 HA3 GLY 6 2HA GLY 6 11.956 7.814 1.092 41 HA PRO 7 HA PRO 7 12.272 4.392 4.079 42 HB2 PRO 7 1HB PRO 7 14.738 4.878 4.946 43 HB3 PRO 7 2HB PRO 7 14.465 4.195 3.337 44 HG2 PRO 7 1HG PRO 7 15.141 6.995 4.116 45 HG3 PRO 7 2HG PRO 7 15.709 6.047 2.731 46 HD2 PRO 7 1HD PRO 7 13.646 7.935 2.684 47 HD3 PRO 7 2HD PRO 7 13.953 6.702 1.446 48 H ASN 8 H ASN 8 11.280 7.328 4.505 49 HA ASN 8 HA ASN 8 11.327 7.096 7.395 50 HB2 ASN 8 1HB ASN 8 12.349 9.105 7.920 51 HB3 ASN 8 2HB ASN 8 13.306 8.570 6.548 52 HD21 ASN 8 1HD2 ASN 8 12.247 11.219 7.853 53 HD22 ASN 8 2HD2 ASN 8 11.871 12.178 6.463 54 H THR 9 H THR 9 9.407 7.062 5.052 55 HA THR 9 HA THR 9 7.648 9.296 5.731 56 HB THR 9 HB THR 9 6.860 7.188 3.767 57 HG1 THR 9 1HG THR 9 8.707 9.280 3.179 58 HG21 THR 9 3HG2 THR 9 6.649 10.199 3.750 59 HG22 THR 9 1HG2 THR 9 5.379 9.098 4.280 60 HG23 THR 9 2HG2 THR 9 5.905 9.092 2.596 61 H CYS 10 H CYS 10 7.929 5.838 6.137 62 HA CYS 10 HA CYS 10 5.658 5.933 7.992 63 HB2 CYS 10 1HB CYS 10 5.629 4.570 5.495 64 HB3 CYS 10 2HB CYS 10 5.724 3.348 6.758 65 H SER 11 H SER 11 8.196 6.186 8.790 66 HA SER 11 HA SER 11 9.485 3.675 9.292 67 HB2 SER 11 1HB SER 11 10.537 5.774 10.916 68 HB3 SER 11 2HB SER 11 11.244 5.042 9.476 69 HG SER 11 HG SER 11 10.183 7.481 9.757 70 H ILE 12 H ILE 12 7.238 3.071 10.362 71 HA ILE 12 HA ILE 12 7.302 3.710 13.223 72 HB ILE 12 HB ILE 12 5.229 1.998 11.848 73 HG12 ILE 12 2HG1 ILE 12 5.028 4.982 12.314 74 HG13 ILE 12 1HG1 ILE 12 5.463 4.275 10.762 75 HG21 ILE 12 1HG2 ILE 12 4.099 3.484 13.912 76 HG22 ILE 12 2HG2 ILE 12 4.531 1.775 13.954 77 HG23 ILE 12 3HG2 ILE 12 5.674 2.990 14.531 78 HD11 ILE 12 3HD1 ILE 12 2.854 4.063 12.229 79 HD12 ILE 12 1HD1 ILE 12 3.172 4.774 10.647 80 HD13 ILE 12 2HD1 ILE 12 3.273 3.026 10.863 81 H ASP 13 H ASP 13 6.145 0.698 11.894 82 HA ASP 13 HA ASP 13 8.286 -0.728 13.327 83 HB2 ASP 13 1HB ASP 13 5.830 -0.991 14.074 84 HB3 ASP 13 2HB ASP 13 5.612 -1.917 12.595 85 H ASP 14 H ASP 14 7.134 -3.218 11.895 86 HA ASP 14 HA ASP 14 8.672 -2.924 9.451 87 HB2 ASP 14 1HB ASP 14 8.576 -5.029 10.958 88 HB3 ASP 14 2HB ASP 14 7.035 -5.344 10.167 89 H TYR 15 H TYR 15 6.054 -1.566 10.084 90 HA TYR 15 HA TYR 15 4.237 -2.527 8.082 91 HB2 TYR 15 1HB TYR 15 4.285 0.000 9.742 92 HB3 TYR 15 2HB TYR 15 3.006 -0.391 8.597 93 HD1 TYR 15 1HD TYR 15 1.974 -2.827 8.945 94 HD2 TYR 15 2HD TYR 15 3.931 -0.553 11.961 95 HE1 TYR 15 1HE TYR 15 0.824 -4.143 10.672 96 HE2 TYR 15 2HE TYR 15 2.783 -1.865 13.700 97 HH TYR 15 HH TYR 15 1.254 -4.772 13.101 98 H LYS 16 H LYS 16 3.936 -1.708 6.049 99 HA LYS 16 HA LYS 16 6.200 -0.093 5.093 100 HB2 LYS 16 1HB LYS 16 4.831 -2.461 4.078 101 HB3 LYS 16 2HB LYS 16 4.978 -1.196 2.864 102 HG2 LYS 16 1HG LYS 16 6.998 -2.048 2.474 103 HG3 LYS 16 2HG LYS 16 7.482 -1.242 3.967 104 HD2 LYS 16 1HD LYS 16 6.436 -3.526 4.960 105 HD3 LYS 16 2HD LYS 16 7.050 -4.107 3.412 106 HE2 LYS 16 2HE LYS 16 9.049 -4.260 4.378 107 HE3 LYS 16 1HE LYS 16 9.082 -2.498 4.401 108 HZ1 LYS 16 3HZ LYS 16 8.859 -2.469 6.602 109 HZ2 LYS 16 1HZ LYS 16 9.185 -4.134 6.585 110 HZ3 LYS 16 2HZ LYS 16 7.586 -3.584 6.581 111 HA PRO 17 HA PRO 17 3.358 3.061 3.801 112 HB2 PRO 17 1HB PRO 17 4.792 4.225 1.815 113 HB3 PRO 17 2HB PRO 17 5.207 4.413 3.522 114 HG2 PRO 17 1HG PRO 17 6.429 2.643 1.454 115 HG3 PRO 17 2HG PRO 17 7.213 3.551 2.759 116 HD2 PRO 17 1HD PRO 17 6.668 0.858 2.856 117 HD3 PRO 17 2HD PRO 17 6.847 1.891 4.285 118 H TYR 18 H TYR 18 1.619 2.145 2.916 119 HA TYR 18 HA TYR 18 1.784 1.065 0.188 120 HB2 TYR 18 1HB TYR 18 -0.129 0.575 2.472 121 HB3 TYR 18 2HB TYR 18 -0.496 0.083 0.824 122 HD1 TYR 18 2HD TYR 18 1.470 -1.333 -0.327 123 HD2 TYR 18 1HD TYR 18 0.828 -0.969 3.860 124 HE1 TYR 18 2HE TYR 18 2.702 -3.433 0.039 125 HE2 TYR 18 1HE TYR 18 2.056 -3.061 4.236 126 HH TYR 18 HH TYR 18 2.664 -5.084 3.022 127 H CYS 19 H CYS 19 0.990 2.304 -1.387 128 HA CYS 19 HA CYS 19 -0.707 4.566 -0.626 129 HB2 CYS 19 1HB CYS 19 0.845 4.068 -3.174 130 HB3 CYS 19 2HB CYS 19 -0.037 5.540 -2.777 131 H CYS 20 H CYS 20 -2.765 3.985 -0.645 132 HA CYS 20 HA CYS 20 -3.802 2.572 -3.010 133 HB2 CYS 20 1HB CYS 20 -5.387 2.041 -0.658 134 HB3 CYS 20 2HB CYS 20 -4.612 0.901 -1.752 135 H GLN 21 H GLN 21 -6.284 2.703 -3.000 136 HA GLN 21 HA GLN 21 -7.127 5.425 -2.264 137 HB2 GLN 21 1HB GLN 21 -8.880 3.988 -4.114 138 HB3 GLN 21 2HB GLN 21 -8.210 5.607 -4.238 139 HG2 GLN 21 1HG GLN 21 -6.311 3.406 -4.706 140 HG3 GLN 21 2HG GLN 21 -7.593 3.581 -5.904 141 HE21 GLN 21 1HE2 GLN 21 -6.417 4.360 -7.573 142 HE22 GLN 21 2HE2 GLN 21 -5.561 5.865 -7.536 143 H SER 22 H SER 22 -9.177 5.658 -1.244 144 HA SER 22 HA SER 22 -9.792 3.439 0.475 145 HB2 SER 22 1HB SER 22 -11.565 5.812 0.487 146 HB3 SER 22 2HB SER 22 -10.786 4.979 1.832 147 HG SER 22 HG SER 22 -9.810 6.960 1.638 148 H MET 23 H MET 23 -11.178 1.892 0.014 149 HA MET 23 HA MET 23 -13.031 2.099 -2.179 150 HB2 MET 23 1HB MET 23 -11.919 -0.015 -0.505 151 HB3 MET 23 2HB MET 23 -13.636 -0.233 -0.805 152 HG2 MET 23 1HG MET 23 -12.727 -1.372 -2.566 153 HG3 MET 23 2HG MET 23 -12.986 0.217 -3.283 154 HE1 MET 23 3HE MET 23 -9.990 0.499 -5.119 155 HE2 MET 23 1HE MET 23 -10.616 -1.149 -5.161 156 HE3 MET 23 2HE MET 23 -11.730 0.213 -5.047 157 H SER 24 H SER 24 -15.101 0.454 -1.030 158 HA SER 24 HA SER 24 -16.739 2.497 0.113 159 HB2 SER 24 1HB SER 24 -17.936 -0.091 0.341 160 HB3 SER 24 2HB SER 24 -18.317 1.196 -0.806 161 HG SER 24 HG SER 24 -17.263 -1.127 -1.364 162 H GLY 25 H GLY 25 -15.168 2.760 1.968 163 HA2 GLY 25 1HA GLY 25 -15.001 2.733 4.262 164 HA3 GLY 25 2HA GLY 25 -16.329 1.583 4.304 165 H SER 26 H SER 26 -15.862 -0.658 4.035 166 HA SER 26 HA SER 26 -13.060 -1.366 4.575 167 HB2 SER 26 1HB SER 26 -14.958 -3.140 5.889 168 HB3 SER 26 2HB SER 26 -13.563 -2.297 6.565 169 HG SER 26 HG SER 26 -15.197 -0.393 6.267 170 H ALA 27 H ALA 27 -12.339 -2.732 3.104 171 HA ALA 27 HA ALA 27 -13.765 -5.036 2.236 172 HB1 ALA 27 1HB ALA 27 -13.281 -3.053 0.034 173 HB2 ALA 27 2HB ALA 27 -14.293 -4.498 0.025 174 HB3 ALA 27 3HB ALA 27 -14.805 -3.069 0.923 175 H SER 28 H SER 28 -12.479 -5.932 0.172 176 HA SER 28 HA SER 28 -9.691 -5.952 0.847 177 HB2 SER 28 1HB SER 28 -10.354 -7.034 -1.778 178 HB3 SER 28 2HB SER 28 -9.679 -7.853 -0.367 179 HG SER 28 HG SER 28 -11.870 -7.881 0.482 180 H LEU 29 H LEU 29 -9.172 -3.741 0.644 181 HA LEU 29 HA LEU 29 -9.781 -2.257 -1.710 182 HB2 LEU 29 1HB LEU 29 -8.303 -0.518 -0.657 183 HB3 LEU 29 2HB LEU 29 -9.681 -1.029 0.295 184 HG LEU 29 HG LEU 29 -7.392 -2.626 0.987 185 HD11 LEU 29 1HD1 LEU 29 -7.030 0.359 1.125 186 HD12 LEU 29 2HD1 LEU 29 -6.054 -0.813 2.010 187 HD13 LEU 29 3HD1 LEU 29 -6.025 -0.795 0.246 188 HD21 LEU 29 3HD2 LEU 29 -7.884 -1.497 3.225 189 HD22 LEU 29 1HD2 LEU 29 -9.224 -0.710 2.391 190 HD23 LEU 29 2HD2 LEU 29 -9.171 -2.470 2.505 191 H GLY 30 H GLY 30 -8.524 -1.638 -3.377 192 HA2 GLY 30 1HA GLY 30 -6.186 -3.262 -3.913 193 HA3 GLY 30 2HA GLY 30 -6.959 -2.139 -5.026 194 H CYS 31 H CYS 31 -4.179 -2.674 -3.499 195 HA CYS 31 HA CYS 31 -3.636 0.190 -3.099 196 HB2 CYS 31 1HB CYS 31 -3.826 -1.232 -0.999 197 HB3 CYS 31 2HB CYS 31 -2.358 -2.045 -1.534 198 H VAL 32 H VAL 32 -1.393 0.818 -3.394 199 HA VAL 32 HA VAL 32 0.194 -1.089 -4.985 200 HB VAL 32 HB VAL 32 0.579 1.851 -5.366 201 HG11 VAL 32 1HG1 VAL 32 0.845 -0.551 -7.172 202 HG12 VAL 32 2HG1 VAL 32 1.214 1.113 -7.630 203 HG13 VAL 32 3HG1 VAL 32 2.155 0.317 -6.369 204 HG21 VAL 32 3HG2 VAL 32 -1.327 2.258 -6.445 205 HG22 VAL 32 1HG2 VAL 32 -1.202 0.764 -7.372 206 HG23 VAL 32 2HG2 VAL 32 -1.938 0.748 -5.771 207 H VAL 33 H VAL 33 2.190 -1.465 -4.202 208 HA VAL 33 HA VAL 33 2.985 -0.349 -1.728 209 HB VAL 33 HB VAL 33 3.732 -2.559 -2.261 210 HG11 VAL 33 1HG1 VAL 33 5.484 -2.867 -4.089 211 HG12 VAL 33 2HG1 VAL 33 3.807 -2.666 -4.592 212 HG13 VAL 33 3HG1 VAL 33 4.934 -1.313 -4.712 213 HG21 VAL 33 3HG2 VAL 33 6.408 -1.654 -2.483 214 HG22 VAL 33 1HG2 VAL 33 5.518 -0.483 -1.508 215 HG23 VAL 33 2HG2 VAL 33 5.541 -2.184 -1.042 216 H GLY 34 H GLY 34 4.045 1.477 -1.293 217 HA2 GLY 34 1HA GLY 34 4.489 3.395 -3.314 218 HA3 GLY 34 2HA GLY 34 4.999 3.533 -1.639 219 H VAL 35 H VAL 35 6.712 1.357 -1.495 220 HA VAL 35 HA VAL 35 8.829 0.639 -1.912 221 HB VAL 35 HB VAL 35 8.744 2.092 -4.561 222 HG11 VAL 35 1HG1 VAL 35 10.360 0.257 -5.190 223 HG12 VAL 35 2HG1 VAL 35 10.961 1.464 -4.054 224 HG13 VAL 35 3HG1 VAL 35 10.459 -0.123 -3.470 225 HG21 VAL 35 3HG2 VAL 35 7.851 -0.714 -3.911 226 HG22 VAL 35 1HG2 VAL 35 6.846 0.608 -4.506 227 HG23 VAL 35 2HG2 VAL 35 8.092 -0.090 -5.542 228 H ILE 36 H ILE 36 10.980 1.427 -1.730 229 HA ILE 36 HA ILE 36 11.049 3.978 -0.440 230 HB ILE 36 HB ILE 36 13.439 2.266 -1.101 231 HG12 ILE 36 2HG1 ILE 36 11.679 0.892 -0.009 232 HG13 ILE 36 1HG1 ILE 36 13.105 1.089 1.002 233 HG21 ILE 36 1HG2 ILE 36 12.897 4.237 1.119 234 HG22 ILE 36 2HG2 ILE 36 14.366 3.279 0.932 235 HG23 ILE 36 3HG2 ILE 36 13.945 4.489 -0.278 236 HD11 ILE 36 3HD1 ILE 36 11.897 2.903 2.213 237 HD12 ILE 36 1HD1 ILE 36 10.456 2.479 1.288 238 HD13 ILE 36 2HD1 ILE 36 11.182 1.300 2.382 239 H GLY 37 H GLY 37 11.093 5.799 -1.586 240 HA2 GLY 37 1HA GLY 37 12.272 7.431 -2.785 241 HA3 GLY 37 2HA GLY 37 13.262 6.165 -3.496 242 H SER 38 H SER 38 9.776 6.918 -3.407 243 HA SER 38 HA SER 38 9.785 6.999 -6.327 244 HB2 SER 38 1HB SER 38 7.493 5.538 -5.169 245 HB3 SER 38 2HB SER 38 8.392 5.236 -6.653 246 HG SER 38 HG SER 38 8.586 3.974 -4.341 247 H GLN 39 H GLN 39 7.701 7.795 -7.207 248 HA GLN 39 HA GLN 39 6.628 9.904 -5.470 249 HB2 GLN 39 1HB GLN 39 6.806 9.559 -8.453 250 HB3 GLN 39 2HB GLN 39 5.685 10.714 -7.745 251 HG2 GLN 39 1HG GLN 39 8.661 10.700 -7.286 252 HG3 GLN 39 2HG GLN 39 7.813 11.732 -8.439 253 HE21 GLN 39 1HE2 GLN 39 9.275 11.867 -5.624 254 HE22 GLN 39 2HE2 GLN 39 8.313 13.057 -4.797 255 H CYS 40 H CYS 40 5.016 8.925 -4.332 256 HA CYS 40 HA CYS 40 3.300 6.947 -5.500 257 HB2 CYS 40 1HB CYS 40 3.829 8.032 -2.858 258 HB3 CYS 40 2HB CYS 40 2.106 7.789 -3.132 259 H GLY 41 H GLY 41 1.662 7.368 -6.791 260 HA2 GLY 41 1HA GLY 41 0.438 10.025 -6.757 261 HA3 GLY 41 2HA GLY 41 0.201 8.784 -7.980 262 H ALA 42 H ALA 42 -0.089 8.382 -4.494 263 HA ALA 42 HA ALA 42 -2.968 8.352 -4.562 264 HB1 ALA 42 1HB ALA 42 -1.555 5.771 -3.908 265 HB2 ALA 42 2HB ALA 42 -3.292 6.051 -4.013 266 HB3 ALA 42 3HB ALA 42 -2.301 6.110 -5.470 267 H SER 43 H SER 43 -3.704 7.350 -2.294 268 HA SER 43 HA SER 43 -2.515 9.072 -0.348 269 HB2 SER 43 1HB SER 43 -4.345 7.129 0.758 270 HB3 SER 43 2HB SER 43 -4.539 8.875 0.590 271 HG SER 43 HG SER 43 -5.342 6.804 -1.121 272 H VAL 44 H VAL 44 -0.903 8.605 1.013 273 HA VAL 44 HA VAL 44 0.250 5.955 1.000 274 HB VAL 44 HB VAL 44 1.195 8.264 2.688 275 HG11 VAL 44 1HG1 VAL 44 2.262 6.164 3.169 276 HG12 VAL 44 2HG1 VAL 44 2.571 5.881 1.456 277 HG13 VAL 44 3HG1 VAL 44 3.398 7.193 2.298 278 HG21 VAL 44 3HG2 VAL 44 1.870 9.437 0.926 279 HG22 VAL 44 1HG2 VAL 44 2.611 8.015 0.191 280 HG23 VAL 44 2HG2 VAL 44 0.904 8.361 -0.084 281 H LYS 45 H LYS 45 -0.522 4.437 2.284 282 HA LYS 45 HA LYS 45 -1.396 5.159 5.005 283 HB2 LYS 45 1HB LYS 45 -2.037 2.656 3.427 284 HB3 LYS 45 2HB LYS 45 -2.692 3.097 4.997 285 HG2 LYS 45 1HG LYS 45 -3.221 5.221 3.188 286 HG3 LYS 45 2HG LYS 45 -3.702 3.702 2.426 287 HD2 LYS 45 1HD LYS 45 -5.568 4.605 3.665 288 HD3 LYS 45 2HD LYS 45 -4.995 3.140 4.465 289 HE2 LYS 45 2HE LYS 45 -3.964 4.359 6.190 290 HE3 LYS 45 1HE LYS 45 -4.047 5.868 5.282 291 HZ1 LYS 45 3HZ LYS 45 -6.038 6.300 6.111 292 HZ2 LYS 45 1HZ LYS 45 -5.828 4.993 7.178 293 HZ3 LYS 45 2HZ LYS 45 -6.640 4.768 5.704 294 H CYS 46 H CYS 46 -1.122 3.057 6.477 295 HA CYS 46 HA CYS 46 1.540 1.919 5.992 296 HB2 CYS 46 1HB CYS 46 1.013 3.867 7.922 297 HB3 CYS 46 2HB CYS 46 1.042 2.352 8.820 298 H CYS 47 H CYS 47 0.833 -0.081 5.485 299 HA CYS 47 HA CYS 47 -0.682 -1.503 7.573 300 HB2 CYS 47 1HB CYS 47 -0.870 -2.359 4.708 301 HB3 CYS 47 2HB CYS 47 -2.023 -2.588 6.015 302 H LYS 48 H LYS 48 -0.443 -4.046 6.962 303 HA LYS 48 HA LYS 48 2.443 -4.492 6.555 304 HB2 LYS 48 1HB LYS 48 0.937 -5.081 8.804 305 HB3 LYS 48 2HB LYS 48 1.024 -6.621 7.960 306 HG2 LYS 48 1HG LYS 48 3.483 -4.989 8.457 307 HG3 LYS 48 2HG LYS 48 2.828 -6.063 9.694 308 HD2 LYS 48 1HD LYS 48 3.499 -7.915 8.614 309 HD3 LYS 48 2HD LYS 48 3.094 -7.260 7.026 310 HE2 LYS 48 2HE LYS 48 5.259 -6.913 6.663 311 HE3 LYS 48 1HE LYS 48 5.265 -5.745 7.985 312 HZ1 LYS 48 3HZ LYS 48 6.930 -7.343 8.441 313 HZ2 LYS 48 1HZ LYS 48 5.881 -8.640 8.125 314 HZ3 LYS 48 2HZ LYS 48 5.648 -7.674 9.503 315 H ASP 49 H ASP 49 -0.654 -6.218 6.434 316 HA ASP 49 HA ASP 49 -1.359 -8.004 5.251 317 HB2 ASP 49 1HB ASP 49 -1.081 -6.055 3.475 318 HB3 ASP 49 2HB ASP 49 0.169 -7.120 2.835 319 H ASP 50 H ASP 50 0.411 -8.967 2.859 320 HA ASP 50 HA ASP 50 2.819 -9.856 4.162 321 HB2 ASP 50 1HB ASP 50 0.926 -11.452 4.904 322 HB3 ASP 50 2HB ASP 50 0.985 -12.063 3.253 323 H VAL 51 H VAL 51 3.959 -8.997 2.504 324 HA VAL 51 HA VAL 51 3.392 -9.612 -0.240 325 HB VAL 51 HB VAL 51 6.068 -8.595 0.654 326 HG11 VAL 51 1HG1 VAL 51 4.355 -7.757 -1.674 327 HG12 VAL 51 2HG1 VAL 51 6.079 -7.471 -1.431 328 HG13 VAL 51 3HG1 VAL 51 5.491 -9.103 -1.750 329 HG21 VAL 51 3HG2 VAL 51 5.150 -6.880 1.741 330 HG22 VAL 51 1HG2 VAL 51 4.514 -6.335 0.189 331 HG23 VAL 51 2HG2 VAL 51 3.525 -7.349 1.241 332 H THR 52 H THR 52 3.342 -11.999 0.471 333 HA THR 52 HA THR 52 5.908 -13.312 0.615 334 HB THR 52 HB THR 52 3.820 -15.139 -0.044 335 HG1 THR 52 1HG THR 52 2.962 -13.858 2.263 336 HG21 THR 52 3HG2 THR 52 4.183 -15.848 2.336 337 HG22 THR 52 1HG2 THR 52 5.271 -14.472 2.517 338 HG23 THR 52 2HG2 THR 52 5.653 -15.754 1.367 339 H ASN 53 H ASN 53 3.483 -12.607 -1.786 340 HA ASN 53 HA ASN 53 5.284 -13.175 -3.943 341 HB2 ASN 53 1HB ASN 53 4.631 -15.406 -3.914 342 HB3 ASN 53 2HB ASN 53 3.017 -15.035 -3.316 343 HD21 ASN 53 1HD2 ASN 53 5.066 -15.236 -6.113 344 HD22 ASN 53 2HD2 ASN 53 3.804 -15.137 -7.296 345 H THR 54 H THR 54 2.048 -12.417 -2.830 346 HA THR 54 HA THR 54 1.205 -11.239 -5.287 347 HB THR 54 HB THR 54 -0.375 -10.314 -3.110 348 HG1 THR 54 1HG THR 54 -0.826 -12.662 -2.404 349 HG21 THR 54 3HG2 THR 54 -0.831 -12.590 -5.049 350 HG22 THR 54 1HG2 THR 54 -1.193 -10.890 -5.356 351 HG23 THR 54 2HG2 THR 54 -2.073 -11.769 -4.106 352 H GLY 55 H GLY 55 1.585 -9.246 -5.970 353 HA2 GLY 55 1HA GLY 55 1.470 -6.838 -4.917 354 HA3 GLY 55 2HA GLY 55 2.978 -7.393 -4.199 355 H ASN 56 H ASN 56 1.341 -6.982 -7.306 356 HA ASN 56 HA ASN 56 3.987 -6.532 -8.522 357 HB2 ASN 56 1HB ASN 56 2.479 -8.574 -9.224 358 HB3 ASN 56 2HB ASN 56 1.621 -7.355 -10.160 359 HD21 ASN 56 1HD2 ASN 56 5.057 -7.850 -9.453 360 HD22 ASN 56 2HD2 ASN 56 5.566 -7.895 -11.108 361 H SER 57 H SER 57 1.102 -5.974 -10.344 362 HA SER 57 HA SER 57 1.650 -3.152 -10.507 363 HB2 SER 57 1HB SER 57 -0.930 -3.965 -11.570 364 HB3 SER 57 2HB SER 57 0.469 -3.301 -12.415 365 HG SER 57 HG SER 57 0.427 -5.265 -13.243 366 H PHE 58 H PHE 58 -0.536 -5.269 -8.843 367 HA PHE 58 HA PHE 58 -1.512 -3.036 -7.240 368 HB2 PHE 58 1HB PHE 58 -3.072 -4.223 -9.246 369 HB3 PHE 58 2HB PHE 58 -3.634 -4.955 -7.749 370 HD1 PHE 58 1HD PHE 58 -2.309 -1.526 -7.918 371 HD2 PHE 58 2HD PHE 58 -5.794 -3.964 -7.804 372 HE1 PHE 58 1HE PHE 58 -3.681 0.461 -7.463 373 HE2 PHE 58 2HE PHE 58 -7.173 -1.983 -7.351 374 HZ PHE 58 HZ PHE 58 -6.117 0.236 -7.178 375 H LEU 59 H LEU 59 -2.073 -3.626 -5.150 376 HA LEU 59 HA LEU 59 -1.782 -6.463 -4.429 377 HB2 LEU 59 1HB LEU 59 -0.012 -4.448 -3.711 378 HB3 LEU 59 2HB LEU 59 -1.058 -4.593 -2.312 379 HG LEU 59 HG LEU 59 0.610 -6.784 -3.546 380 HD11 LEU 59 1HD1 LEU 59 1.735 -5.023 -2.124 381 HD12 LEU 59 2HD1 LEU 59 0.781 -5.635 -0.773 382 HD13 LEU 59 3HD1 LEU 59 1.927 -6.694 -1.595 383 HD21 LEU 59 3HD2 LEU 59 -0.176 -8.105 -1.556 384 HD22 LEU 59 1HD2 LEU 59 -1.419 -6.875 -1.325 385 HD23 LEU 59 2HD2 LEU 59 -1.385 -7.826 -2.811 386 H ILE 60 H ILE 60 -3.778 -7.075 -3.893 387 HA ILE 60 HA ILE 60 -5.656 -5.214 -2.734 388 HB ILE 60 HB ILE 60 -5.777 -8.065 -3.629 389 HG12 ILE 60 2HG1 ILE 60 -8.040 -6.889 -4.478 390 HG13 ILE 60 1HG1 ILE 60 -7.034 -5.458 -4.284 391 HG21 ILE 60 1HG2 ILE 60 -8.317 -7.438 -2.584 392 HG22 ILE 60 2HG2 ILE 60 -7.219 -8.720 -2.074 393 HG23 ILE 60 3HG2 ILE 60 -7.147 -7.136 -1.300 394 HD11 ILE 60 3HD1 ILE 60 -5.418 -7.250 -5.641 395 HD12 ILE 60 1HD1 ILE 60 -7.016 -7.465 -6.356 396 HD13 ILE 60 2HD1 ILE 60 -6.272 -5.865 -6.320 397 H ILE 61 H ILE 61 -5.607 -4.693 -0.681 398 HA ILE 61 HA ILE 61 -4.122 -6.276 1.226 399 HB ILE 61 HB ILE 61 -5.640 -3.676 1.507 400 HG12 ILE 61 2HG1 ILE 61 -2.671 -4.260 1.587 401 HG13 ILE 61 1HG1 ILE 61 -3.531 -3.642 0.180 402 HG21 ILE 61 1HG2 ILE 61 -5.169 -5.406 3.570 403 HG22 ILE 61 2HG2 ILE 61 -3.746 -4.365 3.625 404 HG23 ILE 61 3HG2 ILE 61 -5.360 -3.659 3.730 405 HD11 ILE 61 3HD1 ILE 61 -2.251 -2.024 1.758 406 HD12 ILE 61 1HD1 ILE 61 -3.824 -1.563 1.103 407 HD13 ILE 61 2HD1 ILE 61 -3.697 -2.162 2.759 408 H ASN 62 H ASN 62 -4.918 -7.578 2.768 409 HA ASN 62 HA ASN 62 -7.666 -8.401 2.532 410 HB2 ASN 62 1HB ASN 62 -5.465 -9.782 3.101 411 HB3 ASN 62 2HB ASN 62 -5.958 -9.411 4.751 412 HD21 ASN 62 1HD2 ASN 62 -6.274 -11.663 5.052 413 HD22 ASN 62 2HD2 ASN 62 -7.714 -12.437 4.471 414 H ALA 63 H ALA 63 -7.381 -5.734 3.454 415 HA ALA 63 HA ALA 63 -8.456 -4.308 4.827 416 HB1 ALA 63 1HB ALA 63 -10.502 -5.232 4.689 417 HB2 ALA 63 2HB ALA 63 -9.944 -6.824 5.199 418 HB3 ALA 63 3HB ALA 63 -10.216 -5.562 6.399 419 H ALA 64 H ALA 64 -8.460 -7.023 7.127 420 HA ALA 64 HA ALA 64 -7.866 -5.131 9.216 421 HB1 ALA 64 1HB ALA 64 -9.542 -6.614 9.803 422 HB2 ALA 64 2HB ALA 64 -8.679 -8.005 9.147 423 HB3 ALA 64 3HB ALA 64 -8.135 -7.255 10.649 424 H ASN 65 H ASN 65 -5.625 -5.309 7.645 425 HA ASN 65 HA ASN 65 -3.770 -6.285 9.696 426 HB2 ASN 65 1HB ASN 65 -2.149 -6.988 8.009 427 HB3 ASN 65 2HB ASN 65 -3.653 -7.882 7.833 428 HD21 ASN 65 1HD2 ASN 65 -4.201 -8.186 5.829 429 HD22 ASN 65 2HD2 ASN 65 -3.868 -7.127 4.496 430 H CYS 66 H CYS 66 -4.939 -3.804 7.832 431 HA CYS 66 HA CYS 66 -2.557 -2.158 8.053 432 HB2 CYS 66 1HB CYS 66 -4.359 -2.050 6.175 433 HB3 CYS 66 2HB CYS 66 -5.294 -1.128 7.348 434 H VAL 67 H VAL 67 -2.227 -0.611 9.609 435 HA VAL 67 HA VAL 67 -3.721 -1.029 12.036 436 HB VAL 67 HB VAL 67 -1.854 1.176 12.208 437 HG11 VAL 67 1HG1 VAL 67 -2.438 0.091 14.187 438 HG12 VAL 67 2HG1 VAL 67 -2.194 -1.512 13.491 439 HG13 VAL 67 3HG1 VAL 67 -0.806 -0.490 13.856 440 HG21 VAL 67 3HG2 VAL 67 0.107 -0.621 11.928 441 HG22 VAL 67 1HG2 VAL 67 -0.999 -1.218 10.691 442 HG23 VAL 67 2HG2 VAL 67 -0.410 0.443 10.620 443 H ALA 68 H ALA 68 -3.137 1.727 9.858 444 HA ALA 68 HA ALA 68 -5.621 2.922 10.741 445 HB1 ALA 68 1HB ALA 68 -2.938 4.071 11.382 446 HB2 ALA 68 2HB ALA 68 -4.297 5.150 11.058 447 HB3 ALA 68 3HB ALA 68 -4.391 3.986 12.380 Start of MODEL 7 1 H1 SER 1 1H SER 1 -2.212 14.291 -3.531 2 H2 SER 1 2H SER 1 -3.132 15.550 -4.200 3 H3 SER 1 3H SER 1 -1.630 15.882 -3.496 4 HA SER 1 HA SER 1 -2.255 14.741 -6.100 5 HB2 SER 1 1HB SER 1 0.243 16.063 -5.989 6 HB3 SER 1 2HB SER 1 -1.270 16.686 -6.653 7 HG SER 1 HG SER 1 -0.877 18.123 -5.105 8 H ALA 2 H ALA 2 0.364 14.364 -7.004 9 HA ALA 2 HA ALA 2 0.868 11.733 -5.952 10 HB1 ALA 2 1HB ALA 2 2.041 13.367 -8.173 11 HB2 ALA 2 2HB ALA 2 2.797 11.860 -7.659 12 HB3 ALA 2 3HB ALA 2 1.139 11.854 -8.262 13 H THR 3 H THR 3 1.855 11.573 -4.050 14 HA THR 3 HA THR 3 3.851 13.569 -3.293 15 HB THR 3 HB THR 3 3.136 11.458 -1.361 16 HG1 THR 3 1HG THR 3 1.197 12.680 -2.777 17 HG21 THR 3 3HG2 THR 3 2.706 14.320 -0.788 18 HG22 THR 3 1HG2 THR 3 4.359 13.864 -1.202 19 HG23 THR 3 2HG2 THR 3 3.547 13.088 0.156 20 H THR 4 H THR 4 5.950 13.079 -2.777 21 HA THR 4 HA THR 4 6.927 10.503 -3.759 22 HB THR 4 HB THR 4 8.863 12.533 -2.835 23 HG1 THR 4 1HG THR 4 7.154 12.967 -5.090 24 HG21 THR 4 3HG2 THR 4 9.057 10.272 -4.272 25 HG22 THR 4 1HG2 THR 4 10.186 11.616 -4.442 26 HG23 THR 4 2HG2 THR 4 8.856 11.433 -5.586 27 H ILE 5 H ILE 5 7.494 8.939 -2.394 28 HA ILE 5 HA ILE 5 7.733 9.594 0.443 29 HB ILE 5 HB ILE 5 7.075 7.496 0.978 30 HG12 ILE 5 2HG1 ILE 5 7.612 5.815 -1.285 31 HG13 ILE 5 1HG1 ILE 5 9.080 6.688 -0.855 32 HG21 ILE 5 1HG2 ILE 5 6.106 7.369 -1.860 33 HG22 ILE 5 2HG2 ILE 5 5.330 6.738 -0.408 34 HG23 ILE 5 3HG2 ILE 5 5.436 8.479 -0.665 35 HD11 ILE 5 3HD1 ILE 5 8.633 4.409 0.230 36 HD12 ILE 5 1HD1 ILE 5 9.169 5.740 1.256 37 HD13 ILE 5 2HD1 ILE 5 7.467 5.280 1.230 38 H GLY 6 H GLY 6 9.537 9.111 1.682 39 HA2 GLY 6 1HA GLY 6 11.990 8.758 0.079 40 HA3 GLY 6 2HA GLY 6 11.897 9.679 1.570 41 HA PRO 7 HA PRO 7 13.658 5.827 3.023 42 HB2 PRO 7 1HB PRO 7 14.679 6.777 5.315 43 HB3 PRO 7 2HB PRO 7 15.402 7.148 3.746 44 HG2 PRO 7 1HG PRO 7 13.629 8.828 5.463 45 HG3 PRO 7 2HG PRO 7 15.049 9.301 4.514 46 HD2 PRO 7 1HD PRO 7 12.436 9.658 3.706 47 HD3 PRO 7 2HD PRO 7 13.825 9.562 2.607 48 H ASN 8 H ASN 8 11.255 5.275 3.207 49 HA ASN 8 HA ASN 8 9.705 4.091 4.352 50 HB2 ASN 8 1HB ASN 8 11.676 3.172 5.626 51 HB3 ASN 8 2HB ASN 8 11.395 4.417 6.839 52 HD21 ASN 8 1HD2 ASN 8 11.354 1.929 7.718 53 HD22 ASN 8 2HD2 ASN 8 9.744 1.391 8.048 54 H THR 9 H THR 9 7.948 5.271 4.352 55 HA THR 9 HA THR 9 7.693 7.629 6.021 56 HB THR 9 HB THR 9 5.461 6.541 4.360 57 HG1 THR 9 1HG THR 9 7.691 7.959 3.274 58 HG21 THR 9 3HG2 THR 9 4.645 8.595 4.661 59 HG22 THR 9 1HG2 THR 9 6.108 9.313 3.986 60 HG23 THR 9 2HG2 THR 9 6.017 8.949 5.709 61 H CYS 10 H CYS 10 7.309 4.402 6.539 62 HA CYS 10 HA CYS 10 4.860 4.684 8.127 63 HB2 CYS 10 1HB CYS 10 6.211 2.398 6.777 64 HB3 CYS 10 2HB CYS 10 5.270 2.061 8.228 65 H SER 11 H SER 11 6.801 5.965 9.322 66 HA SER 11 HA SER 11 8.391 4.379 11.089 67 HB2 SER 11 1HB SER 11 8.018 7.091 11.989 68 HB3 SER 11 2HB SER 11 9.459 6.342 11.295 69 HG SER 11 HG SER 11 8.814 8.017 9.948 70 H ILE 12 H ILE 12 6.018 3.321 11.464 71 HA ILE 12 HA ILE 12 4.877 4.492 13.922 72 HB ILE 12 HB ILE 12 3.593 2.309 12.297 73 HG12 ILE 12 2HG1 ILE 12 4.017 4.222 10.788 74 HG13 ILE 12 1HG1 ILE 12 2.299 3.971 11.081 75 HG21 ILE 12 1HG2 ILE 12 1.697 2.697 13.510 76 HG22 ILE 12 2HG2 ILE 12 2.927 3.100 14.709 77 HG23 ILE 12 3HG2 ILE 12 2.105 4.382 13.820 78 HD11 ILE 12 3HD1 ILE 12 2.490 6.252 11.233 79 HD12 ILE 12 1HD1 ILE 12 2.628 5.770 12.925 80 HD13 ILE 12 2HD1 ILE 12 4.076 6.178 12.001 81 H ASP 13 H ASP 13 6.212 1.637 12.440 82 HA ASP 13 HA ASP 13 7.222 0.390 14.685 83 HB2 ASP 13 1HB ASP 13 4.601 0.238 15.073 84 HB3 ASP 13 2HB ASP 13 4.718 -1.082 13.915 85 H ASP 14 H ASP 14 6.447 -2.361 13.782 86 HA ASP 14 HA ASP 14 8.054 -2.480 11.380 87 HB2 ASP 14 1HB ASP 14 8.264 -4.287 13.016 88 HB3 ASP 14 2HB ASP 14 6.555 -4.670 12.838 89 H TYR 15 H TYR 15 6.484 -0.991 10.335 90 HA TYR 15 HA TYR 15 4.346 -2.534 9.030 91 HB2 TYR 15 1HB TYR 15 4.363 0.286 10.060 92 HB3 TYR 15 2HB TYR 15 3.356 -0.128 8.676 93 HD1 TYR 15 1HD TYR 15 1.563 -1.850 8.933 94 HD2 TYR 15 2HD TYR 15 3.730 -0.332 12.265 95 HE1 TYR 15 1HE TYR 15 -0.182 -2.688 10.447 96 HE2 TYR 15 2HE TYR 15 1.989 -1.163 13.784 97 HH TYR 15 HH TYR 15 -0.964 -1.908 12.967 98 H LYS 16 H LYS 16 4.257 -2.429 6.829 99 HA LYS 16 HA LYS 16 6.566 -1.141 5.573 100 HB2 LYS 16 1HB LYS 16 4.837 -3.482 4.856 101 HB3 LYS 16 2HB LYS 16 5.725 -2.640 3.591 102 HG2 LYS 16 1HG LYS 16 7.486 -3.887 4.082 103 HG3 LYS 16 2HG LYS 16 7.575 -3.077 5.646 104 HD2 LYS 16 1HD LYS 16 5.597 -5.255 5.432 105 HD3 LYS 16 2HD LYS 16 7.288 -5.747 5.345 106 HE2 LYS 16 2HE LYS 16 6.785 -3.818 7.467 107 HE3 LYS 16 1HE LYS 16 5.829 -5.286 7.649 108 HZ1 LYS 16 3HZ LYS 16 7.814 -6.604 7.619 109 HZ2 LYS 16 1HZ LYS 16 8.027 -5.364 8.763 110 HZ3 LYS 16 2HZ LYS 16 8.772 -5.256 7.243 111 HA PRO 17 HA PRO 17 3.868 1.904 3.890 112 HB2 PRO 17 1HB PRO 17 5.876 2.615 1.935 113 HB3 PRO 17 2HB PRO 17 5.434 3.461 3.417 114 HG2 PRO 17 1HG PRO 17 7.836 2.212 3.048 115 HG3 PRO 17 2HG PRO 17 7.087 2.464 4.634 116 HD2 PRO 17 1HD PRO 17 7.132 0.002 2.929 117 HD3 PRO 17 2HD PRO 17 7.316 0.159 4.691 118 H TYR 18 H TYR 18 2.200 1.427 2.634 119 HA TYR 18 HA TYR 18 2.739 0.552 -0.120 120 HB2 TYR 18 1HB TYR 18 0.667 -0.508 1.804 121 HB3 TYR 18 2HB TYR 18 0.540 -0.730 0.064 122 HD1 TYR 18 2HD TYR 18 2.495 -1.928 -1.106 123 HD2 TYR 18 1HD TYR 18 1.885 -2.012 3.105 124 HE1 TYR 18 2HE TYR 18 3.899 -3.939 -0.945 125 HE2 TYR 18 1HE TYR 18 3.285 -4.024 3.272 126 HH TYR 18 HH TYR 18 3.990 -5.892 1.789 127 H CYS 19 H CYS 19 1.490 1.499 -1.677 128 HA CYS 19 HA CYS 19 0.000 3.856 -0.816 129 HB2 CYS 19 1HB CYS 19 0.673 3.048 -3.647 130 HB3 CYS 19 2HB CYS 19 0.233 4.648 -3.060 131 H CYS 20 H CYS 20 -2.015 3.303 -0.227 132 HA CYS 20 HA CYS 20 -3.454 1.264 -1.705 133 HB2 CYS 20 1HB CYS 20 -3.758 2.599 0.924 134 HB3 CYS 20 2HB CYS 20 -5.243 2.096 0.127 135 H GLN 21 H GLN 21 -4.747 1.727 -3.337 136 HA GLN 21 HA GLN 21 -5.793 4.431 -3.641 137 HB2 GLN 21 1HB GLN 21 -5.823 1.995 -5.418 138 HB3 GLN 21 2HB GLN 21 -6.759 3.437 -5.788 139 HG2 GLN 21 1HG GLN 21 -4.410 4.603 -5.451 140 HG3 GLN 21 2HG GLN 21 -3.827 2.995 -5.872 141 HE21 GLN 21 1HE2 GLN 21 -3.085 4.845 -7.559 142 HE22 GLN 21 2HE2 GLN 21 -4.021 4.831 -9.012 143 H SER 22 H SER 22 -7.619 4.929 -2.695 144 HA SER 22 HA SER 22 -9.348 2.885 -1.634 145 HB2 SER 22 1HB SER 22 -9.628 5.900 -1.624 146 HB3 SER 22 2HB SER 22 -10.603 4.776 -0.678 147 HG SER 22 HG SER 22 -7.926 5.548 -0.347 148 H MET 23 H MET 23 -10.927 1.969 -2.736 149 HA MET 23 HA MET 23 -11.635 2.961 -5.340 150 HB2 MET 23 1HB MET 23 -11.740 0.445 -3.958 151 HB3 MET 23 2HB MET 23 -13.320 0.801 -4.644 152 HG2 MET 23 1HG MET 23 -11.921 -0.512 -6.154 153 HG3 MET 23 2HG MET 23 -12.354 1.052 -6.839 154 HE1 MET 23 3HE MET 23 -9.636 -1.410 -6.014 155 HE2 MET 23 1HE MET 23 -8.192 -0.450 -5.689 156 HE3 MET 23 2HE MET 23 -9.505 -0.496 -4.512 157 H SER 24 H SER 24 -12.493 4.965 -4.278 158 HA SER 24 HA SER 24 -14.201 6.340 -3.695 159 HB2 SER 24 1HB SER 24 -16.130 4.624 -5.174 160 HB3 SER 24 2HB SER 24 -15.838 6.358 -5.297 161 HG SER 24 HG SER 24 -15.112 5.092 -7.135 162 H GLY 25 H GLY 25 -16.778 4.098 -3.958 163 HA2 GLY 25 1HA GLY 25 -16.888 3.878 -1.017 164 HA3 GLY 25 2HA GLY 25 -18.291 4.361 -1.960 165 H SER 26 H SER 26 -16.063 1.918 -3.106 166 HA SER 26 HA SER 26 -18.201 -0.044 -3.045 167 HB2 SER 26 1HB SER 26 -15.472 -0.839 -3.903 168 HB3 SER 26 2HB SER 26 -17.031 -1.163 -4.659 169 HG SER 26 HG SER 26 -15.718 0.304 -5.870 170 H ALA 27 H ALA 27 -15.991 0.998 -0.865 171 HA ALA 27 HA ALA 27 -15.170 0.221 1.099 172 HB1 ALA 27 1HB ALA 27 -16.402 -2.245 1.547 173 HB2 ALA 27 2HB ALA 27 -16.895 -0.673 2.173 174 HB3 ALA 27 3HB ALA 27 -17.589 -1.281 0.671 175 H SER 28 H SER 28 -13.879 -0.448 -1.357 176 HA SER 28 HA SER 28 -12.313 -2.737 -0.408 177 HB2 SER 28 1HB SER 28 -12.399 -2.566 -3.324 178 HB3 SER 28 2HB SER 28 -12.633 -3.965 -2.277 179 HG SER 28 HG SER 28 -14.795 -2.826 -1.876 180 H LEU 29 H LEU 29 -10.077 -2.698 -1.214 181 HA LEU 29 HA LEU 29 -9.162 -0.296 -2.512 182 HB2 LEU 29 1HB LEU 29 -7.724 0.463 -0.710 183 HB3 LEU 29 2HB LEU 29 -9.405 0.491 -0.216 184 HG LEU 29 HG LEU 29 -7.781 -1.905 0.502 185 HD11 LEU 29 1HD1 LEU 29 -7.325 -0.487 2.678 186 HD12 LEU 29 2HD1 LEU 29 -6.209 -0.467 1.314 187 HD13 LEU 29 3HD1 LEU 29 -7.360 0.850 1.527 188 HD21 LEU 29 3HD2 LEU 29 -9.281 -2.106 2.260 189 HD22 LEU 29 1HD2 LEU 29 -9.716 -0.397 2.216 190 HD23 LEU 29 2HD2 LEU 29 -10.287 -1.485 0.952 191 H GLY 30 H GLY 30 -6.790 -0.313 -2.812 192 HA2 GLY 30 1HA GLY 30 -5.580 -2.971 -2.571 193 HA3 GLY 30 2HA GLY 30 -5.691 -2.242 -4.170 194 H CYS 31 H CYS 31 -3.356 -2.921 -2.380 195 HA CYS 31 HA CYS 31 -2.231 -0.210 -2.145 196 HB2 CYS 31 1HB CYS 31 -2.558 -2.255 -0.152 197 HB3 CYS 31 2HB CYS 31 -0.844 -1.949 -0.402 198 H VAL 32 H VAL 32 -0.730 0.068 -3.639 199 HA VAL 32 HA VAL 32 0.858 -2.190 -4.583 200 HB VAL 32 HB VAL 32 1.925 -0.030 -5.863 201 HG11 VAL 32 1HG1 VAL 32 -0.312 -1.893 -6.544 202 HG12 VAL 32 2HG1 VAL 32 0.190 -0.650 -7.692 203 HG13 VAL 32 3HG1 VAL 32 1.347 -1.864 -7.144 204 HG21 VAL 32 3HG2 VAL 32 -0.234 1.106 -4.628 205 HG22 VAL 32 1HG2 VAL 32 0.543 1.719 -6.086 206 HG23 VAL 32 2HG2 VAL 32 -0.886 0.694 -6.214 207 H VAL 33 H VAL 33 3.229 -2.038 -4.617 208 HA VAL 33 HA VAL 33 4.119 -1.546 -1.986 209 HB VAL 33 HB VAL 33 5.085 -3.303 -3.419 210 HG11 VAL 33 1HG1 VAL 33 5.806 -1.002 -5.092 211 HG12 VAL 33 2HG1 VAL 33 7.088 -2.192 -4.865 212 HG13 VAL 33 3HG1 VAL 33 5.532 -2.689 -5.530 213 HG21 VAL 33 3HG2 VAL 33 7.533 -2.737 -2.873 214 HG22 VAL 33 1HG2 VAL 33 6.878 -1.271 -2.146 215 HG23 VAL 33 2HG2 VAL 33 6.379 -2.853 -1.544 216 H GLY 34 H GLY 34 4.833 0.207 -1.033 217 HA2 GLY 34 1HA GLY 34 5.523 2.546 -2.676 218 HA3 GLY 34 2HA GLY 34 5.020 2.586 -0.990 219 H VAL 35 H VAL 35 7.613 1.449 -3.106 220 HA VAL 35 HA VAL 35 9.488 1.236 -0.932 221 HB VAL 35 HB VAL 35 11.131 1.113 -3.005 222 HG11 VAL 35 1HG1 VAL 35 10.893 -1.246 -2.987 223 HG12 VAL 35 2HG1 VAL 35 10.451 -0.689 -1.373 224 HG13 VAL 35 3HG1 VAL 35 9.195 -1.140 -2.524 225 HG21 VAL 35 3HG2 VAL 35 8.735 0.025 -4.386 226 HG22 VAL 35 1HG2 VAL 35 9.003 1.767 -4.439 227 HG23 VAL 35 2HG2 VAL 35 10.235 0.667 -5.058 228 H ILE 36 H ILE 36 11.669 2.412 -1.180 229 HA ILE 36 HA ILE 36 11.172 5.146 -0.802 230 HB ILE 36 HB ILE 36 13.589 5.463 -0.715 231 HG12 ILE 36 2HG1 ILE 36 14.365 2.684 -1.072 232 HG13 ILE 36 1HG1 ILE 36 13.694 3.366 -2.549 233 HG21 ILE 36 1HG2 ILE 36 13.523 2.917 0.678 234 HG22 ILE 36 2HG2 ILE 36 13.666 4.555 1.315 235 HG23 ILE 36 3HG2 ILE 36 12.075 3.884 0.955 236 HD11 ILE 36 3HD1 ILE 36 15.909 4.643 -0.964 237 HD12 ILE 36 1HD1 ILE 36 16.162 3.563 -2.334 238 HD13 ILE 36 2HD1 ILE 36 15.333 5.102 -2.568 239 H GLY 37 H GLY 37 11.137 6.865 -2.097 240 HA2 GLY 37 1HA GLY 37 11.650 8.191 -3.941 241 HA3 GLY 37 2HA GLY 37 12.470 6.821 -4.673 242 H SER 38 H SER 38 9.238 6.395 -3.490 243 HA SER 38 HA SER 38 8.336 6.073 -6.252 244 HB2 SER 38 1HB SER 38 7.016 5.264 -3.650 245 HB3 SER 38 2HB SER 38 6.385 4.918 -5.260 246 HG SER 38 HG SER 38 8.614 3.846 -3.938 247 H GLN 39 H GLN 39 6.480 7.035 -7.051 248 HA GLN 39 HA GLN 39 5.646 9.493 -5.658 249 HB2 GLN 39 1HB GLN 39 6.731 9.398 -8.078 250 HB3 GLN 39 2HB GLN 39 5.081 9.014 -8.554 251 HG2 GLN 39 1HG GLN 39 4.960 11.259 -8.751 252 HG3 GLN 39 2HG GLN 39 4.582 11.140 -7.033 253 HE21 GLN 39 1HE2 GLN 39 7.711 10.732 -8.619 254 HE22 GLN 39 2HE2 GLN 39 8.480 12.062 -7.827 255 H CYS 40 H CYS 40 3.895 8.890 -4.479 256 HA CYS 40 HA CYS 40 1.814 7.345 -5.879 257 HB2 CYS 40 1HB CYS 40 2.645 7.349 -2.983 258 HB3 CYS 40 2HB CYS 40 1.108 6.676 -3.521 259 H GLY 41 H GLY 41 0.197 8.587 -6.478 260 HA2 GLY 41 1HA GLY 41 -0.556 10.890 -4.815 261 HA3 GLY 41 2HA GLY 41 -1.074 10.596 -6.470 262 H ALA 42 H ALA 42 -1.188 8.735 -3.443 263 HA ALA 42 HA ALA 42 -4.083 8.623 -3.566 264 HB1 ALA 42 1HB ALA 42 -2.808 6.670 -4.914 265 HB2 ALA 42 2HB ALA 42 -2.846 5.952 -3.304 266 HB3 ALA 42 3HB ALA 42 -4.349 6.434 -4.091 267 H SER 43 H SER 43 -4.636 6.784 -1.705 268 HA SER 43 HA SER 43 -3.735 8.038 0.698 269 HB2 SER 43 1HB SER 43 -5.129 5.703 1.381 270 HB3 SER 43 2HB SER 43 -5.797 7.332 1.254 271 HG SER 43 HG SER 43 -5.620 5.409 -0.840 272 H VAL 44 H VAL 44 -1.483 7.618 0.740 273 HA VAL 44 HA VAL 44 -0.381 5.004 0.773 274 HB VAL 44 HB VAL 44 0.808 7.379 2.209 275 HG11 VAL 44 1HG1 VAL 44 2.150 5.116 0.741 276 HG12 VAL 44 2HG1 VAL 44 2.908 6.329 1.770 277 HG13 VAL 44 3HG1 VAL 44 1.838 5.120 2.477 278 HG21 VAL 44 3HG2 VAL 44 1.902 7.990 0.098 279 HG22 VAL 44 1HG2 VAL 44 0.975 6.746 -0.739 280 HG23 VAL 44 2HG2 VAL 44 0.148 8.124 -0.016 281 H LYS 45 H LYS 45 -0.316 3.514 2.348 282 HA LYS 45 HA LYS 45 -1.043 4.330 5.069 283 HB2 LYS 45 1HB LYS 45 -2.530 2.528 3.265 284 HB3 LYS 45 2HB LYS 45 -2.306 1.939 4.907 285 HG2 LYS 45 1HG LYS 45 -3.842 3.326 5.714 286 HG3 LYS 45 2HG LYS 45 -3.161 4.706 4.851 287 HD2 LYS 45 1HD LYS 45 -4.867 4.646 3.434 288 HD3 LYS 45 2HD LYS 45 -4.383 3.025 2.930 289 HE2 LYS 45 2HE LYS 45 -6.675 2.964 3.663 290 HE3 LYS 45 1HE LYS 45 -5.674 2.095 4.825 291 HZ1 LYS 45 3HZ LYS 45 -5.773 3.909 6.322 292 HZ2 LYS 45 1HZ LYS 45 -7.362 3.609 5.819 293 HZ3 LYS 45 2HZ LYS 45 -6.498 4.923 5.177 294 H CYS 46 H CYS 46 -0.772 2.404 6.586 295 HA CYS 46 HA CYS 46 1.761 1.072 5.914 296 HB2 CYS 46 1HB CYS 46 0.644 1.937 8.586 297 HB3 CYS 46 2HB CYS 46 2.105 0.977 8.393 298 H CYS 47 H CYS 47 1.391 -0.982 5.366 299 HA CYS 47 HA CYS 47 -0.679 -2.439 6.870 300 HB2 CYS 47 1HB CYS 47 0.313 -3.534 4.295 301 HB3 CYS 47 2HB CYS 47 -1.306 -3.569 4.984 302 H LYS 48 H LYS 48 -0.195 -4.295 7.876 303 HA LYS 48 HA LYS 48 2.593 -5.215 7.780 304 HB2 LYS 48 1HB LYS 48 1.081 -4.675 9.951 305 HB3 LYS 48 2HB LYS 48 0.675 -6.370 9.731 306 HG2 LYS 48 1HG LYS 48 2.746 -7.086 10.310 307 HG3 LYS 48 2HG LYS 48 3.546 -5.650 9.669 308 HD2 LYS 48 1HD LYS 48 3.352 -4.517 11.620 309 HD3 LYS 48 2HD LYS 48 1.767 -5.208 11.975 310 HE2 LYS 48 2HE LYS 48 3.548 -5.900 13.568 311 HE3 LYS 48 1HE LYS 48 2.747 -7.241 12.755 312 HZ1 LYS 48 3HZ LYS 48 5.334 -7.153 12.961 313 HZ2 LYS 48 1HZ LYS 48 5.219 -6.172 11.585 314 HZ3 LYS 48 2HZ LYS 48 4.601 -7.749 11.554 315 H ASP 49 H ASP 49 0.865 -5.707 5.624 316 HA ASP 49 HA ASP 49 -0.369 -8.275 5.894 317 HB2 ASP 49 1HB ASP 49 -1.053 -6.314 4.332 318 HB3 ASP 49 2HB ASP 49 0.180 -6.961 3.253 319 H ASP 50 H ASP 50 0.137 -10.110 4.575 320 HA ASP 50 HA ASP 50 2.995 -10.624 4.522 321 HB2 ASP 50 1HB ASP 50 1.434 -12.239 5.556 322 HB3 ASP 50 2HB ASP 50 0.645 -12.463 3.999 323 H VAL 51 H VAL 51 0.529 -9.719 2.379 324 HA VAL 51 HA VAL 51 0.375 -9.467 0.137 325 HB VAL 51 HB VAL 51 3.344 -9.903 -0.134 326 HG11 VAL 51 1HG1 VAL 51 1.608 -7.887 -1.530 327 HG12 VAL 51 2HG1 VAL 51 3.195 -8.494 -2.005 328 HG13 VAL 51 3HG1 VAL 51 1.780 -9.542 -2.118 329 HG21 VAL 51 3HG2 VAL 51 3.822 -8.186 1.189 330 HG22 VAL 51 1HG2 VAL 51 2.796 -7.141 0.206 331 HG23 VAL 51 2HG2 VAL 51 2.113 -8.003 1.586 332 H THR 52 H THR 52 -0.225 -11.935 1.064 333 HA THR 52 HA THR 52 0.976 -13.870 -0.757 334 HB THR 52 HB THR 52 -1.290 -14.892 0.709 335 HG1 THR 52 1HG THR 52 0.737 -14.102 2.492 336 HG21 THR 52 3HG2 THR 52 1.680 -15.426 0.816 337 HG22 THR 52 1HG2 THR 52 0.484 -16.302 -0.140 338 HG23 THR 52 2HG2 THR 52 0.459 -16.409 1.622 339 H ASN 53 H ASN 53 -1.201 -11.535 -1.107 340 HA ASN 53 HA ASN 53 -3.300 -12.975 -2.460 341 HB2 ASN 53 1HB ASN 53 -3.392 -10.626 -1.261 342 HB3 ASN 53 2HB ASN 53 -2.853 -10.035 -2.829 343 HD21 ASN 53 1HD2 ASN 53 -5.298 -9.388 -1.612 344 HD22 ASN 53 2HD2 ASN 53 -6.575 -10.028 -2.591 345 H THR 54 H THR 54 -3.641 -13.067 -4.671 346 HA THR 54 HA THR 54 -1.243 -13.073 -6.252 347 HB THR 54 HB THR 54 -3.314 -13.556 -8.000 348 HG1 THR 54 1HG THR 54 -5.023 -14.036 -6.849 349 HG21 THR 54 3HG2 THR 54 -1.158 -14.868 -7.273 350 HG22 THR 54 1HG2 THR 54 -2.507 -15.716 -8.029 351 HG23 THR 54 2HG2 THR 54 -2.297 -15.773 -6.280 352 H GLY 55 H GLY 55 -0.493 -11.196 -7.009 353 HA2 GLY 55 1HA GLY 55 -2.311 -9.501 -8.552 354 HA3 GLY 55 2HA GLY 55 -1.468 -8.749 -7.203 355 H ASN 56 H ASN 56 -1.386 -8.790 -10.345 356 HA ASN 56 HA ASN 56 1.399 -9.341 -10.828 357 HB2 ASN 56 1HB ASN 56 -0.563 -9.510 -12.515 358 HB3 ASN 56 2HB ASN 56 -0.366 -7.765 -12.679 359 HD21 ASN 56 1HD2 ASN 56 1.111 -10.876 -13.160 360 HD22 ASN 56 2HD2 ASN 56 2.332 -10.344 -14.270 361 H SER 57 H SER 57 -0.632 -6.441 -10.706 362 HA SER 57 HA SER 57 1.791 -4.896 -10.056 363 HB2 SER 57 1HB SER 57 -0.106 -3.104 -11.107 364 HB3 SER 57 2HB SER 57 1.388 -3.642 -11.883 365 HG SER 57 HG SER 57 -1.217 -4.299 -12.432 366 H PHE 58 H PHE 58 -1.744 -4.561 -10.020 367 HA PHE 58 HA PHE 58 -1.657 -3.176 -7.489 368 HB2 PHE 58 1HB PHE 58 -3.303 -2.988 -9.627 369 HB3 PHE 58 2HB PHE 58 -4.250 -4.054 -8.597 370 HD1 PHE 58 1HD PHE 58 -2.228 -0.943 -8.261 371 HD2 PHE 58 2HD PHE 58 -5.775 -3.049 -7.233 372 HE1 PHE 58 1HE PHE 58 -3.008 1.009 -6.993 373 HE2 PHE 58 2HE PHE 58 -6.568 -1.100 -5.960 374 HZ PHE 58 HZ PHE 58 -5.183 0.934 -5.840 375 H LEU 59 H LEU 59 -1.468 -4.293 -5.669 376 HA LEU 59 HA LEU 59 -2.710 -6.948 -5.491 377 HB2 LEU 59 1HB LEU 59 -0.839 -5.878 -3.421 378 HB3 LEU 59 2HB LEU 59 -1.138 -7.539 -3.894 379 HG LEU 59 HG LEU 59 -0.025 -6.242 -6.146 380 HD11 LEU 59 1HD1 LEU 59 2.048 -5.372 -5.340 381 HD12 LEU 59 2HD1 LEU 59 0.740 -4.527 -4.512 382 HD13 LEU 59 3HD1 LEU 59 1.640 -5.796 -3.678 383 HD21 LEU 59 3HD2 LEU 59 1.924 -7.814 -4.860 384 HD22 LEU 59 1HD2 LEU 59 0.362 -8.555 -4.521 385 HD23 LEU 59 2HD2 LEU 59 0.861 -8.271 -6.188 386 H ILE 60 H ILE 60 -4.442 -7.226 -4.222 387 HA ILE 60 HA ILE 60 -5.426 -4.949 -2.724 388 HB ILE 60 HB ILE 60 -6.607 -7.588 -3.530 389 HG12 ILE 60 2HG1 ILE 60 -8.487 -5.775 -4.060 390 HG13 ILE 60 1HG1 ILE 60 -7.101 -4.691 -4.022 391 HG21 ILE 60 1HG2 ILE 60 -8.164 -5.794 -1.727 392 HG22 ILE 60 2HG2 ILE 60 -8.372 -7.512 -2.062 393 HG23 ILE 60 3HG2 ILE 60 -7.050 -6.970 -1.030 394 HD11 ILE 60 3HD1 ILE 60 -7.935 -6.571 -6.053 395 HD12 ILE 60 1HD1 ILE 60 -6.810 -5.214 -6.155 396 HD13 ILE 60 2HD1 ILE 60 -6.246 -6.789 -5.591 397 H ILE 61 H ILE 61 -5.103 -4.668 -0.633 398 HA ILE 61 HA ILE 61 -4.103 -6.932 0.952 399 HB ILE 61 HB ILE 61 -3.382 -4.036 0.906 400 HG12 ILE 61 2HG1 ILE 61 -1.276 -5.733 1.744 401 HG13 ILE 61 1HG1 ILE 61 -2.130 -6.576 0.456 402 HG21 ILE 61 1HG2 ILE 61 -3.894 -5.498 3.356 403 HG22 ILE 61 2HG2 ILE 61 -2.224 -4.942 3.249 404 HG23 ILE 61 3HG2 ILE 61 -3.548 -3.786 3.112 405 HD11 ILE 61 3HD1 ILE 61 -0.559 -4.073 0.375 406 HD12 ILE 61 1HD1 ILE 61 -0.643 -5.404 -0.780 407 HD13 ILE 61 2HD1 ILE 61 -1.944 -4.211 -0.709 408 H ASN 62 H ASN 62 -5.121 -7.463 2.800 409 HA ASN 62 HA ASN 62 -7.785 -6.693 3.184 410 HB2 ASN 62 1HB ASN 62 -6.592 -8.835 3.967 411 HB3 ASN 62 2HB ASN 62 -6.075 -7.888 5.358 412 HD21 ASN 62 1HD2 ASN 62 -7.449 -9.939 6.074 413 HD22 ASN 62 2HD2 ASN 62 -9.106 -9.570 6.439 414 H ALA 63 H ALA 63 -8.777 -5.254 4.470 415 HA ALA 63 HA ALA 63 -7.322 -2.991 5.391 416 HB1 ALA 63 1HB ALA 63 -9.774 -2.676 6.509 417 HB2 ALA 63 2HB ALA 63 -9.377 -2.253 4.844 418 HB3 ALA 63 3HB ALA 63 -10.141 -3.800 5.205 419 H ALA 64 H ALA 64 -7.930 -5.999 6.764 420 HA ALA 64 HA ALA 64 -7.824 -5.114 9.519 421 HB1 ALA 64 1HB ALA 64 -9.108 -7.109 8.918 422 HB2 ALA 64 2HB ALA 64 -7.634 -7.890 8.352 423 HB3 ALA 64 3HB ALA 64 -7.825 -7.495 10.062 424 H ASN 65 H ASN 65 -5.621 -5.589 7.029 425 HA ASN 65 HA ASN 65 -3.431 -6.197 8.900 426 HB2 ASN 65 1HB ASN 65 -4.012 -7.026 6.180 427 HB3 ASN 65 2HB ASN 65 -2.398 -6.334 6.322 428 HD21 ASN 65 1HD2 ASN 65 -2.599 -8.909 5.650 429 HD22 ASN 65 2HD2 ASN 65 -2.122 -9.927 6.973 430 H CYS 66 H CYS 66 -4.542 -3.956 6.445 431 HA CYS 66 HA CYS 66 -2.260 -2.208 6.963 432 HB2 CYS 66 1HB CYS 66 -3.438 -2.681 4.635 433 HB3 CYS 66 2HB CYS 66 -4.529 -1.410 5.183 434 H VAL 67 H VAL 67 -2.384 -0.409 8.219 435 HA VAL 67 HA VAL 67 -4.789 -0.199 9.841 436 HB VAL 67 HB VAL 67 -3.462 1.314 11.275 437 HG11 VAL 67 1HG1 VAL 67 -1.531 -0.693 11.406 438 HG12 VAL 67 2HG1 VAL 67 -3.047 -0.606 12.303 439 HG13 VAL 67 3HG1 VAL 67 -2.978 -1.474 10.771 440 HG21 VAL 67 3HG2 VAL 67 -1.996 2.297 9.610 441 HG22 VAL 67 1HG2 VAL 67 -1.045 1.536 10.884 442 HG23 VAL 67 2HG2 VAL 67 -1.233 0.732 9.327 443 H ALA 68 H ALA 68 -5.353 2.070 10.592 444 HA ALA 68 HA ALA 68 -5.504 3.861 8.259 445 HB1 ALA 68 1HB ALA 68 -7.540 3.087 10.303 446 HB2 ALA 68 2HB ALA 68 -7.629 4.678 9.549 447 HB3 ALA 68 3HB ALA 68 -7.704 3.225 8.552 Start of MODEL 8 1 H1 SER 1 1H SER 1 -3.651 12.644 -4.742 2 H2 SER 1 2H SER 1 -3.659 14.269 -5.217 3 H3 SER 1 3H SER 1 -4.504 13.790 -3.829 4 HA SER 1 HA SER 1 -2.149 14.904 -3.709 5 HB2 SER 1 1HB SER 1 -2.507 12.609 -1.853 6 HB3 SER 1 2HB SER 1 -2.198 14.308 -1.498 7 HG SER 1 HG SER 1 -4.275 14.675 -1.409 8 H ALA 2 H ALA 2 -0.077 14.550 -4.152 9 HA ALA 2 HA ALA 2 0.769 11.790 -4.770 10 HB1 ALA 2 1HB ALA 2 1.357 12.629 -6.749 11 HB2 ALA 2 2HB ALA 2 1.120 14.288 -6.198 12 HB3 ALA 2 3HB ALA 2 2.654 13.470 -5.899 13 H THR 3 H THR 3 1.458 11.222 -2.750 14 HA THR 3 HA THR 3 3.070 12.971 -1.141 15 HB THR 3 HB THR 3 3.044 10.204 -0.281 16 HG1 THR 3 1HG THR 3 0.703 10.138 -0.034 17 HG21 THR 3 3HG2 THR 3 2.795 11.207 1.708 18 HG22 THR 3 1HG2 THR 3 1.369 12.094 1.173 19 HG23 THR 3 2HG2 THR 3 2.979 12.731 0.841 20 H THR 4 H THR 4 5.237 12.903 -0.792 21 HA THR 4 HA THR 4 6.856 11.351 -2.626 22 HB THR 4 HB THR 4 8.153 12.935 -0.469 23 HG1 THR 4 1HG THR 4 6.515 14.372 -0.970 24 HG21 THR 4 3HG2 THR 4 8.742 13.357 -3.330 25 HG22 THR 4 1HG2 THR 4 9.045 11.733 -2.713 26 HG23 THR 4 2HG2 THR 4 9.838 13.121 -1.968 27 H ILE 5 H ILE 5 6.568 9.230 -1.916 28 HA ILE 5 HA ILE 5 7.198 8.507 0.801 29 HB ILE 5 HB ILE 5 5.620 7.053 -0.077 30 HG12 ILE 5 2HG1 ILE 5 7.723 5.222 -0.955 31 HG13 ILE 5 1HG1 ILE 5 8.085 6.010 0.576 32 HG21 ILE 5 1HG2 ILE 5 6.064 7.885 -2.456 33 HG22 ILE 5 2HG2 ILE 5 7.169 6.516 -2.584 34 HG23 ILE 5 3HG2 ILE 5 5.459 6.241 -2.252 35 HD11 ILE 5 3HD1 ILE 5 6.461 4.908 1.676 36 HD12 ILE 5 1HD1 ILE 5 5.378 4.890 0.285 37 HD13 ILE 5 2HD1 ILE 5 6.709 3.737 0.382 38 H GLY 6 H GLY 6 9.202 8.350 1.531 39 HA2 GLY 6 1HA GLY 6 11.393 8.014 -0.391 40 HA3 GLY 6 2HA GLY 6 11.550 8.595 1.262 41 HA PRO 7 HA PRO 7 12.885 4.272 1.638 42 HB2 PRO 7 1HB PRO 7 14.437 5.175 3.915 43 HB3 PRO 7 2HB PRO 7 15.012 4.560 2.366 44 HG2 PRO 7 1HG PRO 7 15.324 7.145 3.157 45 HG3 PRO 7 2HG PRO 7 15.202 6.651 1.459 46 HD2 PRO 7 1HD PRO 7 13.096 7.805 3.252 47 HD3 PRO 7 2HD PRO 7 13.455 8.177 1.550 48 H ASN 8 H ASN 8 10.562 4.227 2.312 49 HA ASN 8 HA ASN 8 9.008 3.343 3.698 50 HB2 ASN 8 1HB ASN 8 10.771 1.916 4.681 51 HB3 ASN 8 2HB ASN 8 11.176 3.211 5.806 52 HD21 ASN 8 1HD2 ASN 8 10.700 1.816 7.550 53 HD22 ASN 8 2HD2 ASN 8 9.057 1.486 7.997 54 H THR 9 H THR 9 7.492 4.718 4.145 55 HA THR 9 HA THR 9 8.004 7.127 5.670 56 HB THR 9 HB THR 9 5.349 6.170 4.594 57 HG1 THR 9 1HG THR 9 7.405 7.643 3.259 58 HG21 THR 9 3HG2 THR 9 6.336 9.000 4.833 59 HG22 THR 9 1HG2 THR 9 5.551 8.176 6.182 60 HG23 THR 9 2HG2 THR 9 4.679 8.420 4.670 61 H CYS 10 H CYS 10 7.015 3.936 6.264 62 HA CYS 10 HA CYS 10 5.616 4.702 8.736 63 HB2 CYS 10 1HB CYS 10 5.519 2.054 7.274 64 HB3 CYS 10 2HB CYS 10 4.559 2.507 8.679 65 H SER 11 H SER 11 7.836 5.071 9.610 66 HA SER 11 HA SER 11 9.519 2.797 10.081 67 HB2 SER 11 1HB SER 11 9.948 5.039 11.881 68 HB3 SER 11 2HB SER 11 11.016 4.380 10.640 69 HG SER 11 HG SER 11 10.355 5.838 9.261 70 H ILE 12 H ILE 12 7.214 1.864 10.905 71 HA ILE 12 HA ILE 12 7.311 2.002 13.847 72 HB ILE 12 HB ILE 12 4.773 1.593 12.259 73 HG12 ILE 12 2HG1 ILE 12 4.830 4.055 13.754 74 HG13 ILE 12 1HG1 ILE 12 6.179 4.009 12.627 75 HG21 ILE 12 1HG2 ILE 12 4.398 0.654 14.337 76 HG22 ILE 12 2HG2 ILE 12 5.441 1.812 15.162 77 HG23 ILE 12 3HG2 ILE 12 3.853 2.313 14.587 78 HD11 ILE 12 3HD1 ILE 12 4.195 5.075 11.679 79 HD12 ILE 12 1HD1 ILE 12 4.670 3.630 10.784 80 HD13 ILE 12 2HD1 ILE 12 3.298 3.572 11.892 81 H ASP 13 H ASP 13 8.352 0.141 14.264 82 HA ASP 13 HA ASP 13 8.708 -2.075 14.559 83 HB2 ASP 13 1HB ASP 13 6.403 -1.983 15.448 84 HB3 ASP 13 2HB ASP 13 5.773 -2.320 13.839 85 H ASP 14 H ASP 14 6.331 -3.240 12.409 86 HA ASP 14 HA ASP 14 8.279 -3.524 10.231 87 HB2 ASP 14 1HB ASP 14 8.271 -5.588 11.620 88 HB3 ASP 14 2HB ASP 14 6.547 -5.760 11.316 89 H TYR 15 H TYR 15 6.064 -1.733 10.561 90 HA TYR 15 HA TYR 15 3.948 -2.731 8.860 91 HB2 TYR 15 1HB TYR 15 4.359 -0.416 10.588 92 HB3 TYR 15 2HB TYR 15 3.608 0.016 9.056 93 HD1 TYR 15 2HD TYR 15 2.245 -2.831 8.843 94 HD2 TYR 15 1HD TYR 15 2.350 0.191 11.834 95 HE1 TYR 15 2HE TYR 15 0.076 -3.610 9.699 96 HE2 TYR 15 1HE TYR 15 0.180 -0.580 12.697 97 HH TYR 15 HH TYR 15 -1.444 -2.066 12.520 98 H LYS 16 H LYS 16 4.182 -2.837 6.739 99 HA LYS 16 HA LYS 16 6.230 -1.279 5.408 100 HB2 LYS 16 1HB LYS 16 4.427 -3.540 4.605 101 HB3 LYS 16 2HB LYS 16 5.260 -2.599 3.377 102 HG2 LYS 16 1HG LYS 16 6.978 -3.970 3.634 103 HG3 LYS 16 2HG LYS 16 7.237 -3.231 5.216 104 HD2 LYS 16 1HD LYS 16 5.485 -4.927 6.052 105 HD3 LYS 16 2HD LYS 16 5.798 -5.771 4.532 106 HE2 LYS 16 2HE LYS 16 8.116 -6.025 5.077 107 HE3 LYS 16 1HE LYS 16 7.945 -4.999 6.501 108 HZ1 LYS 16 3HZ LYS 16 7.450 -6.787 7.682 109 HZ2 LYS 16 1HZ LYS 16 7.599 -7.768 6.305 110 HZ3 LYS 16 2HZ LYS 16 6.097 -7.093 6.704 111 HA PRO 17 HA PRO 17 3.315 1.768 3.990 112 HB2 PRO 17 1HB PRO 17 4.906 3.073 2.264 113 HB3 PRO 17 2HB PRO 17 5.160 3.169 4.012 114 HG2 PRO 17 1HG PRO 17 6.606 1.537 1.971 115 HG3 PRO 17 2HG PRO 17 7.254 2.414 3.368 116 HD2 PRO 17 1HD PRO 17 6.768 -0.298 3.312 117 HD3 PRO 17 2HD PRO 17 6.833 0.680 4.791 118 H TYR 18 H TYR 18 1.756 1.680 2.499 119 HA TYR 18 HA TYR 18 2.359 0.523 -0.139 120 HB2 TYR 18 1HB TYR 18 0.034 -0.134 1.675 121 HB3 TYR 18 2HB TYR 18 0.046 -0.516 -0.042 122 HD1 TYR 18 1HD TYR 18 1.682 -2.170 -0.920 123 HD2 TYR 18 2HD TYR 18 1.220 -1.464 3.246 124 HE1 TYR 18 1HE TYR 18 2.816 -4.299 -0.441 125 HE2 TYR 18 2HE TYR 18 2.355 -3.586 3.739 126 HH TYR 18 HH TYR 18 3.184 -5.857 1.209 127 H CYS 19 H CYS 19 1.689 1.751 -1.780 128 HA CYS 19 HA CYS 19 0.112 4.121 -1.258 129 HB2 CYS 19 1HB CYS 19 1.110 3.108 -3.930 130 HB3 CYS 19 2HB CYS 19 0.590 4.744 -3.539 131 H CYS 20 H CYS 20 -1.994 3.809 -0.977 132 HA CYS 20 HA CYS 20 -3.313 1.649 -2.456 133 HB2 CYS 20 1HB CYS 20 -3.326 2.105 0.184 134 HB3 CYS 20 2HB CYS 20 -4.719 3.081 -0.271 135 H GLN 21 H GLN 21 -4.803 1.999 -3.939 136 HA GLN 21 HA GLN 21 -5.494 4.701 -4.683 137 HB2 GLN 21 1HB GLN 21 -6.836 2.347 -5.930 138 HB3 GLN 21 2HB GLN 21 -6.251 3.827 -6.677 139 HG2 GLN 21 1HG GLN 21 -4.241 1.960 -5.545 140 HG3 GLN 21 2HG GLN 21 -5.059 1.491 -7.033 141 HE21 GLN 21 1HE2 GLN 21 -2.858 1.597 -7.878 142 HE22 GLN 21 2HE2 GLN 21 -2.256 3.126 -8.433 143 H SER 22 H SER 22 -7.683 5.470 -4.873 144 HA SER 22 HA SER 22 -9.166 4.839 -2.494 145 HB2 SER 22 1HB SER 22 -10.481 6.710 -4.282 146 HB3 SER 22 2HB SER 22 -9.813 6.980 -2.670 147 HG SER 22 HG SER 22 -8.789 7.674 -5.077 148 H MET 23 H MET 23 -9.887 2.684 -2.999 149 HA MET 23 HA MET 23 -11.941 2.438 -5.049 150 HB2 MET 23 1HB MET 23 -10.657 0.528 -3.122 151 HB3 MET 23 2HB MET 23 -12.163 0.099 -3.917 152 HG2 MET 23 1HG MET 23 -11.012 -0.598 -5.664 153 HG3 MET 23 2HG MET 23 -10.463 1.056 -5.932 154 HE1 MET 23 3HE MET 23 -8.365 -1.594 -6.756 155 HE2 MET 23 1HE MET 23 -8.639 0.096 -7.187 156 HE3 MET 23 2HE MET 23 -7.096 -0.398 -6.487 157 H SER 24 H SER 24 -11.932 1.476 -1.632 158 HA SER 24 HA SER 24 -14.273 3.090 -1.086 159 HB2 SER 24 1HB SER 24 -15.351 0.910 -0.073 160 HB3 SER 24 2HB SER 24 -15.542 1.268 -1.790 161 HG SER 24 HG SER 24 -14.776 -0.704 -1.966 162 H GLY 25 H GLY 25 -12.481 0.304 0.224 163 HA2 GLY 25 1HA GLY 25 -11.010 0.462 2.101 164 HA3 GLY 25 2HA GLY 25 -11.867 1.911 2.610 165 H SER 26 H SER 26 -14.295 0.070 1.713 166 HA SER 26 HA SER 26 -14.565 -1.197 4.358 167 HB2 SER 26 1HB SER 26 -17.125 -0.867 3.222 168 HB3 SER 26 2HB SER 26 -16.430 0.026 4.573 169 HG SER 26 HG SER 26 -17.198 1.273 2.673 170 H ALA 27 H ALA 27 -13.378 -2.385 2.021 171 HA ALA 27 HA ALA 27 -14.832 -4.846 1.964 172 HB1 ALA 27 1HB ALA 27 -14.688 -4.568 -0.744 173 HB2 ALA 27 2HB ALA 27 -16.146 -4.324 0.216 174 HB3 ALA 27 3HB ALA 27 -15.150 -2.943 -0.245 175 H SER 28 H SER 28 -12.591 -3.114 -0.192 176 HA SER 28 HA SER 28 -10.383 -4.765 0.687 177 HB2 SER 28 1HB SER 28 -11.159 -4.729 -2.242 178 HB3 SER 28 2HB SER 28 -9.827 -5.619 -1.508 179 HG SER 28 HG SER 28 -12.043 -6.305 -0.228 180 H LEU 29 H LEU 29 -8.347 -3.854 0.103 181 HA LEU 29 HA LEU 29 -8.533 -1.124 -0.985 182 HB2 LEU 29 1HB LEU 29 -7.097 -2.236 1.366 183 HB3 LEU 29 2HB LEU 29 -6.274 -0.996 0.440 184 HG LEU 29 HG LEU 29 -7.315 0.245 2.076 185 HD11 LEU 29 1HD1 LEU 29 -7.921 1.240 -0.013 186 HD12 LEU 29 2HD1 LEU 29 -9.275 0.125 -0.210 187 HD13 LEU 29 3HD1 LEU 29 -9.314 1.344 1.065 188 HD21 LEU 29 3HD2 LEU 29 -10.026 -0.598 2.120 189 HD22 LEU 29 1HD2 LEU 29 -8.992 -2.015 2.309 190 HD23 LEU 29 2HD2 LEU 29 -8.827 -0.648 3.411 191 H GLY 30 H GLY 30 -7.353 -0.734 -2.754 192 HA2 GLY 30 1HA GLY 30 -5.503 -2.811 -3.667 193 HA3 GLY 30 2HA GLY 30 -6.179 -1.517 -4.651 194 H CYS 31 H CYS 31 -3.711 -2.388 -2.351 195 HA CYS 31 HA CYS 31 -2.357 0.151 -2.944 196 HB2 CYS 31 1HB CYS 31 -1.559 -0.989 -0.397 197 HB3 CYS 31 2HB CYS 31 -2.112 0.639 -0.776 198 H VAL 32 H VAL 32 -0.610 -0.212 -4.095 199 HA VAL 32 HA VAL 32 0.819 -2.733 -3.898 200 HB VAL 32 HB VAL 32 2.335 -0.960 -5.470 201 HG11 VAL 32 1HG1 VAL 32 1.863 -2.485 -7.227 202 HG12 VAL 32 2HG1 VAL 32 1.905 -3.418 -5.732 203 HG13 VAL 32 3HG1 VAL 32 0.355 -3.000 -6.465 204 HG21 VAL 32 3HG2 VAL 32 -0.048 0.254 -5.350 205 HG22 VAL 32 1HG2 VAL 32 0.970 0.278 -6.790 206 HG23 VAL 32 2HG2 VAL 32 -0.366 -0.868 -6.674 207 H VAL 33 H VAL 33 3.233 -2.661 -3.642 208 HA VAL 33 HA VAL 33 3.849 -1.536 -1.148 209 HB VAL 33 HB VAL 33 4.946 -3.564 -2.032 210 HG11 VAL 33 1HG1 VAL 33 6.340 -1.637 -3.878 211 HG12 VAL 33 2HG1 VAL 33 6.867 -3.295 -3.589 212 HG13 VAL 33 3HG1 VAL 33 5.296 -2.986 -4.324 213 HG21 VAL 33 3HG2 VAL 33 7.366 -2.768 -1.436 214 HG22 VAL 33 1HG2 VAL 33 6.550 -1.260 -1.021 215 HG23 VAL 33 2HG2 VAL 33 6.098 -2.761 -0.210 216 H GLY 34 H GLY 34 4.852 0.285 -0.515 217 HA2 GLY 34 1HA GLY 34 4.831 2.543 -2.186 218 HA3 GLY 34 2HA GLY 34 5.608 2.442 -0.613 219 H VAL 35 H VAL 35 6.124 2.987 -3.803 220 HA VAL 35 HA VAL 35 8.713 1.769 -4.053 221 HB VAL 35 HB VAL 35 8.686 3.623 -6.037 222 HG11 VAL 35 1HG1 VAL 35 7.732 1.766 -7.451 223 HG12 VAL 35 2HG1 VAL 35 9.124 1.339 -6.460 224 HG13 VAL 35 3HG1 VAL 35 7.503 0.858 -5.958 225 HG21 VAL 35 3HG2 VAL 35 5.854 2.762 -6.146 226 HG22 VAL 35 1HG2 VAL 35 6.245 4.087 -5.046 227 HG23 VAL 35 2HG2 VAL 35 6.621 4.224 -6.763 228 H ILE 36 H ILE 36 10.460 2.508 -3.141 229 HA ILE 36 HA ILE 36 10.570 4.848 -1.609 230 HB ILE 36 HB ILE 36 13.094 4.432 -1.632 231 HG12 ILE 36 2HG1 ILE 36 12.847 1.700 -2.506 232 HG13 ILE 36 1HG1 ILE 36 12.374 2.786 -3.810 233 HG21 ILE 36 1HG2 ILE 36 11.263 3.514 -0.030 234 HG22 ILE 36 2HG2 ILE 36 11.605 1.972 -0.814 235 HG23 ILE 36 3HG2 ILE 36 12.891 2.838 0.026 236 HD11 ILE 36 3HD1 ILE 36 15.007 2.434 -2.488 237 HD12 ILE 36 1HD1 ILE 36 14.610 2.607 -4.198 238 HD13 ILE 36 2HD1 ILE 36 14.592 4.020 -3.142 239 H GLY 37 H GLY 37 11.003 6.890 -2.057 240 HA2 GLY 37 1HA GLY 37 11.963 8.739 -3.041 241 HA3 GLY 37 2HA GLY 37 12.910 7.659 -4.055 242 H SER 38 H SER 38 9.397 7.601 -3.864 243 HA SER 38 HA SER 38 9.312 8.730 -6.580 244 HB2 SER 38 1HB SER 38 7.523 6.444 -5.816 245 HB3 SER 38 2HB SER 38 8.016 6.983 -7.421 246 HG SER 38 HG SER 38 9.680 5.738 -5.481 247 H GLN 39 H GLN 39 7.238 9.567 -7.239 248 HA GLN 39 HA GLN 39 5.776 10.735 -5.000 249 HB2 GLN 39 1HB GLN 39 6.587 11.752 -7.419 250 HB3 GLN 39 2HB GLN 39 4.898 11.380 -7.728 251 HG2 GLN 39 1HG GLN 39 5.152 13.670 -7.008 252 HG3 GLN 39 2HG GLN 39 4.243 12.745 -5.814 253 HE21 GLN 39 1HE2 GLN 39 4.690 13.878 -4.022 254 HE22 GLN 39 2HE2 GLN 39 6.281 14.090 -3.365 255 H CYS 40 H CYS 40 4.481 9.100 -4.224 256 HA CYS 40 HA CYS 40 2.903 7.497 -6.029 257 HB2 CYS 40 1HB CYS 40 3.510 7.504 -3.155 258 HB3 CYS 40 2HB CYS 40 1.852 7.045 -3.529 259 H GLY 41 H GLY 41 1.133 8.261 -6.964 260 HA2 GLY 41 1HA GLY 41 -0.230 10.573 -5.842 261 HA3 GLY 41 2HA GLY 41 -0.549 9.824 -7.400 262 H ALA 42 H ALA 42 -0.485 8.473 -4.143 263 HA ALA 42 HA ALA 42 -3.331 7.981 -4.153 264 HB1 ALA 42 1HB ALA 42 -1.635 5.535 -3.892 265 HB2 ALA 42 2HB ALA 42 -3.332 5.682 -4.355 266 HB3 ALA 42 3HB ALA 42 -2.065 6.121 -5.500 267 H SER 43 H SER 43 -4.041 7.071 -2.116 268 HA SER 43 HA SER 43 -2.778 8.278 0.082 269 HB2 SER 43 1HB SER 43 -4.524 6.246 1.009 270 HB3 SER 43 2HB SER 43 -4.863 7.970 0.852 271 HG SER 43 HG SER 43 -5.232 5.964 -1.133 272 H VAL 44 H VAL 44 -0.803 7.614 0.752 273 HA VAL 44 HA VAL 44 -0.029 4.839 0.710 274 HB VAL 44 HB VAL 44 1.444 7.065 2.120 275 HG11 VAL 44 1HG1 VAL 44 1.928 4.288 1.665 276 HG12 VAL 44 2HG1 VAL 44 3.152 5.232 0.818 277 HG13 VAL 44 3HG1 VAL 44 2.910 5.452 2.552 278 HG21 VAL 44 3HG2 VAL 44 0.805 7.540 -0.334 279 HG22 VAL 44 1HG2 VAL 44 2.492 7.723 0.146 280 HG23 VAL 44 2HG2 VAL 44 1.977 6.279 -0.726 281 H LYS 45 H LYS 45 -0.467 3.410 2.229 282 HA LYS 45 HA LYS 45 -0.978 4.361 4.975 283 HB2 LYS 45 1HB LYS 45 -2.195 1.809 4.018 284 HB3 LYS 45 2HB LYS 45 -2.779 2.939 5.230 285 HG2 LYS 45 1HG LYS 45 -2.845 4.327 2.790 286 HG3 LYS 45 2HG LYS 45 -3.483 2.715 2.460 287 HD2 LYS 45 1HD LYS 45 -5.000 2.991 4.418 288 HD3 LYS 45 2HD LYS 45 -4.432 4.655 4.562 289 HE2 LYS 45 2HE LYS 45 -5.113 4.723 2.006 290 HE3 LYS 45 1HE LYS 45 -6.178 3.409 2.502 291 HZ1 LYS 45 3HZ LYS 45 -6.145 5.818 4.162 292 HZ2 LYS 45 1HZ LYS 45 -7.434 4.782 3.780 293 HZ3 LYS 45 2HZ LYS 45 -6.907 5.929 2.648 294 H CYS 46 H CYS 46 -0.618 2.584 6.615 295 HA CYS 46 HA CYS 46 1.751 1.025 5.840 296 HB2 CYS 46 1HB CYS 46 0.901 1.554 8.681 297 HB3 CYS 46 2HB CYS 46 2.498 1.128 8.073 298 H CYS 47 H CYS 47 1.349 -1.047 5.422 299 HA CYS 47 HA CYS 47 -0.811 -2.349 6.939 300 HB2 CYS 47 1HB CYS 47 -0.288 -3.068 4.078 301 HB3 CYS 47 2HB CYS 47 -1.752 -3.289 5.029 302 H LYS 48 H LYS 48 -0.565 -4.530 7.383 303 HA LYS 48 HA LYS 48 1.991 -5.742 6.577 304 HB2 LYS 48 1HB LYS 48 0.851 -5.399 9.216 305 HB3 LYS 48 2HB LYS 48 1.077 -7.107 8.857 306 HG2 LYS 48 1HG LYS 48 3.436 -6.588 8.235 307 HG3 LYS 48 2HG LYS 48 3.169 -4.945 8.823 308 HD2 LYS 48 1HD LYS 48 3.944 -5.802 10.762 309 HD3 LYS 48 2HD LYS 48 2.280 -6.365 10.938 310 HE2 LYS 48 2HE LYS 48 3.018 -8.457 11.006 311 HE3 LYS 48 1HE LYS 48 3.632 -8.275 9.364 312 HZ1 LYS 48 3HZ LYS 48 5.286 -8.985 11.095 313 HZ2 LYS 48 1HZ LYS 48 5.172 -7.427 11.750 314 HZ3 LYS 48 2HZ LYS 48 5.743 -7.640 10.165 315 H ASP 49 H ASP 49 0.547 -6.267 4.702 316 HA ASP 49 HA ASP 49 -1.382 -8.389 5.223 317 HB2 ASP 49 1HB ASP 49 -1.578 -6.418 3.460 318 HB3 ASP 49 2HB ASP 49 -0.661 -7.532 2.448 319 H ASP 50 H ASP 50 -1.106 -9.968 2.979 320 HA ASP 50 HA ASP 50 1.382 -11.365 3.589 321 HB2 ASP 50 1HB ASP 50 -0.765 -12.630 3.479 322 HB3 ASP 50 2HB ASP 50 -0.886 -12.211 1.772 323 H VAL 51 H VAL 51 3.116 -10.685 2.500 324 HA VAL 51 HA VAL 51 2.769 -10.087 -0.357 325 HB VAL 51 HB VAL 51 2.956 -7.960 0.717 326 HG11 VAL 51 1HG1 VAL 51 5.232 -7.515 1.961 327 HG12 VAL 51 2HG1 VAL 51 3.835 -8.180 2.808 328 HG13 VAL 51 3HG1 VAL 51 5.135 -9.247 2.274 329 HG21 VAL 51 3HG2 VAL 51 5.179 -8.934 -0.938 330 HG22 VAL 51 1HG2 VAL 51 4.094 -7.565 -1.178 331 HG23 VAL 51 2HG2 VAL 51 5.477 -7.415 -0.093 332 H THR 52 H THR 52 3.468 -12.260 -0.745 333 HA THR 52 HA THR 52 6.259 -12.870 -0.237 334 HB THR 52 HB THR 52 4.497 -14.373 -2.162 335 HG1 THR 52 1HG THR 52 4.228 -14.118 0.603 336 HG21 THR 52 3HG2 THR 52 6.281 -15.710 -2.227 337 HG22 THR 52 1HG2 THR 52 6.014 -16.078 -0.523 338 HG23 THR 52 2HG2 THR 52 7.090 -14.755 -0.981 339 H ASN 53 H ASN 53 4.330 -11.351 -2.618 340 HA ASN 53 HA ASN 53 6.633 -10.472 -4.074 341 HB2 ASN 53 1HB ASN 53 5.748 -12.829 -5.010 342 HB3 ASN 53 2HB ASN 53 4.634 -11.769 -5.869 343 HD21 ASN 53 1HD2 ASN 53 5.833 -12.756 -7.721 344 HD22 ASN 53 2HD2 ASN 53 7.275 -11.963 -8.248 345 H THR 54 H THR 54 5.081 -9.714 -6.418 346 HA THR 54 HA THR 54 3.769 -7.401 -5.315 347 HB THR 54 HB THR 54 3.337 -7.611 -8.123 348 HG1 THR 54 1HG THR 54 6.084 -7.994 -7.462 349 HG21 THR 54 3HG2 THR 54 4.154 -5.727 -6.298 350 HG22 THR 54 1HG2 THR 54 4.107 -5.506 -8.047 351 HG23 THR 54 2HG2 THR 54 5.608 -5.992 -7.259 352 H GLY 55 H GLY 55 2.628 -10.246 -5.123 353 HA2 GLY 55 1HA GLY 55 0.545 -11.214 -5.116 354 HA3 GLY 55 2HA GLY 55 -0.122 -9.643 -5.549 355 H ASN 56 H ASN 56 -0.906 -9.400 -7.526 356 HA ASN 56 HA ASN 56 -0.147 -11.371 -9.576 357 HB2 ASN 56 1HB ASN 56 -2.618 -11.079 -8.857 358 HB3 ASN 56 2HB ASN 56 -2.550 -9.560 -9.747 359 HD21 ASN 56 1HD2 ASN 56 -2.698 -12.981 -9.938 360 HD22 ASN 56 2HD2 ASN 56 -2.858 -13.098 -11.664 361 H SER 57 H SER 57 -1.721 -8.320 -10.235 362 HA SER 57 HA SER 57 0.710 -7.325 -11.535 363 HB2 SER 57 1HB SER 57 -1.462 -5.544 -11.927 364 HB3 SER 57 2HB SER 57 -0.749 -6.645 -13.107 365 HG SER 57 HG SER 57 -2.382 -7.957 -12.880 366 H PHE 58 H PHE 58 -1.349 -6.926 -8.855 367 HA PHE 58 HA PHE 58 0.410 -5.082 -7.585 368 HB2 PHE 58 1HB PHE 58 -0.975 -3.203 -7.384 369 HB3 PHE 58 2HB PHE 58 -1.201 -3.680 -9.059 370 HD1 PHE 58 1HD PHE 58 -3.235 -5.390 -9.407 371 HD2 PHE 58 2HD PHE 58 -2.822 -2.652 -6.174 372 HE1 PHE 58 1HE PHE 58 -5.669 -5.447 -9.052 373 HE2 PHE 58 2HE PHE 58 -5.249 -2.708 -5.811 374 HZ PHE 58 HZ PHE 58 -6.679 -4.107 -7.249 375 H LEU 59 H LEU 59 -0.741 -4.501 -5.320 376 HA LEU 59 HA LEU 59 -1.593 -7.138 -4.350 377 HB2 LEU 59 1HB LEU 59 -0.174 -4.850 -3.008 378 HB3 LEU 59 2HB LEU 59 -0.833 -6.206 -2.112 379 HG LEU 59 HG LEU 59 0.863 -7.088 -4.300 380 HD11 LEU 59 1HD1 LEU 59 1.797 -4.861 -2.674 381 HD12 LEU 59 2HD1 LEU 59 2.846 -6.276 -2.584 382 HD13 LEU 59 3HD1 LEU 59 2.474 -5.553 -4.148 383 HD21 LEU 59 3HD2 LEU 59 1.879 -8.404 -2.517 384 HD22 LEU 59 1HD2 LEU 59 0.985 -7.477 -1.312 385 HD23 LEU 59 2HD2 LEU 59 0.120 -8.504 -2.455 386 H ILE 60 H ILE 60 -3.354 -7.417 -3.086 387 HA ILE 60 HA ILE 60 -5.050 -5.060 -2.601 388 HB ILE 60 HB ILE 60 -5.806 -7.922 -3.185 389 HG12 ILE 60 2HG1 ILE 60 -7.318 -5.789 -4.456 390 HG13 ILE 60 1HG1 ILE 60 -5.592 -5.654 -4.776 391 HG21 ILE 60 1HG2 ILE 60 -7.770 -7.782 -2.134 392 HG22 ILE 60 2HG2 ILE 60 -7.046 -6.451 -1.233 393 HG23 ILE 60 3HG2 ILE 60 -8.034 -6.118 -2.655 394 HD11 ILE 60 3HD1 ILE 60 -7.319 -7.159 -6.207 395 HD12 ILE 60 1HD1 ILE 60 -5.583 -7.439 -6.116 396 HD13 ILE 60 2HD1 ILE 60 -6.678 -8.353 -5.080 397 H ILE 61 H ILE 61 -5.293 -4.518 -0.546 398 HA ILE 61 HA ILE 61 -4.516 -6.486 1.509 399 HB ILE 61 HB ILE 61 -4.170 -3.479 1.599 400 HG12 ILE 61 2HG1 ILE 61 -1.914 -5.453 1.534 401 HG13 ILE 61 1HG1 ILE 61 -2.697 -4.971 0.030 402 HG21 ILE 61 1HG2 ILE 61 -3.193 -3.682 3.688 403 HG22 ILE 61 2HG2 ILE 61 -4.527 -4.834 3.782 404 HG23 ILE 61 3HG2 ILE 61 -2.883 -5.406 3.489 405 HD11 ILE 61 3HD1 ILE 61 -2.110 -2.687 0.388 406 HD12 ILE 61 1HD1 ILE 61 -1.506 -3.047 2.005 407 HD13 ILE 61 2HD1 ILE 61 -0.662 -3.674 0.590 408 H ASN 62 H ASN 62 -5.619 -6.426 3.502 409 HA ASN 62 HA ASN 62 -8.335 -5.357 3.334 410 HB2 ASN 62 1HB ASN 62 -7.707 -7.794 4.009 411 HB3 ASN 62 2HB ASN 62 -7.305 -7.081 5.568 412 HD21 ASN 62 1HD2 ASN 62 -9.136 -8.900 5.698 413 HD22 ASN 62 2HD2 ASN 62 -10.733 -8.241 5.863 414 H ALA 63 H ALA 63 -9.222 -4.064 4.992 415 HA ALA 63 HA ALA 63 -7.331 -2.206 6.118 416 HB1 ALA 63 1HB ALA 63 -9.800 -1.890 5.134 417 HB2 ALA 63 2HB ALA 63 -10.183 -2.006 6.852 418 HB3 ALA 63 3HB ALA 63 -9.065 -0.768 6.280 419 H ALA 64 H ALA 64 -8.111 -5.131 7.142 420 HA ALA 64 HA ALA 64 -8.553 -4.511 9.948 421 HB1 ALA 64 1HB ALA 64 -8.910 -6.828 10.274 422 HB2 ALA 64 2HB ALA 64 -9.687 -6.424 8.743 423 HB3 ALA 64 3HB ALA 64 -8.122 -7.238 8.752 424 H ASN 65 H ASN 65 -6.030 -5.755 7.835 425 HA ASN 65 HA ASN 65 -4.197 -5.876 10.124 426 HB2 ASN 65 1HB ASN 65 -2.682 -7.092 8.507 427 HB3 ASN 65 2HB ASN 65 -4.166 -7.931 8.935 428 HD21 ASN 65 1HD2 ASN 65 -2.285 -7.908 6.567 429 HD22 ASN 65 2HD2 ASN 65 -3.342 -7.762 5.195 430 H CYS 66 H CYS 66 -5.013 -3.994 7.440 431 HA CYS 66 HA CYS 66 -2.520 -2.462 7.655 432 HB2 CYS 66 1HB CYS 66 -3.336 -2.944 5.376 433 HB3 CYS 66 2HB CYS 66 -4.860 -2.149 5.755 434 H VAL 67 H VAL 67 -2.543 -0.281 8.340 435 HA VAL 67 HA VAL 67 -4.972 0.463 9.805 436 HB VAL 67 HB VAL 67 -3.411 2.311 10.750 437 HG11 VAL 67 1HG1 VAL 67 -2.331 -0.009 11.982 438 HG12 VAL 67 2HG1 VAL 67 -3.635 1.036 12.547 439 HG13 VAL 67 3HG1 VAL 67 -4.000 -0.350 11.521 440 HG21 VAL 67 3HG2 VAL 67 -1.056 1.721 10.849 441 HG22 VAL 67 1HG2 VAL 67 -1.344 0.321 9.815 442 HG23 VAL 67 2HG2 VAL 67 -1.563 1.951 9.174 443 H ALA 68 H ALA 68 -6.312 1.473 8.470 444 HA ALA 68 HA ALA 68 -5.274 3.407 6.541 445 HB1 ALA 68 1HB ALA 68 -7.809 3.415 5.909 446 HB2 ALA 68 2HB ALA 68 -6.790 2.047 5.453 447 HB3 ALA 68 3HB ALA 68 -7.851 1.928 6.858 Start of MODEL 9 1 H1 SER 1 1H SER 1 -4.008 14.828 -3.208 2 H2 SER 1 2H SER 1 -2.501 14.268 -2.679 3 H3 SER 1 3H SER 1 -3.829 13.210 -2.728 4 HA SER 1 HA SER 1 -3.884 13.226 -5.067 5 HB2 SER 1 1HB SER 1 -1.494 15.009 -5.266 6 HB3 SER 1 2HB SER 1 -2.832 14.791 -6.395 7 HG SER 1 HG SER 1 -3.280 16.714 -5.536 8 H ALA 2 H ALA 2 -0.855 13.581 -5.974 9 HA ALA 2 HA ALA 2 -0.135 10.867 -5.338 10 HB1 ALA 2 1HB ALA 2 0.539 11.369 -7.476 11 HB2 ALA 2 2HB ALA 2 1.004 13.019 -7.059 12 HB3 ALA 2 3HB ALA 2 2.033 11.667 -6.587 13 H THR 3 H THR 3 0.226 10.768 -3.136 14 HA THR 3 HA THR 3 1.905 12.639 -1.771 15 HB THR 3 HB THR 3 1.657 10.228 -0.283 16 HG1 THR 3 1HG THR 3 -0.309 9.525 -0.747 17 HG21 THR 3 3HG2 THR 3 1.605 12.237 0.904 18 HG22 THR 3 1HG2 THR 3 -0.083 11.722 0.941 19 HG23 THR 3 2HG2 THR 3 0.436 12.966 -0.195 20 H THR 4 H THR 4 4.023 12.533 -1.363 21 HA THR 4 HA THR 4 5.534 10.460 -2.753 22 HB THR 4 HB THR 4 6.786 12.806 -1.366 23 HG1 THR 4 1HG THR 4 4.837 13.038 -3.143 24 HG21 THR 4 3HG2 THR 4 8.534 11.771 -2.345 25 HG22 THR 4 1HG2 THR 4 7.941 12.526 -3.824 26 HG23 THR 4 2HG2 THR 4 7.502 10.861 -3.447 27 H ILE 5 H ILE 5 6.598 8.885 -1.755 28 HA ILE 5 HA ILE 5 6.919 9.065 1.168 29 HB ILE 5 HB ILE 5 6.700 6.729 1.382 30 HG12 ILE 5 2HG1 ILE 5 6.412 6.230 -1.553 31 HG13 ILE 5 1HG1 ILE 5 8.026 6.387 -0.871 32 HG21 ILE 5 1HG2 ILE 5 4.536 6.233 0.110 33 HG22 ILE 5 2HG2 ILE 5 4.552 7.603 1.221 34 HG23 ILE 5 3HG2 ILE 5 4.688 7.875 -0.518 35 HD11 ILE 5 3HD1 ILE 5 7.701 4.515 0.546 36 HD12 ILE 5 1HD1 ILE 5 5.978 4.459 0.173 37 HD13 ILE 5 2HD1 ILE 5 7.161 4.051 -1.068 38 H GLY 6 H GLY 6 8.898 8.546 2.061 39 HA2 GLY 6 1HA GLY 6 11.146 8.605 0.222 40 HA3 GLY 6 2HA GLY 6 11.228 8.730 1.974 41 HA PRO 7 HA PRO 7 12.588 4.445 1.120 42 HB2 PRO 7 1HB PRO 7 14.556 4.845 3.189 43 HB3 PRO 7 2HB PRO 7 14.816 4.588 1.464 44 HG2 PRO 7 1HG PRO 7 15.353 6.945 2.757 45 HG3 PRO 7 2HG PRO 7 14.975 6.825 1.029 46 HD2 PRO 7 1HD PRO 7 13.204 7.605 3.311 47 HD3 PRO 7 2HD PRO 7 13.302 8.292 1.674 48 H ASN 8 H ASN 8 11.267 6.128 3.708 49 HA ASN 8 HA ASN 8 10.286 3.733 4.942 50 HB2 ASN 8 1HB ASN 8 12.361 3.734 6.135 51 HB3 ASN 8 2HB ASN 8 12.279 5.473 6.408 52 HD21 ASN 8 1HD2 ASN 8 11.624 6.095 8.321 53 HD22 ASN 8 2HD2 ASN 8 10.665 5.165 9.424 54 H THR 9 H THR 9 8.214 4.399 4.815 55 HA THR 9 HA THR 9 7.544 7.078 5.781 56 HB THR 9 HB THR 9 5.362 5.441 4.708 57 HG1 THR 9 1HG THR 9 6.213 5.692 2.525 58 HG21 THR 9 3HG2 THR 9 4.606 7.447 4.016 59 HG22 THR 9 1HG2 THR 9 6.175 7.917 3.360 60 HG23 THR 9 2HG2 THR 9 5.848 8.099 5.084 61 H CYS 10 H CYS 10 7.507 3.849 6.846 62 HA CYS 10 HA CYS 10 5.478 4.504 8.874 63 HB2 CYS 10 1HB CYS 10 5.947 1.768 7.676 64 HB3 CYS 10 2HB CYS 10 4.698 2.212 8.836 65 H SER 11 H SER 11 7.338 5.219 10.127 66 HA SER 11 HA SER 11 9.330 3.294 10.916 67 HB2 SER 11 1HB SER 11 9.081 5.740 12.527 68 HB3 SER 11 2HB SER 11 10.478 5.091 11.669 69 HG SER 11 HG SER 11 8.317 6.578 10.564 70 H ILE 12 H ILE 12 7.314 1.922 11.592 71 HA ILE 12 HA ILE 12 6.865 2.371 14.475 72 HB ILE 12 HB ILE 12 5.073 0.607 12.835 73 HG12 ILE 12 2HG1 ILE 12 4.059 3.319 13.328 74 HG13 ILE 12 1HG1 ILE 12 5.389 3.255 12.175 75 HG21 ILE 12 1HG2 ILE 12 4.914 2.037 15.459 76 HG22 ILE 12 2HG2 ILE 12 3.449 1.522 14.622 77 HG23 ILE 12 3HG2 ILE 12 4.656 0.328 15.101 78 HD11 ILE 12 3HD1 ILE 12 3.762 1.212 11.343 79 HD12 ILE 12 1HD1 ILE 12 2.619 2.446 11.877 80 HD13 ILE 12 2HD1 ILE 12 3.830 2.834 10.656 81 H ASP 13 H ASP 13 6.959 -0.196 12.035 82 HA ASP 13 HA ASP 13 9.040 -1.644 13.244 83 HB2 ASP 13 1HB ASP 13 6.964 -2.076 14.791 84 HB3 ASP 13 2HB ASP 13 6.448 -3.144 13.489 85 H ASP 14 H ASP 14 7.405 -4.175 12.316 86 HA ASP 14 HA ASP 14 8.313 -4.038 9.593 87 HB2 ASP 14 1HB ASP 14 8.367 -6.117 11.090 88 HB3 ASP 14 2HB ASP 14 6.641 -6.260 10.757 89 H TYR 15 H TYR 15 6.842 -2.132 9.341 90 HA TYR 15 HA TYR 15 4.255 -3.031 8.265 91 HB2 TYR 15 1HB TYR 15 4.970 -0.565 9.825 92 HB3 TYR 15 2HB TYR 15 3.653 -0.504 8.657 93 HD1 TYR 15 1HD TYR 15 1.722 -2.121 8.949 94 HD2 TYR 15 2HD TYR 15 4.640 -1.454 11.971 95 HE1 TYR 15 1HE TYR 15 0.185 -3.049 10.629 96 HE2 TYR 15 2HE TYR 15 3.114 -2.379 13.659 97 HH TYR 15 HH TYR 15 0.595 -2.657 13.908 98 H LYS 16 H LYS 16 4.123 -2.792 6.132 99 HA LYS 16 HA LYS 16 6.276 -1.353 4.797 100 HB2 LYS 16 1HB LYS 16 4.329 -3.469 3.968 101 HB3 LYS 16 2HB LYS 16 5.119 -2.487 2.742 102 HG2 LYS 16 1HG LYS 16 6.948 -3.725 2.865 103 HG3 LYS 16 2HG LYS 16 7.072 -3.437 4.603 104 HD2 LYS 16 1HD LYS 16 4.994 -5.358 3.807 105 HD3 LYS 16 2HD LYS 16 6.649 -5.871 3.461 106 HE2 LYS 16 2HE LYS 16 6.354 -4.691 6.109 107 HE3 LYS 16 1HE LYS 16 5.336 -6.111 5.879 108 HZ1 LYS 16 3HZ LYS 16 8.164 -6.216 5.074 109 HZ2 LYS 16 1HZ LYS 16 7.139 -7.470 5.578 110 HZ3 LYS 16 2HZ LYS 16 7.761 -6.375 6.714 111 HA PRO 17 HA PRO 17 3.492 1.933 3.733 112 HB2 PRO 17 1HB PRO 17 5.167 3.316 2.123 113 HB3 PRO 17 2HB PRO 17 5.345 3.294 3.879 114 HG2 PRO 17 1HG PRO 17 6.891 1.839 1.797 115 HG3 PRO 17 2HG PRO 17 7.435 2.508 3.344 116 HD2 PRO 17 1HD PRO 17 6.861 -0.170 2.858 117 HD3 PRO 17 2HD PRO 17 6.953 0.590 4.457 118 H TYR 18 H TYR 18 1.899 1.076 2.507 119 HA TYR 18 HA TYR 18 2.516 0.272 -0.245 120 HB2 TYR 18 1HB TYR 18 0.224 -0.336 1.612 121 HB3 TYR 18 2HB TYR 18 0.154 -0.695 -0.110 122 HD1 TYR 18 1HD TYR 18 2.426 -1.956 -0.948 123 HD2 TYR 18 2HD TYR 18 0.767 -2.106 2.967 124 HE1 TYR 18 1HE TYR 18 3.560 -4.102 -0.554 125 HE2 TYR 18 2HE TYR 18 1.897 -4.250 3.368 126 HH TYR 18 HH TYR 18 2.800 -6.224 1.523 127 H CYS 19 H CYS 19 1.843 1.406 -1.922 128 HA CYS 19 HA CYS 19 0.331 3.828 -1.562 129 HB2 CYS 19 1HB CYS 19 0.932 2.608 -4.235 130 HB3 CYS 19 2HB CYS 19 0.881 4.306 -3.777 131 H CYS 20 H CYS 20 -1.761 3.430 -0.996 132 HA CYS 20 HA CYS 20 -3.207 1.345 -2.474 133 HB2 CYS 20 1HB CYS 20 -3.067 2.003 0.281 134 HB3 CYS 20 2HB CYS 20 -4.710 2.334 -0.258 135 H GLN 21 H GLN 21 -4.455 1.997 -4.044 136 HA GLN 21 HA GLN 21 -5.515 4.686 -4.150 137 HB2 GLN 21 1HB GLN 21 -6.620 2.709 -6.029 138 HB3 GLN 21 2HB GLN 21 -5.904 4.280 -6.348 139 HG2 GLN 21 1HG GLN 21 -4.249 1.882 -5.644 140 HG3 GLN 21 2HG GLN 21 -4.737 2.243 -7.299 141 HE21 GLN 21 1HE2 GLN 21 -2.112 2.243 -5.754 142 HE22 GLN 21 2HE2 GLN 21 -1.391 3.756 -6.182 143 H SER 22 H SER 22 -7.293 5.247 -3.081 144 HA SER 22 HA SER 22 -9.002 3.247 -1.923 145 HB2 SER 22 1HB SER 22 -10.057 5.896 -1.636 146 HB3 SER 22 2HB SER 22 -9.316 4.867 -0.409 147 HG SER 22 HG SER 22 -7.334 5.745 -0.860 148 H MET 23 H MET 23 -11.227 2.989 -2.303 149 HA MET 23 HA MET 23 -12.073 3.914 -4.971 150 HB2 MET 23 1HB MET 23 -12.599 1.348 -3.480 151 HB3 MET 23 2HB MET 23 -13.602 1.850 -4.834 152 HG2 MET 23 1HG MET 23 -12.061 1.297 -6.345 153 HG3 MET 23 2HG MET 23 -10.735 1.934 -5.375 154 HE1 MET 23 3HE MET 23 -9.008 0.556 -5.409 155 HE2 MET 23 1HE MET 23 -8.901 -1.156 -5.004 156 HE3 MET 23 2HE MET 23 -9.488 -0.661 -6.592 157 H SER 24 H SER 24 -14.759 2.849 -4.522 158 HA SER 24 HA SER 24 -15.848 5.152 -3.135 159 HB2 SER 24 1HB SER 24 -17.822 3.300 -4.141 160 HB3 SER 24 2HB SER 24 -17.486 4.955 -4.654 161 HG SER 24 HG SER 24 -15.756 4.082 -5.939 162 H GLY 25 H GLY 25 -18.365 3.512 -2.590 163 HA2 GLY 25 1HA GLY 25 -17.694 2.781 0.107 164 HA3 GLY 25 2HA GLY 25 -19.273 2.645 -0.650 165 H SER 26 H SER 26 -16.055 1.178 -0.990 166 HA SER 26 HA SER 26 -17.356 -1.462 -1.039 167 HB2 SER 26 1HB SER 26 -14.772 -1.148 -2.449 168 HB3 SER 26 2HB SER 26 -16.191 -2.099 -2.890 169 HG SER 26 HG SER 26 -17.162 -0.286 -3.705 170 H ALA 27 H ALA 27 -16.274 -3.143 0.009 171 HA ALA 27 HA ALA 27 -14.347 -2.310 2.022 172 HB1 ALA 27 1HB ALA 27 -16.393 -4.146 2.016 173 HB2 ALA 27 2HB ALA 27 -14.957 -5.161 1.879 174 HB3 ALA 27 3HB ALA 27 -15.115 -4.037 3.226 175 H SER 28 H SER 28 -13.330 -2.051 -0.504 176 HA SER 28 HA SER 28 -11.266 -4.127 -0.571 177 HB2 SER 28 1HB SER 28 -12.314 -2.927 -3.122 178 HB3 SER 28 2HB SER 28 -11.427 -4.433 -2.889 179 HG SER 28 HG SER 28 -13.297 -5.277 -1.854 180 H LEU 29 H LEU 29 -9.236 -3.409 -1.242 181 HA LEU 29 HA LEU 29 -8.953 -0.513 -1.642 182 HB2 LEU 29 1HB LEU 29 -7.979 -2.084 0.520 183 HB3 LEU 29 2HB LEU 29 -6.598 -1.609 -0.448 184 HG LEU 29 HG LEU 29 -7.089 0.722 -0.144 185 HD11 LEU 29 1HD1 LEU 29 -9.224 0.616 1.756 186 HD12 LEU 29 2HD1 LEU 29 -9.126 1.503 0.234 187 HD13 LEU 29 3HD1 LEU 29 -9.727 -0.156 0.252 188 HD21 LEU 29 3HD2 LEU 29 -5.954 -0.614 1.690 189 HD22 LEU 29 1HD2 LEU 29 -6.636 0.945 2.153 190 HD23 LEU 29 2HD2 LEU 29 -7.492 -0.544 2.550 191 H GLY 30 H GLY 30 -6.350 -0.316 -2.271 192 HA2 GLY 30 1HA GLY 30 -5.746 -2.297 -4.320 193 HA3 GLY 30 2HA GLY 30 -6.109 -0.672 -4.887 194 H CYS 31 H CYS 31 -3.951 -2.567 -2.875 195 HA CYS 31 HA CYS 31 -2.193 -0.270 -2.537 196 HB2 CYS 31 1HB CYS 31 -2.638 -2.830 -1.117 197 HB3 CYS 31 2HB CYS 31 -0.985 -2.224 -1.126 198 H VAL 32 H VAL 32 -0.157 -0.139 -3.304 199 HA VAL 32 HA VAL 32 1.012 -2.514 -4.584 200 HB VAL 32 HB VAL 32 2.000 0.020 -5.675 201 HG11 VAL 32 1HG1 VAL 32 0.798 -2.046 -7.397 202 HG12 VAL 32 2HG1 VAL 32 2.366 -1.247 -7.505 203 HG13 VAL 32 3HG1 VAL 32 2.128 -2.576 -6.368 204 HG21 VAL 32 3HG2 VAL 32 0.175 0.865 -6.733 205 HG22 VAL 32 1HG2 VAL 32 -0.633 -0.699 -6.830 206 HG23 VAL 32 2HG2 VAL 32 -0.641 0.207 -5.317 207 H VAL 33 H VAL 33 3.393 -2.492 -4.522 208 HA VAL 33 HA VAL 33 4.291 -1.785 -1.937 209 HB VAL 33 HB VAL 33 5.205 -3.724 -3.145 210 HG11 VAL 33 1HG1 VAL 33 7.116 -2.239 -4.765 211 HG12 VAL 33 2HG1 VAL 33 6.135 -3.648 -5.172 212 HG13 VAL 33 3HG1 VAL 33 5.446 -2.029 -5.293 213 HG21 VAL 33 3HG2 VAL 33 7.748 -2.544 -2.897 214 HG22 VAL 33 1HG2 VAL 33 6.705 -1.755 -1.713 215 HG23 VAL 33 2HG2 VAL 33 6.878 -3.510 -1.706 216 H GLY 34 H GLY 34 5.415 -0.074 -1.196 217 HA2 GLY 34 1HA GLY 34 5.352 2.384 -2.474 218 HA3 GLY 34 2HA GLY 34 6.395 1.987 -1.116 219 H VAL 35 H VAL 35 6.555 3.389 -3.913 220 HA VAL 35 HA VAL 35 8.547 1.972 -5.355 221 HB VAL 35 HB VAL 35 8.478 4.890 -5.748 222 HG11 VAL 35 1HG1 VAL 35 9.458 3.970 -7.546 223 HG12 VAL 35 2HG1 VAL 35 8.655 2.416 -7.321 224 HG13 VAL 35 3HG1 VAL 35 7.799 3.748 -8.101 225 HG21 VAL 35 3HG2 VAL 35 6.140 4.029 -7.039 226 HG22 VAL 35 1HG2 VAL 35 6.002 3.481 -5.367 227 HG23 VAL 35 2HG2 VAL 35 6.275 5.187 -5.717 228 H ILE 36 H ILE 36 8.654 4.020 -2.618 229 HA ILE 36 HA ILE 36 10.331 4.710 -1.258 230 HB ILE 36 HB ILE 36 12.097 2.985 -3.000 231 HG12 ILE 36 2HG1 ILE 36 10.346 1.705 -1.878 232 HG13 ILE 36 1HG1 ILE 36 11.915 1.354 -1.165 233 HG21 ILE 36 1HG2 ILE 36 13.813 3.916 -1.936 234 HG22 ILE 36 2HG2 ILE 36 12.734 4.831 -0.882 235 HG23 ILE 36 3HG2 ILE 36 13.202 3.187 -0.449 236 HD11 ILE 36 3HD1 ILE 36 9.607 2.031 0.182 237 HD12 ILE 36 1HD1 ILE 36 11.243 2.011 0.842 238 HD13 ILE 36 2HD1 ILE 36 10.566 3.512 0.211 239 H GLY 37 H GLY 37 10.506 6.845 -1.546 240 HA2 GLY 37 1HA GLY 37 11.697 8.766 -2.095 241 HA3 GLY 37 2HA GLY 37 12.669 7.812 -3.209 242 H SER 38 H SER 38 9.226 7.617 -3.376 243 HA SER 38 HA SER 38 9.059 9.541 -5.545 244 HB2 SER 38 1HB SER 38 8.219 6.690 -6.069 245 HB3 SER 38 2HB SER 38 8.403 8.006 -7.231 246 HG SER 38 HG SER 38 10.740 7.817 -6.180 247 H GLN 39 H GLN 39 6.711 9.431 -6.469 248 HA GLN 39 HA GLN 39 4.973 9.748 -4.190 249 HB2 GLN 39 1HB GLN 39 3.884 9.926 -6.950 250 HB3 GLN 39 2HB GLN 39 3.592 10.957 -5.559 251 HG2 GLN 39 1HG GLN 39 4.786 12.402 -6.817 252 HG3 GLN 39 2HG GLN 39 6.126 11.610 -5.989 253 HE21 GLN 39 1HE2 GLN 39 7.656 11.836 -7.541 254 HE22 GLN 39 2HE2 GLN 39 7.552 11.095 -9.107 255 H CYS 40 H CYS 40 3.279 8.489 -3.609 256 HA CYS 40 HA CYS 40 3.163 5.827 -4.763 257 HB2 CYS 40 1HB CYS 40 2.308 7.112 -2.248 258 HB3 CYS 40 2HB CYS 40 1.248 5.834 -2.831 259 H GLY 41 H GLY 41 1.507 8.781 -5.058 260 HA2 GLY 41 1HA GLY 41 -0.051 9.320 -6.691 261 HA3 GLY 41 2HA GLY 41 -0.249 7.608 -7.029 262 H ALA 42 H ALA 42 -0.649 7.465 -3.907 263 HA ALA 42 HA ALA 42 -3.239 8.662 -3.570 264 HB1 ALA 42 1HB ALA 42 -4.614 6.882 -3.829 265 HB2 ALA 42 2HB ALA 42 -3.352 6.365 -4.948 266 HB3 ALA 42 3HB ALA 42 -3.392 5.723 -3.306 267 H SER 43 H SER 43 -4.169 6.882 -1.584 268 HA SER 43 HA SER 43 -2.913 7.938 0.668 269 HB2 SER 43 1HB SER 43 -4.439 5.395 0.922 270 HB3 SER 43 2HB SER 43 -4.573 6.891 1.848 271 HG SER 43 HG SER 43 -5.761 7.799 0.234 272 H VAL 44 H VAL 44 -1.167 7.396 1.762 273 HA VAL 44 HA VAL 44 0.278 4.969 1.078 274 HB VAL 44 HB VAL 44 1.095 6.989 3.162 275 HG11 VAL 44 1HG1 VAL 44 2.291 4.819 3.062 276 HG12 VAL 44 2HG1 VAL 44 2.744 5.180 1.396 277 HG13 VAL 44 3HG1 VAL 44 3.328 6.202 2.711 278 HG21 VAL 44 3HG2 VAL 44 0.563 7.795 0.667 279 HG22 VAL 44 1HG2 VAL 44 1.884 8.461 1.628 280 HG23 VAL 44 2HG2 VAL 44 2.209 7.206 0.431 281 H LYS 45 H LYS 45 -0.543 3.197 1.984 282 HA LYS 45 HA LYS 45 -1.632 3.317 4.684 283 HB2 LYS 45 1HB LYS 45 -1.679 1.180 2.553 284 HB3 LYS 45 2HB LYS 45 -2.289 0.914 4.180 285 HG2 LYS 45 1HG LYS 45 -3.321 2.875 2.145 286 HG3 LYS 45 2HG LYS 45 -4.122 1.421 2.741 287 HD2 LYS 45 1HD LYS 45 -3.321 3.544 4.677 288 HD3 LYS 45 2HD LYS 45 -4.759 3.782 3.685 289 HE2 LYS 45 2HE LYS 45 -5.669 1.659 4.515 290 HE3 LYS 45 1HE LYS 45 -4.237 1.447 5.524 291 HZ1 LYS 45 3HZ LYS 45 -4.885 3.725 6.471 292 HZ2 LYS 45 1HZ LYS 45 -5.785 2.373 6.961 293 HZ3 LYS 45 2HZ LYS 45 -6.411 3.425 5.790 294 H CYS 46 H CYS 46 -0.587 2.633 6.415 295 HA CYS 46 HA CYS 46 1.941 1.194 6.087 296 HB2 CYS 46 1HB CYS 46 0.633 2.500 8.486 297 HB3 CYS 46 2HB CYS 46 2.110 1.547 8.595 298 H CYS 47 H CYS 47 1.109 -0.800 5.431 299 HA CYS 47 HA CYS 47 -0.754 -2.102 7.297 300 HB2 CYS 47 1HB CYS 47 -1.162 -1.669 4.684 301 HB3 CYS 47 2HB CYS 47 -0.334 -3.220 4.580 302 H LYS 48 H LYS 48 -0.430 -4.188 7.973 303 HA LYS 48 HA LYS 48 2.287 -5.240 7.672 304 HB2 LYS 48 1HB LYS 48 1.103 -5.052 9.930 305 HB3 LYS 48 2HB LYS 48 0.056 -6.357 9.378 306 HG2 LYS 48 1HG LYS 48 2.819 -7.056 8.990 307 HG3 LYS 48 2HG LYS 48 2.531 -6.580 10.663 308 HD2 LYS 48 1HD LYS 48 1.559 -8.539 11.072 309 HD3 LYS 48 2HD LYS 48 0.374 -8.237 9.800 310 HE2 LYS 48 2HE LYS 48 1.736 -9.270 8.159 311 HE3 LYS 48 1HE LYS 48 3.133 -9.297 9.235 312 HZ1 LYS 48 3HZ LYS 48 1.049 -10.677 10.489 313 HZ2 LYS 48 1HZ LYS 48 2.518 -11.296 9.910 314 HZ3 LYS 48 2HZ LYS 48 1.158 -11.262 8.898 315 H ASP 49 H ASP 49 -1.082 -6.178 7.347 316 HA ASP 49 HA ASP 49 -2.165 -7.835 6.260 317 HB2 ASP 49 1HB ASP 49 -1.337 -6.570 4.304 318 HB3 ASP 49 2HB ASP 49 0.129 -7.548 4.298 319 H ASP 50 H ASP 50 0.366 -9.296 4.632 320 HA ASP 50 HA ASP 50 1.501 -10.940 6.619 321 HB2 ASP 50 1HB ASP 50 -1.046 -11.760 6.109 322 HB3 ASP 50 2HB ASP 50 -0.158 -12.681 4.898 323 H VAL 51 H VAL 51 0.516 -10.462 3.305 324 HA VAL 51 HA VAL 51 1.718 -10.286 1.398 325 HB VAL 51 HB VAL 51 4.171 -10.662 3.120 326 HG11 VAL 51 1HG1 VAL 51 5.033 -9.195 1.066 327 HG12 VAL 51 2HG1 VAL 51 5.059 -10.959 1.051 328 HG13 VAL 51 3HG1 VAL 51 3.754 -10.091 0.244 329 HG21 VAL 51 3HG2 VAL 51 3.929 -7.995 2.278 330 HG22 VAL 51 1HG2 VAL 51 2.337 -8.464 2.875 331 HG23 VAL 51 2HG2 VAL 51 3.752 -8.627 3.916 332 H THR 52 H THR 52 1.433 -11.868 0.007 333 HA THR 52 HA THR 52 2.238 -14.574 0.561 334 HB THR 52 HB THR 52 0.222 -14.168 -0.776 335 HG1 THR 52 1HG THR 52 0.617 -15.822 -2.098 336 HG21 THR 52 3HG2 THR 52 1.826 -13.294 -3.129 337 HG22 THR 52 1HG2 THR 52 1.405 -12.095 -1.906 338 HG23 THR 52 2HG2 THR 52 0.133 -12.989 -2.739 339 H ASN 53 H ASN 53 3.823 -15.745 -0.695 340 HA ASN 53 HA ASN 53 6.177 -14.123 -1.046 341 HB2 ASN 53 1HB ASN 53 7.338 -16.016 -0.640 342 HB3 ASN 53 2HB ASN 53 5.783 -16.652 -0.124 343 HD21 ASN 53 1HD2 ASN 53 8.415 -17.395 -1.811 344 HD22 ASN 53 2HD2 ASN 53 7.750 -18.508 -2.962 345 H THR 54 H THR 54 3.694 -15.091 -3.052 346 HA THR 54 HA THR 54 5.289 -15.135 -5.480 347 HB THR 54 HB THR 54 2.310 -14.962 -5.528 348 HG1 THR 54 1HG THR 54 3.749 -16.852 -4.154 349 HG21 THR 54 3HG2 THR 54 4.213 -15.378 -7.436 350 HG22 THR 54 1HG2 THR 54 2.533 -15.891 -7.574 351 HG23 THR 54 2HG2 THR 54 3.761 -17.034 -7.025 352 H GLY 55 H GLY 55 5.847 -13.331 -6.518 353 HA2 GLY 55 1HA GLY 55 4.875 -10.774 -5.641 354 HA3 GLY 55 2HA GLY 55 6.064 -11.065 -6.900 355 H ASN 56 H ASN 56 3.986 -9.146 -6.985 356 HA ASN 56 HA ASN 56 2.866 -9.791 -9.545 357 HB2 ASN 56 1HB ASN 56 1.290 -10.656 -7.564 358 HB3 ASN 56 2HB ASN 56 0.786 -8.970 -7.565 359 HD21 ASN 56 1HD2 ASN 56 -0.242 -11.776 -8.543 360 HD22 ASN 56 2HD2 ASN 56 -0.964 -11.390 -10.065 361 H SER 57 H SER 57 1.553 -7.873 -10.363 362 HA SER 57 HA SER 57 3.016 -5.466 -9.782 363 HB2 SER 57 1HB SER 57 0.906 -4.789 -11.462 364 HB3 SER 57 2HB SER 57 2.535 -5.241 -11.967 365 HG SER 57 HG SER 57 0.171 -6.673 -12.085 366 H PHE 58 H PHE 58 0.255 -6.930 -8.528 367 HA PHE 58 HA PHE 58 -0.565 -4.420 -7.261 368 HB2 PHE 58 1HB PHE 58 -2.029 -5.457 -9.281 369 HB3 PHE 58 2HB PHE 58 -2.733 -6.323 -7.920 370 HD1 PHE 58 2HD PHE 58 -1.578 -2.825 -8.537 371 HD2 PHE 58 1HD PHE 58 -4.681 -5.397 -7.177 372 HE1 PHE 58 2HE PHE 58 -2.965 -0.863 -8.021 373 HE2 PHE 58 1HE PHE 58 -6.079 -3.440 -6.655 374 HZ PHE 58 HZ PHE 58 -5.221 -1.170 -7.076 375 H LEU 59 H LEU 59 -0.943 -4.589 -5.140 376 HA LEU 59 HA LEU 59 -1.156 -7.291 -3.977 377 HB2 LEU 59 1HB LEU 59 0.061 -4.794 -2.781 378 HB3 LEU 59 2HB LEU 59 -0.163 -6.307 -1.924 379 HG LEU 59 HG LEU 59 1.318 -6.697 -4.388 380 HD11 LEU 59 1HD1 LEU 59 2.714 -4.978 -4.354 381 HD12 LEU 59 2HD1 LEU 59 1.938 -4.331 -2.907 382 HD13 LEU 59 3HD1 LEU 59 3.258 -5.489 -2.756 383 HD21 LEU 59 3HD2 LEU 59 2.904 -7.747 -2.774 384 HD22 LEU 59 1HD2 LEU 59 1.846 -7.217 -1.468 385 HD23 LEU 59 2HD2 LEU 59 1.255 -8.365 -2.670 386 H ILE 60 H ILE 60 -3.366 -7.423 -3.894 387 HA ILE 60 HA ILE 60 -4.954 -5.136 -3.163 388 HB ILE 60 HB ILE 60 -6.164 -7.855 -3.327 389 HG12 ILE 60 2HG1 ILE 60 -5.340 -6.285 -5.777 390 HG13 ILE 60 1HG1 ILE 60 -4.457 -7.684 -5.173 391 HG21 ILE 60 1HG2 ILE 60 -7.195 -5.370 -3.057 392 HG22 ILE 60 2HG2 ILE 60 -7.249 -5.558 -4.809 393 HG23 ILE 60 3HG2 ILE 60 -8.064 -6.729 -3.770 394 HD11 ILE 60 3HD1 ILE 60 -6.830 -7.558 -6.802 395 HD12 ILE 60 1HD1 ILE 60 -5.750 -8.914 -6.477 396 HD13 ILE 60 2HD1 ILE 60 -7.076 -8.559 -5.371 397 H ILE 61 H ILE 61 -3.815 -5.005 -1.044 398 HA ILE 61 HA ILE 61 -4.736 -6.800 1.032 399 HB ILE 61 HB ILE 61 -3.328 -4.141 1.367 400 HG12 ILE 61 2HG1 ILE 61 -1.607 -6.417 1.729 401 HG13 ILE 61 1HG1 ILE 61 -2.330 -6.470 0.122 402 HG21 ILE 61 1HG2 ILE 61 -4.483 -5.759 3.248 403 HG22 ILE 61 2HG2 ILE 61 -2.800 -6.284 3.273 404 HG23 ILE 61 3HG2 ILE 61 -3.199 -4.590 3.551 405 HD11 ILE 61 3HD1 ILE 61 -0.082 -5.140 0.701 406 HD12 ILE 61 1HD1 ILE 61 -1.191 -4.669 -0.589 407 HD13 ILE 61 2HD1 ILE 61 -1.267 -3.864 0.979 408 H ASN 62 H ASN 62 -6.105 -6.135 2.775 409 HA ASN 62 HA ASN 62 -8.027 -4.067 1.986 410 HB2 ASN 62 1HB ASN 62 -8.570 -6.587 2.697 411 HB3 ASN 62 2HB ASN 62 -8.554 -5.866 4.302 412 HD21 ASN 62 1HD2 ASN 62 -10.808 -7.014 3.079 413 HD22 ASN 62 2HD2 ASN 62 -11.980 -5.760 2.837 414 H ALA 63 H ALA 63 -8.913 -2.707 3.719 415 HA ALA 63 HA ALA 63 -6.776 -1.566 5.271 416 HB1 ALA 63 1HB ALA 63 -8.871 -0.457 4.051 417 HB2 ALA 63 2HB ALA 63 -9.559 -0.634 5.666 418 HB3 ALA 63 3HB ALA 63 -8.073 0.288 5.434 419 H ALA 64 H ALA 64 -6.952 -3.997 6.230 420 HA ALA 64 HA ALA 64 -8.525 -3.829 8.716 421 HB1 ALA 64 1HB ALA 64 -9.259 -5.883 8.311 422 HB2 ALA 64 2HB ALA 64 -8.417 -5.853 6.761 423 HB3 ALA 64 3HB ALA 64 -7.606 -6.486 8.194 424 H ASN 65 H ASN 65 -5.419 -4.854 7.339 425 HA ASN 65 HA ASN 65 -4.329 -5.084 10.060 426 HB2 ASN 65 1HB ASN 65 -2.671 -5.904 7.747 427 HB3 ASN 65 2HB ASN 65 -2.878 -6.678 9.314 428 HD21 ASN 65 1HD2 ASN 65 -3.575 -6.792 6.065 429 HD22 ASN 65 2HD2 ASN 65 -4.792 -8.015 6.104 430 H CYS 66 H CYS 66 -4.731 -2.665 8.165 431 HA CYS 66 HA CYS 66 -1.981 -1.641 8.312 432 HB2 CYS 66 1HB CYS 66 -4.065 -0.019 6.974 433 HB3 CYS 66 2HB CYS 66 -2.398 -0.323 6.502 434 H VAL 67 H VAL 67 -1.484 -0.271 9.883 435 HA VAL 67 HA VAL 67 -3.527 0.519 11.749 436 HB VAL 67 HB VAL 67 -1.569 1.641 12.940 437 HG11 VAL 67 1HG1 VAL 67 -1.977 -0.288 14.013 438 HG12 VAL 67 2HG1 VAL 67 -2.087 -1.216 12.519 439 HG13 VAL 67 3HG1 VAL 67 -0.508 -0.844 13.210 440 HG21 VAL 67 3HG2 VAL 67 0.092 0.041 11.002 441 HG22 VAL 67 1HG2 VAL 67 -0.171 1.778 10.847 442 HG23 VAL 67 2HG2 VAL 67 0.650 1.135 12.268 443 H ALA 68 H ALA 68 -1.991 1.926 9.055 444 HA ALA 68 HA ALA 68 -3.424 4.419 9.512 445 HB1 ALA 68 1HB ALA 68 -0.458 4.165 9.226 446 HB2 ALA 68 2HB ALA 68 -1.280 5.582 8.573 447 HB3 ALA 68 3HB ALA 68 -1.395 5.211 10.294 Start of MODEL 10 1 H1 SER 1 1H SER 1 -3.742 12.264 -5.428 2 H2 SER 1 2H SER 1 -4.492 13.776 -5.545 3 H3 SER 1 3H SER 1 -4.662 12.854 -4.134 4 HA SER 1 HA SER 1 -2.705 14.748 -4.762 5 HB2 SER 1 1HB SER 1 -2.249 13.229 -2.329 6 HB3 SER 1 2HB SER 1 -2.759 14.907 -2.517 7 HG SER 1 HG SER 1 -4.374 13.728 -1.465 8 H ALA 2 H ALA 2 -0.582 14.612 -5.187 9 HA ALA 2 HA ALA 2 0.506 11.937 -5.664 10 HB1 ALA 2 1HB ALA 2 1.550 14.643 -6.496 11 HB2 ALA 2 2HB ALA 2 2.261 13.088 -6.932 12 HB3 ALA 2 3HB ALA 2 0.651 13.516 -7.513 13 H THR 3 H THR 3 0.930 11.352 -3.521 14 HA THR 3 HA THR 3 2.596 13.001 -1.854 15 HB THR 3 HB THR 3 2.523 10.283 -0.952 16 HG1 THR 3 1HG THR 3 0.664 10.035 -2.252 17 HG21 THR 3 3HG2 THR 3 2.077 12.928 0.008 18 HG22 THR 3 1HG2 THR 3 2.366 11.453 0.932 19 HG23 THR 3 2HG2 THR 3 0.720 11.914 0.500 20 H THR 4 H THR 4 4.729 12.990 -1.741 21 HA THR 4 HA THR 4 6.204 11.058 -3.368 22 HB THR 4 HB THR 4 7.847 13.110 -2.169 23 HG1 THR 4 1HG THR 4 5.531 13.949 -3.618 24 HG21 THR 4 3HG2 THR 4 7.067 12.481 -5.017 25 HG22 THR 4 1HG2 THR 4 8.481 11.873 -4.157 26 HG23 THR 4 2HG2 THR 4 8.356 13.589 -4.547 27 H ILE 5 H ILE 5 7.103 9.374 -2.378 28 HA ILE 5 HA ILE 5 7.640 9.574 0.503 29 HB ILE 5 HB ILE 5 7.556 7.185 0.619 30 HG12 ILE 5 2HG1 ILE 5 6.937 6.938 -2.307 31 HG13 ILE 5 1HG1 ILE 5 8.612 6.990 -1.770 32 HG21 ILE 5 1HG2 ILE 5 5.406 8.275 0.690 33 HG22 ILE 5 2HG2 ILE 5 5.296 8.247 -1.070 34 HG23 ILE 5 3HG2 ILE 5 5.257 6.737 -0.159 35 HD11 ILE 5 3HD1 ILE 5 6.631 4.854 -1.569 36 HD12 ILE 5 1HD1 ILE 5 8.392 4.778 -1.632 37 HD13 ILE 5 2HD1 ILE 5 7.577 5.119 -0.104 38 H GLY 6 H GLY 6 9.578 8.413 1.292 39 HA2 GLY 6 1HA GLY 6 11.854 9.030 -0.447 40 HA3 GLY 6 2HA GLY 6 11.927 8.726 1.284 41 HA PRO 7 HA PRO 7 13.306 4.757 -0.487 42 HB2 PRO 7 1HB PRO 7 15.028 4.542 1.827 43 HB3 PRO 7 2HB PRO 7 15.485 4.709 0.134 44 HG2 PRO 7 1HG PRO 7 15.900 6.649 2.019 45 HG3 PRO 7 2HG PRO 7 15.719 6.974 0.285 46 HD2 PRO 7 1HD PRO 7 13.714 7.256 2.491 47 HD3 PRO 7 2HD PRO 7 14.001 8.303 1.084 48 H ASN 8 H ASN 8 12.591 5.653 2.824 49 HA ASN 8 HA ASN 8 10.734 3.426 2.974 50 HB2 ASN 8 1HB ASN 8 12.899 2.711 4.096 51 HB3 ASN 8 2HB ASN 8 12.626 4.001 5.268 52 HD21 ASN 8 1HD2 ASN 8 12.445 0.840 5.006 53 HD22 ASN 8 2HD2 ASN 8 11.042 0.499 5.979 54 H THR 9 H THR 9 8.848 4.238 3.579 55 HA THR 9 HA THR 9 8.846 6.627 5.302 56 HB THR 9 HB THR 9 6.634 6.212 3.338 57 HG1 THR 9 1HG THR 9 9.175 6.346 2.604 58 HG21 THR 9 3HG2 THR 9 6.395 8.553 3.485 59 HG22 THR 9 1HG2 THR 9 8.021 8.761 4.132 60 HG23 THR 9 2HG2 THR 9 6.761 8.041 5.133 61 H CYS 10 H CYS 10 8.769 4.107 6.358 62 HA CYS 10 HA CYS 10 6.272 4.188 7.780 63 HB2 CYS 10 1HB CYS 10 5.712 2.817 5.759 64 HB3 CYS 10 2HB CYS 10 6.952 1.667 6.249 65 H SER 11 H SER 11 7.905 4.683 9.378 66 HA SER 11 HA SER 11 9.431 2.339 10.273 67 HB2 SER 11 1HB SER 11 10.456 4.407 11.710 68 HB3 SER 11 2HB SER 11 11.091 3.880 10.151 69 HG SER 11 HG SER 11 10.122 5.546 9.153 70 H ILE 12 H ILE 12 6.694 2.471 10.830 71 HA ILE 12 HA ILE 12 6.274 3.572 13.460 72 HB ILE 12 HB ILE 12 4.529 1.710 11.832 73 HG12 ILE 12 2HG1 ILE 12 4.882 3.864 10.717 74 HG13 ILE 12 1HG1 ILE 12 3.228 3.728 11.303 75 HG21 ILE 12 1HG2 ILE 12 3.615 3.444 14.103 76 HG22 ILE 12 2HG2 ILE 12 2.783 2.091 13.339 77 HG23 ILE 12 3HG2 ILE 12 4.188 1.797 14.365 78 HD11 ILE 12 3HD1 ILE 12 4.459 5.949 11.616 79 HD12 ILE 12 1HD1 ILE 12 3.578 5.288 12.994 80 HD13 ILE 12 2HD1 ILE 12 5.331 5.125 12.908 81 H ASP 13 H ASP 13 6.388 0.324 12.059 82 HA ASP 13 HA ASP 13 7.787 -0.835 14.226 83 HB2 ASP 13 1HB ASP 13 5.396 -0.489 15.170 84 HB3 ASP 13 2HB ASP 13 4.921 -1.779 14.073 85 H ASP 14 H ASP 14 5.756 -3.243 13.477 86 HA ASP 14 HA ASP 14 7.307 -4.043 11.142 87 HB2 ASP 14 1HB ASP 14 6.984 -5.657 13.020 88 HB3 ASP 14 2HB ASP 14 5.254 -5.641 12.686 89 H TYR 15 H TYR 15 6.137 -2.196 10.084 90 HA TYR 15 HA TYR 15 3.765 -3.269 8.727 91 HB2 TYR 15 1HB TYR 15 4.169 -0.407 9.646 92 HB3 TYR 15 2HB TYR 15 2.878 -0.936 8.575 93 HD1 TYR 15 2HD TYR 15 4.130 -0.948 12.015 94 HD2 TYR 15 1HD TYR 15 0.982 -2.193 9.434 95 HE1 TYR 15 2HE TYR 15 2.720 -1.430 13.972 96 HE2 TYR 15 1HE TYR 15 -0.431 -2.680 11.382 97 HH TYR 15 HH TYR 15 0.792 -2.832 14.551 98 H LYS 16 H LYS 16 3.557 -2.540 6.527 99 HA LYS 16 HA LYS 16 6.119 -1.593 5.421 100 HB2 LYS 16 1HB LYS 16 4.065 -3.524 4.395 101 HB3 LYS 16 2HB LYS 16 5.120 -2.681 3.271 102 HG2 LYS 16 1HG LYS 16 6.887 -3.638 5.134 103 HG3 LYS 16 2HG LYS 16 5.678 -4.919 5.045 104 HD2 LYS 16 1HD LYS 16 6.003 -4.417 2.426 105 HD3 LYS 16 2HD LYS 16 7.610 -3.984 3.016 106 HE2 LYS 16 2HE LYS 16 6.230 -6.583 3.652 107 HE3 LYS 16 1HE LYS 16 7.343 -6.373 2.301 108 HZ1 LYS 16 3HZ LYS 16 9.036 -6.678 3.669 109 HZ2 LYS 16 1HZ LYS 16 7.957 -6.959 4.951 110 HZ3 LYS 16 2HZ LYS 16 8.539 -5.393 4.654 111 HA PRO 17 HA PRO 17 3.888 1.904 3.924 112 HB2 PRO 17 1HB PRO 17 5.640 2.829 2.094 113 HB3 PRO 17 2HB PRO 17 5.951 2.925 3.830 114 HG2 PRO 17 1HG PRO 17 7.039 1.032 1.805 115 HG3 PRO 17 2HG PRO 17 7.835 1.756 3.213 116 HD2 PRO 17 1HD PRO 17 6.806 -0.820 3.119 117 HD3 PRO 17 2HD PRO 17 7.126 0.096 4.604 118 H TYR 18 H TYR 18 2.090 1.094 2.916 119 HA TYR 18 HA TYR 18 2.375 0.280 0.103 120 HB2 TYR 18 1HB TYR 18 0.366 -0.372 2.238 121 HB3 TYR 18 2HB TYR 18 -0.081 -0.499 0.540 122 HD1 TYR 18 2HD TYR 18 1.035 -2.144 -0.912 123 HD2 TYR 18 1HD TYR 18 1.828 -1.962 3.259 124 HE1 TYR 18 2HE TYR 18 2.050 -4.378 -1.017 125 HE2 TYR 18 1HE TYR 18 2.849 -4.193 3.172 126 HH TYR 18 HH TYR 18 2.388 -6.347 0.945 127 H CYS 19 H CYS 19 1.961 1.869 -1.285 128 HA CYS 19 HA CYS 19 0.246 4.080 -0.588 129 HB2 CYS 19 1HB CYS 19 1.350 3.356 -3.313 130 HB3 CYS 19 2HB CYS 19 0.748 4.928 -2.792 131 H CYS 20 H CYS 20 -1.729 3.216 -0.154 132 HA CYS 20 HA CYS 20 -2.843 1.273 -2.016 133 HB2 CYS 20 1HB CYS 20 -2.729 0.941 0.525 134 HB3 CYS 20 2HB CYS 20 -4.050 2.104 0.607 135 H GLN 21 H GLN 21 -4.257 1.817 -3.472 136 HA GLN 21 HA GLN 21 -5.572 4.390 -3.403 137 HB2 GLN 21 1HB GLN 21 -6.192 2.212 -5.376 138 HB3 GLN 21 2HB GLN 21 -6.251 3.954 -5.604 139 HG2 GLN 21 1HG GLN 21 -3.702 3.868 -5.284 140 HG3 GLN 21 2HG GLN 21 -3.877 2.137 -5.576 141 HE21 GLN 21 1HE2 GLN 21 -4.159 1.424 -7.619 142 HE22 GLN 21 2HE2 GLN 21 -4.251 2.448 -9.013 143 H SER 22 H SER 22 -7.050 4.394 -1.764 144 HA SER 22 HA SER 22 -8.963 2.280 -1.456 145 HB2 SER 22 1HB SER 22 -9.681 4.878 -0.302 146 HB3 SER 22 2HB SER 22 -9.463 3.318 0.490 147 HG SER 22 HG SER 22 -7.724 5.418 0.247 148 H MET 23 H MET 23 -10.341 1.956 -3.072 149 HA MET 23 HA MET 23 -11.098 4.117 -4.831 150 HB2 MET 23 1HB MET 23 -11.818 1.184 -4.844 151 HB3 MET 23 2HB MET 23 -12.286 2.329 -6.092 152 HG2 MET 23 1HG MET 23 -10.102 2.591 -6.848 153 HG3 MET 23 2HG MET 23 -9.411 1.929 -5.367 154 HE1 MET 23 3HE MET 23 -12.303 0.925 -7.532 155 HE2 MET 23 1HE MET 23 -11.225 0.684 -8.908 156 HE3 MET 23 2HE MET 23 -11.944 -0.707 -8.095 157 H SER 24 H SER 24 -12.068 4.142 -2.077 158 HA SER 24 HA SER 24 -13.980 4.386 -0.831 159 HB2 SER 24 1HB SER 24 -15.433 5.972 -2.700 160 HB3 SER 24 2HB SER 24 -14.444 6.509 -1.345 161 HG SER 24 HG SER 24 -13.648 6.058 -4.032 162 H GLY 25 H GLY 25 -14.756 2.159 -0.948 163 HA2 GLY 25 1HA GLY 25 -17.432 1.942 -1.514 164 HA3 GLY 25 2HA GLY 25 -16.627 1.428 -2.985 165 H SER 26 H SER 26 -16.381 -0.666 -3.156 166 HA SER 26 HA SER 26 -17.111 -2.323 -0.912 167 HB2 SER 26 1HB SER 26 -16.417 -3.772 -3.315 168 HB3 SER 26 2HB SER 26 -17.983 -3.617 -2.517 169 HG SER 26 HG SER 26 -18.201 -2.692 -4.520 170 H ALA 27 H ALA 27 -14.942 -1.616 0.099 171 HA ALA 27 HA ALA 27 -12.935 -2.257 0.962 172 HB1 ALA 27 1HB ALA 27 -12.831 -4.992 0.119 173 HB2 ALA 27 2HB ALA 27 -13.139 -4.331 1.725 174 HB3 ALA 27 3HB ALA 27 -14.476 -4.580 0.605 175 H SER 28 H SER 28 -13.065 -1.370 -1.857 176 HA SER 28 HA SER 28 -11.112 -2.887 -3.299 177 HB2 SER 28 1HB SER 28 -11.668 -0.178 -4.258 178 HB3 SER 28 2HB SER 28 -11.895 -1.729 -5.070 179 HG SER 28 HG SER 28 -13.844 -1.978 -3.947 180 H LEU 29 H LEU 29 -9.366 -2.834 -1.815 181 HA LEU 29 HA LEU 29 -7.971 -0.253 -1.653 182 HB2 LEU 29 1HB LEU 29 -7.802 -2.742 0.034 183 HB3 LEU 29 2HB LEU 29 -6.587 -1.481 0.104 184 HG LEU 29 HG LEU 29 -9.422 -1.422 1.057 185 HD11 LEU 29 1HD1 LEU 29 -8.479 -0.742 3.080 186 HD12 LEU 29 2HD1 LEU 29 -7.344 -1.945 2.467 187 HD13 LEU 29 3HD1 LEU 29 -6.977 -0.226 2.316 188 HD21 LEU 29 3HD2 LEU 29 -9.195 1.043 1.319 189 HD22 LEU 29 1HD2 LEU 29 -7.772 0.978 0.278 190 HD23 LEU 29 2HD2 LEU 29 -9.351 0.512 -0.356 191 H GLY 30 H GLY 30 -6.846 -0.176 -3.529 192 HA2 GLY 30 1HA GLY 30 -5.205 -2.490 -4.293 193 HA3 GLY 30 2HA GLY 30 -5.527 -1.075 -5.291 194 H CYS 31 H CYS 31 -3.599 -2.388 -2.706 195 HA CYS 31 HA CYS 31 -2.164 0.148 -2.423 196 HB2 CYS 31 1HB CYS 31 -1.431 -2.162 -0.723 197 HB3 CYS 31 2HB CYS 31 -1.646 -0.467 -0.297 198 H VAL 32 H VAL 32 -0.410 0.460 -3.573 199 HA VAL 32 HA VAL 32 1.134 -1.850 -4.505 200 HB VAL 32 HB VAL 32 1.882 0.943 -5.245 201 HG11 VAL 32 1HG1 VAL 32 3.306 -0.586 -6.210 202 HG12 VAL 32 2HG1 VAL 32 2.031 -1.776 -6.465 203 HG13 VAL 32 3HG1 VAL 32 2.119 -0.345 -7.492 204 HG21 VAL 32 3HG2 VAL 32 0.005 1.461 -6.310 205 HG22 VAL 32 1HG2 VAL 32 0.000 -0.089 -7.151 206 HG23 VAL 32 2HG2 VAL 32 -0.758 0.056 -5.565 207 H VAL 33 H VAL 33 3.232 -2.204 -3.906 208 HA VAL 33 HA VAL 33 4.083 -1.277 -1.393 209 HB VAL 33 HB VAL 33 6.406 -2.176 -2.580 210 HG11 VAL 33 1HG1 VAL 33 5.308 -2.807 -0.405 211 HG12 VAL 33 2HG1 VAL 33 4.361 -3.981 -1.320 212 HG13 VAL 33 3HG1 VAL 33 6.119 -4.116 -1.265 213 HG21 VAL 33 3HG2 VAL 33 6.046 -3.683 -4.219 214 HG22 VAL 33 1HG2 VAL 33 4.505 -4.212 -3.542 215 HG23 VAL 33 2HG2 VAL 33 4.588 -2.733 -4.500 216 H GLY 34 H GLY 34 5.040 0.542 -0.820 217 HA2 GLY 34 1HA GLY 34 5.959 2.440 -2.770 218 HA3 GLY 34 2HA GLY 34 6.040 2.614 -1.021 219 H VAL 35 H VAL 35 7.917 2.553 -3.632 220 HA VAL 35 HA VAL 35 10.005 0.833 -2.533 221 HB VAL 35 HB VAL 35 10.496 2.303 -5.064 222 HG11 VAL 35 1HG1 VAL 35 12.131 0.807 -5.077 223 HG12 VAL 35 2HG1 VAL 35 11.444 -0.023 -3.681 224 HG13 VAL 35 3HG1 VAL 35 10.924 -0.458 -5.310 225 HG21 VAL 35 3HG2 VAL 35 8.184 0.515 -4.674 226 HG22 VAL 35 1HG2 VAL 35 8.470 1.760 -5.891 227 HG23 VAL 35 2HG2 VAL 35 9.197 0.164 -6.076 228 H ILE 36 H ILE 36 11.192 3.334 -4.489 229 HA ILE 36 HA ILE 36 11.984 4.932 -2.162 230 HB ILE 36 HB ILE 36 13.890 3.946 -4.297 231 HG12 ILE 36 2HG1 ILE 36 13.926 3.380 -1.326 232 HG13 ILE 36 1HG1 ILE 36 13.207 2.294 -2.508 233 HG21 ILE 36 1HG2 ILE 36 14.730 6.028 -3.803 234 HG22 ILE 36 2HG2 ILE 36 14.134 5.999 -2.144 235 HG23 ILE 36 3HG2 ILE 36 15.546 5.041 -2.592 236 HD11 ILE 36 3HD1 ILE 36 15.709 2.054 -1.634 237 HD12 ILE 36 1HD1 ILE 36 15.206 1.564 -3.252 238 HD13 ILE 36 2HD1 ILE 36 15.992 3.124 -3.007 239 H GLY 37 H GLY 37 11.179 6.882 -2.555 240 HA2 GLY 37 1HA GLY 37 10.872 8.911 -3.612 241 HA3 GLY 37 2HA GLY 37 11.956 8.363 -4.883 242 H SER 38 H SER 38 9.073 6.664 -3.877 243 HA SER 38 HA SER 38 8.111 6.664 -6.583 244 HB2 SER 38 1HB SER 38 6.537 5.569 -4.286 245 HB3 SER 38 2HB SER 38 6.721 4.931 -5.921 246 HG SER 38 HG SER 38 8.967 4.503 -5.313 247 H GLN 39 H GLN 39 6.383 7.696 -7.405 248 HA GLN 39 HA GLN 39 5.144 9.806 -5.818 249 HB2 GLN 39 1HB GLN 39 5.790 9.418 -8.577 250 HB3 GLN 39 2HB GLN 39 4.055 9.655 -8.441 251 HG2 GLN 39 1HG GLN 39 4.496 11.733 -7.157 252 HG3 GLN 39 2HG GLN 39 6.216 11.510 -7.478 253 HE21 GLN 39 1HE2 GLN 39 5.599 13.751 -8.369 254 HE22 GLN 39 2HE2 GLN 39 5.224 13.794 -10.063 255 H CYS 40 H CYS 40 3.626 8.911 -4.514 256 HA CYS 40 HA CYS 40 1.859 6.868 -5.635 257 HB2 CYS 40 1HB CYS 40 2.217 7.788 -2.777 258 HB3 CYS 40 2HB CYS 40 1.208 6.441 -3.300 259 H GLY 41 H GLY 41 0.096 7.612 -6.592 260 HA2 GLY 41 1HA GLY 41 -1.104 10.132 -5.774 261 HA3 GLY 41 2HA GLY 41 -1.599 9.130 -7.133 262 H ALA 42 H ALA 42 -1.182 8.183 -3.775 263 HA ALA 42 HA ALA 42 -3.989 8.020 -3.226 264 HB1 ALA 42 1HB ALA 42 -4.132 6.040 -4.376 265 HB2 ALA 42 2HB ALA 42 -2.452 5.609 -4.060 266 HB3 ALA 42 3HB ALA 42 -3.659 5.443 -2.786 267 H SER 43 H SER 43 -4.255 6.740 -1.054 268 HA SER 43 HA SER 43 -2.578 8.058 0.813 269 HB2 SER 43 1HB SER 43 -4.079 5.969 2.058 270 HB3 SER 43 2HB SER 43 -4.379 7.707 2.093 271 HG SER 43 HG SER 43 -5.842 7.516 0.552 272 H VAL 44 H VAL 44 -0.525 7.438 1.078 273 HA VAL 44 HA VAL 44 0.283 4.685 0.982 274 HB VAL 44 HB VAL 44 1.946 6.220 0.285 275 HG11 VAL 44 1HG1 VAL 44 2.689 7.772 2.478 276 HG12 VAL 44 2HG1 VAL 44 1.890 8.316 1.003 277 HG13 VAL 44 3HG1 VAL 44 0.929 7.869 2.414 278 HG21 VAL 44 3HG2 VAL 44 3.710 5.986 2.202 279 HG22 VAL 44 1HG2 VAL 44 2.478 4.957 2.932 280 HG23 VAL 44 2HG2 VAL 44 3.129 4.561 1.341 281 H LYS 45 H LYS 45 -0.322 3.347 2.526 282 HA LYS 45 HA LYS 45 -0.527 4.367 5.284 283 HB2 LYS 45 1HB LYS 45 -1.958 1.927 4.258 284 HB3 LYS 45 2HB LYS 45 -2.324 2.896 5.680 285 HG2 LYS 45 1HG LYS 45 -3.500 4.429 4.499 286 HG3 LYS 45 2HG LYS 45 -2.498 4.252 3.057 287 HD2 LYS 45 1HD LYS 45 -3.635 2.335 2.354 288 HD3 LYS 45 2HD LYS 45 -4.325 2.046 3.952 289 HE2 LYS 45 2HE LYS 45 -5.270 4.550 3.290 290 HE3 LYS 45 1HE LYS 45 -5.312 3.681 1.757 291 HZ1 LYS 45 3HZ LYS 45 -6.814 2.162 2.560 292 HZ2 LYS 45 1HZ LYS 45 -7.321 3.564 3.361 293 HZ3 LYS 45 2HZ LYS 45 -6.393 2.404 4.185 294 H CYS 46 H CYS 46 -0.006 2.882 6.991 295 HA CYS 46 HA CYS 46 2.142 1.046 6.236 296 HB2 CYS 46 1HB CYS 46 1.357 2.437 8.778 297 HB3 CYS 46 2HB CYS 46 2.384 1.008 8.840 298 H CYS 47 H CYS 47 1.112 -0.783 5.555 299 HA CYS 47 HA CYS 47 -0.840 -1.987 7.397 300 HB2 CYS 47 1HB CYS 47 -0.424 -3.021 4.623 301 HB3 CYS 47 2HB CYS 47 -1.887 -2.999 5.599 302 H LYS 48 H LYS 48 -0.551 -4.028 8.202 303 HA LYS 48 HA LYS 48 2.048 -5.268 7.764 304 HB2 LYS 48 1HB LYS 48 0.718 -5.039 10.052 305 HB3 LYS 48 2HB LYS 48 -0.045 -6.521 9.491 306 HG2 LYS 48 1HG LYS 48 2.695 -6.901 9.101 307 HG3 LYS 48 2HG LYS 48 2.542 -6.134 10.681 308 HD2 LYS 48 1HD LYS 48 0.543 -7.983 10.770 309 HD3 LYS 48 2HD LYS 48 1.758 -8.817 9.798 310 HE2 LYS 48 2HE LYS 48 2.681 -7.427 12.249 311 HE3 LYS 48 1HE LYS 48 1.741 -8.903 12.460 312 HZ1 LYS 48 3HZ LYS 48 4.393 -8.543 11.246 313 HZ2 LYS 48 1HZ LYS 48 3.405 -9.812 10.696 314 HZ3 LYS 48 2HZ LYS 48 3.852 -9.731 12.328 315 H ASP 49 H ASP 49 1.719 -5.828 5.600 316 HA ASP 49 HA ASP 49 -0.532 -7.244 4.656 317 HB2 ASP 49 1HB ASP 49 1.022 -5.859 3.264 318 HB3 ASP 49 2HB ASP 49 2.223 -7.135 3.418 319 H ASP 50 H ASP 50 -0.651 -9.363 3.902 320 HA ASP 50 HA ASP 50 0.936 -11.265 5.486 321 HB2 ASP 50 1HB ASP 50 -1.647 -11.157 5.586 322 HB3 ASP 50 2HB ASP 50 -1.601 -11.910 3.996 323 H VAL 51 H VAL 51 0.465 -10.008 2.408 324 HA VAL 51 HA VAL 51 1.172 -10.509 0.322 325 HB VAL 51 HB VAL 51 3.251 -12.389 1.383 326 HG11 VAL 51 1HG1 VAL 51 2.765 -10.956 -1.033 327 HG12 VAL 51 2HG1 VAL 51 4.269 -10.370 -0.323 328 HG13 VAL 51 3HG1 VAL 51 4.064 -12.090 -0.662 329 HG21 VAL 51 3HG2 VAL 51 4.418 -9.883 1.550 330 HG22 VAL 51 1HG2 VAL 51 2.843 -9.669 2.312 331 HG23 VAL 51 2HG2 VAL 51 3.946 -10.911 2.903 332 H THR 52 H THR 52 -0.859 -12.215 1.531 333 HA THR 52 HA THR 52 -0.428 -14.810 0.304 334 HB THR 52 HB THR 52 -3.131 -14.554 1.046 335 HG1 THR 52 1HG THR 52 -1.866 -13.905 3.394 336 HG21 THR 52 3HG2 THR 52 -0.765 -16.075 1.780 337 HG22 THR 52 1HG2 THR 52 -2.450 -16.588 1.687 338 HG23 THR 52 2HG2 THR 52 -1.843 -15.816 3.152 339 H ASN 53 H ASN 53 -1.266 -11.811 -0.716 340 HA ASN 53 HA ASN 53 -2.868 -12.826 -2.958 341 HB2 ASN 53 1HB ASN 53 -3.165 -10.523 -1.420 342 HB3 ASN 53 2HB ASN 53 -2.399 -9.941 -2.895 343 HD21 ASN 53 1HD2 ASN 53 -5.207 -9.876 -1.640 344 HD22 ASN 53 2HD2 ASN 53 -6.245 -10.282 -2.970 345 H THR 54 H THR 54 -1.635 -13.450 -4.609 346 HA THR 54 HA THR 54 1.107 -12.618 -4.785 347 HB THR 54 HB THR 54 0.020 -14.161 -7.037 348 HG1 THR 54 1HG THR 54 -0.148 -15.130 -4.346 349 HG21 THR 54 3HG2 THR 54 1.925 -15.615 -5.569 350 HG22 THR 54 1HG2 THR 54 2.428 -13.929 -5.475 351 HG23 THR 54 2HG2 THR 54 2.190 -14.690 -7.048 352 H GLY 55 H GLY 55 0.377 -10.319 -5.102 353 HA2 GLY 55 1HA GLY 55 -0.285 -9.744 -7.908 354 HA3 GLY 55 2HA GLY 55 -0.458 -8.623 -6.563 355 H ASN 56 H ASN 56 1.062 -8.633 -9.215 356 HA ASN 56 HA ASN 56 3.762 -8.146 -8.173 357 HB2 ASN 56 1HB ASN 56 3.310 -9.630 -10.237 358 HB3 ASN 56 2HB ASN 56 2.996 -8.120 -11.085 359 HD21 ASN 56 1HD2 ASN 56 5.360 -10.274 -9.947 360 HD22 ASN 56 2HD2 ASN 56 6.751 -9.340 -10.379 361 H SER 57 H SER 57 1.282 -6.652 -10.237 362 HA SER 57 HA SER 57 2.584 -4.049 -9.830 363 HB2 SER 57 1HB SER 57 0.429 -3.906 -11.702 364 HB3 SER 57 2HB SER 57 2.155 -3.698 -11.998 365 HG SER 57 HG SER 57 2.348 -5.791 -12.550 366 H PHE 58 H PHE 58 0.193 -5.875 -8.529 367 HA PHE 58 HA PHE 58 -1.070 -3.602 -7.276 368 HB2 PHE 58 1HB PHE 58 -2.264 -4.527 -9.572 369 HB3 PHE 58 2HB PHE 58 -3.095 -5.455 -8.328 370 HD1 PHE 58 1HD PHE 58 -1.835 -1.951 -8.389 371 HD2 PHE 58 2HD PHE 58 -5.180 -4.555 -8.022 372 HE1 PHE 58 1HE PHE 58 -3.282 -0.021 -7.922 373 HE2 PHE 58 2HE PHE 58 -6.637 -2.630 -7.563 374 HZ PHE 58 HZ PHE 58 -5.687 -0.355 -7.513 375 H LEU 59 H LEU 59 -1.435 -4.102 -5.215 376 HA LEU 59 HA LEU 59 -1.911 -6.921 -4.513 377 HB2 LEU 59 1HB LEU 59 -0.243 -4.846 -3.110 378 HB3 LEU 59 2HB LEU 59 -0.868 -6.247 -2.262 379 HG LEU 59 HG LEU 59 0.448 -7.128 -4.644 380 HD11 LEU 59 1HD1 LEU 59 2.549 -5.965 -2.991 381 HD12 LEU 59 2HD1 LEU 59 2.390 -6.029 -4.746 382 HD13 LEU 59 3HD1 LEU 59 1.571 -4.763 -3.832 383 HD21 LEU 59 3HD2 LEU 59 0.011 -8.147 -2.251 384 HD22 LEU 59 1HD2 LEU 59 1.392 -8.650 -3.227 385 HD23 LEU 59 2HD2 LEU 59 1.609 -7.474 -1.930 386 H ILE 60 H ILE 60 -3.741 -7.279 -3.391 387 HA ILE 60 HA ILE 60 -5.243 -4.920 -2.517 388 HB ILE 60 HB ILE 60 -6.295 -7.710 -2.997 389 HG12 ILE 60 2HG1 ILE 60 -6.531 -5.236 -4.729 390 HG13 ILE 60 1HG1 ILE 60 -5.464 -6.597 -5.062 391 HG21 ILE 60 1HG2 ILE 60 -7.600 -5.102 -2.286 392 HG22 ILE 60 2HG2 ILE 60 -8.498 -6.416 -3.045 393 HG23 ILE 60 3HG2 ILE 60 -7.738 -6.660 -1.472 394 HD11 ILE 60 3HD1 ILE 60 -7.159 -7.920 -5.778 395 HD12 ILE 60 1HD1 ILE 60 -8.345 -7.176 -4.709 396 HD13 ILE 60 2HD1 ILE 60 -7.846 -6.346 -6.184 397 H ILE 61 H ILE 61 -4.961 -4.469 -0.481 398 HA ILE 61 HA ILE 61 -4.571 -6.644 1.454 399 HB ILE 61 HB ILE 61 -3.699 -3.750 1.498 400 HG12 ILE 61 2HG1 ILE 61 -1.509 -5.210 2.077 401 HG13 ILE 61 1HG1 ILE 61 -2.392 -6.381 1.104 402 HG21 ILE 61 1HG2 ILE 61 -3.951 -5.697 3.736 403 HG22 ILE 61 2HG2 ILE 61 -2.577 -4.591 3.723 404 HG23 ILE 61 3HG2 ILE 61 -4.222 -3.954 3.720 405 HD11 ILE 61 3HD1 ILE 61 -1.440 -5.399 -0.647 406 HD12 ILE 61 1HD1 ILE 61 -2.580 -4.078 -0.379 407 HD13 ILE 61 2HD1 ILE 61 -0.952 -3.993 0.300 408 H ASN 62 H ASN 62 -5.806 -6.694 3.342 409 HA ASN 62 HA ASN 62 -8.392 -5.419 3.053 410 HB2 ASN 62 1HB ASN 62 -7.686 -7.900 3.883 411 HB3 ASN 62 2HB ASN 62 -7.875 -7.090 5.437 412 HD21 ASN 62 1HD2 ASN 62 -9.465 -9.081 3.628 413 HD22 ASN 62 2HD2 ASN 62 -11.085 -8.493 3.789 414 H ALA 63 H ALA 63 -9.486 -4.554 5.020 415 HA ALA 63 HA ALA 63 -7.812 -2.438 6.069 416 HB1 ALA 63 1HB ALA 63 -9.774 -1.492 5.416 417 HB2 ALA 63 2HB ALA 63 -10.725 -2.921 5.820 418 HB3 ALA 63 3HB ALA 63 -10.180 -1.835 7.098 419 H ALA 64 H ALA 64 -7.918 -5.388 7.079 420 HA ALA 64 HA ALA 64 -8.307 -4.767 9.920 421 HB1 ALA 64 1HB ALA 64 -7.851 -7.477 8.678 422 HB2 ALA 64 2HB ALA 64 -8.359 -7.129 10.331 423 HB3 ALA 64 3HB ALA 64 -9.442 -6.778 8.984 424 H ASN 65 H ASN 65 -5.954 -6.174 7.661 425 HA ASN 65 HA ASN 65 -3.892 -6.114 9.696 426 HB2 ASN 65 1HB ASN 65 -2.418 -7.021 7.889 427 HB3 ASN 65 2HB ASN 65 -3.830 -8.011 8.233 428 HD21 ASN 65 1HD2 ASN 65 -2.012 -7.477 5.842 429 HD22 ASN 65 2HD2 ASN 65 -3.127 -7.266 4.533 430 H CYS 66 H CYS 66 -5.037 -4.111 7.132 431 HA CYS 66 HA CYS 66 -2.737 -2.330 7.465 432 HB2 CYS 66 1HB CYS 66 -3.732 -2.753 5.170 433 HB3 CYS 66 2HB CYS 66 -5.161 -1.878 5.709 434 H VAL 67 H VAL 67 -2.878 -0.414 8.586 435 HA VAL 67 HA VAL 67 -5.293 -0.202 10.247 436 HB VAL 67 HB VAL 67 -3.756 1.112 11.803 437 HG11 VAL 67 1HG1 VAL 67 -2.954 -0.872 12.867 438 HG12 VAL 67 2HG1 VAL 67 -4.514 -1.242 12.129 439 HG13 VAL 67 3HG1 VAL 67 -3.023 -1.775 11.353 440 HG21 VAL 67 3HG2 VAL 67 -1.889 1.683 10.560 441 HG22 VAL 67 1HG2 VAL 67 -1.314 0.305 11.500 442 HG23 VAL 67 2HG2 VAL 67 -1.775 0.091 9.811 443 H ALA 68 H ALA 68 -5.336 0.998 7.693 444 HA ALA 68 HA ALA 68 -6.031 3.668 8.468 445 HB1 ALA 68 1HB ALA 68 -3.998 4.531 8.017 446 HB2 ALA 68 2HB ALA 68 -3.521 3.162 7.013 447 HB3 ALA 68 3HB ALA 68 -4.549 4.432 6.344 Start of MODEL 11 1 H1 SER 1 1H SER 1 -2.871 14.120 -2.943 2 H2 SER 1 2H SER 1 -4.311 14.052 -3.836 3 H3 SER 1 3H SER 1 -3.451 15.508 -3.728 4 HA SER 1 HA SER 1 -3.231 13.524 -5.646 5 HB2 SER 1 1HB SER 1 -1.172 15.306 -6.080 6 HB3 SER 1 2HB SER 1 -2.848 15.554 -6.574 7 HG SER 1 HG SER 1 -2.151 17.330 -5.371 8 H ALA 2 H ALA 2 -0.155 14.840 -5.032 9 HA ALA 2 HA ALA 2 0.892 12.160 -4.532 10 HB1 ALA 2 1HB ALA 2 1.900 14.567 -5.880 11 HB2 ALA 2 2HB ALA 2 3.095 13.676 -4.939 12 HB3 ALA 2 3HB ALA 2 2.198 12.863 -6.220 13 H THR 3 H THR 3 1.075 11.666 -2.462 14 HA THR 3 HA THR 3 1.576 13.626 -0.413 15 HB THR 3 HB THR 3 1.964 11.087 0.681 16 HG1 THR 3 1HG THR 3 -0.365 10.589 -0.621 17 HG21 THR 3 3HG2 THR 3 -0.682 11.513 1.082 18 HG22 THR 3 1HG2 THR 3 -0.162 13.129 0.607 19 HG23 THR 3 2HG2 THR 3 0.595 12.330 1.985 20 H THR 4 H THR 4 3.422 11.594 -2.447 21 HA THR 4 HA THR 4 5.651 11.300 -2.763 22 HB THR 4 HB THR 4 6.140 13.201 -0.466 23 HG1 THR 4 1HG THR 4 4.918 14.313 -1.972 24 HG21 THR 4 3HG2 THR 4 8.229 13.641 -1.889 25 HG22 THR 4 1HG2 THR 4 7.825 12.140 -2.725 26 HG23 THR 4 2HG2 THR 4 8.169 12.121 -0.996 27 H ILE 5 H ILE 5 6.661 9.482 -2.254 28 HA ILE 5 HA ILE 5 6.550 8.576 0.530 29 HB ILE 5 HB ILE 5 5.398 7.026 -0.878 30 HG12 ILE 5 2HG1 ILE 5 7.732 5.337 -0.742 31 HG13 ILE 5 1HG1 ILE 5 7.588 6.330 0.708 32 HG21 ILE 5 1HG2 ILE 5 7.023 7.800 -2.896 33 HG22 ILE 5 2HG2 ILE 5 7.669 6.200 -2.532 34 HG23 ILE 5 3HG2 ILE 5 5.965 6.390 -2.947 35 HD11 ILE 5 3HD1 ILE 5 5.902 5.109 1.470 36 HD12 ILE 5 1HD1 ILE 5 5.054 5.176 -0.075 37 HD13 ILE 5 2HD1 ILE 5 6.292 3.950 0.198 38 H GLY 6 H GLY 6 8.348 9.342 1.425 39 HA2 GLY 6 1HA GLY 6 10.922 8.900 0.096 40 HA3 GLY 6 2HA GLY 6 10.645 9.900 1.517 41 HA PRO 7 HA PRO 7 12.375 5.928 3.001 42 HB2 PRO 7 1HB PRO 7 14.265 6.917 4.611 43 HB3 PRO 7 2HB PRO 7 14.476 6.873 2.858 44 HG2 PRO 7 1HG PRO 7 13.720 9.169 4.617 45 HG3 PRO 7 2HG PRO 7 14.817 9.138 3.224 46 HD2 PRO 7 1HD PRO 7 12.188 9.995 3.145 47 HD3 PRO 7 2HD PRO 7 13.111 9.429 1.739 48 H ASN 8 H ASN 8 10.334 8.099 4.317 49 HA ASN 8 HA ASN 8 10.017 6.527 6.726 50 HB2 ASN 8 1HB ASN 8 11.666 8.574 7.076 51 HB3 ASN 8 2HB ASN 8 10.154 9.464 7.232 52 HD21 ASN 8 1HD2 ASN 8 12.112 6.891 8.566 53 HD22 ASN 8 2HD2 ASN 8 11.350 6.858 10.117 54 H THR 9 H THR 9 8.372 6.941 4.401 55 HA THR 9 HA THR 9 6.141 8.544 5.301 56 HB THR 9 HB THR 9 5.696 6.491 3.221 57 HG1 THR 9 1HG THR 9 7.474 8.692 2.835 58 HG21 THR 9 3HG2 THR 9 3.973 8.071 3.453 59 HG22 THR 9 1HG2 THR 9 4.875 8.633 2.047 60 HG23 THR 9 2HG2 THR 9 5.104 9.413 3.612 61 H CYS 10 H CYS 10 6.434 5.088 4.509 62 HA CYS 10 HA CYS 10 4.838 4.482 6.896 63 HB2 CYS 10 1HB CYS 10 4.268 3.811 4.088 64 HB3 CYS 10 2HB CYS 10 4.185 2.435 5.187 65 H SER 11 H SER 11 7.359 4.453 7.283 66 HA SER 11 HA SER 11 8.225 1.658 6.989 67 HB2 SER 11 1HB SER 11 10.281 3.754 7.439 68 HB3 SER 11 2HB SER 11 10.342 2.311 6.425 69 HG SER 11 HG SER 11 9.384 3.373 4.809 70 H ILE 12 H ILE 12 6.656 2.052 9.037 71 HA ILE 12 HA ILE 12 7.927 3.062 11.389 72 HB ILE 12 HB ILE 12 5.545 1.207 11.248 73 HG12 ILE 12 2HG1 ILE 12 5.159 3.189 9.854 74 HG13 ILE 12 1HG1 ILE 12 4.154 3.232 11.297 75 HG21 ILE 12 1HG2 ILE 12 6.490 1.370 13.463 76 HG22 ILE 12 2HG2 ILE 12 6.488 3.130 13.367 77 HG23 ILE 12 3HG2 ILE 12 4.961 2.246 13.409 78 HD11 ILE 12 3HD1 ILE 12 6.777 4.647 11.308 79 HD12 ILE 12 1HD1 ILE 12 5.396 5.367 10.481 80 HD13 ILE 12 2HD1 ILE 12 5.296 5.002 12.202 81 H ASP 13 H ASP 13 6.884 -0.242 10.566 82 HA ASP 13 HA ASP 13 9.331 -1.320 11.700 83 HB2 ASP 13 1HB ASP 13 7.570 -1.121 13.548 84 HB3 ASP 13 2HB ASP 13 6.674 -2.365 12.678 85 H ASP 14 H ASP 14 6.785 -3.558 11.604 86 HA ASP 14 HA ASP 14 7.732 -4.680 9.105 87 HB2 ASP 14 1HB ASP 14 6.949 -5.972 11.240 88 HB3 ASP 14 2HB ASP 14 5.334 -5.715 10.586 89 H TYR 15 H TYR 15 5.740 -2.242 9.827 90 HA TYR 15 HA TYR 15 3.679 -2.698 7.878 91 HB2 TYR 15 1HB TYR 15 4.550 -0.083 9.138 92 HB3 TYR 15 2HB TYR 15 3.039 -0.387 8.285 93 HD1 TYR 15 1HD TYR 15 1.502 -2.222 9.305 94 HD2 TYR 15 2HD TYR 15 4.635 -0.298 11.441 95 HE1 TYR 15 1HE TYR 15 0.437 -2.864 11.423 96 HE2 TYR 15 2HE TYR 15 3.581 -0.930 13.569 97 HH TYR 15 HH TYR 15 0.922 -3.148 13.723 98 H LYS 16 H LYS 16 4.093 -2.706 5.808 99 HA LYS 16 HA LYS 16 6.582 -1.635 4.805 100 HB2 LYS 16 1HB LYS 16 4.476 -2.862 3.062 101 HB3 LYS 16 2HB LYS 16 6.224 -2.951 2.920 102 HG2 LYS 16 1HG LYS 16 5.196 -4.180 5.358 103 HG3 LYS 16 2HG LYS 16 4.600 -4.926 3.873 104 HD2 LYS 16 1HD LYS 16 6.518 -6.059 3.812 105 HD3 LYS 16 2HD LYS 16 7.302 -4.533 3.396 106 HE2 LYS 16 2HE LYS 16 8.407 -4.543 5.321 107 HE3 LYS 16 1HE LYS 16 6.892 -4.623 6.214 108 HZ1 LYS 16 3HZ LYS 16 7.337 -7.169 5.229 109 HZ2 LYS 16 1HZ LYS 16 7.475 -6.653 6.843 110 HZ3 LYS 16 2HZ LYS 16 8.832 -6.644 5.822 111 HA PRO 17 HA PRO 17 4.833 1.996 2.998 112 HB2 PRO 17 1HB PRO 17 6.578 1.963 0.718 113 HB3 PRO 17 2HB PRO 17 6.736 2.917 2.192 114 HG2 PRO 17 1HG PRO 17 8.436 0.880 1.443 115 HG3 PRO 17 2HG PRO 17 8.238 1.481 3.100 116 HD2 PRO 17 1HD PRO 17 7.100 -0.962 1.813 117 HD3 PRO 17 2HD PRO 17 7.648 -0.714 3.485 118 H TYR 18 H TYR 18 2.827 1.619 2.234 119 HA TYR 18 HA TYR 18 2.592 0.239 -0.352 120 HB2 TYR 18 1HB TYR 18 0.768 0.318 2.041 121 HB3 TYR 18 2HB TYR 18 0.214 -0.212 0.458 122 HD1 TYR 18 2HD TYR 18 2.731 -1.655 -0.400 123 HD2 TYR 18 1HD TYR 18 0.547 -1.683 3.249 124 HE1 TYR 18 2HE TYR 18 3.547 -3.926 0.062 125 HE2 TYR 18 1HE TYR 18 1.361 -3.950 3.724 126 HH TYR 18 HH TYR 18 2.600 -5.646 3.030 127 H CYS 19 H CYS 19 1.962 1.445 -1.992 128 HA CYS 19 HA CYS 19 0.436 3.889 -1.493 129 HB2 CYS 19 1HB CYS 19 1.884 2.788 -3.892 130 HB3 CYS 19 2HB CYS 19 0.682 4.059 -4.082 131 H CYS 20 H CYS 20 -1.641 3.407 -1.121 132 HA CYS 20 HA CYS 20 -2.796 1.080 -2.434 133 HB2 CYS 20 1HB CYS 20 -3.148 2.376 0.108 134 HB3 CYS 20 2HB CYS 20 -4.699 2.241 -0.717 135 H GLN 21 H GLN 21 -4.210 1.148 -3.992 136 HA GLN 21 HA GLN 21 -5.350 3.678 -4.846 137 HB2 GLN 21 1HB GLN 21 -6.017 0.968 -5.988 138 HB3 GLN 21 2HB GLN 21 -6.094 2.535 -6.782 139 HG2 GLN 21 1HG GLN 21 -3.540 1.192 -5.928 140 HG3 GLN 21 2HG GLN 21 -4.233 1.082 -7.545 141 HE21 GLN 21 1HE2 GLN 21 -1.805 1.985 -7.540 142 HE22 GLN 21 2HE2 GLN 21 -1.723 3.701 -7.753 143 H SER 22 H SER 22 -6.546 4.080 -2.942 144 HA SER 22 HA SER 22 -8.438 2.164 -1.962 145 HB2 SER 22 1HB SER 22 -8.526 5.034 -1.141 146 HB3 SER 22 2HB SER 22 -8.675 3.578 -0.154 147 HG SER 22 HG SER 22 -6.454 5.036 -0.785 148 H MET 23 H MET 23 -10.370 1.835 -2.726 149 HA MET 23 HA MET 23 -11.474 3.688 -4.687 150 HB2 MET 23 1HB MET 23 -12.453 0.947 -3.879 151 HB3 MET 23 2HB MET 23 -12.976 1.875 -5.276 152 HG2 MET 23 1HG MET 23 -11.157 1.338 -6.487 153 HG3 MET 23 2HG MET 23 -10.092 1.313 -5.082 154 HE1 MET 23 3HE MET 23 -9.743 -1.940 -6.965 155 HE2 MET 23 1HE MET 23 -9.108 -0.342 -6.563 156 HE3 MET 23 2HE MET 23 -8.939 -1.672 -5.417 157 H SER 24 H SER 24 -14.052 3.558 -4.632 158 HA SER 24 HA SER 24 -14.772 4.783 -2.096 159 HB2 SER 24 1HB SER 24 -16.991 4.844 -3.791 160 HB3 SER 24 2HB SER 24 -15.819 6.144 -3.553 161 HG SER 24 HG SER 24 -14.940 5.712 -5.436 162 H GLY 25 H GLY 25 -14.418 1.828 -2.403 163 HA2 GLY 25 1HA GLY 25 -15.586 0.360 -0.854 164 HA3 GLY 25 2HA GLY 25 -17.094 1.054 -1.431 165 H SER 26 H SER 26 -15.312 0.768 -4.124 166 HA SER 26 HA SER 26 -16.807 -1.267 -5.274 167 HB2 SER 26 1HB SER 26 -14.156 -0.973 -6.456 168 HB3 SER 26 2HB SER 26 -15.740 -0.589 -7.134 169 HG SER 26 HG SER 26 -14.958 1.381 -6.911 170 H ALA 27 H ALA 27 -13.357 -1.457 -4.375 171 HA ALA 27 HA ALA 27 -13.794 -4.194 -3.450 172 HB1 ALA 27 1HB ALA 27 -12.326 -5.200 -4.859 173 HB2 ALA 27 2HB ALA 27 -12.783 -3.868 -5.920 174 HB3 ALA 27 3HB ALA 27 -11.296 -3.774 -4.977 175 H SER 28 H SER 28 -13.590 -1.940 -1.931 176 HA SER 28 HA SER 28 -12.527 -0.961 -0.199 177 HB2 SER 28 1HB SER 28 -10.759 -3.417 -0.221 178 HB3 SER 28 2HB SER 28 -11.070 -2.345 1.145 179 HG SER 28 HG SER 28 -12.746 -4.264 -0.054 180 H LEU 29 H LEU 29 -9.433 -2.412 -0.793 181 HA LEU 29 HA LEU 29 -8.513 -0.158 -2.368 182 HB2 LEU 29 1HB LEU 29 -6.563 -0.179 -0.441 183 HB3 LEU 29 2HB LEU 29 -7.830 1.021 -0.601 184 HG LEU 29 HG LEU 29 -8.957 -1.065 0.904 185 HD11 LEU 29 1HD1 LEU 29 -7.371 -1.995 2.142 186 HD12 LEU 29 2HD1 LEU 29 -6.156 -1.151 1.182 187 HD13 LEU 29 3HD1 LEU 29 -6.794 -0.406 2.648 188 HD21 LEU 29 3HD2 LEU 29 -8.516 0.773 2.749 189 HD22 LEU 29 1HD2 LEU 29 -8.068 1.737 1.340 190 HD23 LEU 29 2HD2 LEU 29 -9.682 1.030 1.451 191 H GLY 30 H GLY 30 -6.994 -0.760 -3.738 192 HA2 GLY 30 1HA GLY 30 -5.623 -3.328 -3.284 193 HA3 GLY 30 2HA GLY 30 -5.838 -2.551 -4.850 194 H CYS 31 H CYS 31 -3.564 -3.242 -2.619 195 HA CYS 31 HA CYS 31 -2.251 -0.625 -2.732 196 HB2 CYS 31 1HB CYS 31 -2.493 -2.677 -0.734 197 HB3 CYS 31 2HB CYS 31 -0.794 -2.358 -1.062 198 H VAL 32 H VAL 32 -0.305 -0.300 -3.614 199 HA VAL 32 HA VAL 32 1.133 -2.627 -4.719 200 HB VAL 32 HB VAL 32 1.692 0.139 -5.706 201 HG11 VAL 32 1HG1 VAL 32 1.808 -1.400 -7.866 202 HG12 VAL 32 2HG1 VAL 32 3.140 -1.296 -6.715 203 HG13 VAL 32 3HG1 VAL 32 2.022 -2.657 -6.645 204 HG21 VAL 32 3HG2 VAL 32 -0.898 -1.078 -5.906 205 HG22 VAL 32 1HG2 VAL 32 -0.350 0.485 -6.511 206 HG23 VAL 32 2HG2 VAL 32 -0.164 -0.958 -7.505 207 H VAL 33 H VAL 33 3.447 -2.552 -4.529 208 HA VAL 33 HA VAL 33 4.329 -1.526 -2.030 209 HB VAL 33 HB VAL 33 6.132 -2.523 -4.238 210 HG11 VAL 33 1HG1 VAL 33 7.553 -1.780 -2.603 211 HG12 VAL 33 2HG1 VAL 33 6.387 -2.062 -1.311 212 HG13 VAL 33 3HG1 VAL 33 7.259 -3.419 -2.020 213 HG21 VAL 33 3HG2 VAL 33 5.168 -4.364 -2.126 214 HG22 VAL 33 1HG2 VAL 33 4.056 -3.983 -3.441 215 HG23 VAL 33 2HG2 VAL 33 5.631 -4.697 -3.795 216 H GLY 34 H GLY 34 4.675 0.549 -1.673 217 HA2 GLY 34 1HA GLY 34 5.233 2.389 -3.813 218 HA3 GLY 34 2HA GLY 34 5.068 2.783 -2.109 219 H VAL 35 H VAL 35 7.207 2.195 -4.678 220 HA VAL 35 HA VAL 35 9.539 1.593 -3.181 221 HB VAL 35 HB VAL 35 10.258 2.968 -5.575 222 HG11 VAL 35 1HG1 VAL 35 11.280 0.970 -4.285 223 HG12 VAL 35 2HG1 VAL 35 10.204 -0.006 -5.283 224 HG13 VAL 35 3HG1 VAL 35 11.418 1.022 -6.042 225 HG21 VAL 35 3HG2 VAL 35 8.414 2.687 -6.831 226 HG22 VAL 35 1HG2 VAL 35 8.959 1.014 -6.944 227 HG23 VAL 35 2HG2 VAL 35 7.742 1.465 -5.750 228 H ILE 36 H ILE 36 10.763 2.854 -1.996 229 HA ILE 36 HA ILE 36 10.158 5.484 -1.346 230 HB ILE 36 HB ILE 36 12.745 3.955 -1.054 231 HG12 ILE 36 2HG1 ILE 36 11.010 4.706 1.241 232 HG13 ILE 36 1HG1 ILE 36 10.414 3.444 0.167 233 HG21 ILE 36 1HG2 ILE 36 13.778 5.727 -0.186 234 HG22 ILE 36 2HG2 ILE 36 12.480 6.705 -0.874 235 HG23 ILE 36 3HG2 ILE 36 12.377 6.154 0.798 236 HD11 ILE 36 3HD1 ILE 36 12.659 2.315 0.510 237 HD12 ILE 36 1HD1 ILE 36 12.898 3.455 1.835 238 HD13 ILE 36 2HD1 ILE 36 11.543 2.327 1.876 239 H GLY 37 H GLY 37 10.425 7.331 -2.403 240 HA2 GLY 37 1HA GLY 37 11.886 8.944 -3.398 241 HA3 GLY 37 2HA GLY 37 12.767 7.627 -4.157 242 H SER 38 H SER 38 9.728 6.677 -4.640 243 HA SER 38 HA SER 38 9.749 7.851 -7.320 244 HB2 SER 38 1HB SER 38 7.791 5.732 -6.599 245 HB3 SER 38 2HB SER 38 8.744 5.937 -8.070 246 HG SER 38 HG SER 38 9.480 4.782 -5.608 247 H GLN 39 H GLN 39 8.379 8.566 -4.459 248 HA GLN 39 HA GLN 39 6.686 9.914 -3.781 249 HB2 GLN 39 1HB GLN 39 6.898 10.536 -6.648 250 HB3 GLN 39 2HB GLN 39 5.335 10.901 -5.934 251 HG2 GLN 39 1HG GLN 39 6.229 12.830 -5.328 252 HG3 GLN 39 2HG GLN 39 7.096 11.916 -4.096 253 HE21 GLN 39 1HE2 GLN 39 7.299 13.091 -7.407 254 HE22 GLN 39 2HE2 GLN 39 9.026 13.226 -7.444 255 H CYS 40 H CYS 40 4.496 9.756 -3.277 256 HA CYS 40 HA CYS 40 3.120 7.481 -4.525 257 HB2 CYS 40 1HB CYS 40 3.672 7.528 -1.983 258 HB3 CYS 40 2HB CYS 40 2.337 8.668 -1.877 259 H GLY 41 H GLY 41 1.481 7.954 -5.814 260 HA2 GLY 41 1HA GLY 41 0.358 10.671 -5.692 261 HA3 GLY 41 2HA GLY 41 0.278 9.586 -7.072 262 H ALA 42 H ALA 42 -0.372 8.234 -4.006 263 HA ALA 42 HA ALA 42 -3.254 8.581 -4.271 264 HB1 ALA 42 1HB ALA 42 -3.198 5.954 -3.658 265 HB2 ALA 42 2HB ALA 42 -3.354 6.575 -5.300 266 HB3 ALA 42 3HB ALA 42 -1.779 6.065 -4.699 267 H SER 43 H SER 43 -3.707 6.452 -2.277 268 HA SER 43 HA SER 43 -2.990 8.006 0.073 269 HB2 SER 43 1HB SER 43 -4.518 5.527 0.468 270 HB3 SER 43 2HB SER 43 -4.879 7.172 0.994 271 HG SER 43 HG SER 43 -5.665 7.627 -1.076 272 H VAL 44 H VAL 44 -1.204 7.552 1.175 273 HA VAL 44 HA VAL 44 0.173 5.037 0.860 274 HB VAL 44 HB VAL 44 0.927 6.924 3.046 275 HG11 VAL 44 1HG1 VAL 44 2.090 4.743 1.655 276 HG12 VAL 44 2HG1 VAL 44 3.056 6.178 1.312 277 HG13 VAL 44 3HG1 VAL 44 2.770 5.684 2.982 278 HG21 VAL 44 3HG2 VAL 44 2.097 8.393 1.489 279 HG22 VAL 44 1HG2 VAL 44 1.413 7.505 0.128 280 HG23 VAL 44 2HG2 VAL 44 0.356 8.423 1.203 281 H LYS 45 H LYS 45 -0.584 3.285 1.857 282 HA LYS 45 HA LYS 45 -1.939 3.619 4.442 283 HB2 LYS 45 1HB LYS 45 -2.127 1.524 2.293 284 HB3 LYS 45 2HB LYS 45 -2.722 1.220 3.918 285 HG2 LYS 45 1HG LYS 45 -3.616 3.577 2.285 286 HG3 LYS 45 2HG LYS 45 -4.417 2.005 2.213 287 HD2 LYS 45 1HD LYS 45 -4.028 2.830 4.948 288 HD3 LYS 45 2HD LYS 45 -4.890 4.072 4.038 289 HE2 LYS 45 2HE LYS 45 -6.519 2.400 3.301 290 HE3 LYS 45 1HE LYS 45 -5.646 1.152 4.191 291 HZ1 LYS 45 3HZ LYS 45 -7.518 3.117 5.146 292 HZ2 LYS 45 1HZ LYS 45 -6.097 3.047 6.076 293 HZ3 LYS 45 2HZ LYS 45 -7.035 1.652 5.843 294 H CYS 46 H CYS 46 -0.918 3.019 6.210 295 HA CYS 46 HA CYS 46 1.560 1.534 6.028 296 HB2 CYS 46 1HB CYS 46 0.158 3.131 8.109 297 HB3 CYS 46 2HB CYS 46 1.234 1.860 8.676 298 H CYS 47 H CYS 47 0.967 -0.547 5.450 299 HA CYS 47 HA CYS 47 -0.655 -2.004 7.435 300 HB2 CYS 47 1HB CYS 47 -0.532 -2.763 4.526 301 HB3 CYS 47 2HB CYS 47 -1.715 -3.246 5.738 302 H LYS 48 H LYS 48 -0.141 -4.261 7.669 303 HA LYS 48 HA LYS 48 2.658 -4.865 6.986 304 HB2 LYS 48 1HB LYS 48 2.188 -5.079 9.356 305 HB3 LYS 48 2HB LYS 48 0.767 -6.059 9.030 306 HG2 LYS 48 1HG LYS 48 2.634 -7.573 7.839 307 HG3 LYS 48 2HG LYS 48 3.614 -6.812 9.092 308 HD2 LYS 48 1HD LYS 48 2.428 -7.787 10.807 309 HD3 LYS 48 2HD LYS 48 0.967 -7.965 9.832 310 HE2 LYS 48 2HE LYS 48 3.205 -9.494 8.772 311 HE3 LYS 48 1HE LYS 48 2.802 -9.953 10.426 312 HZ1 LYS 48 3HZ LYS 48 1.473 -11.302 9.085 313 HZ2 LYS 48 1HZ LYS 48 1.085 -10.040 8.023 314 HZ3 LYS 48 2HZ LYS 48 0.416 -10.070 9.581 315 H ASP 49 H ASP 49 -0.592 -6.167 7.061 316 HA ASP 49 HA ASP 49 -1.655 -7.828 5.991 317 HB2 ASP 49 1HB ASP 49 -1.057 -6.051 4.162 318 HB3 ASP 49 2HB ASP 49 -0.004 -7.324 3.547 319 H ASP 50 H ASP 50 -0.252 -9.205 3.603 320 HA ASP 50 HA ASP 50 1.785 -10.749 5.017 321 HB2 ASP 50 1HB ASP 50 -0.351 -11.956 5.371 322 HB3 ASP 50 2HB ASP 50 -0.562 -12.058 3.625 323 H VAL 51 H VAL 51 3.275 -9.796 3.644 324 HA VAL 51 HA VAL 51 3.017 -10.172 0.781 325 HB VAL 51 HB VAL 51 5.668 -9.373 1.474 326 HG11 VAL 51 1HG1 VAL 51 5.029 -7.340 0.243 327 HG12 VAL 51 2HG1 VAL 51 4.538 -8.812 -0.595 328 HG13 VAL 51 3HG1 VAL 51 3.345 -7.858 0.291 329 HG21 VAL 51 3HG2 VAL 51 4.009 -8.661 3.544 330 HG22 VAL 51 1HG2 VAL 51 5.530 -7.872 3.125 331 HG23 VAL 51 2HG2 VAL 51 4.004 -7.221 2.525 332 H THR 52 H THR 52 2.888 -12.514 0.950 333 HA THR 52 HA THR 52 5.138 -13.994 1.930 334 HB THR 52 HB THR 52 3.566 -15.626 0.237 335 HG1 THR 52 1HG THR 52 1.802 -14.336 2.018 336 HG21 THR 52 3HG2 THR 52 3.036 -16.771 2.251 337 HG22 THR 52 1HG2 THR 52 3.301 -15.323 3.222 338 HG23 THR 52 2HG2 THR 52 4.668 -16.133 2.456 339 H ASN 53 H ASN 53 4.316 -12.497 -1.029 340 HA ASN 53 HA ASN 53 6.138 -14.140 -2.599 341 HB2 ASN 53 1HB ASN 53 3.883 -13.167 -3.439 342 HB3 ASN 53 2HB ASN 53 4.767 -11.651 -3.596 343 HD21 ASN 53 1HD2 ASN 53 3.861 -12.309 -5.861 344 HD22 ASN 53 2HD2 ASN 53 5.001 -13.129 -6.888 345 H THR 54 H THR 54 8.109 -13.489 -3.304 346 HA THR 54 HA THR 54 9.385 -11.358 -1.855 347 HB THR 54 HB THR 54 11.148 -12.301 -3.829 348 HG1 THR 54 1HG THR 54 9.628 -14.447 -2.685 349 HG21 THR 54 3HG2 THR 54 11.706 -13.823 -1.625 350 HG22 THR 54 1HG2 THR 54 10.778 -12.495 -0.925 351 HG23 THR 54 2HG2 THR 54 12.234 -12.157 -1.862 352 H GLY 55 H GLY 55 7.605 -9.987 -3.110 353 HA2 GLY 55 1HA GLY 55 8.080 -7.890 -4.331 354 HA3 GLY 55 2HA GLY 55 8.901 -8.885 -5.528 355 H ASN 56 H ASN 56 5.811 -7.932 -4.218 356 HA ASN 56 HA ASN 56 4.467 -9.212 -6.506 357 HB2 ASN 56 1HB ASN 56 3.864 -9.703 -3.951 358 HB3 ASN 56 2HB ASN 56 2.893 -8.248 -4.165 359 HD21 ASN 56 1HD2 ASN 56 0.894 -8.592 -4.786 360 HD22 ASN 56 2HD2 ASN 56 0.328 -9.937 -5.722 361 H SER 57 H SER 57 2.811 -8.019 -7.572 362 HA SER 57 HA SER 57 3.401 -5.189 -7.658 363 HB2 SER 57 1HB SER 57 1.310 -5.871 -9.449 364 HB3 SER 57 2HB SER 57 3.000 -5.543 -9.837 365 HG SER 57 HG SER 57 1.867 -7.758 -10.280 366 H PHE 58 H PHE 58 0.307 -6.942 -7.870 367 HA PHE 58 HA PHE 58 -0.880 -4.779 -6.288 368 HB2 PHE 58 1HB PHE 58 -1.645 -5.767 -8.731 369 HB3 PHE 58 2HB PHE 58 -2.730 -6.611 -7.626 370 HD1 PHE 58 2HD PHE 58 -1.320 -3.181 -7.953 371 HD2 PHE 58 1HD PHE 58 -4.758 -5.603 -7.333 372 HE1 PHE 58 2HE PHE 58 -2.714 -1.153 -7.783 373 HE2 PHE 58 1HE PHE 58 -6.161 -3.586 -7.156 374 HZ PHE 58 HZ PHE 58 -5.135 -1.359 -7.383 375 H LEU 59 H LEU 59 -1.277 -5.204 -4.259 376 HA LEU 59 HA LEU 59 -2.309 -7.876 -3.580 377 HB2 LEU 59 1HB LEU 59 -1.346 -7.415 -1.266 378 HB3 LEU 59 2HB LEU 59 -0.217 -7.848 -2.533 379 HG LEU 59 HG LEU 59 -0.496 -4.982 -2.396 380 HD11 LEU 59 1HD1 LEU 59 0.891 -5.718 0.030 381 HD12 LEU 59 2HD1 LEU 59 -0.349 -4.490 -0.234 382 HD13 LEU 59 3HD1 LEU 59 -0.814 -6.160 0.093 383 HD21 LEU 59 3HD2 LEU 59 1.832 -5.032 -2.473 384 HD22 LEU 59 1HD2 LEU 59 1.921 -6.591 -1.655 385 HD23 LEU 59 2HD2 LEU 59 1.361 -6.503 -3.325 386 H ILE 60 H ILE 60 -4.358 -7.780 -2.961 387 HA ILE 60 HA ILE 60 -5.480 -5.212 -2.214 388 HB ILE 60 HB ILE 60 -6.575 -6.997 -3.776 389 HG12 ILE 60 2HG1 ILE 60 -8.688 -6.102 -1.987 390 HG13 ILE 60 1HG1 ILE 60 -7.516 -4.834 -2.327 391 HG21 ILE 60 1HG2 ILE 60 -6.841 -8.266 -1.164 392 HG22 ILE 60 2HG2 ILE 60 -8.363 -8.116 -2.042 393 HG23 ILE 60 3HG2 ILE 60 -6.996 -8.947 -2.784 394 HD11 ILE 60 3HD1 ILE 60 -9.647 -5.744 -3.939 395 HD12 ILE 60 1HD1 ILE 60 -8.470 -4.477 -4.281 396 HD13 ILE 60 2HD1 ILE 60 -8.140 -6.140 -4.763 397 H ILE 61 H ILE 61 -6.105 -4.627 -0.213 398 HA ILE 61 HA ILE 61 -5.301 -6.470 1.925 399 HB ILE 61 HB ILE 61 -5.672 -3.488 2.175 400 HG12 ILE 61 2HG1 ILE 61 -3.079 -4.990 1.756 401 HG13 ILE 61 1HG1 ILE 61 -3.911 -4.079 0.499 402 HG21 ILE 61 1HG2 ILE 61 -4.574 -5.642 3.942 403 HG22 ILE 61 2HG2 ILE 61 -4.009 -3.980 4.111 404 HG23 ILE 61 3HG2 ILE 61 -5.720 -4.355 4.325 405 HD11 ILE 61 3HD1 ILE 61 -2.591 -3.046 2.979 406 HD12 ILE 61 1HD1 ILE 61 -2.226 -2.669 1.295 407 HD13 ILE 61 2HD1 ILE 61 -3.715 -2.075 2.029 408 H ASN 62 H ASN 62 -6.675 -7.091 3.462 409 HA ASN 62 HA ASN 62 -9.475 -6.534 3.129 410 HB2 ASN 62 1HB ASN 62 -7.927 -8.578 4.315 411 HB3 ASN 62 2HB ASN 62 -8.919 -7.893 5.600 412 HD21 ASN 62 1HD2 ASN 62 -10.623 -9.175 5.872 413 HD22 ASN 62 2HD2 ASN 62 -11.619 -9.814 4.601 414 H ALA 63 H ALA 63 -7.387 -4.499 4.115 415 HA ALA 63 HA ALA 63 -7.565 -2.512 5.174 416 HB1 ALA 63 1HB ALA 63 -9.905 -2.484 4.594 417 HB2 ALA 63 2HB ALA 63 -10.292 -3.469 6.006 418 HB3 ALA 63 3HB ALA 63 -9.673 -1.831 6.216 419 H ALA 64 H ALA 64 -8.476 -5.320 7.106 420 HA ALA 64 HA ALA 64 -7.921 -4.017 9.606 421 HB1 ALA 64 1HB ALA 64 -8.098 -6.979 9.379 422 HB2 ALA 64 2HB ALA 64 -8.734 -5.900 10.622 423 HB3 ALA 64 3HB ALA 64 -9.532 -6.005 9.053 424 H ASN 65 H ASN 65 -5.820 -4.791 7.342 425 HA ASN 65 HA ASN 65 -3.821 -5.957 9.158 426 HB2 ASN 65 1HB ASN 65 -4.372 -6.230 6.317 427 HB3 ASN 65 2HB ASN 65 -2.687 -5.811 6.618 428 HD21 ASN 65 1HD2 ASN 65 -3.625 -8.255 5.557 429 HD22 ASN 65 2HD2 ASN 65 -3.201 -9.498 6.684 430 H CYS 66 H CYS 66 -4.898 -3.086 8.273 431 HA CYS 66 HA CYS 66 -2.266 -1.777 8.242 432 HB2 CYS 66 1HB CYS 66 -4.917 -0.496 7.574 433 HB3 CYS 66 2HB CYS 66 -3.302 0.105 7.209 434 H VAL 67 H VAL 67 -2.002 0.162 9.536 435 HA VAL 67 HA VAL 67 -3.586 0.077 12.004 436 HB VAL 67 HB VAL 67 -1.796 1.865 12.695 437 HG11 VAL 67 1HG1 VAL 67 -2.131 -0.487 13.550 438 HG12 VAL 67 2HG1 VAL 67 -0.879 -0.980 12.409 439 HG13 VAL 67 3HG1 VAL 67 -0.502 0.171 13.691 440 HG21 VAL 67 3HG2 VAL 67 -0.215 0.371 10.617 441 HG22 VAL 67 1HG2 VAL 67 -0.888 1.978 10.345 442 HG23 VAL 67 2HG2 VAL 67 0.305 1.727 11.618 443 H ALA 68 H ALA 68 -3.467 1.695 9.114 444 HA ALA 68 HA ALA 68 -5.368 3.666 9.948 445 HB1 ALA 68 1HB ALA 68 -2.579 4.393 9.747 446 HB2 ALA 68 2HB ALA 68 -3.541 5.268 8.555 447 HB3 ALA 68 3HB ALA 68 -3.952 5.367 10.267 Start of MODEL 12 1 H1 SER 1 1H SER 1 -1.471 14.853 -2.876 2 H2 SER 1 2H SER 1 -2.969 15.213 -2.167 3 H3 SER 1 3H SER 1 -2.575 15.855 -3.685 4 HA SER 1 HA SER 1 -3.869 13.462 -3.102 5 HB2 SER 1 1HB SER 1 -3.230 13.659 -5.861 6 HB3 SER 1 2HB SER 1 -4.733 14.128 -5.063 7 HG SER 1 HG SER 1 -4.185 16.074 -5.638 8 H ALA 2 H ALA 2 -0.847 14.029 -4.917 9 HA ALA 2 HA ALA 2 -0.234 11.167 -4.623 10 HB1 ALA 2 1HB ALA 2 -0.316 11.807 -6.923 11 HB2 ALA 2 2HB ALA 2 0.726 13.201 -6.630 12 HB3 ALA 2 3HB ALA 2 1.378 11.566 -6.496 13 H THR 3 H THR 3 0.768 11.079 -2.666 14 HA THR 3 HA THR 3 2.744 13.005 -1.886 15 HB THR 3 HB THR 3 2.864 10.594 -0.331 16 HG1 THR 3 1HG THR 3 0.531 10.877 0.364 17 HG21 THR 3 3HG2 THR 3 3.159 12.208 1.175 18 HG22 THR 3 1HG2 THR 3 1.450 12.620 1.035 19 HG23 THR 3 2HG2 THR 3 2.640 13.427 0.012 20 H THR 4 H THR 4 4.884 12.910 -2.135 21 HA THR 4 HA THR 4 6.113 10.584 -3.387 22 HB THR 4 HB THR 4 7.733 12.891 -2.398 23 HG1 THR 4 1HG THR 4 5.709 13.014 -4.366 24 HG21 THR 4 3HG2 THR 4 8.903 12.520 -4.535 25 HG22 THR 4 1HG2 THR 4 7.742 11.257 -4.942 26 HG23 THR 4 2HG2 THR 4 8.823 11.050 -3.564 27 H ILE 5 H ILE 5 6.508 8.923 -2.038 28 HA ILE 5 HA ILE 5 6.833 9.434 0.795 29 HB ILE 5 HB ILE 5 6.410 7.180 1.188 30 HG12 ILE 5 2HG1 ILE 5 6.895 6.456 -1.702 31 HG13 ILE 5 1HG1 ILE 5 8.162 6.388 -0.481 32 HG21 ILE 5 1HG2 ILE 5 4.332 7.743 0.569 33 HG22 ILE 5 2HG2 ILE 5 4.854 8.397 -0.983 34 HG23 ILE 5 3HG2 ILE 5 4.641 6.656 -0.784 35 HD11 ILE 5 3HD1 ILE 5 7.516 4.318 -0.063 36 HD12 ILE 5 1HD1 ILE 5 6.036 4.986 0.625 37 HD13 ILE 5 2HD1 ILE 5 6.079 4.500 -1.069 38 H GLY 6 H GLY 6 8.618 9.166 1.983 39 HA2 GLY 6 1HA GLY 6 11.090 8.419 0.588 40 HA3 GLY 6 2HA GLY 6 10.994 9.291 2.116 41 HA PRO 7 HA PRO 7 11.765 4.817 3.053 42 HB2 PRO 7 1HB PRO 7 13.937 5.689 4.759 43 HB3 PRO 7 2HB PRO 7 14.010 4.687 3.309 44 HG2 PRO 7 1HG PRO 7 15.025 7.218 3.446 45 HG3 PRO 7 2HG PRO 7 14.456 6.468 1.946 46 HD2 PRO 7 1HD PRO 7 13.072 8.439 3.723 47 HD3 PRO 7 2HD PRO 7 13.113 8.353 1.948 48 H ASN 8 H ASN 8 11.625 7.671 5.067 49 HA ASN 8 HA ASN 8 10.964 6.065 7.428 50 HB2 ASN 8 1HB ASN 8 12.703 8.123 7.213 51 HB3 ASN 8 2HB ASN 8 11.249 9.004 7.667 52 HD21 ASN 8 1HD2 ASN 8 13.521 6.533 8.630 53 HD22 ASN 8 2HD2 ASN 8 13.156 6.595 10.325 54 H THR 9 H THR 9 9.017 6.144 5.487 55 HA THR 9 HA THR 9 7.136 8.254 5.997 56 HB THR 9 HB THR 9 5.762 6.208 4.729 57 HG1 THR 9 1HG THR 9 8.144 6.240 3.299 58 HG21 THR 9 3HG2 THR 9 7.323 8.573 3.724 59 HG22 THR 9 1HG2 THR 9 5.577 8.406 3.916 60 HG23 THR 9 2HG2 THR 9 6.409 7.538 2.626 61 H CYS 10 H CYS 10 6.996 4.720 6.475 62 HA CYS 10 HA CYS 10 5.057 5.175 8.633 63 HB2 CYS 10 1HB CYS 10 5.619 2.752 6.921 64 HB3 CYS 10 2HB CYS 10 4.573 2.707 8.335 65 H SER 11 H SER 11 7.220 5.839 9.718 66 HA SER 11 HA SER 11 8.937 3.692 10.527 67 HB2 SER 11 1HB SER 11 9.398 5.865 12.223 68 HB3 SER 11 2HB SER 11 10.275 5.475 10.743 69 HG SER 11 HG SER 11 9.556 7.416 10.234 70 H ILE 12 H ILE 12 7.433 2.260 11.478 71 HA ILE 12 HA ILE 12 6.884 2.938 14.292 72 HB ILE 12 HB ILE 12 5.108 1.041 12.776 73 HG12 ILE 12 2HG1 ILE 12 3.986 3.714 13.243 74 HG13 ILE 12 1HG1 ILE 12 5.275 3.685 12.043 75 HG21 ILE 12 1HG2 ILE 12 5.246 1.228 15.331 76 HG22 ILE 12 2HG2 ILE 12 4.383 2.753 15.124 77 HG23 ILE 12 3HG2 ILE 12 3.649 1.244 14.580 78 HD11 ILE 12 3HD1 ILE 12 3.730 1.538 11.328 79 HD12 ILE 12 1HD1 ILE 12 2.541 2.720 11.876 80 HD13 ILE 12 2HD1 ILE 12 3.681 3.141 10.596 81 H ASP 13 H ASP 13 7.087 0.328 11.939 82 HA ASP 13 HA ASP 13 9.121 -1.060 13.384 83 HB2 ASP 13 1HB ASP 13 6.706 -1.667 14.377 84 HB3 ASP 13 2HB ASP 13 6.677 -2.738 12.980 85 H ASP 14 H ASP 14 8.191 -3.615 12.012 86 HA ASP 14 HA ASP 14 9.064 -2.972 9.343 87 HB2 ASP 14 1HB ASP 14 9.560 -5.172 10.523 88 HB3 ASP 14 2HB ASP 14 7.874 -5.600 10.247 89 H TYR 15 H TYR 15 7.209 -1.361 9.373 90 HA TYR 15 HA TYR 15 4.743 -2.593 8.346 91 HB2 TYR 15 1HB TYR 15 5.295 -0.109 9.894 92 HB3 TYR 15 2HB TYR 15 4.005 -0.043 8.698 93 HD1 TYR 15 2HD TYR 15 2.250 -2.008 8.839 94 HD2 TYR 15 1HD TYR 15 4.808 -0.831 12.030 95 HE1 TYR 15 2HE TYR 15 0.716 -3.053 10.439 96 HE2 TYR 15 1HE TYR 15 3.279 -1.879 13.645 97 HH TYR 15 HH TYR 15 1.498 -3.862 13.475 98 H LYS 16 H LYS 16 4.535 -2.539 6.233 99 HA LYS 16 HA LYS 16 6.441 -1.040 4.676 100 HB2 LYS 16 1HB LYS 16 4.309 -3.052 3.972 101 HB3 LYS 16 2HB LYS 16 5.229 -2.195 2.743 102 HG2 LYS 16 1HG LYS 16 6.429 -4.134 2.936 103 HG3 LYS 16 2HG LYS 16 7.290 -3.084 4.064 104 HD2 LYS 16 1HD LYS 16 6.500 -4.197 5.912 105 HD3 LYS 16 2HD LYS 16 5.026 -4.722 5.097 106 HE2 LYS 16 2HE LYS 16 6.118 -6.713 5.142 107 HE3 LYS 16 1HE LYS 16 6.790 -6.079 3.642 108 HZ1 LYS 16 3HZ LYS 16 8.058 -6.276 6.305 109 HZ2 LYS 16 1HZ LYS 16 8.614 -5.137 5.174 110 HZ3 LYS 16 2HZ LYS 16 8.642 -6.791 4.794 111 HA PRO 17 HA PRO 17 3.605 2.297 3.851 112 HB2 PRO 17 1HB PRO 17 5.178 3.646 2.106 113 HB3 PRO 17 2HB PRO 17 5.476 3.657 3.849 114 HG2 PRO 17 1HG PRO 17 6.851 2.129 1.695 115 HG3 PRO 17 2HG PRO 17 7.523 2.852 3.166 116 HD2 PRO 17 1HD PRO 17 6.936 0.169 2.845 117 HD3 PRO 17 2HD PRO 17 7.081 0.993 4.408 118 H TYR 18 H TYR 18 1.958 1.330 2.751 119 HA TYR 18 HA TYR 18 2.424 0.398 0.026 120 HB2 TYR 18 1HB TYR 18 0.237 0.009 2.043 121 HB3 TYR 18 2HB TYR 18 -0.063 -0.313 0.337 122 HD1 TYR 18 1HD TYR 18 1.355 -2.037 -0.838 123 HD2 TYR 18 2HD TYR 18 1.389 -1.545 3.384 124 HE1 TYR 18 1HE TYR 18 2.345 -4.273 -0.593 125 HE2 TYR 18 2HE TYR 18 2.373 -3.776 3.644 126 HH TYR 18 HH TYR 18 2.307 -6.086 1.452 127 H CYS 19 H CYS 19 1.834 1.491 -1.694 128 HA CYS 19 HA CYS 19 0.399 3.981 -1.465 129 HB2 CYS 19 1HB CYS 19 1.355 2.472 -3.914 130 HB3 CYS 19 2HB CYS 19 0.775 4.135 -3.890 131 H CYS 20 H CYS 20 -1.722 3.769 -1.038 132 HA CYS 20 HA CYS 20 -3.175 1.564 -2.301 133 HB2 CYS 20 1HB CYS 20 -3.215 2.730 0.300 134 HB3 CYS 20 2HB CYS 20 -4.805 2.932 -0.428 135 H GLN 21 H GLN 21 -4.514 1.912 -3.887 136 HA GLN 21 HA GLN 21 -5.292 4.500 -4.773 137 HB2 GLN 21 1HB GLN 21 -5.736 1.718 -5.570 138 HB3 GLN 21 2HB GLN 21 -7.144 2.739 -5.829 139 HG2 GLN 21 1HG GLN 21 -4.464 3.653 -6.762 140 HG3 GLN 21 2HG GLN 21 -5.364 2.460 -7.699 141 HE21 GLN 21 1HE2 GLN 21 -6.586 3.264 -9.222 142 HE22 GLN 21 2HE2 GLN 21 -7.304 4.842 -9.235 143 H SER 22 H SER 22 -6.989 5.718 -4.141 144 HA SER 22 HA SER 22 -8.444 4.884 -1.814 145 HB2 SER 22 1HB SER 22 -9.319 7.345 -3.168 146 HB3 SER 22 2HB SER 22 -8.786 7.101 -1.502 147 HG SER 22 HG SER 22 -6.711 7.366 -2.101 148 H MET 23 H MET 23 -9.533 3.068 -2.763 149 HA MET 23 HA MET 23 -11.476 3.474 -4.837 150 HB2 MET 23 1HB MET 23 -10.225 1.247 -3.562 151 HB3 MET 23 2HB MET 23 -11.968 1.048 -3.424 152 HG2 MET 23 1HG MET 23 -11.622 0.034 -5.424 153 HG3 MET 23 2HG MET 23 -11.906 1.684 -5.974 154 HE1 MET 23 3HE MET 23 -9.960 -1.222 -5.615 155 HE2 MET 23 1HE MET 23 -8.731 -1.058 -6.869 156 HE3 MET 23 2HE MET 23 -8.340 -0.667 -5.194 157 H SER 24 H SER 24 -13.075 4.789 -4.318 158 HA SER 24 HA SER 24 -14.248 4.764 -1.667 159 HB2 SER 24 1HB SER 24 -15.364 6.430 -3.877 160 HB3 SER 24 2HB SER 24 -15.083 6.844 -2.184 161 HG SER 24 HG SER 24 -12.721 6.334 -3.232 162 H GLY 25 H GLY 25 -15.662 3.225 -1.234 163 HA2 GLY 25 1HA GLY 25 -18.019 2.570 -1.622 164 HA3 GLY 25 2HA GLY 25 -17.612 2.483 -3.331 165 H SER 26 H SER 26 -14.915 1.400 -2.143 166 HA SER 26 HA SER 26 -15.838 -1.375 -1.807 167 HB2 SER 26 1HB SER 26 -13.127 -1.184 -2.806 168 HB3 SER 26 2HB SER 26 -14.516 -2.013 -3.512 169 HG SER 26 HG SER 26 -14.065 -0.481 -4.979 170 H ALA 27 H ALA 27 -14.850 -2.591 -0.211 171 HA ALA 27 HA ALA 27 -13.497 -1.092 1.853 172 HB1 ALA 27 1HB ALA 27 -14.515 -2.597 3.121 173 HB2 ALA 27 2HB ALA 27 -14.997 -3.519 1.695 174 HB3 ALA 27 3HB ALA 27 -13.447 -3.842 2.472 175 H SER 28 H SER 28 -12.678 -3.625 -0.449 176 HA SER 28 HA SER 28 -9.993 -3.929 0.490 177 HB2 SER 28 1HB SER 28 -10.427 -4.804 -2.242 178 HB3 SER 28 2HB SER 28 -10.048 -5.762 -0.809 179 HG SER 28 HG SER 28 -12.095 -6.229 -0.556 180 H LEU 29 H LEU 29 -8.717 -2.171 0.343 181 HA LEU 29 HA LEU 29 -8.803 -0.514 -2.045 182 HB2 LEU 29 1HB LEU 29 -6.645 0.215 -0.331 183 HB3 LEU 29 2HB LEU 29 -8.100 1.113 -0.710 184 HG LEU 29 HG LEU 29 -8.818 -0.845 1.207 185 HD11 LEU 29 1HD1 LEU 29 -6.085 -0.001 1.485 186 HD12 LEU 29 2HD1 LEU 29 -7.050 0.578 2.843 187 HD13 LEU 29 3HD1 LEU 29 -7.008 -1.143 2.460 188 HD21 LEU 29 3HD2 LEU 29 -8.618 1.648 2.456 189 HD22 LEU 29 1HD2 LEU 29 -8.957 1.998 0.761 190 HD23 LEU 29 2HD2 LEU 29 -10.042 0.953 1.679 191 H GLY 30 H GLY 30 -7.119 -0.274 -3.480 192 HA2 GLY 30 1HA GLY 30 -5.417 -2.599 -3.736 193 HA3 GLY 30 2HA GLY 30 -5.583 -1.291 -4.900 194 H CYS 31 H CYS 31 -3.724 -2.604 -2.389 195 HA CYS 31 HA CYS 31 -2.173 -0.128 -2.078 196 HB2 CYS 31 1HB CYS 31 -2.965 -2.282 -0.269 197 HB3 CYS 31 2HB CYS 31 -1.242 -1.936 -0.196 198 H VAL 32 H VAL 32 -0.503 -0.080 -3.453 199 HA VAL 32 HA VAL 32 0.954 -2.581 -3.962 200 HB VAL 32 HB VAL 32 2.129 -0.589 -5.536 201 HG11 VAL 32 1HG1 VAL 32 1.515 -3.053 -5.955 202 HG12 VAL 32 2HG1 VAL 32 -0.035 -2.419 -6.519 203 HG13 VAL 32 3HG1 VAL 32 1.463 -1.938 -7.321 204 HG21 VAL 32 3HG2 VAL 32 -0.758 -0.423 -6.191 205 HG22 VAL 32 1HG2 VAL 32 -0.171 0.574 -4.860 206 HG23 VAL 32 2HG2 VAL 32 0.533 0.745 -6.468 207 H VAL 33 H VAL 33 3.040 -2.846 -3.340 208 HA VAL 33 HA VAL 33 3.890 -1.483 -1.063 209 HB VAL 33 HB VAL 33 4.607 -3.739 -1.431 210 HG11 VAL 33 1HG1 VAL 33 6.542 -3.091 -3.569 211 HG12 VAL 33 2HG1 VAL 33 5.629 -4.569 -3.268 212 HG13 VAL 33 3HG1 VAL 33 4.842 -3.188 -4.030 213 HG21 VAL 33 3HG2 VAL 33 6.979 -1.882 -1.545 214 HG22 VAL 33 1HG2 VAL 33 6.095 -2.357 -0.095 215 HG23 VAL 33 2HG2 VAL 33 7.009 -3.560 -1.005 216 H GLY 34 H GLY 34 4.884 0.361 -0.742 217 HA2 GLY 34 1HA GLY 34 5.740 2.059 -2.840 218 HA3 GLY 34 2HA GLY 34 6.031 2.306 -1.125 219 H VAL 35 H VAL 35 7.671 2.388 -3.743 220 HA VAL 35 HA VAL 35 9.701 0.381 -3.194 221 HB VAL 35 HB VAL 35 10.187 2.397 -5.306 222 HG11 VAL 35 1HG1 VAL 35 10.877 -0.349 -4.672 223 HG12 VAL 35 2HG1 VAL 35 10.369 -0.158 -6.349 224 HG13 VAL 35 3HG1 VAL 35 11.699 0.811 -5.715 225 HG21 VAL 35 3HG2 VAL 35 8.282 2.161 -6.425 226 HG22 VAL 35 1HG2 VAL 35 8.498 0.411 -6.450 227 HG23 VAL 35 2HG2 VAL 35 7.636 1.172 -5.113 228 H ILE 36 H ILE 36 9.043 3.329 -1.994 229 HA ILE 36 HA ILE 36 10.201 4.780 -0.676 230 HB ILE 36 HB ILE 36 12.581 2.988 -1.194 231 HG12 ILE 36 2HG1 ILE 36 10.848 1.787 -0.008 232 HG13 ILE 36 1HG1 ILE 36 12.138 2.179 1.122 233 HG21 ILE 36 1HG2 ILE 36 12.207 5.342 0.629 234 HG22 ILE 36 2HG2 ILE 36 13.426 4.104 0.936 235 HG23 ILE 36 3HG2 ILE 36 13.484 5.050 -0.552 236 HD11 ILE 36 3HD1 ILE 36 9.838 4.042 0.915 237 HD12 ILE 36 1HD1 ILE 36 9.607 2.502 1.739 238 HD13 ILE 36 2HD1 ILE 36 10.842 3.628 2.304 239 H GLY 37 H GLY 37 10.452 6.744 -1.485 240 HA2 GLY 37 1HA GLY 37 11.524 8.467 -2.651 241 HA3 GLY 37 2HA GLY 37 12.505 7.269 -3.487 242 H SER 38 H SER 38 9.152 6.683 -3.304 243 HA SER 38 HA SER 38 8.845 7.410 -6.141 244 HB2 SER 38 1HB SER 38 6.996 5.367 -5.301 245 HB3 SER 38 2HB SER 38 8.243 5.282 -6.547 246 HG SER 38 HG SER 38 9.728 4.671 -4.984 247 H GLN 39 H GLN 39 6.599 7.871 -6.792 248 HA GLN 39 HA GLN 39 5.170 9.320 -4.704 249 HB2 GLN 39 1HB GLN 39 3.763 9.494 -7.158 250 HB3 GLN 39 2HB GLN 39 4.693 10.750 -6.356 251 HG2 GLN 39 1HG GLN 39 6.141 8.757 -8.017 252 HG3 GLN 39 2HG GLN 39 5.198 10.005 -8.827 253 HE21 GLN 39 1HE2 GLN 39 5.607 12.118 -7.053 254 HE22 GLN 39 2HE2 GLN 39 7.273 12.581 -7.125 255 H CYS 40 H CYS 40 3.493 8.459 -3.682 256 HA CYS 40 HA CYS 40 2.700 5.785 -4.286 257 HB2 CYS 40 1HB CYS 40 2.287 7.696 -2.115 258 HB3 CYS 40 2HB CYS 40 0.876 6.687 -2.426 259 H GLY 41 H GLY 41 1.554 8.833 -5.287 260 HA2 GLY 41 1HA GLY 41 0.040 9.185 -7.017 261 HA3 GLY 41 2HA GLY 41 -0.478 7.514 -6.872 262 H ALA 42 H ALA 42 -1.296 7.341 -4.279 263 HA ALA 42 HA ALA 42 -3.307 9.456 -3.983 264 HB1 ALA 42 1HB ALA 42 -4.493 6.953 -3.286 265 HB2 ALA 42 2HB ALA 42 -5.000 8.122 -4.504 266 HB3 ALA 42 3HB ALA 42 -3.846 6.855 -4.923 267 H SER 43 H SER 43 -4.093 6.896 -2.027 268 HA SER 43 HA SER 43 -3.165 8.380 0.281 269 HB2 SER 43 1HB SER 43 -4.725 5.872 0.601 270 HB3 SER 43 2HB SER 43 -4.915 7.429 1.405 271 HG SER 43 HG SER 43 -6.500 7.724 0.067 272 H VAL 44 H VAL 44 -1.378 7.881 1.360 273 HA VAL 44 HA VAL 44 -0.035 5.348 0.951 274 HB VAL 44 HB VAL 44 0.742 7.463 2.957 275 HG11 VAL 44 1HG1 VAL 44 3.049 6.538 2.286 276 HG12 VAL 44 2HG1 VAL 44 2.026 5.558 3.337 277 HG13 VAL 44 3HG1 VAL 44 2.147 5.178 1.618 278 HG21 VAL 44 3HG2 VAL 44 2.079 8.547 1.294 279 HG22 VAL 44 1HG2 VAL 44 1.644 7.340 0.084 280 HG23 VAL 44 2HG2 VAL 44 0.423 8.459 0.694 281 H LYS 45 H LYS 45 -0.298 3.599 2.182 282 HA LYS 45 HA LYS 45 -1.659 3.945 4.776 283 HB2 LYS 45 1HB LYS 45 -1.832 1.605 2.870 284 HB3 LYS 45 2HB LYS 45 -2.626 1.707 4.435 285 HG2 LYS 45 1HG LYS 45 -3.149 3.811 2.392 286 HG3 LYS 45 2HG LYS 45 -3.934 2.239 2.247 287 HD2 LYS 45 1HD LYS 45 -4.025 3.882 4.765 288 HD3 LYS 45 2HD LYS 45 -5.227 4.029 3.481 289 HE2 LYS 45 2HE LYS 45 -6.040 1.882 3.820 290 HE3 LYS 45 1HE LYS 45 -4.576 1.352 4.648 291 HZ1 LYS 45 3HZ LYS 45 -5.322 3.181 6.348 292 HZ2 LYS 45 1HZ LYS 45 -5.977 1.616 6.403 293 HZ3 LYS 45 2HZ LYS 45 -6.856 2.873 5.682 294 H CYS 46 H CYS 46 -0.644 3.233 6.517 295 HA CYS 46 HA CYS 46 1.837 1.748 6.254 296 HB2 CYS 46 1HB CYS 46 0.388 2.797 8.703 297 HB3 CYS 46 2HB CYS 46 1.971 2.028 8.722 298 H CYS 47 H CYS 47 1.367 -0.292 5.645 299 HA CYS 47 HA CYS 47 -0.746 -1.685 7.145 300 HB2 CYS 47 1HB CYS 47 -1.012 -1.120 4.609 301 HB3 CYS 47 2HB CYS 47 0.078 -2.484 4.386 302 H LYS 48 H LYS 48 -0.483 -3.850 7.635 303 HA LYS 48 HA LYS 48 2.279 -4.838 7.521 304 HB2 LYS 48 1HB LYS 48 0.576 -4.654 9.670 305 HB3 LYS 48 2HB LYS 48 0.347 -6.320 9.157 306 HG2 LYS 48 1HG LYS 48 3.127 -5.302 9.437 307 HG3 LYS 48 2HG LYS 48 2.206 -5.644 10.903 308 HD2 LYS 48 1HD LYS 48 2.998 -7.734 10.630 309 HD3 LYS 48 2HD LYS 48 1.703 -7.875 9.439 310 HE2 LYS 48 2HE LYS 48 3.231 -7.280 7.659 311 HE3 LYS 48 1HE LYS 48 4.527 -7.014 8.824 312 HZ1 LYS 48 3HZ LYS 48 4.562 -9.321 9.354 313 HZ2 LYS 48 1HZ LYS 48 4.623 -9.188 7.664 314 HZ3 LYS 48 2HZ LYS 48 3.175 -9.630 8.432 315 H ASP 49 H ASP 49 0.748 -4.943 5.208 316 HA ASP 49 HA ASP 49 -0.604 -7.399 4.870 317 HB2 ASP 49 1HB ASP 49 -1.090 -5.843 3.192 318 HB3 ASP 49 2HB ASP 49 0.599 -5.391 2.983 319 H ASP 50 H ASP 50 0.154 -9.398 4.294 320 HA ASP 50 HA ASP 50 3.048 -9.753 4.461 321 HB2 ASP 50 1HB ASP 50 0.932 -11.208 5.523 322 HB3 ASP 50 2HB ASP 50 1.485 -12.199 4.175 323 H VAL 51 H VAL 51 3.342 -8.790 2.402 324 HA VAL 51 HA VAL 51 2.396 -9.218 -0.036 325 HB VAL 51 HB VAL 51 5.087 -9.448 -0.608 326 HG11 VAL 51 1HG1 VAL 51 4.822 -6.794 -0.453 327 HG12 VAL 51 2HG1 VAL 51 4.082 -7.762 -1.728 328 HG13 VAL 51 3HG1 VAL 51 3.124 -7.257 -0.338 329 HG21 VAL 51 3HG2 VAL 51 4.745 -8.519 2.171 330 HG22 VAL 51 1HG2 VAL 51 6.137 -9.260 1.381 331 HG23 VAL 51 2HG2 VAL 51 5.807 -7.543 1.156 332 H THR 52 H THR 52 1.687 -10.970 -0.990 333 HA THR 52 HA THR 52 3.265 -13.449 -0.794 334 HB THR 52 HB THR 52 0.577 -13.963 -1.626 335 HG1 THR 52 1HG THR 52 0.881 -12.281 0.664 336 HG21 THR 52 3HG2 THR 52 1.366 -15.750 -0.499 337 HG22 THR 52 1HG2 THR 52 0.759 -14.906 0.927 338 HG23 THR 52 2HG2 THR 52 2.460 -14.770 0.479 339 H ASN 53 H ASN 53 2.714 -14.976 -2.706 340 HA ASN 53 HA ASN 53 3.414 -13.571 -5.119 341 HB2 ASN 53 1HB ASN 53 4.091 -15.608 -5.927 342 HB3 ASN 53 2HB ASN 53 4.123 -15.974 -4.207 343 HD21 ASN 53 1HD2 ASN 53 3.133 -17.065 -7.140 344 HD22 ASN 53 2HD2 ASN 53 1.874 -18.144 -6.637 345 H THR 54 H THR 54 0.514 -14.086 -3.675 346 HA THR 54 HA THR 54 -1.042 -14.988 -5.904 347 HB THR 54 HB THR 54 -2.748 -13.818 -4.002 348 HG1 THR 54 1HG THR 54 -1.789 -14.055 -2.116 349 HG21 THR 54 3HG2 THR 54 -2.125 -16.398 -5.104 350 HG22 THR 54 1HG2 THR 54 -3.645 -15.817 -4.425 351 HG23 THR 54 2HG2 THR 54 -2.429 -16.543 -3.373 352 H GLY 55 H GLY 55 0.302 -12.015 -5.116 353 HA2 GLY 55 1HA GLY 55 -1.841 -10.312 -5.988 354 HA3 GLY 55 2HA GLY 55 -0.170 -9.834 -5.725 355 H ASN 56 H ASN 56 -2.406 -9.778 -7.988 356 HA ASN 56 HA ASN 56 -0.924 -10.874 -10.220 357 HB2 ASN 56 1HB ASN 56 -3.534 -10.637 -9.887 358 HB3 ASN 56 2HB ASN 56 -3.263 -9.039 -10.573 359 HD21 ASN 56 1HD2 ASN 56 -4.491 -9.576 -12.382 360 HD22 ASN 56 2HD2 ASN 56 -3.878 -10.612 -13.624 361 H SER 57 H SER 57 -2.457 -7.797 -10.680 362 HA SER 57 HA SER 57 0.049 -6.639 -11.531 363 HB2 SER 57 1HB SER 57 -2.519 -5.096 -11.380 364 HB3 SER 57 2HB SER 57 -1.226 -4.997 -12.576 365 HG SER 57 HG SER 57 -2.073 -6.615 -13.666 366 H PHE 58 H PHE 58 -2.311 -6.176 -8.948 367 HA PHE 58 HA PHE 58 -0.297 -4.939 -7.303 368 HB2 PHE 58 1HB PHE 58 -1.419 -2.884 -6.894 369 HB3 PHE 58 2HB PHE 58 -1.349 -3.065 -8.639 370 HD1 PHE 58 2HD PHE 58 -3.581 -4.612 -9.414 371 HD2 PHE 58 1HD PHE 58 -3.289 -1.821 -6.220 372 HE1 PHE 58 2HE PHE 58 -6.007 -4.234 -9.528 373 HE2 PHE 58 1HE PHE 58 -5.706 -1.435 -6.327 374 HZ PHE 58 HZ PHE 58 -7.078 -2.639 -7.982 375 H LEU 59 H LEU 59 -1.038 -4.711 -5.040 376 HA LEU 59 HA LEU 59 -2.616 -7.074 -4.435 377 HB2 LEU 59 1HB LEU 59 -1.220 -5.409 -2.376 378 HB3 LEU 59 2HB LEU 59 -1.565 -7.128 -2.360 379 HG LEU 59 HG LEU 59 0.255 -6.253 -4.503 380 HD11 LEU 59 1HD1 LEU 59 0.824 -5.750 -1.632 381 HD12 LEU 59 2HD1 LEU 59 2.119 -6.396 -2.639 382 HD13 LEU 59 3HD1 LEU 59 1.353 -4.865 -3.064 383 HD21 LEU 59 3HD2 LEU 59 -0.409 -8.622 -3.863 384 HD22 LEU 59 1HD2 LEU 59 1.316 -8.308 -4.056 385 HD23 LEU 59 2HD2 LEU 59 0.612 -8.409 -2.442 386 H ILE 60 H ILE 60 -4.736 -6.639 -4.464 387 HA ILE 60 HA ILE 60 -5.811 -4.318 -3.087 388 HB ILE 60 HB ILE 60 -7.730 -6.412 -3.816 389 HG12 ILE 60 2HG1 ILE 60 -6.842 -5.086 -6.264 390 HG13 ILE 60 1HG1 ILE 60 -5.624 -6.170 -5.598 391 HG21 ILE 60 1HG2 ILE 60 -8.811 -4.482 -4.948 392 HG22 ILE 60 2HG2 ILE 60 -8.456 -4.207 -3.243 393 HG23 ILE 60 3HG2 ILE 60 -7.428 -3.494 -4.484 394 HD11 ILE 60 3HD1 ILE 60 -6.939 -7.388 -7.161 395 HD12 ILE 60 1HD1 ILE 60 -7.350 -7.962 -5.545 396 HD13 ILE 60 2HD1 ILE 60 -8.438 -6.864 -6.395 397 H ILE 61 H ILE 61 -5.400 -4.570 -0.910 398 HA ILE 61 HA ILE 61 -5.732 -7.200 0.292 399 HB ILE 61 HB ILE 61 -5.041 -5.577 2.373 400 HG12 ILE 61 2HG1 ILE 61 -3.146 -4.596 0.337 401 HG13 ILE 61 1HG1 ILE 61 -4.751 -3.875 0.266 402 HG21 ILE 61 1HG2 ILE 61 -2.946 -6.701 0.563 403 HG22 ILE 61 2HG2 ILE 61 -3.018 -6.699 2.326 404 HG23 ILE 61 3HG2 ILE 61 -4.078 -7.764 1.399 405 HD11 ILE 61 3HD1 ILE 61 -2.600 -3.347 2.072 406 HD12 ILE 61 1HD1 ILE 61 -4.131 -2.494 1.870 407 HD13 ILE 61 2HD1 ILE 61 -4.026 -3.872 2.966 408 H ASN 62 H ASN 62 -6.616 -7.157 2.618 409 HA ASN 62 HA ASN 62 -9.368 -6.329 2.352 410 HB2 ASN 62 1HB ASN 62 -8.019 -8.451 3.625 411 HB3 ASN 62 2HB ASN 62 -8.799 -7.526 4.905 412 HD21 ASN 62 1HD2 ASN 62 -10.694 -8.413 5.398 413 HD22 ASN 62 2HD2 ASN 62 -11.844 -9.040 4.257 414 H ALA 63 H ALA 63 -6.647 -4.891 3.533 415 HA ALA 63 HA ALA 63 -6.362 -2.819 4.402 416 HB1 ALA 63 1HB ALA 63 -8.050 -1.306 4.391 417 HB2 ALA 63 2HB ALA 63 -8.784 -2.559 3.390 418 HB3 ALA 63 3HB ALA 63 -9.216 -2.426 5.095 419 H ALA 64 H ALA 64 -7.984 -5.268 6.188 420 HA ALA 64 HA ALA 64 -8.095 -3.818 8.663 421 HB1 ALA 64 1HB ALA 64 -8.991 -5.806 9.618 422 HB2 ALA 64 2HB ALA 64 -9.691 -5.631 8.010 423 HB3 ALA 64 3HB ALA 64 -8.390 -6.790 8.284 424 H ASN 65 H ASN 65 -5.553 -5.167 7.027 425 HA ASN 65 HA ASN 65 -4.139 -5.971 9.459 426 HB2 ASN 65 1HB ASN 65 -2.301 -6.589 7.753 427 HB3 ASN 65 2HB ASN 65 -3.743 -7.589 7.828 428 HD21 ASN 65 1HD2 ASN 65 -2.800 -8.175 5.699 429 HD22 ASN 65 2HD2 ASN 65 -3.287 -7.256 4.325 430 H CYS 66 H CYS 66 -4.478 -3.345 7.343 431 HA CYS 66 HA CYS 66 -1.997 -2.061 8.041 432 HB2 CYS 66 1HB CYS 66 -4.361 -0.525 7.045 433 HB3 CYS 66 2HB CYS 66 -2.655 -0.324 6.663 434 H VAL 67 H VAL 67 -1.739 -0.274 9.450 435 HA VAL 67 HA VAL 67 -3.753 -0.199 11.587 436 HB VAL 67 HB VAL 67 -1.910 1.066 12.846 437 HG11 VAL 67 1HG1 VAL 67 -2.325 -1.052 13.641 438 HG12 VAL 67 2HG1 VAL 67 -1.878 -1.829 12.121 439 HG13 VAL 67 3HG1 VAL 67 -0.628 -1.174 13.179 440 HG21 VAL 67 3HG2 VAL 67 0.098 -0.278 11.151 441 HG22 VAL 67 1HG2 VAL 67 -0.640 1.174 10.475 442 HG23 VAL 67 2HG2 VAL 67 0.188 1.249 12.029 443 H ALA 68 H ALA 68 -2.486 1.633 9.015 444 HA ALA 68 HA ALA 68 -4.214 3.867 9.715 445 HB1 ALA 68 1HB ALA 68 -2.581 5.542 9.516 446 HB2 ALA 68 2HB ALA 68 -1.822 4.312 10.526 447 HB3 ALA 68 3HB ALA 68 -1.402 4.432 8.817 Start of MODEL 13 1 H1 SER 1 1H SER 1 -3.576 14.025 -1.956 2 H2 SER 1 2H SER 1 -2.028 13.846 -1.289 3 H3 SER 1 3H SER 1 -2.817 12.507 -1.974 4 HA SER 1 HA SER 1 -2.807 13.729 -4.133 5 HB2 SER 1 1HB SER 1 -0.520 15.334 -3.113 6 HB3 SER 1 2HB SER 1 -1.719 15.738 -4.343 7 HG SER 1 HG SER 1 -2.078 17.017 -2.538 8 H ALA 2 H ALA 2 -0.227 14.055 -5.138 9 HA ALA 2 HA ALA 2 0.769 11.370 -4.894 10 HB1 ALA 2 1HB ALA 2 1.877 11.757 -6.828 11 HB2 ALA 2 2HB ALA 2 0.744 13.103 -6.948 12 HB3 ALA 2 3HB ALA 2 2.379 13.376 -6.344 13 H THR 3 H THR 3 1.779 10.916 -3.049 14 HA THR 3 HA THR 3 3.718 12.836 -1.966 15 HB THR 3 HB THR 3 3.418 10.486 -0.349 16 HG1 THR 3 1HG THR 3 1.053 11.655 -1.377 17 HG21 THR 3 3HG2 THR 3 3.481 12.024 1.287 18 HG22 THR 3 1HG2 THR 3 2.159 12.953 0.588 19 HG23 THR 3 2HG2 THR 3 3.804 13.181 -0.006 20 H THR 4 H THR 4 5.817 12.492 -2.112 21 HA THR 4 HA THR 4 6.770 10.075 -3.421 22 HB THR 4 HB THR 4 8.694 12.156 -2.526 23 HG1 THR 4 1HG THR 4 6.876 13.390 -3.254 24 HG21 THR 4 3HG2 THR 4 9.354 10.207 -3.894 25 HG22 THR 4 1HG2 THR 4 9.660 11.739 -4.715 26 HG23 THR 4 2HG2 THR 4 8.267 10.758 -5.171 27 H ILE 5 H ILE 5 6.657 8.476 -1.882 28 HA ILE 5 HA ILE 5 7.632 8.846 0.783 29 HB ILE 5 HB ILE 5 7.143 6.578 1.191 30 HG12 ILE 5 2HG1 ILE 5 6.405 5.404 -1.253 31 HG13 ILE 5 1HG1 ILE 5 7.952 6.194 -1.558 32 HG21 ILE 5 1HG2 ILE 5 5.016 7.211 1.105 33 HG22 ILE 5 2HG2 ILE 5 5.272 8.146 -0.367 34 HG23 ILE 5 3HG2 ILE 5 4.946 6.415 -0.468 35 HD11 ILE 5 3HD1 ILE 5 7.604 4.470 0.853 36 HD12 ILE 5 1HD1 ILE 5 7.904 3.746 -0.728 37 HD13 ILE 5 2HD1 ILE 5 9.072 4.871 -0.036 38 H GLY 6 H GLY 6 9.554 8.208 1.680 39 HA2 GLY 6 1HA GLY 6 11.673 7.592 -0.276 40 HA3 GLY 6 2HA GLY 6 11.919 8.484 1.221 41 HA PRO 7 HA PRO 7 13.275 4.436 2.527 42 HB2 PRO 7 1HB PRO 7 14.504 5.231 4.793 43 HB3 PRO 7 2HB PRO 7 15.210 5.487 3.194 44 HG2 PRO 7 1HG PRO 7 13.785 7.408 4.967 45 HG3 PRO 7 2HG PRO 7 15.191 7.678 3.926 46 HD2 PRO 7 1HD PRO 7 12.606 8.386 3.283 47 HD3 PRO 7 2HD PRO 7 13.897 8.103 2.099 48 H ASN 8 H ASN 8 10.906 4.068 2.825 49 HA ASN 8 HA ASN 8 9.247 3.125 4.031 50 HB2 ASN 8 1HB ASN 8 11.336 1.905 4.963 51 HB3 ASN 8 2HB ASN 8 11.073 2.891 6.401 52 HD21 ASN 8 1HD2 ASN 8 10.934 0.350 6.906 53 HD22 ASN 8 2HD2 ASN 8 9.301 -0.222 7.036 54 H THR 9 H THR 9 8.002 4.977 4.109 55 HA THR 9 HA THR 9 8.235 6.866 6.255 56 HB THR 9 HB THR 9 5.758 6.685 4.616 57 HG1 THR 9 1HG THR 9 8.263 7.549 3.550 58 HG21 THR 9 3HG2 THR 9 7.503 9.091 4.939 59 HG22 THR 9 1HG2 THR 9 6.534 8.538 6.305 60 HG23 THR 9 2HG2 THR 9 5.747 8.989 4.793 61 H CYS 10 H CYS 10 6.978 3.782 6.077 62 HA CYS 10 HA CYS 10 5.232 4.268 8.383 63 HB2 CYS 10 1HB CYS 10 4.562 2.758 5.867 64 HB3 CYS 10 2HB CYS 10 3.754 2.395 7.387 65 H SER 11 H SER 11 7.754 3.486 8.795 66 HA SER 11 HA SER 11 8.150 0.671 8.706 67 HB2 SER 11 1HB SER 11 9.705 1.988 10.762 68 HB3 SER 11 2HB SER 11 10.247 1.279 9.239 69 HG SER 11 HG SER 11 10.175 3.191 8.295 70 H ILE 12 H ILE 12 7.486 2.900 11.394 71 HA ILE 12 HA ILE 12 6.859 2.559 13.554 72 HB ILE 12 HB ILE 12 4.887 0.556 12.479 73 HG12 ILE 12 2HG1 ILE 12 4.442 3.530 12.367 74 HG13 ILE 12 1HG1 ILE 12 5.182 2.675 11.018 75 HG21 ILE 12 1HG2 ILE 12 3.928 2.634 14.259 76 HG22 ILE 12 2HG2 ILE 12 3.806 0.881 14.402 77 HG23 ILE 12 3HG2 ILE 12 5.254 1.712 14.969 78 HD11 ILE 12 3HD1 ILE 12 2.546 1.823 12.159 79 HD12 ILE 12 1HD1 ILE 12 2.672 3.087 10.936 80 HD13 ILE 12 2HD1 ILE 12 3.243 1.456 10.582 81 H ASP 13 H ASP 13 5.623 -0.591 13.219 82 HA ASP 13 HA ASP 13 7.757 -1.654 14.898 83 HB2 ASP 13 1HB ASP 13 5.532 -2.088 15.699 84 HB3 ASP 13 2HB ASP 13 5.025 -2.698 14.127 85 H ASP 14 H ASP 14 5.842 -3.362 12.464 86 HA ASP 14 HA ASP 14 8.196 -3.621 10.746 87 HB2 ASP 14 1HB ASP 14 8.033 -5.701 12.147 88 HB3 ASP 14 2HB ASP 14 6.444 -5.994 11.443 89 H TYR 15 H TYR 15 6.385 -1.833 10.243 90 HA TYR 15 HA TYR 15 4.298 -2.989 8.544 91 HB2 TYR 15 1HB TYR 15 4.705 -0.226 9.696 92 HB3 TYR 15 2HB TYR 15 3.428 -0.611 8.549 93 HD1 TYR 15 2HD TYR 15 4.692 -1.238 11.956 94 HD2 TYR 15 1HD TYR 15 1.458 -1.785 9.242 95 HE1 TYR 15 2HE TYR 15 3.265 -1.983 13.812 96 HE2 TYR 15 1HE TYR 15 0.026 -2.533 11.094 97 HH TYR 15 HH TYR 15 1.263 -3.353 14.148 98 H LYS 16 H LYS 16 3.843 -1.616 6.524 99 HA LYS 16 HA LYS 16 6.332 -0.650 5.310 100 HB2 LYS 16 1HB LYS 16 4.588 -2.892 4.356 101 HB3 LYS 16 2HB LYS 16 5.392 -1.868 3.172 102 HG2 LYS 16 1HG LYS 16 7.102 -3.284 3.365 103 HG3 LYS 16 2HG LYS 16 7.426 -2.479 4.902 104 HD2 LYS 16 1HD LYS 16 5.691 -4.200 5.835 105 HD3 LYS 16 2HD LYS 16 6.088 -5.100 4.371 106 HE2 LYS 16 2HE LYS 16 7.588 -5.954 5.921 107 HE3 LYS 16 1HE LYS 16 8.542 -4.729 5.085 108 HZ1 LYS 16 3HZ LYS 16 8.252 -4.927 7.769 109 HZ2 LYS 16 1HZ LYS 16 7.126 -3.722 7.376 110 HZ3 LYS 16 2HZ LYS 16 8.751 -3.534 6.939 111 HA PRO 17 HA PRO 17 3.599 2.470 3.743 112 HB2 PRO 17 1HB PRO 17 5.096 3.490 1.750 113 HB3 PRO 17 2HB PRO 17 5.520 3.707 3.453 114 HG2 PRO 17 1HG PRO 17 6.672 1.841 1.430 115 HG3 PRO 17 2HG PRO 17 7.484 2.722 2.736 116 HD2 PRO 17 1HD PRO 17 6.745 0.050 2.825 117 HD3 PRO 17 2HD PRO 17 7.086 1.063 4.240 118 H TYR 18 H TYR 18 1.790 1.900 2.721 119 HA TYR 18 HA TYR 18 1.998 0.790 -0.003 120 HB2 TYR 18 1HB TYR 18 0.192 0.014 2.277 121 HB3 TYR 18 2HB TYR 18 -0.260 -0.315 0.611 122 HD1 TYR 18 1HD TYR 18 1.357 -1.750 -0.784 123 HD2 TYR 18 2HD TYR 18 1.548 -1.473 3.458 124 HE1 TYR 18 1HE TYR 18 2.609 -3.869 -0.704 125 HE2 TYR 18 2HE TYR 18 2.806 -3.587 3.545 126 HH TYR 18 HH TYR 18 2.872 -5.773 1.475 127 H CYS 19 H CYS 19 1.291 2.333 -1.389 128 HA CYS 19 HA CYS 19 -0.658 4.301 -0.563 129 HB2 CYS 19 1HB CYS 19 -0.449 4.515 -3.318 130 HB3 CYS 19 2HB CYS 19 0.493 5.422 -2.141 131 H CYS 20 H CYS 20 -2.769 3.865 -0.491 132 HA CYS 20 HA CYS 20 -3.753 1.607 -2.109 133 HB2 CYS 20 1HB CYS 20 -4.014 2.255 0.684 134 HB3 CYS 20 2HB CYS 20 -5.605 2.146 -0.064 135 H GLN 21 H GLN 21 -5.677 1.710 -3.171 136 HA GLN 21 HA GLN 21 -7.027 4.327 -3.248 137 HB2 GLN 21 1HB GLN 21 -7.832 3.300 -5.572 138 HB3 GLN 21 2HB GLN 21 -6.334 4.208 -5.430 139 HG2 GLN 21 1HG GLN 21 -6.063 1.332 -4.941 140 HG3 GLN 21 2HG GLN 21 -6.574 1.759 -6.572 141 HE21 GLN 21 1HE2 GLN 21 -3.971 1.341 -4.541 142 HE22 GLN 21 2HE2 GLN 21 -2.760 2.139 -5.483 143 H SER 22 H SER 22 -9.233 3.177 -4.827 144 HA SER 22 HA SER 22 -10.415 1.419 -2.789 145 HB2 SER 22 1HB SER 22 -12.497 2.894 -3.991 146 HB3 SER 22 2HB SER 22 -11.900 3.036 -2.337 147 HG SER 22 HG SER 22 -11.316 4.964 -2.915 148 H MET 23 H MET 23 -11.456 -0.352 -3.535 149 HA MET 23 HA MET 23 -11.596 -0.740 -6.433 150 HB2 MET 23 1HB MET 23 -11.959 -2.670 -4.130 151 HB3 MET 23 2HB MET 23 -12.166 -3.109 -5.820 152 HG2 MET 23 1HG MET 23 -9.612 -1.927 -4.792 153 HG3 MET 23 2HG MET 23 -9.946 -3.655 -4.710 154 HE1 MET 23 3HE MET 23 -7.636 -1.618 -6.592 155 HE2 MET 23 1HE MET 23 -8.354 -1.298 -8.170 156 HE3 MET 23 2HE MET 23 -9.082 -0.614 -6.716 157 H SER 24 H SER 24 -13.489 -0.898 -7.537 158 HA SER 24 HA SER 24 -15.796 0.216 -6.265 159 HB2 SER 24 1HB SER 24 -16.203 -0.851 -8.952 160 HB3 SER 24 2HB SER 24 -16.335 0.810 -8.368 161 HG SER 24 HG SER 24 -14.636 0.737 -9.811 162 H GLY 25 H GLY 25 -15.355 -2.826 -8.116 163 HA2 GLY 25 1HA GLY 25 -17.845 -3.822 -6.958 164 HA3 GLY 25 2HA GLY 25 -16.935 -4.562 -8.266 165 H SER 26 H SER 26 -14.404 -4.572 -6.946 166 HA SER 26 HA SER 26 -14.707 -6.982 -5.428 167 HB2 SER 26 1HB SER 26 -12.075 -5.720 -5.306 168 HB3 SER 26 2HB SER 26 -12.543 -7.288 -5.966 169 HG SER 26 HG SER 26 -11.889 -6.142 -7.708 170 H ALA 27 H ALA 27 -14.539 -7.286 -3.264 171 HA ALA 27 HA ALA 27 -14.848 -4.950 -1.590 172 HB1 ALA 27 1HB ALA 27 -14.736 -7.126 0.098 173 HB2 ALA 27 2HB ALA 27 -16.196 -6.425 -0.597 174 HB3 ALA 27 3HB ALA 27 -15.414 -7.797 -1.384 175 H SER 28 H SER 28 -12.628 -4.227 -2.187 176 HA SER 28 HA SER 28 -10.835 -4.786 -0.023 177 HB2 SER 28 1HB SER 28 -10.084 -5.603 -2.840 178 HB3 SER 28 2HB SER 28 -8.894 -5.334 -1.566 179 HG SER 28 HG SER 28 -10.958 -6.961 -0.793 180 H LEU 29 H LEU 29 -8.632 -3.514 -0.614 181 HA LEU 29 HA LEU 29 -9.574 -0.845 -1.364 182 HB2 LEU 29 1HB LEU 29 -7.393 -1.903 0.357 183 HB3 LEU 29 2HB LEU 29 -7.139 -0.350 -0.411 184 HG LEU 29 HG LEU 29 -7.994 0.242 1.664 185 HD11 LEU 29 1HD1 LEU 29 -10.396 0.029 -0.143 186 HD12 LEU 29 2HD1 LEU 29 -10.303 1.015 1.316 187 HD13 LEU 29 3HD1 LEU 29 -9.255 1.373 -0.057 188 HD21 LEU 29 3HD2 LEU 29 -8.542 -1.986 2.447 189 HD22 LEU 29 1HD2 LEU 29 -9.883 -0.884 2.755 190 HD23 LEU 29 2HD2 LEU 29 -9.970 -2.023 1.411 191 H GLY 30 H GLY 30 -6.460 -2.546 -1.689 192 HA2 GLY 30 1HA GLY 30 -5.469 -2.984 -3.858 193 HA3 GLY 30 2HA GLY 30 -6.336 -1.582 -4.473 194 H CYS 31 H CYS 31 -3.509 -2.710 -2.886 195 HA CYS 31 HA CYS 31 -2.606 0.053 -2.404 196 HB2 CYS 31 1HB CYS 31 -2.490 -2.399 -0.800 197 HB3 CYS 31 2HB CYS 31 -0.943 -1.571 -0.924 198 H VAL 32 H VAL 32 -0.473 0.595 -2.937 199 HA VAL 32 HA VAL 32 1.051 -1.442 -4.431 200 HB VAL 32 HB VAL 32 1.629 1.463 -4.833 201 HG11 VAL 32 1HG1 VAL 32 3.158 0.267 -6.014 202 HG12 VAL 32 2HG1 VAL 32 2.078 -1.109 -6.238 203 HG13 VAL 32 3HG1 VAL 32 1.886 0.337 -7.233 204 HG21 VAL 32 3HG2 VAL 32 -0.067 1.855 -6.355 205 HG22 VAL 32 1HG2 VAL 32 -0.401 0.139 -6.587 206 HG23 VAL 32 2HG2 VAL 32 -0.906 0.944 -5.101 207 H VAL 33 H VAL 33 3.177 -1.737 -3.836 208 HA VAL 33 HA VAL 33 3.822 -0.795 -1.199 209 HB VAL 33 HB VAL 33 4.283 -3.126 -1.839 210 HG11 VAL 33 1HG1 VAL 33 5.588 -1.882 -4.082 211 HG12 VAL 33 2HG1 VAL 33 6.680 -2.987 -3.249 212 HG13 VAL 33 3HG1 VAL 33 5.124 -3.566 -3.841 213 HG21 VAL 33 3HG2 VAL 33 6.816 -3.051 -1.180 214 HG22 VAL 33 1HG2 VAL 33 6.480 -1.340 -0.915 215 HG23 VAL 33 2HG2 VAL 33 5.572 -2.565 -0.028 216 H GLY 34 H GLY 34 5.217 0.753 -0.630 217 HA2 GLY 34 1HA GLY 34 6.217 2.619 -2.496 218 HA3 GLY 34 2HA GLY 34 6.684 2.505 -0.805 219 H VAL 35 H VAL 35 7.850 2.429 -3.841 220 HA VAL 35 HA VAL 35 9.795 0.292 -3.467 221 HB VAL 35 HB VAL 35 10.017 2.117 -5.794 222 HG11 VAL 35 1HG1 VAL 35 10.926 -0.435 -5.072 223 HG12 VAL 35 2HG1 VAL 35 9.781 -0.680 -6.389 224 HG13 VAL 35 3HG1 VAL 35 11.158 0.399 -6.610 225 HG21 VAL 35 3HG2 VAL 35 8.143 1.213 -6.977 226 HG22 VAL 35 1HG2 VAL 35 7.758 0.127 -5.641 227 HG23 VAL 35 2HG2 VAL 35 7.558 1.870 -5.447 228 H ILE 36 H ILE 36 9.540 3.321 -2.397 229 HA ILE 36 HA ILE 36 10.990 4.780 -1.419 230 HB ILE 36 HB ILE 36 13.161 2.950 -2.466 231 HG12 ILE 36 2HG1 ILE 36 12.382 3.416 0.405 232 HG13 ILE 36 1HG1 ILE 36 11.544 2.219 -0.581 233 HG21 ILE 36 1HG2 ILE 36 13.803 5.392 -2.191 234 HG22 ILE 36 2HG2 ILE 36 13.520 5.161 -0.466 235 HG23 ILE 36 3HG2 ILE 36 14.763 4.219 -1.289 236 HD11 ILE 36 3HD1 ILE 36 13.848 1.238 -1.038 237 HD12 ILE 36 1HD1 ILE 36 14.413 2.255 0.289 238 HD13 ILE 36 2HD1 ILE 36 13.180 1.027 0.580 239 H GLY 37 H GLY 37 10.964 6.709 -2.318 240 HA2 GLY 37 1HA GLY 37 11.579 8.411 -3.796 241 HA3 GLY 37 2HA GLY 37 12.390 7.214 -4.802 242 H SER 38 H SER 38 9.187 6.579 -3.733 243 HA SER 38 HA SER 38 8.294 6.807 -6.520 244 HB2 SER 38 1HB SER 38 6.636 5.250 -4.658 245 HB3 SER 38 2HB SER 38 7.236 4.826 -6.263 246 HG SER 38 HG SER 38 9.365 4.666 -5.073 247 H GLN 39 H GLN 39 6.707 8.153 -7.043 248 HA GLN 39 HA GLN 39 5.445 9.744 -4.968 249 HB2 GLN 39 1HB GLN 39 6.153 10.115 -7.719 250 HB3 GLN 39 2HB GLN 39 4.427 10.394 -7.537 251 HG2 GLN 39 1HG GLN 39 4.726 12.312 -6.433 252 HG3 GLN 39 2HG GLN 39 6.060 11.667 -5.476 253 HE21 GLN 39 1HE2 GLN 39 7.444 13.356 -5.703 254 HE22 GLN 39 2HE2 GLN 39 8.133 13.837 -7.218 255 H CYS 40 H CYS 40 3.977 8.369 -3.985 256 HA CYS 40 HA CYS 40 2.049 6.888 -5.546 257 HB2 CYS 40 1HB CYS 40 2.321 7.381 -2.570 258 HB3 CYS 40 2HB CYS 40 1.017 6.433 -3.275 259 H GLY 41 H GLY 41 0.346 7.821 -6.461 260 HA2 GLY 41 1HA GLY 41 -0.587 10.419 -5.611 261 HA3 GLY 41 2HA GLY 41 -1.256 9.441 -6.913 262 H ALA 42 H ALA 42 -1.478 7.096 -5.173 263 HA ALA 42 HA ALA 42 -4.044 7.663 -3.992 264 HB1 ALA 42 1HB ALA 42 -3.714 5.172 -3.262 265 HB2 ALA 42 2HB ALA 42 -4.018 5.564 -4.955 266 HB3 ALA 42 3HB ALA 42 -2.376 5.220 -4.410 267 H SER 43 H SER 43 -4.565 7.229 -1.749 268 HA SER 43 HA SER 43 -2.887 8.603 0.011 269 HB2 SER 43 1HB SER 43 -4.820 6.720 1.212 270 HB3 SER 43 2HB SER 43 -4.648 8.461 1.438 271 HG SER 43 HG SER 43 -6.324 8.590 0.183 272 H VAL 44 H VAL 44 -1.140 8.005 1.083 273 HA VAL 44 HA VAL 44 -0.186 5.304 0.967 274 HB VAL 44 HB VAL 44 1.028 7.479 2.658 275 HG11 VAL 44 1HG1 VAL 44 1.896 4.881 1.523 276 HG12 VAL 44 2HG1 VAL 44 3.094 6.174 1.585 277 HG13 VAL 44 3HG1 VAL 44 2.299 5.635 3.065 278 HG21 VAL 44 3HG2 VAL 44 2.354 7.452 0.194 279 HG22 VAL 44 1HG2 VAL 44 0.634 7.515 -0.196 280 HG23 VAL 44 2HG2 VAL 44 1.346 8.742 0.853 281 H LYS 45 H LYS 45 -0.646 3.750 2.339 282 HA LYS 45 HA LYS 45 -1.470 4.453 5.081 283 HB2 LYS 45 1HB LYS 45 -2.173 1.840 3.787 284 HB3 LYS 45 2HB LYS 45 -2.980 2.674 5.107 285 HG2 LYS 45 1HG LYS 45 -2.982 4.062 2.501 286 HG3 LYS 45 2HG LYS 45 -3.935 2.581 2.604 287 HD2 LYS 45 1HD LYS 45 -4.146 4.798 4.625 288 HD3 LYS 45 2HD LYS 45 -5.139 4.739 3.168 289 HE2 LYS 45 2HE LYS 45 -6.470 3.151 4.008 290 HE3 LYS 45 1HE LYS 45 -5.109 2.226 4.642 291 HZ1 LYS 45 3HZ LYS 45 -6.863 3.385 6.209 292 HZ2 LYS 45 1HZ LYS 45 -5.812 4.704 6.021 293 HZ3 LYS 45 2HZ LYS 45 -5.226 3.239 6.650 294 H CYS 46 H CYS 46 -0.778 3.055 6.764 295 HA CYS 46 HA CYS 46 1.690 1.602 6.108 296 HB2 CYS 46 1HB CYS 46 0.828 2.219 8.912 297 HB3 CYS 46 2HB CYS 46 2.456 2.011 8.272 298 H CYS 47 H CYS 47 1.045 -0.376 5.506 299 HA CYS 47 HA CYS 47 -0.799 -1.842 7.269 300 HB2 CYS 47 1HB CYS 47 -0.007 -2.500 4.422 301 HB3 CYS 47 2HB CYS 47 -1.263 -3.284 5.374 302 H LYS 48 H LYS 48 -0.307 -4.033 7.804 303 HA LYS 48 HA LYS 48 2.538 -4.602 7.988 304 HB2 LYS 48 1HB LYS 48 0.157 -5.350 9.426 305 HB3 LYS 48 2HB LYS 48 1.026 -6.795 8.924 306 HG2 LYS 48 1HG LYS 48 3.046 -5.242 9.890 307 HG3 LYS 48 2HG LYS 48 1.704 -4.798 10.949 308 HD2 LYS 48 1HD LYS 48 1.311 -7.284 11.262 309 HD3 LYS 48 2HD LYS 48 2.865 -7.536 10.465 310 HE2 LYS 48 2HE LYS 48 4.060 -6.631 12.208 311 HE3 LYS 48 1HE LYS 48 2.713 -5.636 12.753 312 HZ1 LYS 48 3HZ LYS 48 3.177 -8.514 13.221 313 HZ2 LYS 48 1HZ LYS 48 1.627 -7.839 13.374 314 HZ3 LYS 48 2HZ LYS 48 2.894 -7.287 14.353 315 H ASP 49 H ASP 49 -0.316 -5.649 6.330 316 HA ASP 49 HA ASP 49 -0.762 -7.082 4.656 317 HB2 ASP 49 1HB ASP 49 1.097 -5.556 3.675 318 HB3 ASP 49 2HB ASP 49 2.135 -6.968 3.840 319 H ASP 50 H ASP 50 0.969 -8.986 3.408 320 HA ASP 50 HA ASP 50 1.894 -10.752 5.537 321 HB2 ASP 50 1HB ASP 50 -0.603 -11.214 4.747 322 HB3 ASP 50 2HB ASP 50 0.211 -11.986 3.389 323 H VAL 51 H VAL 51 3.637 -9.503 4.259 324 HA VAL 51 HA VAL 51 4.225 -10.034 1.592 325 HB VAL 51 HB VAL 51 6.680 -9.525 2.450 326 HG11 VAL 51 1HG1 VAL 51 6.300 -7.451 1.677 327 HG12 VAL 51 2HG1 VAL 51 4.699 -8.086 1.301 328 HG13 VAL 51 3HG1 VAL 51 4.958 -7.171 2.786 329 HG21 VAL 51 3HG2 VAL 51 6.075 -9.830 4.837 330 HG22 VAL 51 1HG2 VAL 51 6.728 -8.230 4.487 331 HG23 VAL 51 2HG2 VAL 51 4.992 -8.445 4.708 332 H THR 52 H THR 52 4.904 -11.786 0.596 333 HA THR 52 HA THR 52 6.007 -14.002 2.148 334 HB THR 52 HB THR 52 5.638 -14.554 -0.672 335 HG1 THR 52 1HG THR 52 3.187 -14.027 0.617 336 HG21 THR 52 3HG2 THR 52 5.661 -16.411 0.704 337 HG22 THR 52 1HG2 THR 52 3.929 -16.174 0.471 338 HG23 THR 52 2HG2 THR 52 4.701 -15.621 1.956 339 H ASN 53 H ASN 53 6.785 -11.738 -0.412 340 HA ASN 53 HA ASN 53 9.598 -12.237 -0.039 341 HB2 ASN 53 1HB ASN 53 8.870 -13.978 -1.726 342 HB3 ASN 53 2HB ASN 53 8.474 -12.655 -2.816 343 HD21 ASN 53 1HD2 ASN 53 10.115 -14.148 -3.971 344 HD22 ASN 53 2HD2 ASN 53 11.769 -13.630 -3.881 345 H THR 54 H THR 54 8.432 -11.036 -3.090 346 HA THR 54 HA THR 54 9.293 -8.347 -2.315 347 HB THR 54 HB THR 54 8.718 -8.361 -5.052 348 HG1 THR 54 1HG THR 54 10.315 -10.299 -5.423 349 HG21 THR 54 3HG2 THR 54 11.482 -8.913 -4.601 350 HG22 THR 54 1HG2 THR 54 10.887 -7.873 -3.307 351 HG23 THR 54 2HG2 THR 54 10.712 -7.375 -4.991 352 H GLY 55 H GLY 55 6.547 -10.146 -3.562 353 HA2 GLY 55 1HA GLY 55 4.310 -9.416 -3.090 354 HA3 GLY 55 2HA GLY 55 4.887 -7.756 -3.121 355 H ASN 56 H ASN 56 3.641 -6.893 -4.685 356 HA ASN 56 HA ASN 56 4.066 -7.804 -7.406 357 HB2 ASN 56 1HB ASN 56 2.118 -9.127 -6.572 358 HB3 ASN 56 2HB ASN 56 1.271 -7.622 -6.244 359 HD21 ASN 56 1HD2 ASN 56 3.292 -8.433 -9.044 360 HD22 ASN 56 2HD2 ASN 56 2.008 -8.293 -10.211 361 H SER 57 H SER 57 2.827 -6.263 -8.945 362 HA SER 57 HA SER 57 3.594 -3.601 -8.228 363 HB2 SER 57 1HB SER 57 2.176 -3.485 -10.627 364 HB3 SER 57 2HB SER 57 3.922 -3.677 -10.459 365 HG SER 57 HG SER 57 2.146 -5.426 -11.423 366 H PHE 58 H PHE 58 0.768 -5.447 -7.930 367 HA PHE 58 HA PHE 58 -0.624 -3.125 -6.894 368 HB2 PHE 58 1HB PHE 58 -1.244 -3.928 -9.440 369 HB3 PHE 58 2HB PHE 58 -2.407 -4.843 -8.484 370 HD1 PHE 58 1HD PHE 58 -1.217 -1.461 -9.323 371 HD2 PHE 58 2HD PHE 58 -4.226 -3.781 -7.417 372 HE1 PHE 58 1HE PHE 58 -2.631 0.543 -9.132 373 HE2 PHE 58 2HE PHE 58 -5.650 -1.787 -7.221 374 HZ PHE 58 HZ PHE 58 -4.853 0.381 -8.081 375 H LEU 59 H LEU 59 -0.520 -3.914 -4.862 376 HA LEU 59 HA LEU 59 -1.375 -6.644 -4.309 377 HB2 LEU 59 1HB LEU 59 -0.442 -4.521 -2.376 378 HB3 LEU 59 2HB LEU 59 -0.622 -6.232 -2.044 379 HG LEU 59 HG LEU 59 1.153 -6.171 -4.172 380 HD11 LEU 59 1HD1 LEU 59 1.265 -3.651 -2.740 381 HD12 LEU 59 2HD1 LEU 59 2.796 -4.525 -2.682 382 HD13 LEU 59 3HD1 LEU 59 2.059 -4.137 -4.237 383 HD21 LEU 59 3HD2 LEU 59 1.524 -6.422 -1.198 384 HD22 LEU 59 1HD2 LEU 59 1.412 -7.707 -2.402 385 HD23 LEU 59 2HD2 LEU 59 2.840 -6.673 -2.345 386 H ILE 60 H ILE 60 -3.570 -6.605 -4.675 387 HA ILE 60 HA ILE 60 -5.230 -4.562 -3.518 388 HB ILE 60 HB ILE 60 -6.048 -7.153 -4.848 389 HG12 ILE 60 2HG1 ILE 60 -6.610 -4.920 -6.479 390 HG13 ILE 60 1HG1 ILE 60 -4.953 -4.711 -5.919 391 HG21 ILE 60 1HG2 ILE 60 -7.987 -5.128 -5.168 392 HG22 ILE 60 2HG2 ILE 60 -8.127 -6.637 -4.267 393 HG23 ILE 60 3HG2 ILE 60 -7.565 -5.176 -3.456 394 HD11 ILE 60 3HD1 ILE 60 -4.454 -6.996 -6.739 395 HD12 ILE 60 1HD1 ILE 60 -6.085 -7.073 -7.401 396 HD13 ILE 60 2HD1 ILE 60 -4.942 -5.874 -8.009 397 H ILE 61 H ILE 61 -4.574 -4.826 -1.326 398 HA ILE 61 HA ILE 61 -5.602 -7.215 0.023 399 HB ILE 61 HB ILE 61 -4.485 -5.469 1.933 400 HG12 ILE 61 2HG1 ILE 61 -2.182 -5.975 0.241 401 HG13 ILE 61 1HG1 ILE 61 -3.321 -4.880 -0.535 402 HG21 ILE 61 1HG2 ILE 61 -2.704 -7.329 1.951 403 HG22 ILE 61 2HG2 ILE 61 -4.378 -7.745 2.325 404 HG23 ILE 61 3HG2 ILE 61 -3.718 -8.092 0.726 405 HD11 ILE 61 3HD1 ILE 61 -3.275 -3.672 1.778 406 HD12 ILE 61 1HD1 ILE 61 -1.739 -4.520 1.952 407 HD13 ILE 61 2HD1 ILE 61 -1.986 -3.415 0.601 408 H ASN 62 H ASN 62 -6.097 -6.218 2.503 409 HA ASN 62 HA ASN 62 -8.237 -4.249 2.112 410 HB2 ASN 62 1HB ASN 62 -8.728 -6.916 2.533 411 HB3 ASN 62 2HB ASN 62 -8.769 -6.275 4.173 412 HD21 ASN 62 1HD2 ASN 62 -10.713 -7.123 1.817 413 HD22 ASN 62 2HD2 ASN 62 -11.983 -5.951 1.985 414 H ALA 63 H ALA 63 -8.988 -3.365 4.264 415 HA ALA 63 HA ALA 63 -6.639 -2.363 5.594 416 HB1 ALA 63 1HB ALA 63 -9.251 -1.606 6.686 417 HB2 ALA 63 2HB ALA 63 -7.906 -0.600 6.147 418 HB3 ALA 63 3HB ALA 63 -9.036 -1.267 4.970 419 H ALA 64 H ALA 64 -7.496 -5.205 6.022 420 HA ALA 64 HA ALA 64 -8.397 -5.341 8.752 421 HB1 ALA 64 1HB ALA 64 -7.495 -7.427 6.782 422 HB2 ALA 64 2HB ALA 64 -7.936 -7.807 8.447 423 HB3 ALA 64 3HB ALA 64 -9.129 -7.104 7.357 424 H ASN 65 H ASN 65 -5.365 -5.342 7.066 425 HA ASN 65 HA ASN 65 -3.980 -5.904 9.601 426 HB2 ASN 65 1HB ASN 65 -2.071 -6.643 8.314 427 HB3 ASN 65 2HB ASN 65 -3.503 -7.508 7.769 428 HD21 ASN 65 1HD2 ASN 65 -3.770 -7.644 5.656 429 HD22 ASN 65 2HD2 ASN 65 -3.070 -6.574 4.483 430 H CYS 66 H CYS 66 -4.782 -3.482 7.471 431 HA CYS 66 HA CYS 66 -2.451 -1.836 7.857 432 HB2 CYS 66 1HB CYS 66 -5.179 -1.061 6.803 433 HB3 CYS 66 2HB CYS 66 -3.691 -0.132 6.641 434 H VAL 67 H VAL 67 -2.075 -1.187 9.883 435 HA VAL 67 HA VAL 67 -4.219 -0.463 11.673 436 HB VAL 67 HB VAL 67 -1.843 -1.533 12.200 437 HG11 VAL 67 1HG1 VAL 67 -1.343 1.430 12.384 438 HG12 VAL 67 2HG1 VAL 67 -0.386 0.229 13.252 439 HG13 VAL 67 3HG1 VAL 67 -0.417 0.223 11.488 440 HG21 VAL 67 3HG2 VAL 67 -3.897 -0.771 13.688 441 HG22 VAL 67 1HG2 VAL 67 -2.367 -1.288 14.401 442 HG23 VAL 67 2HG2 VAL 67 -2.730 0.430 14.239 443 H ALA 68 H ALA 68 -2.376 1.085 9.306 444 HA ALA 68 HA ALA 68 -3.423 3.676 10.151 445 HB1 ALA 68 1HB ALA 68 -0.981 4.395 9.140 446 HB2 ALA 68 2HB ALA 68 -1.393 4.308 10.852 447 HB3 ALA 68 3HB ALA 68 -0.594 2.945 10.068 Start of MODEL 14 1 H1 SER 1 1H SER 1 -2.435 14.711 -3.048 2 H2 SER 1 2H SER 1 -3.562 15.823 -3.658 3 H3 SER 1 3H SER 1 -1.934 15.938 -4.104 4 HA SER 1 HA SER 1 -3.924 13.925 -4.907 5 HB2 SER 1 1HB SER 1 -2.209 14.834 -6.996 6 HB3 SER 1 2HB SER 1 -3.934 15.143 -6.789 7 HG SER 1 HG SER 1 -3.122 17.137 -6.699 8 H ALA 2 H ALA 2 -0.449 14.670 -4.967 9 HA ALA 2 HA ALA 2 0.078 11.772 -5.009 10 HB1 ALA 2 1HB ALA 2 2.126 13.481 -6.254 11 HB2 ALA 2 2HB ALA 2 1.508 11.906 -6.750 12 HB3 ALA 2 3HB ALA 2 0.606 13.370 -7.142 13 H THR 3 H THR 3 1.724 11.074 -3.677 14 HA THR 3 HA THR 3 3.075 13.147 -2.082 15 HB THR 3 HB THR 3 2.671 10.686 -0.604 16 HG1 THR 3 1HG THR 3 0.553 11.670 -2.002 17 HG21 THR 3 3HG2 THR 3 1.835 12.284 1.097 18 HG22 THR 3 1HG2 THR 3 1.937 13.573 -0.105 19 HG23 THR 3 2HG2 THR 3 3.403 12.752 0.433 20 H THR 4 H THR 4 5.185 12.887 -1.802 21 HA THR 4 HA THR 4 6.481 10.632 -3.102 22 HB THR 4 HB THR 4 8.099 12.704 -1.728 23 HG1 THR 4 1HG THR 4 6.484 14.019 -2.590 24 HG21 THR 4 3HG2 THR 4 9.287 11.126 -3.027 25 HG22 THR 4 1HG2 THR 4 9.262 12.606 -3.982 26 HG23 THR 4 2HG2 THR 4 8.167 11.282 -4.381 27 H ILE 5 H ILE 5 6.699 8.856 -1.926 28 HA ILE 5 HA ILE 5 7.046 9.057 0.965 29 HB ILE 5 HB ILE 5 6.408 6.830 1.151 30 HG12 ILE 5 2HG1 ILE 5 6.428 6.017 -1.672 31 HG13 ILE 5 1HG1 ILE 5 8.027 6.346 -1.013 32 HG21 ILE 5 1HG2 ILE 5 4.888 7.402 -1.350 33 HG22 ILE 5 2HG2 ILE 5 4.323 6.739 0.184 34 HG23 ILE 5 3HG2 ILE 5 4.701 8.456 0.052 35 HD11 ILE 5 3HD1 ILE 5 6.557 4.005 -0.775 36 HD12 ILE 5 1HD1 ILE 5 8.040 4.427 0.083 37 HD13 ILE 5 2HD1 ILE 5 6.470 4.761 0.817 38 H GLY 6 H GLY 6 8.783 8.083 2.070 39 HA2 GLY 6 1HA GLY 6 11.173 7.756 0.368 40 HA3 GLY 6 2HA GLY 6 11.202 8.529 1.945 41 HA PRO 7 HA PRO 7 12.424 4.223 2.790 42 HB2 PRO 7 1HB PRO 7 14.313 4.775 4.610 43 HB3 PRO 7 2HB PRO 7 14.610 4.981 2.879 44 HG2 PRO 7 1HG PRO 7 13.940 7.039 4.945 45 HG3 PRO 7 2HG PRO 7 15.121 7.122 3.626 46 HD2 PRO 7 1HD PRO 7 12.611 8.238 3.530 47 HD3 PRO 7 2HD PRO 7 13.544 7.753 2.100 48 H ASN 8 H ASN 8 11.341 6.777 4.903 49 HA ASN 8 HA ASN 8 10.536 4.757 6.883 50 HB2 ASN 8 1HB ASN 8 10.858 6.648 8.605 51 HB3 ASN 8 2HB ASN 8 12.289 5.820 8.003 52 HD21 ASN 8 1HD2 ASN 8 13.892 7.171 7.744 53 HD22 ASN 8 2HD2 ASN 8 13.782 8.795 7.140 54 H THR 9 H THR 9 8.879 5.584 4.834 55 HA THR 9 HA THR 9 7.074 7.597 5.807 56 HB THR 9 HB THR 9 5.909 5.802 3.850 57 HG1 THR 9 1HG THR 9 7.501 5.674 2.426 58 HG21 THR 9 3HG2 THR 9 5.741 7.885 2.559 59 HG22 THR 9 1HG2 THR 9 6.788 8.693 3.725 60 HG23 THR 9 2HG2 THR 9 5.197 8.113 4.220 61 H CYS 10 H CYS 10 7.717 4.640 6.923 62 HA CYS 10 HA CYS 10 5.070 4.378 8.117 63 HB2 CYS 10 1HB CYS 10 5.522 2.770 6.081 64 HB3 CYS 10 2HB CYS 10 6.480 1.879 7.261 65 H SER 11 H SER 11 6.384 5.425 9.802 66 HA SER 11 HA SER 11 8.468 3.868 11.046 67 HB2 SER 11 1HB SER 11 7.505 6.053 12.671 68 HB3 SER 11 2HB SER 11 9.073 5.858 11.886 69 HG SER 11 HG SER 11 6.748 7.147 10.965 70 H ILE 12 H ILE 12 6.376 2.242 11.043 71 HA ILE 12 HA ILE 12 5.550 2.177 13.858 72 HB ILE 12 HB ILE 12 3.706 1.559 11.541 73 HG12 ILE 12 2HG1 ILE 12 2.875 3.579 13.487 74 HG13 ILE 12 1HG1 ILE 12 4.323 4.037 12.600 75 HG21 ILE 12 1HG2 ILE 12 3.264 1.426 14.520 76 HG22 ILE 12 2HG2 ILE 12 1.990 1.280 13.308 77 HG23 ILE 12 3HG2 ILE 12 3.276 0.074 13.386 78 HD11 ILE 12 3HD1 ILE 12 3.058 3.515 10.493 79 HD12 ILE 12 1HD1 ILE 12 1.615 3.383 11.497 80 HD13 ILE 12 2HD1 ILE 12 2.491 4.911 11.409 81 H ASP 13 H ASP 13 7.017 0.605 14.352 82 HA ASP 13 HA ASP 13 7.772 -1.514 14.680 83 HB2 ASP 13 1HB ASP 13 5.080 -1.683 14.757 84 HB3 ASP 13 2HB ASP 13 5.405 -2.782 13.422 85 H ASP 14 H ASP 14 6.518 -3.648 12.693 86 HA ASP 14 HA ASP 14 8.499 -3.168 10.570 87 HB2 ASP 14 1HB ASP 14 8.798 -5.236 11.982 88 HB3 ASP 14 2HB ASP 14 7.267 -5.820 11.339 89 H TYR 15 H TYR 15 6.353 -1.748 10.174 90 HA TYR 15 HA TYR 15 4.674 -3.263 8.302 91 HB2 TYR 15 1HB TYR 15 4.261 -0.707 9.822 92 HB3 TYR 15 2HB TYR 15 3.347 -1.009 8.349 93 HD1 TYR 15 1HD TYR 15 4.035 -2.292 11.750 94 HD2 TYR 15 2HD TYR 15 1.497 -2.487 8.344 95 HE1 TYR 15 1HE TYR 15 2.425 -3.634 13.035 96 HE2 TYR 15 2HE TYR 15 -0.123 -3.827 9.619 97 HH TYR 15 HH TYR 15 -0.329 -5.155 11.510 98 H LYS 16 H LYS 16 4.154 -2.133 6.238 99 HA LYS 16 HA LYS 16 6.594 -0.798 5.266 100 HB2 LYS 16 1HB LYS 16 4.735 -2.637 3.741 101 HB3 LYS 16 2HB LYS 16 6.183 -1.874 3.102 102 HG2 LYS 16 1HG LYS 16 7.269 -3.721 3.676 103 HG3 LYS 16 2HG LYS 16 7.079 -3.210 5.354 104 HD2 LYS 16 1HD LYS 16 4.652 -4.382 4.769 105 HD3 LYS 16 2HD LYS 16 5.811 -5.398 3.910 106 HE2 LYS 16 2HE LYS 16 6.400 -4.619 6.721 107 HE3 LYS 16 1HE LYS 16 5.184 -5.863 6.428 108 HZ1 LYS 16 3HZ LYS 16 6.926 -7.241 6.390 109 HZ2 LYS 16 1HZ LYS 16 8.053 -5.989 6.170 110 HZ3 LYS 16 2HZ LYS 16 7.226 -6.634 4.834 111 HA PRO 17 HA PRO 17 3.963 2.476 3.860 112 HB2 PRO 17 1HB PRO 17 5.860 3.251 1.836 113 HB3 PRO 17 2HB PRO 17 5.573 4.000 3.406 114 HG2 PRO 17 1HG PRO 17 7.877 2.665 2.727 115 HG3 PRO 17 2HG PRO 17 7.304 2.887 4.389 116 HD2 PRO 17 1HD PRO 17 7.081 0.494 2.607 117 HD3 PRO 17 2HD PRO 17 7.392 0.577 4.356 118 H TYR 18 H TYR 18 2.222 1.913 2.735 119 HA TYR 18 HA TYR 18 2.601 0.755 0.056 120 HB2 TYR 18 1HB TYR 18 0.663 0.198 2.260 121 HB3 TYR 18 2HB TYR 18 0.131 -0.025 0.597 122 HD1 TYR 18 2HD TYR 18 1.467 -1.597 -0.889 123 HD2 TYR 18 1HD TYR 18 1.966 -1.424 3.327 124 HE1 TYR 18 2HE TYR 18 2.528 -3.815 -0.933 125 HE2 TYR 18 1HE TYR 18 3.029 -3.641 3.301 126 HH TYR 18 HH TYR 18 2.889 -5.736 1.646 127 H CYS 19 H CYS 19 1.583 1.670 -1.644 128 HA CYS 19 HA CYS 19 0.048 4.116 -1.100 129 HB2 CYS 19 1HB CYS 19 1.168 3.332 -3.785 130 HB3 CYS 19 2HB CYS 19 0.741 4.939 -3.201 131 H CYS 20 H CYS 20 -1.938 3.158 -0.689 132 HA CYS 20 HA CYS 20 -2.970 1.238 -2.635 133 HB2 CYS 20 1HB CYS 20 -4.323 2.012 -0.063 134 HB3 CYS 20 2HB CYS 20 -4.462 0.509 -0.972 135 H GLN 21 H GLN 21 -4.599 1.614 -3.968 136 HA GLN 21 HA GLN 21 -5.778 4.215 -4.192 137 HB2 GLN 21 1HB GLN 21 -6.356 1.564 -5.525 138 HB3 GLN 21 2HB GLN 21 -7.265 3.026 -5.878 139 HG2 GLN 21 1HG GLN 21 -4.333 3.235 -6.075 140 HG3 GLN 21 2HG GLN 21 -5.136 2.226 -7.278 141 HE21 GLN 21 1HE2 GLN 21 -6.479 3.164 -8.788 142 HE22 GLN 21 2HE2 GLN 21 -6.569 4.885 -9.018 143 H SER 22 H SER 22 -7.209 4.892 -2.743 144 HA SER 22 HA SER 22 -8.900 2.940 -1.371 145 HB2 SER 22 1HB SER 22 -8.917 5.865 -0.736 146 HB3 SER 22 2HB SER 22 -9.094 4.480 0.346 147 HG SER 22 HG SER 22 -6.698 4.320 -0.779 148 H MET 23 H MET 23 -10.406 2.437 -2.908 149 HA MET 23 HA MET 23 -11.838 4.510 -4.318 150 HB2 MET 23 1HB MET 23 -13.152 2.569 -5.236 151 HB3 MET 23 2HB MET 23 -11.425 2.521 -5.559 152 HG2 MET 23 1HG MET 23 -12.425 1.114 -3.152 153 HG3 MET 23 2HG MET 23 -12.768 0.407 -4.729 154 HE1 MET 23 3HE MET 23 -9.970 1.443 -6.296 155 HE2 MET 23 1HE MET 23 -9.182 -0.131 -6.187 156 HE3 MET 23 2HE MET 23 -10.911 -0.032 -6.526 157 H SER 24 H SER 24 -14.103 4.828 -4.215 158 HA SER 24 HA SER 24 -15.144 4.629 -1.514 159 HB2 SER 24 1HB SER 24 -16.473 5.891 -3.920 160 HB3 SER 24 2HB SER 24 -16.801 6.209 -2.216 161 HG SER 24 HG SER 24 -15.123 7.492 -2.111 162 H GLY 25 H GLY 25 -16.957 3.510 -0.903 163 HA2 GLY 25 1HA GLY 25 -18.752 2.047 -1.094 164 HA3 GLY 25 2HA GLY 25 -18.531 2.040 -2.841 165 H SER 26 H SER 26 -16.130 1.105 -3.309 166 HA SER 26 HA SER 26 -16.273 -1.638 -2.431 167 HB2 SER 26 1HB SER 26 -13.950 -1.143 -4.012 168 HB3 SER 26 2HB SER 26 -15.437 -1.966 -4.485 169 HG SER 26 HG SER 26 -15.553 -0.317 -5.819 170 H ALA 27 H ALA 27 -14.968 -2.620 -0.989 171 HA ALA 27 HA ALA 27 -12.837 -0.982 0.226 172 HB1 ALA 27 1HB ALA 27 -13.550 -3.070 1.987 173 HB2 ALA 27 2HB ALA 27 -13.830 -1.339 2.180 174 HB3 ALA 27 3HB ALA 27 -15.050 -2.350 1.405 175 H SER 28 H SER 28 -11.977 -2.173 -1.917 176 HA SER 28 HA SER 28 -10.963 -4.828 -1.287 177 HB2 SER 28 1HB SER 28 -9.993 -3.847 -3.790 178 HB3 SER 28 2HB SER 28 -11.170 -5.128 -3.496 179 HG SER 28 HG SER 28 -12.459 -3.761 -4.466 180 H LEU 29 H LEU 29 -9.931 -1.546 -1.310 181 HA LEU 29 HA LEU 29 -7.928 -0.503 -1.045 182 HB2 LEU 29 1HB LEU 29 -7.885 -2.857 0.699 183 HB3 LEU 29 2HB LEU 29 -6.289 -2.260 0.297 184 HG LEU 29 HG LEU 29 -6.535 -0.907 2.062 185 HD11 LEU 29 1HD1 LEU 29 -8.692 0.729 0.919 186 HD12 LEU 29 2HD1 LEU 29 -7.082 1.192 1.473 187 HD13 LEU 29 3HD1 LEU 29 -7.294 0.480 -0.128 188 HD21 LEU 29 3HD2 LEU 29 -8.866 -2.299 2.306 189 HD22 LEU 29 1HD2 LEU 29 -8.275 -1.099 3.455 190 HD23 LEU 29 2HD2 LEU 29 -9.443 -0.635 2.217 191 H GLY 30 H GLY 30 -7.734 -0.859 -3.425 192 HA2 GLY 30 1HA GLY 30 -5.970 -2.914 -4.383 193 HA3 GLY 30 2HA GLY 30 -6.578 -1.545 -5.309 194 H CYS 31 H CYS 31 -3.965 -2.804 -3.470 195 HA CYS 31 HA CYS 31 -2.726 -0.146 -3.310 196 HB2 CYS 31 1HB CYS 31 -3.253 -1.617 -1.249 197 HB3 CYS 31 2HB CYS 31 -1.829 -2.525 -1.738 198 H VAL 32 H VAL 32 -0.622 0.201 -3.834 199 HA VAL 32 HA VAL 32 0.834 -1.985 -5.173 200 HB VAL 32 HB VAL 32 1.596 0.850 -5.695 201 HG11 VAL 32 1HG1 VAL 32 2.598 0.003 -7.552 202 HG12 VAL 32 2HG1 VAL 32 2.586 -1.457 -6.566 203 HG13 VAL 32 3HG1 VAL 32 1.353 -1.220 -7.804 204 HG21 VAL 32 3HG2 VAL 32 -1.053 -0.125 -6.229 205 HG22 VAL 32 1HG2 VAL 32 -0.363 1.467 -6.547 206 HG23 VAL 32 2HG2 VAL 32 -0.206 0.183 -7.745 207 H VAL 33 H VAL 33 3.053 -2.171 -4.668 208 HA VAL 33 HA VAL 33 3.692 -1.464 -1.984 209 HB VAL 33 HB VAL 33 5.732 -2.468 -3.953 210 HG11 VAL 33 1HG1 VAL 33 6.969 -2.727 -2.126 211 HG12 VAL 33 2HG1 VAL 33 5.672 -2.023 -1.161 212 HG13 VAL 33 3HG1 VAL 33 5.734 -3.766 -1.415 213 HG21 VAL 33 3HG2 VAL 33 3.657 -3.793 -4.248 214 HG22 VAL 33 1HG2 VAL 33 4.999 -4.738 -3.602 215 HG23 VAL 33 2HG2 VAL 33 3.707 -4.195 -2.532 216 H GLY 34 H GLY 34 4.665 0.309 -1.237 217 HA2 GLY 34 1HA GLY 34 5.731 2.231 -3.156 218 HA3 GLY 34 2HA GLY 34 5.374 2.538 -1.463 219 H VAL 35 H VAL 35 7.819 2.451 -3.534 220 HA VAL 35 HA VAL 35 9.721 1.219 -1.667 221 HB VAL 35 HB VAL 35 10.820 2.192 -4.202 222 HG11 VAL 35 1HG1 VAL 35 11.023 -0.647 -3.660 223 HG12 VAL 35 2HG1 VAL 35 12.290 0.575 -3.792 224 HG13 VAL 35 3HG1 VAL 35 11.459 0.329 -2.256 225 HG21 VAL 35 3HG2 VAL 35 9.536 -0.274 -4.867 226 HG22 VAL 35 1HG2 VAL 35 8.317 0.904 -4.379 227 HG23 VAL 35 2HG2 VAL 35 9.439 1.285 -5.686 228 H ILE 36 H ILE 36 11.914 2.419 -1.672 229 HA ILE 36 HA ILE 36 11.508 4.945 -0.502 230 HB ILE 36 HB ILE 36 14.115 3.841 -1.550 231 HG12 ILE 36 2HG1 ILE 36 14.009 3.452 1.208 232 HG13 ILE 36 1HG1 ILE 36 12.406 2.987 0.647 233 HG21 ILE 36 1HG2 ILE 36 14.088 5.466 0.886 234 HG22 ILE 36 2HG2 ILE 36 15.170 5.524 -0.505 235 HG23 ILE 36 3HG2 ILE 36 13.603 6.333 -0.571 236 HD11 ILE 36 3HD1 ILE 36 13.294 1.326 -0.781 237 HD12 ILE 36 1HD1 ILE 36 14.939 1.921 -0.559 238 HD13 ILE 36 2HD1 ILE 36 14.094 1.143 0.780 239 H GLY 37 H GLY 37 10.816 6.651 -1.624 240 HA2 GLY 37 1HA GLY 37 11.349 8.526 -2.970 241 HA3 GLY 37 2HA GLY 37 12.415 7.508 -3.926 242 H SER 38 H SER 38 9.025 6.980 -3.019 243 HA SER 38 HA SER 38 8.393 6.869 -5.893 244 HB2 SER 38 1HB SER 38 6.816 5.574 -3.665 245 HB3 SER 38 2HB SER 38 6.667 5.288 -5.399 246 HG SER 38 HG SER 38 8.766 4.539 -3.649 247 H GLN 39 H GLN 39 6.919 8.201 -6.714 248 HA GLN 39 HA GLN 39 5.623 10.102 -4.896 249 HB2 GLN 39 1HB GLN 39 6.777 10.269 -7.536 250 HB3 GLN 39 2HB GLN 39 5.103 10.802 -7.578 251 HG2 GLN 39 1HG GLN 39 6.671 11.882 -5.352 252 HG3 GLN 39 2HG GLN 39 7.214 12.373 -6.955 253 HE21 GLN 39 1HE2 GLN 39 5.855 13.804 -4.712 254 HE22 GLN 39 2HE2 GLN 39 4.483 14.565 -5.450 255 H CYS 40 H CYS 40 4.165 8.314 -4.274 256 HA CYS 40 HA CYS 40 2.395 7.150 -6.177 257 HB2 CYS 40 1HB CYS 40 2.038 7.295 -3.180 258 HB3 CYS 40 2HB CYS 40 1.317 6.125 -4.280 259 H GLY 41 H GLY 41 0.709 8.080 -7.101 260 HA2 GLY 41 1HA GLY 41 -0.398 10.537 -6.018 261 HA3 GLY 41 2HA GLY 41 -0.811 9.788 -7.555 262 H ALA 42 H ALA 42 -0.923 8.706 -4.181 263 HA ALA 42 HA ALA 42 -3.808 8.526 -4.245 264 HB1 ALA 42 1HB ALA 42 -3.211 6.419 -5.302 265 HB2 ALA 42 2HB ALA 42 -2.120 6.039 -3.969 266 HB3 ALA 42 3HB ALA 42 -3.858 6.125 -3.686 267 H SER 43 H SER 43 -4.030 6.780 -2.017 268 HA SER 43 HA SER 43 -3.133 8.578 0.066 269 HB2 SER 43 1HB SER 43 -4.536 6.107 0.847 270 HB3 SER 43 2HB SER 43 -4.880 7.784 1.273 271 HG SER 43 HG SER 43 -6.280 6.373 -0.326 272 H VAL 44 H VAL 44 -1.399 8.266 1.287 273 HA VAL 44 HA VAL 44 0.221 5.905 0.958 274 HB VAL 44 HB VAL 44 0.619 8.265 2.813 275 HG11 VAL 44 1HG1 VAL 44 2.919 6.670 1.899 276 HG12 VAL 44 2HG1 VAL 44 2.589 7.390 3.475 277 HG13 VAL 44 3HG1 VAL 44 1.830 5.861 3.026 278 HG21 VAL 44 3HG2 VAL 44 1.553 9.420 1.135 279 HG22 VAL 44 1HG2 VAL 44 2.365 7.997 0.482 280 HG23 VAL 44 2HG2 VAL 44 0.677 8.312 0.080 281 H LYS 45 H LYS 45 -0.021 4.125 2.124 282 HA LYS 45 HA LYS 45 -1.445 4.341 4.691 283 HB2 LYS 45 1HB LYS 45 -2.324 3.068 2.403 284 HB3 LYS 45 2HB LYS 45 -1.643 1.755 3.351 285 HG2 LYS 45 1HG LYS 45 -3.423 1.715 4.647 286 HG3 LYS 45 2HG LYS 45 -3.200 3.418 5.051 287 HD2 LYS 45 1HD LYS 45 -4.319 3.894 2.792 288 HD3 LYS 45 2HD LYS 45 -4.840 2.208 2.852 289 HE2 LYS 45 2HE LYS 45 -6.454 3.956 3.772 290 HE3 LYS 45 1HE LYS 45 -6.120 2.552 4.783 291 HZ1 LYS 45 3HZ LYS 45 -4.222 4.325 5.553 292 HZ2 LYS 45 1HZ LYS 45 -5.683 4.044 6.365 293 HZ3 LYS 45 2HZ LYS 45 -5.552 5.329 5.261 294 H CYS 46 H CYS 46 -0.889 2.910 6.323 295 HA CYS 46 HA CYS 46 1.743 1.640 6.022 296 HB2 CYS 46 1HB CYS 46 0.450 3.141 8.196 297 HB3 CYS 46 2HB CYS 46 1.240 1.655 8.717 298 H CYS 47 H CYS 47 1.295 -0.386 5.343 299 HA CYS 47 HA CYS 47 -0.544 -1.972 6.997 300 HB2 CYS 47 1HB CYS 47 -0.474 -2.077 3.976 301 HB3 CYS 47 2HB CYS 47 -1.529 -3.005 5.038 302 H LYS 48 H LYS 48 -0.246 -4.291 6.780 303 HA LYS 48 HA LYS 48 2.439 -5.038 5.819 304 HB2 LYS 48 1HB LYS 48 1.631 -5.328 8.345 305 HB3 LYS 48 2HB LYS 48 0.907 -6.791 7.692 306 HG2 LYS 48 1HG LYS 48 3.796 -6.175 7.213 307 HG3 LYS 48 2HG LYS 48 3.264 -6.907 8.727 308 HD2 LYS 48 1HD LYS 48 2.250 -8.142 6.239 309 HD3 LYS 48 2HD LYS 48 3.974 -8.330 6.561 310 HE2 LYS 48 2HE LYS 48 3.634 -9.702 8.316 311 HE3 LYS 48 1HE LYS 48 2.196 -8.830 8.851 312 HZ1 LYS 48 3HZ LYS 48 1.056 -9.887 6.871 313 HZ2 LYS 48 1HZ LYS 48 1.450 -10.927 8.152 314 HZ3 LYS 48 2HZ LYS 48 2.400 -10.908 6.745 315 H ASP 49 H ASP 49 -0.889 -6.141 6.216 316 HA ASP 49 HA ASP 49 -2.139 -7.743 5.229 317 HB2 ASP 49 1HB ASP 49 -1.792 -5.950 3.392 318 HB3 ASP 49 2HB ASP 49 -0.729 -7.141 2.642 319 H ASP 50 H ASP 50 -1.025 -9.095 2.653 320 HA ASP 50 HA ASP 50 0.977 -10.820 3.931 321 HB2 ASP 50 1HB ASP 50 -1.233 -11.925 4.123 322 HB3 ASP 50 2HB ASP 50 -1.408 -11.843 2.373 323 H VAL 51 H VAL 51 2.675 -10.248 2.727 324 HA VAL 51 HA VAL 51 2.532 -9.645 -0.049 325 HB VAL 51 HB VAL 51 5.155 -10.449 1.053 326 HG11 VAL 51 1HG1 VAL 51 4.048 -8.211 -0.605 327 HG12 VAL 51 2HG1 VAL 51 5.676 -8.136 0.064 328 HG13 VAL 51 3HG1 VAL 51 5.238 -9.435 -1.044 329 HG21 VAL 51 3HG2 VAL 51 4.046 -7.832 1.994 330 HG22 VAL 51 1HG2 VAL 51 3.781 -9.300 2.934 331 HG23 VAL 51 2HG2 VAL 51 5.424 -8.751 2.606 332 H THR 52 H THR 52 1.742 -11.301 -1.225 333 HA THR 52 HA THR 52 2.698 -13.994 -0.945 334 HB THR 52 HB THR 52 1.289 -13.316 -3.430 335 HG1 THR 52 1HG THR 52 0.208 -12.656 -0.876 336 HG21 THR 52 3HG2 THR 52 -0.207 -15.032 -1.762 337 HG22 THR 52 1HG2 THR 52 1.491 -15.454 -1.530 338 HG23 THR 52 2HG2 THR 52 0.791 -15.473 -3.148 339 H ASN 53 H ASN 53 2.641 -11.880 -3.815 340 HA ASN 53 HA ASN 53 5.236 -12.998 -4.592 341 HB2 ASN 53 1HB ASN 53 3.158 -12.873 -6.179 342 HB3 ASN 53 2HB ASN 53 3.601 -11.176 -6.337 343 HD21 ASN 53 1HD2 ASN 53 3.607 -13.342 -8.322 344 HD22 ASN 53 2HD2 ASN 53 5.227 -13.405 -8.939 345 H THR 54 H THR 54 7.032 -11.727 -4.796 346 HA THR 54 HA THR 54 6.997 -9.210 -3.414 347 HB THR 54 HB THR 54 9.472 -9.646 -4.784 348 HG1 THR 54 1HG THR 54 8.523 -11.933 -3.349 349 HG21 THR 54 3HG2 THR 54 9.316 -10.433 -1.967 350 HG22 THR 54 1HG2 THR 54 8.612 -8.852 -2.304 351 HG23 THR 54 2HG2 THR 54 10.290 -9.181 -2.738 352 H GLY 55 H GLY 55 6.443 -10.194 -6.577 353 HA2 GLY 55 1HA GLY 55 6.874 -7.438 -7.549 354 HA3 GLY 55 2HA GLY 55 6.948 -8.860 -8.586 355 H ASN 56 H ASN 56 4.689 -7.445 -6.220 356 HA ASN 56 HA ASN 56 2.489 -8.213 -8.009 357 HB2 ASN 56 1HB ASN 56 2.801 -8.717 -5.327 358 HB3 ASN 56 2HB ASN 56 1.781 -7.282 -5.315 359 HD21 ASN 56 1HD2 ASN 56 0.238 -8.779 -4.364 360 HD22 ASN 56 2HD2 ASN 56 -0.748 -9.748 -5.406 361 H SER 57 H SER 57 1.842 -6.626 -9.275 362 HA SER 57 HA SER 57 2.357 -3.873 -8.636 363 HB2 SER 57 1HB SER 57 0.625 -4.357 -10.931 364 HB3 SER 57 2HB SER 57 2.213 -3.591 -10.864 365 HG SER 57 HG SER 57 3.158 -5.663 -10.858 366 H PHE 58 H PHE 58 -0.155 -5.999 -7.939 367 HA PHE 58 HA PHE 58 -1.742 -3.802 -6.928 368 HB2 PHE 58 1HB PHE 58 -2.441 -4.738 -9.401 369 HB3 PHE 58 2HB PHE 58 -3.435 -5.744 -8.351 370 HD1 PHE 58 2HD PHE 58 -2.408 -2.157 -8.520 371 HD2 PHE 58 1HD PHE 58 -5.561 -4.965 -7.993 372 HE1 PHE 58 2HE PHE 58 -4.005 -0.308 -8.274 373 HE2 PHE 58 1HE PHE 58 -7.166 -3.119 -7.743 374 HZ PHE 58 HZ PHE 58 -6.391 -0.784 -7.882 375 H LEU 59 H LEU 59 -1.799 -4.385 -4.876 376 HA LEU 59 HA LEU 59 -2.404 -7.188 -4.197 377 HB2 LEU 59 1HB LEU 59 -1.032 -4.963 -2.713 378 HB3 LEU 59 2HB LEU 59 -1.711 -6.329 -1.850 379 HG LEU 59 HG LEU 59 -0.083 -7.332 -3.965 380 HD11 LEU 59 1HD1 LEU 59 1.454 -5.715 -4.159 381 HD12 LEU 59 2HD1 LEU 59 0.928 -4.906 -2.683 382 HD13 LEU 59 3HD1 LEU 59 2.026 -6.284 -2.590 383 HD21 LEU 59 3HD2 LEU 59 1.048 -8.451 -2.167 384 HD22 LEU 59 1HD2 LEU 59 0.404 -7.304 -0.992 385 HD23 LEU 59 2HD2 LEU 59 -0.680 -8.425 -1.816 386 H ILE 60 H ILE 60 -4.421 -7.616 -3.563 387 HA ILE 60 HA ILE 60 -6.198 -5.511 -2.674 388 HB ILE 60 HB ILE 60 -6.559 -8.509 -2.868 389 HG12 ILE 60 2HG1 ILE 60 -6.528 -7.471 -5.033 390 HG13 ILE 60 1HG1 ILE 60 -8.203 -7.847 -4.649 391 HG21 ILE 60 1HG2 ILE 60 -8.995 -7.998 -2.457 392 HG22 ILE 60 2HG2 ILE 60 -7.934 -7.858 -1.056 393 HG23 ILE 60 3HG2 ILE 60 -8.479 -6.406 -1.896 394 HD11 ILE 60 3HD1 ILE 60 -8.665 -5.556 -4.153 395 HD12 ILE 60 1HD1 ILE 60 -6.959 -5.133 -4.296 396 HD13 ILE 60 2HD1 ILE 60 -7.864 -5.641 -5.721 397 H ILE 61 H ILE 61 -6.008 -4.734 -0.682 398 HA ILE 61 HA ILE 61 -4.671 -6.399 1.324 399 HB ILE 61 HB ILE 61 -4.987 -3.419 1.049 400 HG12 ILE 61 2HG1 ILE 61 -2.567 -5.223 1.244 401 HG13 ILE 61 1HG1 ILE 61 -3.190 -4.503 -0.237 402 HG21 ILE 61 1HG2 ILE 61 -4.400 -3.001 3.191 403 HG22 ILE 61 2HG2 ILE 61 -5.157 -4.569 3.476 404 HG23 ILE 61 3HG2 ILE 61 -3.404 -4.451 3.318 405 HD11 ILE 61 3HD1 ILE 61 -1.227 -3.340 0.713 406 HD12 ILE 61 1HD1 ILE 61 -2.649 -2.311 0.527 407 HD13 ILE 61 2HD1 ILE 61 -2.205 -2.926 2.122 408 H ASN 62 H ASN 62 -5.550 -6.943 3.204 409 HA ASN 62 HA ASN 62 -8.353 -6.416 3.683 410 HB2 ASN 62 1HB ASN 62 -7.233 -8.591 4.270 411 HB3 ASN 62 2HB ASN 62 -6.333 -7.736 5.516 412 HD21 ASN 62 1HD2 ASN 62 -7.553 -9.644 6.590 413 HD22 ASN 62 2HD2 ASN 62 -9.075 -9.228 7.317 414 H ALA 63 H ALA 63 -9.150 -4.795 4.863 415 HA ALA 63 HA ALA 63 -7.578 -2.602 5.575 416 HB1 ALA 63 1HB ALA 63 -9.676 -1.833 6.765 417 HB2 ALA 63 2HB ALA 63 -9.831 -2.206 5.050 418 HB3 ALA 63 3HB ALA 63 -10.399 -3.358 6.257 419 H ALA 64 H ALA 64 -8.362 -5.441 7.377 420 HA ALA 64 HA ALA 64 -7.860 -4.287 9.967 421 HB1 ALA 64 1HB ALA 64 -7.671 -7.193 9.773 422 HB2 ALA 64 2HB ALA 64 -8.715 -6.188 10.776 423 HB3 ALA 64 3HB ALA 64 -9.163 -6.534 9.104 424 H ASN 65 H ASN 65 -5.901 -5.364 7.431 425 HA ASN 65 HA ASN 65 -3.704 -6.142 9.216 426 HB2 ASN 65 1HB ASN 65 -4.564 -7.201 6.810 427 HB3 ASN 65 2HB ASN 65 -3.154 -6.249 6.347 428 HD21 ASN 65 1HD2 ASN 65 -3.462 -9.120 6.307 429 HD22 ASN 65 2HD2 ASN 65 -2.249 -9.761 7.363 430 H CYS 66 H CYS 66 -4.819 -3.389 8.503 431 HA CYS 66 HA CYS 66 -2.234 -2.130 7.864 432 HB2 CYS 66 1HB CYS 66 -5.057 -1.090 7.551 433 HB3 CYS 66 2HB CYS 66 -3.615 -0.109 7.311 434 H VAL 67 H VAL 67 -1.749 -0.136 9.075 435 HA VAL 67 HA VAL 67 -2.475 -0.351 11.859 436 HB VAL 67 HB VAL 67 -0.936 1.881 10.517 437 HG11 VAL 67 1HG1 VAL 67 -1.484 1.118 13.335 438 HG12 VAL 67 2HG1 VAL 67 0.104 1.781 12.947 439 HG13 VAL 67 3HG1 VAL 67 -1.348 2.715 12.597 440 HG21 VAL 67 3HG2 VAL 67 0.977 0.411 11.700 441 HG22 VAL 67 1HG2 VAL 67 -0.143 -0.869 11.230 442 HG23 VAL 67 2HG2 VAL 67 0.511 0.224 10.010 443 H ALA 68 H ALA 68 -3.000 1.962 9.242 444 HA ALA 68 HA ALA 68 -5.541 2.740 10.365 445 HB1 ALA 68 1HB ALA 68 -4.798 5.223 10.005 446 HB2 ALA 68 2HB ALA 68 -4.423 4.401 11.522 447 HB3 ALA 68 3HB ALA 68 -3.180 4.575 10.280 Start of MODEL 15 1 H1 SER 1 1H SER 1 0.826 18.413 -7.998 2 H2 SER 1 2H SER 1 2.010 17.226 -8.254 3 H3 SER 1 3H SER 1 2.468 18.797 -7.821 4 HA SER 1 HA SER 1 2.610 17.945 -5.774 5 HB2 SER 1 1HB SER 1 -0.159 17.745 -5.149 6 HB3 SER 1 2HB SER 1 0.935 19.091 -4.819 7 HG SER 1 HG SER 1 0.085 20.172 -6.413 8 H ALA 2 H ALA 2 3.012 16.025 -4.858 9 HA ALA 2 HA ALA 2 1.159 13.833 -5.021 10 HB1 ALA 2 1HB ALA 2 3.777 13.649 -6.510 11 HB2 ALA 2 2HB ALA 2 2.737 12.275 -6.136 12 HB3 ALA 2 3HB ALA 2 2.156 13.556 -7.200 13 H THR 3 H THR 3 1.895 11.971 -3.760 14 HA THR 3 HA THR 3 3.470 12.757 -1.491 15 HB THR 3 HB THR 3 3.077 10.080 -1.161 16 HG1 THR 3 1HG THR 3 0.711 10.007 -1.918 17 HG21 THR 3 3HG2 THR 3 0.667 11.289 -0.348 18 HG22 THR 3 1HG2 THR 3 1.911 12.534 -0.228 19 HG23 THR 3 2HG2 THR 3 2.108 11.005 0.628 20 H THR 4 H THR 4 5.594 12.605 -1.391 21 HA THR 4 HA THR 4 7.022 10.915 -3.306 22 HB THR 4 HB THR 4 8.528 12.629 -1.414 23 HG1 THR 4 1HG THR 4 6.587 13.596 -3.214 24 HG21 THR 4 3HG2 THR 4 10.058 12.165 -2.970 25 HG22 THR 4 1HG2 THR 4 9.156 13.187 -4.088 26 HG23 THR 4 2HG2 THR 4 8.840 11.454 -4.027 27 H ILE 5 H ILE 5 6.890 8.881 -2.480 28 HA ILE 5 HA ILE 5 7.177 8.394 0.344 29 HB ILE 5 HB ILE 5 5.680 6.872 -0.456 30 HG12 ILE 5 2HG1 ILE 5 7.716 4.951 -1.275 31 HG13 ILE 5 1HG1 ILE 5 8.131 5.780 0.219 32 HG21 ILE 5 1HG2 ILE 5 6.975 7.370 -2.980 33 HG22 ILE 5 2HG2 ILE 5 6.620 5.654 -2.783 34 HG23 ILE 5 3HG2 ILE 5 5.324 6.843 -2.648 35 HD11 ILE 5 3HD1 ILE 5 6.968 4.019 1.051 36 HD12 ILE 5 1HD1 ILE 5 5.647 5.169 0.837 37 HD13 ILE 5 2HD1 ILE 5 5.916 3.903 -0.361 38 H GLY 6 H GLY 6 8.889 7.661 1.411 39 HA2 GLY 6 1HA GLY 6 11.304 6.946 -0.125 40 HA3 GLY 6 2HA GLY 6 11.382 8.059 1.236 41 HA PRO 7 HA PRO 7 12.045 3.809 2.888 42 HB2 PRO 7 1HB PRO 7 14.352 4.230 4.164 43 HB3 PRO 7 2HB PRO 7 14.300 4.004 2.412 44 HG2 PRO 7 1HG PRO 7 14.563 6.529 3.991 45 HG3 PRO 7 2HG PRO 7 15.384 6.052 2.494 46 HD2 PRO 7 1HD PRO 7 13.174 7.715 2.626 47 HD3 PRO 7 2HD PRO 7 13.671 6.801 1.189 48 H ASN 8 H ASN 8 11.076 6.660 4.147 49 HA ASN 8 HA ASN 8 10.769 5.530 6.824 50 HB2 ASN 8 1HB ASN 8 12.847 7.057 6.642 51 HB3 ASN 8 2HB ASN 8 11.691 8.379 6.541 52 HD21 ASN 8 1HD2 ASN 8 12.223 5.465 8.525 53 HD22 ASN 8 2HD2 ASN 8 11.919 6.248 10.042 54 H THR 9 H THR 9 8.942 6.078 4.551 55 HA THR 9 HA THR 9 7.286 8.260 5.430 56 HB THR 9 HB THR 9 6.405 6.052 3.579 57 HG1 THR 9 1HG THR 9 7.916 8.374 2.856 58 HG21 THR 9 3HG2 THR 9 5.370 8.171 2.475 59 HG22 THR 9 1HG2 THR 9 5.659 8.919 4.046 60 HG23 THR 9 2HG2 THR 9 4.618 7.501 3.924 61 H CYS 10 H CYS 10 7.586 4.903 6.163 62 HA CYS 10 HA CYS 10 5.208 5.106 7.886 63 HB2 CYS 10 1HB CYS 10 6.046 2.963 6.030 64 HB3 CYS 10 2HB CYS 10 5.516 2.417 7.616 65 H SER 11 H SER 11 7.280 2.324 7.969 66 HA SER 11 HA SER 11 8.797 1.521 9.431 67 HB2 SER 11 1HB SER 11 9.551 4.356 10.104 68 HB3 SER 11 2HB SER 11 10.581 2.924 10.032 69 HG SER 11 HG SER 11 10.989 3.568 8.080 70 H ILE 12 H ILE 12 6.089 2.225 10.423 71 HA ILE 12 HA ILE 12 6.341 3.056 13.134 72 HB ILE 12 HB ILE 12 4.141 1.437 11.836 73 HG12 ILE 12 2HG1 ILE 12 4.404 4.416 12.310 74 HG13 ILE 12 1HG1 ILE 12 4.449 3.604 10.749 75 HG21 ILE 12 1HG2 ILE 12 4.553 2.396 14.566 76 HG22 ILE 12 2HG2 ILE 12 2.995 2.847 13.876 77 HG23 ILE 12 3HG2 ILE 12 3.466 1.149 13.954 78 HD11 ILE 12 3HD1 ILE 12 2.158 4.332 12.442 79 HD12 ILE 12 1HD1 ILE 12 2.292 4.221 10.686 80 HD13 ILE 12 2HD1 ILE 12 2.061 2.761 11.647 81 H ASP 13 H ASP 13 6.481 0.027 11.445 82 HA ASP 13 HA ASP 13 8.074 -1.314 13.253 83 HB2 ASP 13 1HB ASP 13 5.921 -1.203 14.652 84 HB3 ASP 13 2HB ASP 13 5.239 -2.334 13.486 85 H ASP 14 H ASP 14 6.018 -3.735 12.604 86 HA ASP 14 HA ASP 14 7.218 -4.420 10.069 87 HB2 ASP 14 1HB ASP 14 6.397 -5.966 12.070 88 HB3 ASP 14 2HB ASP 14 4.880 -5.917 11.177 89 H TYR 15 H TYR 15 5.374 -2.082 10.476 90 HA TYR 15 HA TYR 15 3.190 -2.658 8.645 91 HB2 TYR 15 1HB TYR 15 3.977 -0.187 10.203 92 HB3 TYR 15 2HB TYR 15 2.638 -0.225 9.062 93 HD1 TYR 15 2HD TYR 15 0.690 -1.765 9.529 94 HD2 TYR 15 1HD TYR 15 3.719 -0.965 12.409 95 HE1 TYR 15 2HE TYR 15 -0.809 -2.542 11.316 96 HE2 TYR 15 1HE TYR 15 2.227 -1.740 14.201 97 HH TYR 15 HH TYR 15 -0.366 -1.880 14.487 98 H LYS 16 H LYS 16 3.927 -2.828 6.607 99 HA LYS 16 HA LYS 16 6.093 -1.199 5.626 100 HB2 LYS 16 1HB LYS 16 4.623 -2.573 3.544 101 HB3 LYS 16 2HB LYS 16 6.290 -2.790 4.057 102 HG2 LYS 16 1HG LYS 16 4.687 -3.983 6.033 103 HG3 LYS 16 2HG LYS 16 4.036 -4.494 4.474 104 HD2 LYS 16 1HD LYS 16 6.004 -5.544 3.855 105 HD3 LYS 16 2HD LYS 16 6.987 -4.576 4.956 106 HE2 LYS 16 2HE LYS 16 5.267 -5.898 6.650 107 HE3 LYS 16 1HE LYS 16 5.605 -7.102 5.406 108 HZ1 LYS 16 3HZ LYS 16 7.609 -7.437 6.257 109 HZ2 LYS 16 1HZ LYS 16 7.200 -6.422 7.553 110 HZ3 LYS 16 2HZ LYS 16 7.992 -5.788 6.193 111 HA PRO 17 HA PRO 17 3.559 2.039 4.005 112 HB2 PRO 17 1HB PRO 17 5.479 2.673 1.952 113 HB3 PRO 17 2HB PRO 17 5.208 3.493 3.490 114 HG2 PRO 17 1HG PRO 17 7.477 2.071 2.883 115 HG3 PRO 17 2HG PRO 17 6.895 2.357 4.531 116 HD2 PRO 17 1HD PRO 17 6.603 -0.077 2.812 117 HD3 PRO 17 2HD PRO 17 6.932 0.044 4.556 118 H TYR 18 H TYR 18 1.798 1.668 2.838 119 HA TYR 18 HA TYR 18 2.121 0.599 0.113 120 HB2 TYR 18 1HB TYR 18 0.143 -0.143 2.251 121 HB3 TYR 18 2HB TYR 18 -0.238 -0.379 0.550 122 HD1 TYR 18 1HD TYR 18 1.301 -1.855 -0.828 123 HD2 TYR 18 2HD TYR 18 1.453 -1.702 3.417 124 HE1 TYR 18 1HE TYR 18 2.492 -4.008 -0.802 125 HE2 TYR 18 2HE TYR 18 2.650 -3.850 3.459 126 HH TYR 18 HH TYR 18 2.695 -5.982 1.515 127 H CYS 19 H CYS 19 1.086 1.643 -1.463 128 HA CYS 19 HA CYS 19 -0.306 4.109 -0.835 129 HB2 CYS 19 1HB CYS 19 1.302 3.209 -2.950 130 HB3 CYS 19 2HB CYS 19 -0.306 3.382 -3.639 131 H CYS 20 H CYS 20 -2.297 3.561 -0.008 132 HA CYS 20 HA CYS 20 -3.789 1.404 -1.201 133 HB2 CYS 20 1HB CYS 20 -3.838 2.834 1.306 134 HB3 CYS 20 2HB CYS 20 -5.459 2.697 0.628 135 H GLN 21 H GLN 21 -4.732 1.758 -3.059 136 HA GLN 21 HA GLN 21 -6.095 4.218 -3.681 137 HB2 GLN 21 1HB GLN 21 -5.642 1.600 -5.049 138 HB3 GLN 21 2HB GLN 21 -6.973 2.610 -5.593 139 HG2 GLN 21 1HG GLN 21 -5.134 4.471 -5.651 140 HG3 GLN 21 2HG GLN 21 -4.045 3.086 -5.749 141 HE21 GLN 21 1HE2 GLN 21 -6.139 5.136 -7.437 142 HE22 GLN 21 2HE2 GLN 21 -6.111 4.299 -8.958 143 H SER 22 H SER 22 -7.941 4.674 -2.683 144 HA SER 22 HA SER 22 -9.691 2.612 -1.698 145 HB2 SER 22 1HB SER 22 -10.374 5.545 -1.896 146 HB3 SER 22 2HB SER 22 -10.932 4.362 -0.709 147 HG SER 22 HG SER 22 -8.658 5.897 -0.728 148 H MET 23 H MET 23 -10.785 1.485 -3.159 149 HA MET 23 HA MET 23 -11.491 2.642 -5.707 150 HB2 MET 23 1HB MET 23 -12.201 -0.125 -4.748 151 HB3 MET 23 2HB MET 23 -12.031 0.440 -6.404 152 HG2 MET 23 1HG MET 23 -9.564 0.916 -5.167 153 HG3 MET 23 2HG MET 23 -10.069 -0.697 -4.663 154 HE1 MET 23 3HE MET 23 -8.308 1.349 -6.885 155 HE2 MET 23 1HE MET 23 -8.057 0.463 -8.389 156 HE3 MET 23 2HE MET 23 -9.488 1.472 -8.190 157 H SER 24 H SER 24 -13.496 2.995 -6.493 158 HA SER 24 HA SER 24 -15.651 3.145 -4.512 159 HB2 SER 24 1HB SER 24 -16.077 4.310 -7.191 160 HB3 SER 24 2HB SER 24 -16.357 5.012 -5.597 161 HG SER 24 HG SER 24 -13.879 4.783 -6.975 162 H GLY 25 H GLY 25 -17.352 1.822 -4.616 163 HA2 GLY 25 1HA GLY 25 -18.914 0.374 -5.601 164 HA3 GLY 25 2HA GLY 25 -17.983 0.418 -7.094 165 H SER 26 H SER 26 -15.609 -0.444 -6.633 166 HA SER 26 HA SER 26 -15.864 -3.173 -5.796 167 HB2 SER 26 1HB SER 26 -13.129 -2.351 -6.101 168 HB3 SER 26 2HB SER 26 -14.090 -3.380 -7.163 169 HG SER 26 HG SER 26 -13.202 -1.315 -8.050 170 H ALA 27 H ALA 27 -15.974 -3.638 -3.676 171 HA ALA 27 HA ALA 27 -14.867 -1.863 -1.691 172 HB1 ALA 27 1HB ALA 27 -17.017 -3.468 -1.679 173 HB2 ALA 27 2HB ALA 27 -15.854 -4.522 -0.873 174 HB3 ALA 27 3HB ALA 27 -16.205 -2.925 -0.212 175 H SER 28 H SER 28 -12.665 -2.220 -2.699 176 HA SER 28 HA SER 28 -11.262 -4.141 -1.027 177 HB2 SER 28 1HB SER 28 -11.259 -4.191 -4.031 178 HB3 SER 28 2HB SER 28 -9.815 -4.684 -3.146 179 HG SER 28 HG SER 28 -12.106 -6.044 -3.565 180 H LEU 29 H LEU 29 -9.055 -3.607 -0.695 181 HA LEU 29 HA LEU 29 -8.511 -0.776 -1.165 182 HB2 LEU 29 1HB LEU 29 -7.294 -2.794 0.721 183 HB3 LEU 29 2HB LEU 29 -6.684 -1.162 0.531 184 HG LEU 29 HG LEU 29 -9.522 -1.732 1.366 185 HD11 LEU 29 1HD1 LEU 29 -8.925 -2.063 3.491 186 HD12 LEU 29 2HD1 LEU 29 -7.332 -2.450 2.840 187 HD13 LEU 29 3HD1 LEU 29 -7.674 -0.822 3.428 188 HD21 LEU 29 3HD2 LEU 29 -8.819 0.520 0.410 189 HD22 LEU 29 1HD2 LEU 29 -9.593 0.535 1.995 190 HD23 LEU 29 2HD2 LEU 29 -7.843 0.710 1.869 191 H GLY 30 H GLY 30 -7.384 -0.338 -2.924 192 HA2 GLY 30 1HA GLY 30 -5.582 -2.289 -4.088 193 HA3 GLY 30 2HA GLY 30 -5.981 -0.708 -4.745 194 H CYS 31 H CYS 31 -4.247 -2.234 -2.061 195 HA CYS 31 HA CYS 31 -2.740 0.197 -1.602 196 HB2 CYS 31 1HB CYS 31 -3.575 -1.989 -0.011 197 HB3 CYS 31 2HB CYS 31 -1.816 -2.025 -0.028 198 H VAL 32 H VAL 32 -1.633 0.255 -3.579 199 HA VAL 32 HA VAL 32 0.124 -1.794 -4.472 200 HB VAL 32 HB VAL 32 0.674 1.074 -5.109 201 HG11 VAL 32 1HG1 VAL 32 1.109 0.195 -7.313 202 HG12 VAL 32 2HG1 VAL 32 1.965 -0.771 -6.111 203 HG13 VAL 32 3HG1 VAL 32 0.478 -1.383 -6.835 204 HG21 VAL 32 3HG2 VAL 32 -1.239 0.451 -6.953 205 HG22 VAL 32 1HG2 VAL 32 -1.914 -0.241 -5.479 206 HG23 VAL 32 2HG2 VAL 32 -1.493 1.471 -5.536 207 H VAL 33 H VAL 33 2.235 -2.218 -3.924 208 HA VAL 33 HA VAL 33 3.213 -1.259 -1.481 209 HB VAL 33 HB VAL 33 3.910 -3.424 -2.338 210 HG11 VAL 33 1HG1 VAL 33 5.829 -2.245 -4.266 211 HG12 VAL 33 2HG1 VAL 33 5.042 -3.823 -4.271 212 HG13 VAL 33 3HG1 VAL 33 4.141 -2.385 -4.756 213 HG21 VAL 33 3HG2 VAL 33 5.479 -2.925 -0.799 214 HG22 VAL 33 1HG2 VAL 33 6.536 -2.867 -2.210 215 HG23 VAL 33 2HG2 VAL 33 5.872 -1.376 -1.544 216 H GLY 34 H GLY 34 4.426 0.416 -0.910 217 HA2 GLY 34 1HA GLY 34 4.793 2.543 -2.783 218 HA3 GLY 34 2HA GLY 34 5.268 2.546 -1.090 219 H VAL 35 H VAL 35 6.423 2.785 -4.124 220 HA VAL 35 HA VAL 35 8.935 1.399 -3.648 221 HB VAL 35 HB VAL 35 9.184 3.002 -5.953 222 HG11 VAL 35 1HG1 VAL 35 8.858 0.660 -7.046 223 HG12 VAL 35 2HG1 VAL 35 10.236 0.953 -5.985 224 HG13 VAL 35 3HG1 VAL 35 8.822 0.095 -5.375 225 HG21 VAL 35 3HG2 VAL 35 6.824 1.436 -6.617 226 HG22 VAL 35 1HG2 VAL 35 6.478 2.742 -5.484 227 HG23 VAL 35 2HG2 VAL 35 7.234 3.099 -7.037 228 H ILE 36 H ILE 36 10.634 2.342 -2.768 229 HA ILE 36 HA ILE 36 10.547 4.941 -1.706 230 HB ILE 36 HB ILE 36 12.933 3.141 -2.156 231 HG12 ILE 36 2HG1 ILE 36 12.063 3.438 0.579 232 HG13 ILE 36 1HG1 ILE 36 10.726 2.885 -0.427 233 HG21 ILE 36 1HG2 ILE 36 12.816 5.851 -1.304 234 HG22 ILE 36 2HG2 ILE 36 13.288 4.849 0.070 235 HG23 ILE 36 3HG2 ILE 36 14.220 4.789 -1.428 236 HD11 ILE 36 3HD1 ILE 36 11.730 0.889 -0.894 237 HD12 ILE 36 1HD1 ILE 36 13.359 1.534 -0.693 238 HD13 ILE 36 2HD1 ILE 36 12.364 1.194 0.723 239 H GLY 37 H GLY 37 10.886 6.840 -2.620 240 HA2 GLY 37 1HA GLY 37 12.044 8.438 -3.875 241 HA3 GLY 37 2HA GLY 37 12.901 7.142 -4.698 242 H SER 38 H SER 38 9.405 7.493 -4.333 243 HA SER 38 HA SER 38 9.196 8.152 -7.177 244 HB2 SER 38 1HB SER 38 7.278 6.133 -6.125 245 HB3 SER 38 2HB SER 38 7.932 6.323 -7.752 246 HG SER 38 HG SER 38 9.161 5.157 -5.475 247 H GLN 39 H GLN 39 7.098 8.963 -7.804 248 HA GLN 39 HA GLN 39 5.816 10.440 -5.639 249 HB2 GLN 39 1HB GLN 39 4.890 10.719 -8.454 250 HB3 GLN 39 2HB GLN 39 5.082 11.946 -7.211 251 HG2 GLN 39 1HG GLN 39 7.404 10.635 -8.596 252 HG3 GLN 39 2HG GLN 39 6.634 12.110 -9.178 253 HE21 GLN 39 1HE2 GLN 39 9.283 11.163 -7.744 254 HE22 GLN 39 2HE2 GLN 39 9.565 12.469 -6.640 255 H CYS 40 H CYS 40 4.591 8.941 -4.599 256 HA CYS 40 HA CYS 40 3.109 6.886 -5.775 257 HB2 CYS 40 1HB CYS 40 3.692 7.725 -3.207 258 HB3 CYS 40 2HB CYS 40 1.945 7.920 -3.312 259 H GLY 41 H GLY 41 1.777 9.833 -4.286 260 HA2 GLY 41 1HA GLY 41 0.222 11.287 -5.350 261 HA3 GLY 41 2HA GLY 41 -0.184 9.989 -6.467 262 H ALA 42 H ALA 42 -0.661 7.914 -4.725 263 HA ALA 42 HA ALA 42 -3.263 8.654 -3.711 264 HB1 ALA 42 1HB ALA 42 -3.640 6.310 -3.417 265 HB2 ALA 42 2HB ALA 42 -2.850 6.549 -4.978 266 HB3 ALA 42 3HB ALA 42 -1.920 5.961 -3.599 267 H SER 43 H SER 43 -3.824 7.341 -1.561 268 HA SER 43 HA SER 43 -2.361 8.682 0.496 269 HB2 SER 43 1HB SER 43 -4.344 6.570 1.172 270 HB3 SER 43 2HB SER 43 -4.145 8.188 1.846 271 HG SER 43 HG SER 43 -5.111 9.046 0.005 272 H VAL 44 H VAL 44 -0.325 7.889 0.721 273 HA VAL 44 HA VAL 44 0.256 5.090 0.913 274 HB VAL 44 HB VAL 44 2.069 7.215 2.016 275 HG11 VAL 44 1HG1 VAL 44 3.186 5.119 0.332 276 HG12 VAL 44 2HG1 VAL 44 3.627 5.617 1.965 277 HG13 VAL 44 3HG1 VAL 44 2.297 4.485 1.719 278 HG21 VAL 44 3HG2 VAL 44 2.985 7.588 -0.222 279 HG22 VAL 44 1HG2 VAL 44 1.732 6.555 -0.911 280 HG23 VAL 44 2HG2 VAL 44 1.293 8.075 -0.133 281 H LYS 45 H LYS 45 -0.358 3.903 2.577 282 HA LYS 45 HA LYS 45 -0.173 5.066 5.276 283 HB2 LYS 45 1HB LYS 45 -2.154 3.853 5.950 284 HB3 LYS 45 2HB LYS 45 -2.537 4.854 4.556 285 HG2 LYS 45 1HG LYS 45 -2.976 3.080 3.236 286 HG3 LYS 45 2HG LYS 45 -1.717 2.082 3.971 287 HD2 LYS 45 1HD LYS 45 -3.382 0.995 4.995 288 HD3 LYS 45 2HD LYS 45 -3.535 2.424 6.018 289 HE2 LYS 45 2HE LYS 45 -4.950 3.093 3.737 290 HE3 LYS 45 1HE LYS 45 -5.330 1.388 3.977 291 HZ1 LYS 45 3HZ LYS 45 -5.761 3.638 5.862 292 HZ2 LYS 45 1HZ LYS 45 -5.843 2.018 6.348 293 HZ3 LYS 45 2HZ LYS 45 -6.927 2.598 5.187 294 H CYS 46 H CYS 46 -0.252 3.157 6.948 295 HA CYS 46 HA CYS 46 1.835 1.309 6.057 296 HB2 CYS 46 1HB CYS 46 0.973 1.951 8.880 297 HB3 CYS 46 2HB CYS 46 2.412 1.063 8.389 298 H CYS 47 H CYS 47 1.523 -0.826 5.959 299 HA CYS 47 HA CYS 47 -0.903 -1.933 7.216 300 HB2 CYS 47 1HB CYS 47 0.189 -2.779 4.527 301 HB3 CYS 47 2HB CYS 47 -1.287 -3.348 5.299 302 H LYS 48 H LYS 48 -0.646 -3.851 8.278 303 HA LYS 48 HA LYS 48 2.057 -4.931 8.410 304 HB2 LYS 48 1HB LYS 48 0.097 -4.669 10.320 305 HB3 LYS 48 2HB LYS 48 -0.045 -6.367 9.880 306 HG2 LYS 48 1HG LYS 48 2.700 -5.421 10.322 307 HG3 LYS 48 2HG LYS 48 1.659 -5.397 11.744 308 HD2 LYS 48 1HD LYS 48 2.413 -7.535 11.916 309 HD3 LYS 48 2HD LYS 48 1.051 -7.832 10.835 310 HE2 LYS 48 2HE LYS 48 2.387 -8.270 9.054 311 HE3 LYS 48 1HE LYS 48 3.614 -7.110 9.554 312 HZ1 LYS 48 3HZ LYS 48 3.789 -9.826 9.763 313 HZ2 LYS 48 1HZ LYS 48 3.430 -9.333 11.348 314 HZ3 LYS 48 2HZ LYS 48 4.784 -8.697 10.546 315 H ASP 49 H ASP 49 1.087 -5.192 5.944 316 HA ASP 49 HA ASP 49 -0.020 -7.835 5.571 317 HB2 ASP 49 1HB ASP 49 -0.706 -6.391 3.859 318 HB3 ASP 49 2HB ASP 49 0.875 -5.619 3.742 319 H ASP 50 H ASP 50 1.234 -9.609 5.643 320 HA ASP 50 HA ASP 50 4.122 -9.259 5.553 321 HB2 ASP 50 1HB ASP 50 2.376 -11.031 6.922 322 HB3 ASP 50 2HB ASP 50 3.400 -12.002 5.863 323 H VAL 51 H VAL 51 3.871 -8.637 3.301 324 HA VAL 51 HA VAL 51 2.953 -10.198 1.247 325 HB VAL 51 HB VAL 51 3.553 -7.966 0.764 326 HG11 VAL 51 1HG1 VAL 51 6.451 -8.546 1.323 327 HG12 VAL 51 2HG1 VAL 51 5.690 -6.986 1.006 328 HG13 VAL 51 3HG1 VAL 51 5.353 -7.842 2.510 329 HG21 VAL 51 3HG2 VAL 51 5.173 -10.024 -0.660 330 HG22 VAL 51 1HG2 VAL 51 3.809 -9.062 -1.236 331 HG23 VAL 51 2HG2 VAL 51 5.400 -8.322 -1.059 332 H THR 52 H THR 52 3.343 -12.297 1.207 333 HA THR 52 HA THR 52 6.142 -13.155 0.856 334 HB THR 52 HB THR 52 4.434 -15.408 1.146 335 HG1 THR 52 1HG THR 52 3.918 -13.270 2.933 336 HG21 THR 52 3HG2 THR 52 6.925 -14.681 1.918 337 HG22 THR 52 1HG2 THR 52 6.073 -16.091 2.549 338 HG23 THR 52 2HG2 THR 52 6.068 -14.577 3.455 339 H ASN 53 H ASN 53 2.848 -13.277 -0.294 340 HA ASN 53 HA ASN 53 3.774 -14.305 -2.888 341 HB2 ASN 53 1HB ASN 53 1.053 -14.217 -1.577 342 HB3 ASN 53 2HB ASN 53 1.238 -14.492 -3.306 343 HD21 ASN 53 1HD2 ASN 53 0.058 -16.292 -1.500 344 HD22 ASN 53 2HD2 ASN 53 1.032 -17.724 -1.461 345 H THR 54 H THR 54 4.178 -12.766 -4.345 346 HA THR 54 HA THR 54 3.376 -10.057 -3.841 347 HB THR 54 HB THR 54 4.487 -10.327 -6.448 348 HG1 THR 54 1HG THR 54 6.415 -11.415 -4.814 349 HG21 THR 54 3HG2 THR 54 6.032 -8.807 -5.662 350 HG22 THR 54 1HG2 THR 54 6.112 -9.551 -4.065 351 HG23 THR 54 2HG2 THR 54 4.718 -8.564 -4.511 352 H GLY 55 H GLY 55 1.913 -8.833 -4.929 353 HA2 GLY 55 1HA GLY 55 -0.237 -10.113 -6.259 354 HA3 GLY 55 2HA GLY 55 0.024 -8.376 -6.154 355 H ASN 56 H ASN 56 -0.987 -9.593 -8.449 356 HA ASN 56 HA ASN 56 1.153 -10.103 -10.301 357 HB2 ASN 56 1HB ASN 56 -1.840 -9.975 -10.523 358 HB3 ASN 56 2HB ASN 56 -0.843 -10.001 -11.977 359 HD21 ASN 56 1HD2 ASN 56 -0.623 -11.938 -12.801 360 HD22 ASN 56 2HD2 ASN 56 -0.560 -13.427 -11.915 361 H SER 57 H SER 57 -1.439 -7.638 -10.259 362 HA SER 57 HA SER 57 0.288 -5.850 -11.778 363 HB2 SER 57 1HB SER 57 -2.014 -4.453 -11.214 364 HB3 SER 57 2HB SER 57 -1.753 -5.433 -12.660 365 HG SER 57 HG SER 57 -3.681 -6.021 -11.583 366 H PHE 58 H PHE 58 -1.409 -6.032 -8.695 367 HA PHE 58 HA PHE 58 0.670 -4.603 -7.354 368 HB2 PHE 58 1HB PHE 58 -0.765 -2.809 -6.447 369 HB3 PHE 58 2HB PHE 58 -0.571 -2.682 -8.189 370 HD1 PHE 58 2HD PHE 58 -2.471 -3.569 -9.656 371 HD2 PHE 58 1HD PHE 58 -2.866 -2.839 -5.482 372 HE1 PHE 58 2HE PHE 58 -4.913 -3.455 -9.910 373 HE2 PHE 58 1HE PHE 58 -5.306 -2.721 -5.730 374 HZ PHE 58 HZ PHE 58 -6.339 -3.030 -7.945 375 H LEU 59 H LEU 59 -0.502 -4.087 -4.946 376 HA LEU 59 HA LEU 59 -1.230 -6.813 -4.158 377 HB2 LEU 59 1HB LEU 59 0.389 -4.683 -2.965 378 HB3 LEU 59 2HB LEU 59 -0.691 -5.470 -1.830 379 HG LEU 59 HG LEU 59 0.750 -7.387 -3.477 380 HD11 LEU 59 1HD1 LEU 59 2.896 -6.970 -2.131 381 HD12 LEU 59 2HD1 LEU 59 2.585 -5.955 -3.538 382 HD13 LEU 59 3HD1 LEU 59 2.277 -5.331 -1.918 383 HD21 LEU 59 3HD2 LEU 59 1.054 -7.186 -0.532 384 HD22 LEU 59 1HD2 LEU 59 -0.561 -7.497 -1.169 385 HD23 LEU 59 2HD2 LEU 59 0.764 -8.597 -1.548 386 H ILE 60 H ILE 60 -3.144 -7.283 -3.345 387 HA ILE 60 HA ILE 60 -4.841 -5.108 -2.308 388 HB ILE 60 HB ILE 60 -5.892 -7.612 -3.638 389 HG12 ILE 60 2HG1 ILE 60 -6.465 -5.324 -5.214 390 HG13 ILE 60 1HG1 ILE 60 -4.736 -5.292 -4.879 391 HG21 ILE 60 1HG2 ILE 60 -7.864 -5.810 -3.846 392 HG22 ILE 60 2HG2 ILE 60 -7.679 -6.880 -2.456 393 HG23 ILE 60 3HG2 ILE 60 -7.086 -5.220 -2.376 394 HD11 ILE 60 3HD1 ILE 60 -5.380 -7.942 -5.577 395 HD12 ILE 60 1HD1 ILE 60 -6.179 -6.889 -6.744 396 HD13 ILE 60 2HD1 ILE 60 -4.437 -6.767 -6.496 397 H ILE 61 H ILE 61 -4.571 -5.378 -0.164 398 HA ILE 61 HA ILE 61 -4.593 -8.101 0.930 399 HB ILE 61 HB ILE 61 -3.973 -5.896 2.775 400 HG12 ILE 61 2HG1 ILE 61 -1.511 -6.223 1.562 401 HG13 ILE 61 1HG1 ILE 61 -2.610 -6.101 0.191 402 HG21 ILE 61 1HG2 ILE 61 -3.302 -8.688 2.317 403 HG22 ILE 61 2HG2 ILE 61 -1.905 -7.713 2.776 404 HG23 ILE 61 3HG2 ILE 61 -3.331 -7.757 3.815 405 HD11 ILE 61 3HD1 ILE 61 -1.570 -3.955 1.036 406 HD12 ILE 61 1HD1 ILE 61 -3.320 -3.957 0.814 407 HD13 ILE 61 2HD1 ILE 61 -2.635 -4.111 2.434 408 H ASN 62 H ASN 62 -5.235 -7.463 3.568 409 HA ASN 62 HA ASN 62 -8.110 -6.999 3.284 410 HB2 ASN 62 1HB ASN 62 -6.853 -9.046 4.506 411 HB3 ASN 62 2HB ASN 62 -6.994 -7.939 5.867 412 HD21 ASN 62 1HD2 ASN 62 -8.323 -10.019 6.405 413 HD22 ASN 62 2HD2 ASN 62 -10.022 -9.892 6.070 414 H ALA 63 H ALA 63 -9.218 -5.845 5.017 415 HA ALA 63 HA ALA 63 -7.907 -3.344 5.559 416 HB1 ALA 63 1HB ALA 63 -10.127 -2.794 6.649 417 HB2 ALA 63 2HB ALA 63 -10.176 -3.184 4.930 418 HB3 ALA 63 3HB ALA 63 -10.673 -4.386 6.121 419 H ALA 64 H ALA 64 -7.479 -6.141 7.005 420 HA ALA 64 HA ALA 64 -7.548 -5.130 9.754 421 HB1 ALA 64 1HB ALA 64 -6.635 -7.886 9.055 422 HB2 ALA 64 2HB ALA 64 -7.464 -7.306 10.501 423 HB3 ALA 64 3HB ALA 64 -8.353 -7.492 8.990 424 H ASN 65 H ASN 65 -5.394 -6.006 7.171 425 HA ASN 65 HA ASN 65 -2.994 -5.893 8.742 426 HB2 ASN 65 1HB ASN 65 -3.267 -5.640 5.737 427 HB3 ASN 65 2HB ASN 65 -1.815 -6.067 6.633 428 HD21 ASN 65 1HD2 ASN 65 -1.500 -8.132 7.256 429 HD22 ASN 65 2HD2 ASN 65 -2.556 -9.436 6.857 430 H CYS 66 H CYS 66 -4.556 -3.805 6.365 431 HA CYS 66 HA CYS 66 -2.777 -1.600 6.855 432 HB2 CYS 66 1HB CYS 66 -5.377 -1.817 5.326 433 HB3 CYS 66 2HB CYS 66 -4.394 -0.359 5.387 434 H VAL 67 H VAL 67 -3.030 0.063 8.251 435 HA VAL 67 HA VAL 67 -5.450 0.029 9.914 436 HB VAL 67 HB VAL 67 -3.818 1.830 11.156 437 HG11 VAL 67 1HG1 VAL 67 -3.562 0.197 12.838 438 HG12 VAL 67 2HG1 VAL 67 -5.093 -0.168 12.042 439 HG13 VAL 67 3HG1 VAL 67 -3.659 -1.125 11.676 440 HG21 VAL 67 3HG2 VAL 67 -1.988 1.297 9.547 441 HG22 VAL 67 1HG2 VAL 67 -1.573 0.993 11.233 442 HG23 VAL 67 2HG2 VAL 67 -1.985 -0.352 10.171 443 H ALA 68 H ALA 68 -3.763 2.939 10.166 444 HA ALA 68 HA ALA 68 -6.045 4.359 9.143 445 HB1 ALA 68 1HB ALA 68 -5.191 5.267 11.117 446 HB2 ALA 68 2HB ALA 68 -3.525 5.180 10.544 447 HB3 ALA 68 3HB ALA 68 -4.630 6.373 9.864 Start of MODEL 16 1 H1 SER 1 1H SER 1 -3.120 14.908 -3.664 2 H2 SER 1 2H SER 1 -1.759 15.671 -4.333 3 H3 SER 1 3H SER 1 -1.560 14.351 -3.289 4 HA SER 1 HA SER 1 -3.151 13.307 -5.167 5 HB2 SER 1 1HB SER 1 -1.159 14.520 -6.938 6 HB3 SER 1 2HB SER 1 -2.897 14.313 -7.174 7 HG SER 1 HG SER 1 -3.042 16.368 -6.786 8 H ALA 2 H ALA 2 0.216 14.115 -5.950 9 HA ALA 2 HA ALA 2 0.930 11.315 -5.497 10 HB1 ALA 2 1HB ALA 2 3.020 13.131 -6.457 11 HB2 ALA 2 2HB ALA 2 2.490 11.572 -7.090 12 HB3 ALA 2 3HB ALA 2 1.600 13.039 -7.498 13 H THR 3 H THR 3 2.084 10.658 -3.789 14 HA THR 3 HA THR 3 2.527 12.552 -1.687 15 HB THR 3 HB THR 3 3.570 9.829 -1.317 16 HG1 THR 3 1HG THR 3 1.663 8.808 -1.615 17 HG21 THR 3 3HG2 THR 3 3.151 11.578 0.471 18 HG22 THR 3 1HG2 THR 3 2.428 9.995 0.766 19 HG23 THR 3 2HG2 THR 3 1.428 11.327 0.189 20 H THR 4 H THR 4 4.617 10.674 -3.822 21 HA THR 4 HA THR 4 6.876 10.551 -4.077 22 HB THR 4 HB THR 4 7.046 13.313 -2.872 23 HG1 THR 4 1HG THR 4 5.979 14.093 -4.531 24 HG21 THR 4 3HG2 THR 4 8.892 11.586 -4.151 25 HG22 THR 4 1HG2 THR 4 9.143 13.250 -3.624 26 HG23 THR 4 2HG2 THR 4 8.566 12.920 -5.258 27 H ILE 5 H ILE 5 6.756 8.939 -2.330 28 HA ILE 5 HA ILE 5 7.513 9.807 0.339 29 HB ILE 5 HB ILE 5 7.287 7.419 0.942 30 HG12 ILE 5 2HG1 ILE 5 6.031 6.659 -1.595 31 HG13 ILE 5 1HG1 ILE 5 7.761 6.948 -1.718 32 HG21 ILE 5 1HG2 ILE 5 4.795 7.833 -0.548 33 HG22 ILE 5 2HG2 ILE 5 5.064 7.600 1.179 34 HG23 ILE 5 3HG2 ILE 5 5.299 9.193 0.459 35 HD11 ILE 5 3HD1 ILE 5 6.510 4.624 -0.888 36 HD12 ILE 5 1HD1 ILE 5 8.230 5.016 -0.766 37 HD13 ILE 5 2HD1 ILE 5 7.146 5.349 0.589 38 H GLY 6 H GLY 6 9.255 8.622 1.499 39 HA2 GLY 6 1HA GLY 6 11.625 8.258 -0.156 40 HA3 GLY 6 2HA GLY 6 11.565 8.244 1.605 41 HA PRO 7 HA PRO 7 11.706 3.889 -0.099 42 HB2 PRO 7 1HB PRO 7 14.008 3.037 0.993 43 HB3 PRO 7 2HB PRO 7 13.977 3.992 -0.494 44 HG2 PRO 7 1HG PRO 7 14.549 4.871 2.310 45 HG3 PRO 7 2HG PRO 7 15.376 5.316 0.807 46 HD2 PRO 7 1HD PRO 7 13.495 6.885 2.033 47 HD3 PRO 7 2HD PRO 7 13.831 6.924 0.290 48 H ASN 8 H ASN 8 11.095 5.279 2.767 49 HA ASN 8 HA ASN 8 9.950 2.938 3.883 50 HB2 ASN 8 1HB ASN 8 12.555 2.964 4.480 51 HB3 ASN 8 2HB ASN 8 11.992 4.046 5.751 52 HD21 ASN 8 1HD2 ASN 8 12.749 2.384 7.192 53 HD22 ASN 8 2HD2 ASN 8 11.728 1.033 7.541 54 H THR 9 H THR 9 8.161 4.411 3.758 55 HA THR 9 HA THR 9 8.173 6.816 5.329 56 HB THR 9 HB THR 9 5.576 5.664 4.515 57 HG1 THR 9 1HG THR 9 7.597 6.397 2.638 58 HG21 THR 9 3HG2 THR 9 6.948 8.309 4.544 59 HG22 THR 9 1HG2 THR 9 5.349 7.861 5.142 60 HG23 THR 9 2HG2 THR 9 5.620 8.064 3.411 61 H CYS 10 H CYS 10 6.920 3.537 5.729 62 HA CYS 10 HA CYS 10 6.186 4.240 8.492 63 HB2 CYS 10 1HB CYS 10 4.909 2.166 6.698 64 HB3 CYS 10 2HB CYS 10 4.498 2.435 8.387 65 H SER 11 H SER 11 7.372 3.271 9.986 66 HA SER 11 HA SER 11 8.483 0.612 9.451 67 HB2 SER 11 1HB SER 11 10.425 2.244 10.853 68 HB3 SER 11 2HB SER 11 10.625 1.288 9.386 69 HG SER 11 HG SER 11 9.487 3.895 9.492 70 H ILE 12 H ILE 12 6.299 1.277 11.042 71 HA ILE 12 HA ILE 12 6.940 1.656 13.776 72 HB ILE 12 HB ILE 12 4.507 0.275 12.625 73 HG12 ILE 12 2HG1 ILE 12 3.977 2.947 13.457 74 HG13 ILE 12 1HG1 ILE 12 5.368 2.981 12.378 75 HG21 ILE 12 1HG2 ILE 12 3.909 1.742 14.959 76 HG22 ILE 12 2HG2 ILE 12 3.873 -0.007 14.730 77 HG23 ILE 12 3HG2 ILE 12 5.345 0.776 15.303 78 HD11 ILE 12 3HD1 ILE 12 2.570 2.126 11.827 79 HD12 ILE 12 1HD1 ILE 12 3.609 3.229 10.925 80 HD13 ILE 12 2HD1 ILE 12 3.897 1.490 10.855 81 H ASP 13 H ASP 13 6.119 -1.245 11.918 82 HA ASP 13 HA ASP 13 7.818 -2.914 13.531 83 HB2 ASP 13 1HB ASP 13 5.607 -2.684 14.818 84 HB3 ASP 13 2HB ASP 13 4.867 -3.581 13.498 85 H ASP 14 H ASP 14 5.170 -4.591 12.308 86 HA ASP 14 HA ASP 14 6.663 -5.535 10.020 87 HB2 ASP 14 1HB ASP 14 4.683 -6.603 11.703 88 HB3 ASP 14 2HB ASP 14 3.915 -6.444 10.128 89 H TYR 15 H TYR 15 4.507 -3.085 10.703 90 HA TYR 15 HA TYR 15 3.091 -3.023 8.208 91 HB2 TYR 15 1HB TYR 15 3.217 -0.754 10.180 92 HB3 TYR 15 2HB TYR 15 1.902 -1.196 9.093 93 HD1 TYR 15 2HD TYR 15 0.738 -3.461 9.550 94 HD2 TYR 15 1HD TYR 15 3.168 -1.452 12.403 95 HE1 TYR 15 2HE TYR 15 -0.319 -4.757 11.348 96 HE2 TYR 15 1HE TYR 15 2.117 -2.743 14.214 97 HH TYR 15 HH TYR 15 -0.717 -4.493 13.823 98 H LYS 16 H LYS 16 3.968 -2.373 6.417 99 HA LYS 16 HA LYS 16 6.215 -0.483 6.450 100 HB2 LYS 16 1HB LYS 16 5.244 -2.566 4.505 101 HB3 LYS 16 2HB LYS 16 6.338 -1.293 3.979 102 HG2 LYS 16 1HG LYS 16 6.838 -3.431 6.027 103 HG3 LYS 16 2HG LYS 16 7.666 -3.175 4.491 104 HD2 LYS 16 1HD LYS 16 8.301 -0.875 5.503 105 HD3 LYS 16 2HD LYS 16 7.887 -1.628 7.044 106 HE2 LYS 16 2HE LYS 16 9.767 -2.968 5.130 107 HE3 LYS 16 1HE LYS 16 10.341 -1.720 6.235 108 HZ1 LYS 16 3HZ LYS 16 8.848 -4.122 7.147 109 HZ2 LYS 16 1HZ LYS 16 9.728 -3.020 8.093 110 HZ3 LYS 16 2HZ LYS 16 10.538 -4.076 7.039 111 HA PRO 17 HA PRO 17 3.777 2.598 4.347 112 HB2 PRO 17 1HB PRO 17 5.240 3.467 2.251 113 HB3 PRO 17 2HB PRO 17 5.695 3.807 3.925 114 HG2 PRO 17 1HG PRO 17 6.771 1.741 2.049 115 HG3 PRO 17 2HG PRO 17 7.640 2.770 3.201 116 HD2 PRO 17 1HD PRO 17 7.001 0.157 3.685 117 HD3 PRO 17 2HD PRO 17 7.206 1.370 4.963 118 H TYR 18 H TYR 18 1.965 2.215 3.283 119 HA TYR 18 HA TYR 18 2.067 0.657 0.784 120 HB2 TYR 18 1HB TYR 18 0.400 0.433 3.219 121 HB3 TYR 18 2HB TYR 18 -0.466 0.277 1.695 122 HD1 TYR 18 1HD TYR 18 2.914 -0.918 2.780 123 HD2 TYR 18 2HD TYR 18 -0.966 -1.946 1.375 124 HE1 TYR 18 1HE TYR 18 3.591 -3.280 2.654 125 HE2 TYR 18 2HE TYR 18 -0.300 -4.308 1.240 126 HH TYR 18 HH TYR 18 1.807 -5.709 2.675 127 H CYS 19 H CYS 19 1.752 2.076 -0.840 128 HA CYS 19 HA CYS 19 0.012 4.367 -0.561 129 HB2 CYS 19 1HB CYS 19 1.329 3.224 -3.041 130 HB3 CYS 19 2HB CYS 19 0.531 4.788 -2.930 131 H CYS 20 H CYS 20 -2.085 3.815 -0.294 132 HA CYS 20 HA CYS 20 -3.103 1.475 -1.706 133 HB2 CYS 20 1HB CYS 20 -3.898 2.980 0.737 134 HB3 CYS 20 2HB CYS 20 -5.145 2.091 -0.130 135 H GLN 21 H GLN 21 -3.971 1.819 -3.634 136 HA GLN 21 HA GLN 21 -5.488 4.230 -4.183 137 HB2 GLN 21 1HB GLN 21 -5.430 1.848 -6.009 138 HB3 GLN 21 2HB GLN 21 -5.547 3.554 -6.416 139 HG2 GLN 21 1HG GLN 21 -3.051 2.623 -5.116 140 HG3 GLN 21 2HG GLN 21 -3.336 2.147 -6.789 141 HE21 GLN 21 1HE2 GLN 21 -4.736 4.484 -7.576 142 HE22 GLN 21 2HE2 GLN 21 -3.599 5.782 -7.627 143 H SER 22 H SER 22 -7.423 4.313 -3.220 144 HA SER 22 HA SER 22 -8.864 1.937 -2.520 145 HB2 SER 22 1HB SER 22 -10.423 4.359 -2.271 146 HB3 SER 22 2HB SER 22 -9.787 3.313 -1.000 147 HG SER 22 HG SER 22 -8.770 5.678 -2.052 148 H MET 23 H MET 23 -10.309 0.903 -3.721 149 HA MET 23 HA MET 23 -11.085 1.967 -6.284 150 HB2 MET 23 1HB MET 23 -11.910 -0.590 -4.894 151 HB3 MET 23 2HB MET 23 -12.268 -0.180 -6.566 152 HG2 MET 23 1HG MET 23 -9.482 -0.429 -5.464 153 HG3 MET 23 2HG MET 23 -10.353 -1.748 -6.243 154 HE1 MET 23 3HE MET 23 -7.436 0.201 -7.057 155 HE2 MET 23 1HE MET 23 -7.814 -1.496 -7.353 156 HE3 MET 23 2HE MET 23 -7.497 -0.415 -8.710 157 H SER 24 H SER 24 -12.407 3.659 -6.043 158 HA SER 24 HA SER 24 -14.359 4.052 -4.116 159 HB2 SER 24 1HB SER 24 -14.957 5.265 -6.716 160 HB3 SER 24 2HB SER 24 -14.618 6.035 -5.165 161 HG SER 24 HG SER 24 -12.485 6.006 -5.576 162 H GLY 25 H GLY 25 -16.080 2.870 -3.723 163 HA2 GLY 25 1HA GLY 25 -18.358 2.393 -4.534 164 HA3 GLY 25 2HA GLY 25 -17.614 1.824 -6.021 165 H SER 26 H SER 26 -15.697 0.174 -5.350 166 HA SER 26 HA SER 26 -17.180 -2.053 -4.251 167 HB2 SER 26 1HB SER 26 -14.579 -2.887 -4.895 168 HB3 SER 26 2HB SER 26 -16.034 -3.083 -5.873 169 HG SER 26 HG SER 26 -15.451 -1.446 -7.122 170 H ALA 27 H ALA 27 -14.771 0.156 -3.214 171 HA ALA 27 HA ALA 27 -13.794 0.520 -1.201 172 HB1 ALA 27 1HB ALA 27 -16.060 -1.150 -0.544 173 HB2 ALA 27 2HB ALA 27 -14.718 -1.398 0.572 174 HB3 ALA 27 3HB ALA 27 -15.376 0.221 0.329 175 H SER 28 H SER 28 -12.873 -1.632 -3.152 176 HA SER 28 HA SER 28 -11.271 -3.334 -1.445 177 HB2 SER 28 1HB SER 28 -10.631 -3.151 -4.329 178 HB3 SER 28 2HB SER 28 -10.895 -4.576 -3.320 179 HG SER 28 HG SER 28 -13.128 -4.200 -3.452 180 H LEU 29 H LEU 29 -9.084 -3.093 -1.061 181 HA LEU 29 HA LEU 29 -8.042 -0.435 -1.679 182 HB2 LEU 29 1HB LEU 29 -8.042 -1.955 0.637 183 HB3 LEU 29 2HB LEU 29 -6.399 -2.112 0.045 184 HG LEU 29 HG LEU 29 -5.959 0.166 0.271 185 HD11 LEU 29 1HD1 LEU 29 -7.861 1.780 0.863 186 HD12 LEU 29 2HD1 LEU 29 -7.727 1.240 -0.811 187 HD13 LEU 29 3HD1 LEU 29 -8.936 0.522 0.254 188 HD21 LEU 29 3HD2 LEU 29 -7.533 0.502 2.578 189 HD22 LEU 29 1HD2 LEU 29 -7.166 -1.218 2.456 190 HD23 LEU 29 2HD2 LEU 29 -5.856 -0.037 2.471 191 H GLY 30 H GLY 30 -7.209 -0.535 -3.695 192 HA2 GLY 30 1HA GLY 30 -5.459 -2.713 -4.499 193 HA3 GLY 30 2HA GLY 30 -5.893 -1.304 -5.466 194 H CYS 31 H CYS 31 -3.925 -2.389 -2.758 195 HA CYS 31 HA CYS 31 -2.563 0.163 -2.632 196 HB2 CYS 31 1HB CYS 31 -3.265 -1.664 -0.740 197 HB3 CYS 31 2HB CYS 31 -1.566 -2.053 -0.980 198 H VAL 32 H VAL 32 -0.407 0.510 -2.966 199 HA VAL 32 HA VAL 32 1.154 -1.710 -4.121 200 HB VAL 32 HB VAL 32 1.864 1.132 -4.740 201 HG11 VAL 32 1HG1 VAL 32 3.458 -0.034 -5.780 202 HG12 VAL 32 2HG1 VAL 32 2.550 -1.541 -5.669 203 HG13 VAL 32 3HG1 VAL 32 2.223 -0.410 -6.983 204 HG21 VAL 32 3HG2 VAL 32 -0.472 1.112 -5.318 205 HG22 VAL 32 1HG2 VAL 32 0.479 1.025 -6.800 206 HG23 VAL 32 2HG2 VAL 32 -0.291 -0.427 -6.161 207 H VAL 33 H VAL 33 3.026 -2.154 -3.095 208 HA VAL 33 HA VAL 33 3.612 -0.985 -0.598 209 HB VAL 33 HB VAL 33 5.623 -2.519 -2.235 210 HG11 VAL 33 1HG1 VAL 33 5.609 -3.333 0.447 211 HG12 VAL 33 2HG1 VAL 33 6.818 -2.344 -0.371 212 HG13 VAL 33 3HG1 VAL 33 5.475 -1.575 0.472 213 HG21 VAL 33 3HG2 VAL 33 4.293 -4.297 -2.299 214 HG22 VAL 33 1HG2 VAL 33 4.243 -4.296 -0.535 215 HG23 VAL 33 2HG2 VAL 33 3.023 -3.411 -1.452 216 H GLY 34 H GLY 34 4.636 0.823 -0.114 217 HA2 GLY 34 1HA GLY 34 5.684 2.494 -2.185 218 HA3 GLY 34 2HA GLY 34 5.674 2.844 -0.462 219 H VAL 35 H VAL 35 7.712 2.859 -2.784 220 HA VAL 35 HA VAL 35 9.884 1.695 -1.191 221 HB VAL 35 HB VAL 35 10.850 1.357 -3.723 222 HG11 VAL 35 1HG1 VAL 35 11.178 -0.267 -2.039 223 HG12 VAL 35 2HG1 VAL 35 9.448 -0.577 -1.895 224 HG13 VAL 35 3HG1 VAL 35 10.318 -1.087 -3.342 225 HG21 VAL 35 3HG2 VAL 35 8.019 1.499 -4.015 226 HG22 VAL 35 1HG2 VAL 35 9.242 1.174 -5.243 227 HG23 VAL 35 2HG2 VAL 35 8.539 -0.158 -4.326 228 H ILE 36 H ILE 36 11.621 2.431 -3.593 229 HA ILE 36 HA ILE 36 12.302 5.003 -2.523 230 HB ILE 36 HB ILE 36 13.575 3.739 -4.939 231 HG12 ILE 36 2HG1 ILE 36 15.106 3.074 -2.682 232 HG13 ILE 36 1HG1 ILE 36 13.444 2.671 -2.258 233 HG21 ILE 36 1HG2 ILE 36 14.124 6.009 -3.259 234 HG22 ILE 36 2HG2 ILE 36 15.483 4.885 -3.268 235 HG23 ILE 36 3HG2 ILE 36 14.865 5.532 -4.787 236 HD11 ILE 36 3HD1 ILE 36 15.255 1.439 -4.216 237 HD12 ILE 36 1HD1 ILE 36 13.972 0.724 -3.240 238 HD13 ILE 36 2HD1 ILE 36 13.572 1.600 -4.717 239 H GLY 37 H GLY 37 11.321 6.795 -3.153 240 HA2 GLY 37 1HA GLY 37 10.767 8.532 -4.549 241 HA3 GLY 37 2HA GLY 37 11.474 7.625 -5.876 242 H SER 38 H SER 38 8.965 6.191 -3.961 243 HA SER 38 HA SER 38 7.300 5.815 -6.221 244 HB2 SER 38 1HB SER 38 6.624 5.459 -3.289 245 HB3 SER 38 2HB SER 38 5.729 4.786 -4.655 246 HG SER 38 HG SER 38 7.677 3.648 -5.206 247 H GLN 39 H GLN 39 6.212 7.360 -7.171 248 HA GLN 39 HA GLN 39 5.114 9.573 -5.602 249 HB2 GLN 39 1HB GLN 39 6.362 9.465 -8.074 250 HB3 GLN 39 2HB GLN 39 4.661 9.636 -8.484 251 HG2 GLN 39 1HG GLN 39 4.627 11.774 -7.881 252 HG3 GLN 39 2HG GLN 39 5.465 11.445 -6.365 253 HE21 GLN 39 1HE2 GLN 39 6.856 13.122 -6.419 254 HE22 GLN 39 2HE2 GLN 39 8.105 13.310 -7.610 255 H CYS 40 H CYS 40 3.728 7.570 -4.829 256 HA CYS 40 HA CYS 40 1.656 6.623 -6.487 257 HB2 CYS 40 1HB CYS 40 0.625 6.430 -3.950 258 HB3 CYS 40 2HB CYS 40 1.670 5.234 -4.709 259 H GLY 41 H GLY 41 -0.198 7.503 -7.113 260 HA2 GLY 41 1HA GLY 41 -0.881 10.168 -6.135 261 HA3 GLY 41 2HA GLY 41 -1.585 9.356 -7.527 262 H ALA 42 H ALA 42 -1.278 8.606 -4.076 263 HA ALA 42 HA ALA 42 -4.111 8.654 -3.651 264 HB1 ALA 42 1HB ALA 42 -4.512 6.556 -4.317 265 HB2 ALA 42 2HB ALA 42 -2.796 6.146 -4.356 266 HB3 ALA 42 3HB ALA 42 -3.686 6.069 -2.836 267 H SER 43 H SER 43 -4.399 7.297 -1.376 268 HA SER 43 HA SER 43 -2.787 8.814 0.463 269 HB2 SER 43 1HB SER 43 -4.512 6.823 1.688 270 HB3 SER 43 2HB SER 43 -4.584 8.583 1.792 271 HG SER 43 HG SER 43 -6.282 7.061 0.563 272 H VAL 44 H VAL 44 -1.187 8.075 1.782 273 HA VAL 44 HA VAL 44 -0.295 5.306 1.342 274 HB VAL 44 HB VAL 44 1.261 7.562 2.619 275 HG11 VAL 44 1HG1 VAL 44 1.879 5.124 3.063 276 HG12 VAL 44 2HG1 VAL 44 2.355 5.061 1.366 277 HG13 VAL 44 3HG1 VAL 44 3.154 6.185 2.465 278 HG21 VAL 44 3HG2 VAL 44 2.400 7.841 0.502 279 HG22 VAL 44 1HG2 VAL 44 1.418 6.571 -0.226 280 HG23 VAL 44 2HG2 VAL 44 0.667 8.084 0.282 281 H LYS 45 H LYS 45 -0.512 3.854 2.891 282 HA LYS 45 HA LYS 45 -0.946 4.784 5.655 283 HB2 LYS 45 1HB LYS 45 -2.218 2.479 4.171 284 HB3 LYS 45 2HB LYS 45 -2.293 2.653 5.919 285 HG2 LYS 45 1HG LYS 45 -3.862 4.248 5.823 286 HG3 LYS 45 2HG LYS 45 -3.136 5.023 4.414 287 HD2 LYS 45 1HD LYS 45 -5.177 4.208 3.614 288 HD3 LYS 45 2HD LYS 45 -4.006 2.991 3.103 289 HE2 LYS 45 2HE LYS 45 -6.018 1.961 4.025 290 HE3 LYS 45 1HE LYS 45 -4.600 1.597 5.007 291 HZ1 LYS 45 3HZ LYS 45 -6.960 2.586 5.924 292 HZ2 LYS 45 1HZ LYS 45 -5.973 3.964 5.869 293 HZ3 LYS 45 2HZ LYS 45 -5.485 2.609 6.766 294 H CYS 46 H CYS 46 -0.661 2.605 7.099 295 HA CYS 46 HA CYS 46 1.884 1.391 6.257 296 HB2 CYS 46 1HB CYS 46 1.210 1.826 9.148 297 HB3 CYS 46 2HB CYS 46 2.787 1.598 8.399 298 H CYS 47 H CYS 47 1.241 -0.570 5.614 299 HA CYS 47 HA CYS 47 -0.369 -2.167 7.489 300 HB2 CYS 47 1HB CYS 47 -0.677 -2.713 4.587 301 HB3 CYS 47 2HB CYS 47 -1.862 -2.810 5.883 302 H LYS 48 H LYS 48 -0.261 -4.590 6.767 303 HA LYS 48 HA LYS 48 2.498 -5.209 5.922 304 HB2 LYS 48 1HB LYS 48 2.343 -5.563 8.327 305 HB3 LYS 48 2HB LYS 48 0.865 -6.496 8.126 306 HG2 LYS 48 1HG LYS 48 2.818 -7.749 6.534 307 HG3 LYS 48 2HG LYS 48 3.579 -7.383 8.084 308 HD2 LYS 48 1HD LYS 48 1.917 -8.585 9.285 309 HD3 LYS 48 2HD LYS 48 0.890 -8.722 7.854 310 HE2 LYS 48 2HE LYS 48 2.919 -9.982 6.835 311 HE3 LYS 48 1HE LYS 48 3.429 -10.169 8.513 312 HZ1 LYS 48 3HZ LYS 48 0.766 -11.003 7.491 313 HZ2 LYS 48 1HZ LYS 48 1.431 -11.339 9.017 314 HZ3 LYS 48 2HZ LYS 48 2.097 -12.046 7.627 315 H ASP 49 H ASP 49 -0.292 -7.141 6.804 316 HA ASP 49 HA ASP 49 -1.702 -8.484 5.689 317 HB2 ASP 49 1HB ASP 49 -1.097 -6.562 3.435 318 HB3 ASP 49 2HB ASP 49 -2.430 -7.714 3.445 319 H ASP 50 H ASP 50 -1.129 -8.559 2.555 320 HA ASP 50 HA ASP 50 0.118 -11.171 2.827 321 HB2 ASP 50 1HB ASP 50 -1.959 -10.117 1.258 322 HB3 ASP 50 2HB ASP 50 -0.659 -10.498 0.132 323 H VAL 51 H VAL 51 1.806 -8.817 3.059 324 HA VAL 51 HA VAL 51 3.186 -8.264 0.670 325 HB VAL 51 HB VAL 51 3.328 -6.791 2.617 326 HG11 VAL 51 1HG1 VAL 51 4.840 -7.392 4.504 327 HG12 VAL 51 2HG1 VAL 51 3.353 -8.339 4.434 328 HG13 VAL 51 3HG1 VAL 51 4.874 -9.043 3.885 329 HG21 VAL 51 3HG2 VAL 51 5.335 -7.359 0.861 330 HG22 VAL 51 1HG2 VAL 51 5.322 -6.001 1.986 331 HG23 VAL 51 2HG2 VAL 51 6.159 -7.493 2.415 332 H THR 52 H THR 52 3.668 -10.737 3.131 333 HA THR 52 HA THR 52 5.974 -11.775 1.650 334 HB THR 52 HB THR 52 5.642 -13.369 3.897 335 HG1 THR 52 1HG THR 52 5.177 -11.998 5.584 336 HG21 THR 52 3HG2 THR 52 7.582 -11.736 2.788 337 HG22 THR 52 1HG2 THR 52 7.772 -12.764 4.209 338 HG23 THR 52 2HG2 THR 52 7.342 -11.065 4.400 339 H ASN 53 H ASN 53 3.105 -12.042 0.829 340 HA ASN 53 HA ASN 53 2.990 -14.979 0.776 341 HB2 ASN 53 1HB ASN 53 1.408 -13.775 2.453 342 HB3 ASN 53 2HB ASN 53 0.482 -13.352 1.017 343 HD21 ASN 53 1HD2 ASN 53 -1.242 -14.571 1.895 344 HD22 ASN 53 2HD2 ASN 53 -1.248 -16.306 1.787 345 H THR 54 H THR 54 0.396 -13.038 -0.499 346 HA THR 54 HA THR 54 1.256 -13.837 -3.202 347 HB THR 54 HB THR 54 -1.567 -13.097 -2.811 348 HG1 THR 54 1HG THR 54 -1.233 -14.206 -0.867 349 HG21 THR 54 3HG2 THR 54 -0.609 -14.056 -4.898 350 HG22 THR 54 1HG2 THR 54 -1.946 -15.000 -4.239 351 HG23 THR 54 2HG2 THR 54 -0.284 -15.548 -4.016 352 H GLY 55 H GLY 55 2.316 -11.484 -2.218 353 HA2 GLY 55 1HA GLY 55 1.136 -9.589 -4.089 354 HA3 GLY 55 2HA GLY 55 1.211 -9.088 -2.405 355 H ASN 56 H ASN 56 2.587 -8.223 -4.989 356 HA ASN 56 HA ASN 56 5.083 -7.605 -3.682 357 HB2 ASN 56 1HB ASN 56 5.304 -9.863 -5.021 358 HB3 ASN 56 2HB ASN 56 5.387 -8.792 -6.416 359 HD21 ASN 56 1HD2 ASN 56 7.518 -10.265 -6.070 360 HD22 ASN 56 2HD2 ASN 56 8.835 -9.362 -5.394 361 H SER 57 H SER 57 3.394 -7.557 -6.814 362 HA SER 57 HA SER 57 4.387 -4.862 -7.322 363 HB2 SER 57 1HB SER 57 2.537 -5.711 -9.312 364 HB3 SER 57 2HB SER 57 4.289 -5.550 -9.459 365 HG SER 57 HG SER 57 4.452 -7.643 -9.418 366 H PHE 58 H PHE 58 1.421 -6.619 -6.663 367 HA PHE 58 HA PHE 58 0.074 -4.071 -6.140 368 HB2 PHE 58 1HB PHE 58 -0.423 -5.450 -8.447 369 HB3 PHE 58 2HB PHE 58 -1.644 -6.117 -7.366 370 HD1 PHE 58 1HD PHE 58 -0.345 -2.674 -7.199 371 HD2 PHE 58 2HD PHE 58 -3.553 -5.189 -8.405 372 HE1 PHE 58 1HE PHE 58 -1.741 -0.693 -7.591 373 HE2 PHE 58 2HE PHE 58 -4.961 -3.213 -8.799 374 HZ PHE 58 HZ PHE 58 -4.054 -0.960 -8.394 375 H LEU 59 H LEU 59 -0.918 -4.072 -4.262 376 HA LEU 59 HA LEU 59 -1.438 -6.668 -2.965 377 HB2 LEU 59 1HB LEU 59 -0.240 -4.144 -2.015 378 HB3 LEU 59 2HB LEU 59 -1.405 -4.862 -0.922 379 HG LEU 59 HG LEU 59 0.819 -5.566 -0.318 380 HD11 LEU 59 1HD1 LEU 59 0.337 -7.767 0.034 381 HD12 LEU 59 2HD1 LEU 59 -1.257 -7.193 -0.456 382 HD13 LEU 59 3HD1 LEU 59 -0.223 -8.021 -1.618 383 HD21 LEU 59 3HD2 LEU 59 1.935 -7.175 -2.062 384 HD22 LEU 59 1HD2 LEU 59 1.021 -6.200 -3.214 385 HD23 LEU 59 2HD2 LEU 59 2.192 -5.432 -2.141 386 H ILE 60 H ILE 60 -3.552 -6.838 -3.766 387 HA ILE 60 HA ILE 60 -5.479 -4.763 -3.222 388 HB ILE 60 HB ILE 60 -6.017 -7.628 -4.045 389 HG12 ILE 60 2HG1 ILE 60 -6.377 -5.930 -6.244 390 HG13 ILE 60 1HG1 ILE 60 -4.860 -5.415 -5.518 391 HG21 ILE 60 1HG2 ILE 60 -7.699 -5.130 -4.272 392 HG22 ILE 60 2HG2 ILE 60 -8.139 -6.722 -4.892 393 HG23 ILE 60 3HG2 ILE 60 -7.972 -6.466 -3.154 394 HD11 ILE 60 3HD1 ILE 60 -4.010 -7.695 -5.669 395 HD12 ILE 60 1HD1 ILE 60 -5.533 -8.214 -6.395 396 HD13 ILE 60 2HD1 ILE 60 -4.493 -7.071 -7.245 397 H ILE 61 H ILE 61 -5.205 -4.502 -1.008 398 HA ILE 61 HA ILE 61 -5.533 -6.822 0.732 399 HB ILE 61 HB ILE 61 -4.835 -5.140 2.522 400 HG12 ILE 61 2HG1 ILE 61 -3.773 -3.544 0.207 401 HG13 ILE 61 1HG1 ILE 61 -5.363 -3.193 0.873 402 HG21 ILE 61 1HG2 ILE 61 -3.354 -6.849 1.591 403 HG22 ILE 61 2HG2 ILE 61 -2.908 -5.749 0.286 404 HG23 ILE 61 3HG2 ILE 61 -2.478 -5.360 1.952 405 HD11 ILE 61 3HD1 ILE 61 -2.708 -2.576 1.911 406 HD12 ILE 61 1HD1 ILE 61 -4.261 -1.797 2.216 407 HD13 ILE 61 2HD1 ILE 61 -3.810 -3.248 3.113 408 H ASN 62 H ASN 62 -6.631 -6.319 2.871 409 HA ASN 62 HA ASN 62 -9.192 -4.958 2.333 410 HB2 ASN 62 1HB ASN 62 -8.852 -7.511 3.124 411 HB3 ASN 62 2HB ASN 62 -8.867 -6.731 4.700 412 HD21 ASN 62 1HD2 ASN 62 -10.695 -7.534 1.884 413 HD22 ASN 62 2HD2 ASN 62 -12.251 -7.092 2.510 414 H ALA 63 H ALA 63 -6.342 -4.274 3.558 415 HA ALA 63 HA ALA 63 -5.442 -2.927 5.142 416 HB1 ALA 63 1HB ALA 63 -8.126 -1.839 4.703 417 HB2 ALA 63 2HB ALA 63 -7.410 -1.404 6.256 418 HB3 ALA 63 3HB ALA 63 -6.562 -1.023 4.756 419 H ALA 64 H ALA 64 -6.702 -5.557 5.852 420 HA ALA 64 HA ALA 64 -7.759 -5.235 8.509 421 HB1 ALA 64 1HB ALA 64 -8.454 -7.060 6.954 422 HB2 ALA 64 2HB ALA 64 -6.858 -7.782 7.164 423 HB3 ALA 64 3HB ALA 64 -7.944 -7.626 8.545 424 H ASN 65 H ASN 65 -4.680 -5.729 7.055 425 HA ASN 65 HA ASN 65 -3.464 -6.154 9.705 426 HB2 ASN 65 1HB ASN 65 -2.164 -6.549 7.005 427 HB3 ASN 65 2HB ASN 65 -1.531 -7.049 8.572 428 HD21 ASN 65 1HD2 ASN 65 -3.812 -7.690 6.045 429 HD22 ASN 65 2HD2 ASN 65 -4.219 -9.293 6.549 430 H CYS 66 H CYS 66 -4.427 -3.693 8.151 431 HA CYS 66 HA CYS 66 -1.955 -2.149 8.080 432 HB2 CYS 66 1HB CYS 66 -3.889 -2.034 6.327 433 HB3 CYS 66 2HB CYS 66 -4.674 -1.008 7.525 434 H VAL 67 H VAL 67 -1.452 -0.582 9.541 435 HA VAL 67 HA VAL 67 -3.057 -0.604 11.992 436 HB VAL 67 HB VAL 67 -0.502 -1.065 11.870 437 HG11 VAL 67 1HG1 VAL 67 0.925 0.589 11.422 438 HG12 VAL 67 2HG1 VAL 67 -0.465 1.465 10.779 439 HG13 VAL 67 3HG1 VAL 67 0.051 1.728 12.445 440 HG21 VAL 67 3HG2 VAL 67 -0.426 0.584 14.064 441 HG22 VAL 67 1HG2 VAL 67 -2.152 0.281 13.855 442 HG23 VAL 67 2HG2 VAL 67 -1.035 -1.071 14.037 443 H ALA 68 H ALA 68 -2.654 1.303 9.284 444 HA ALA 68 HA ALA 68 -3.628 3.680 10.711 445 HB1 ALA 68 1HB ALA 68 -1.472 3.536 8.624 446 HB2 ALA 68 2HB ALA 68 -2.363 5.024 8.945 447 HB3 ALA 68 3HB ALA 68 -1.406 4.274 10.225 Start of MODEL 17 1 H1 SER 1 1H SER 1 -2.295 15.066 -5.359 2 H2 SER 1 2H SER 1 -3.089 15.248 -6.846 3 H3 SER 1 3H SER 1 -2.324 16.578 -6.122 4 HA SER 1 HA SER 1 -1.268 14.877 -7.983 5 HB2 SER 1 1HB SER 1 0.723 16.368 -6.489 6 HB3 SER 1 2HB SER 1 0.126 16.632 -8.126 7 HG SER 1 HG SER 1 -0.485 18.421 -7.037 8 H ALA 2 H ALA 2 1.151 14.073 -7.677 9 HA ALA 2 HA ALA 2 1.005 12.038 -5.590 10 HB1 ALA 2 1HB ALA 2 2.227 12.239 -8.223 11 HB2 ALA 2 2HB ALA 2 3.307 11.549 -7.013 12 HB3 ALA 2 3HB ALA 2 1.731 10.816 -7.309 13 H THR 3 H THR 3 1.854 12.522 -3.686 14 HA THR 3 HA THR 3 3.854 14.557 -3.376 15 HB THR 3 HB THR 3 3.066 12.602 -1.234 16 HG1 THR 3 1HG THR 3 1.587 14.877 -2.145 17 HG21 THR 3 3HG2 THR 3 3.122 15.241 -0.297 18 HG22 THR 3 1HG2 THR 3 4.514 15.089 -1.369 19 HG23 THR 3 2HG2 THR 3 4.320 13.979 -0.012 20 H THR 4 H THR 4 3.751 11.081 -3.516 21 HA THR 4 HA THR 4 5.364 9.497 -3.709 22 HB THR 4 HB THR 4 7.529 11.587 -3.745 23 HG1 THR 4 1HG THR 4 6.175 12.430 -5.247 24 HG21 THR 4 3HG2 THR 4 7.926 9.040 -3.857 25 HG22 THR 4 1HG2 THR 4 8.724 10.056 -5.056 26 HG23 THR 4 2HG2 THR 4 7.272 9.155 -5.490 27 H ILE 5 H ILE 5 7.383 8.662 -2.521 28 HA ILE 5 HA ILE 5 7.286 9.568 0.274 29 HB ILE 5 HB ILE 5 7.799 7.153 0.853 30 HG12 ILE 5 2HG1 ILE 5 6.746 6.645 -1.932 31 HG13 ILE 5 1HG1 ILE 5 8.433 6.470 -1.447 32 HG21 ILE 5 1HG2 ILE 5 5.583 8.281 1.128 33 HG22 ILE 5 2HG2 ILE 5 5.106 7.584 -0.421 34 HG23 ILE 5 3HG2 ILE 5 5.501 6.530 0.936 35 HD11 ILE 5 3HD1 ILE 5 6.508 5.002 0.207 36 HD12 ILE 5 1HD1 ILE 5 6.629 4.463 -1.468 37 HD13 ILE 5 2HD1 ILE 5 8.067 4.501 -0.446 38 H GLY 6 H GLY 6 9.216 9.776 1.317 39 HA2 GLY 6 1HA GLY 6 11.613 9.755 -0.279 40 HA3 GLY 6 2HA GLY 6 11.488 10.211 1.414 41 HA PRO 7 HA PRO 7 13.665 6.161 1.174 42 HB2 PRO 7 1HB PRO 7 15.718 6.767 2.803 43 HB3 PRO 7 2HB PRO 7 15.697 7.248 1.102 44 HG2 PRO 7 1HG PRO 7 15.085 8.870 3.541 45 HG3 PRO 7 2HG PRO 7 15.990 9.329 2.086 46 HD2 PRO 7 1HD PRO 7 13.369 10.006 2.544 47 HD3 PRO 7 2HD PRO 7 14.088 9.859 0.928 48 H ASN 8 H ASN 8 12.447 8.054 3.792 49 HA ASN 8 HA ASN 8 11.992 5.620 5.330 50 HB2 ASN 8 1HB ASN 8 14.128 6.804 6.141 51 HB3 ASN 8 2HB ASN 8 13.058 8.068 6.735 52 HD21 ASN 8 1HD2 ASN 8 14.617 5.261 7.520 53 HD22 ASN 8 2HD2 ASN 8 13.691 4.801 8.907 54 H THR 9 H THR 9 9.872 6.090 4.407 55 HA THR 9 HA THR 9 8.447 8.300 5.667 56 HB THR 9 HB THR 9 6.595 6.790 4.261 57 HG1 THR 9 1HG THR 9 8.619 7.030 2.382 58 HG21 THR 9 3HG2 THR 9 7.987 9.331 3.987 59 HG22 THR 9 1HG2 THR 9 6.292 8.932 3.707 60 HG23 THR 9 2HG2 THR 9 7.484 8.651 2.438 61 H CYS 10 H CYS 10 6.898 5.281 4.970 62 HA CYS 10 HA CYS 10 6.092 5.040 7.759 63 HB2 CYS 10 1HB CYS 10 4.742 4.693 5.362 64 HB3 CYS 10 2HB CYS 10 5.047 3.045 5.895 65 H SER 11 H SER 11 8.101 4.301 8.578 66 HA SER 11 HA SER 11 8.697 1.503 7.885 67 HB2 SER 11 1HB SER 11 10.743 3.553 8.766 68 HB3 SER 11 2HB SER 11 11.049 1.914 8.192 69 HG SER 11 HG SER 11 9.684 2.980 6.288 70 H ILE 12 H ILE 12 7.190 0.997 9.584 71 HA ILE 12 HA ILE 12 8.141 1.598 12.292 72 HB ILE 12 HB ILE 12 5.618 0.095 12.008 73 HG12 ILE 12 2HG1 ILE 12 5.863 2.961 11.070 74 HG13 ILE 12 1HG1 ILE 12 5.383 1.579 10.089 75 HG21 ILE 12 1HG2 ILE 12 5.194 2.367 13.520 76 HG22 ILE 12 2HG2 ILE 12 5.639 0.775 14.135 77 HG23 ILE 12 3HG2 ILE 12 6.888 1.978 13.821 78 HD11 ILE 12 3HD1 ILE 12 3.827 3.183 12.005 79 HD12 ILE 12 1HD1 ILE 12 3.322 2.361 10.530 80 HD13 ILE 12 2HD1 ILE 12 3.524 1.447 12.024 81 H ASP 13 H ASP 13 6.950 -0.588 13.594 82 HA ASP 13 HA ASP 13 9.027 -2.409 13.651 83 HB2 ASP 13 1HB ASP 13 7.760 -2.508 15.555 84 HB3 ASP 13 2HB ASP 13 6.240 -2.357 14.685 85 H ASP 14 H ASP 14 5.777 -3.087 12.281 86 HA ASP 14 HA ASP 14 7.112 -4.704 10.240 87 HB2 ASP 14 1HB ASP 14 6.231 -6.093 12.246 88 HB3 ASP 14 2HB ASP 14 4.638 -5.780 11.563 89 H TYR 15 H TYR 15 5.731 -2.096 10.331 90 HA TYR 15 HA TYR 15 3.550 -2.683 8.447 91 HB2 TYR 15 1HB TYR 15 4.013 -0.177 10.084 92 HB3 TYR 15 2HB TYR 15 2.678 -0.438 8.966 93 HD1 TYR 15 1HD TYR 15 0.976 -2.188 9.479 94 HD2 TYR 15 2HD TYR 15 3.947 -1.042 12.297 95 HE1 TYR 15 1HE TYR 15 -0.337 -3.236 11.272 96 HE2 TYR 15 2HE TYR 15 2.642 -2.087 14.103 97 HH TYR 15 HH TYR 15 0.114 -2.648 14.467 98 H LYS 16 H LYS 16 3.769 -2.082 6.403 99 HA LYS 16 HA LYS 16 6.280 -0.734 5.697 100 HB2 LYS 16 1HB LYS 16 4.612 -2.759 4.194 101 HB3 LYS 16 2HB LYS 16 5.989 -1.921 3.492 102 HG2 LYS 16 1HG LYS 16 7.209 -3.637 4.212 103 HG3 LYS 16 2HG LYS 16 7.019 -2.950 5.826 104 HD2 LYS 16 1HD LYS 16 4.845 -4.295 5.947 105 HD3 LYS 16 2HD LYS 16 5.453 -5.167 4.537 106 HE2 LYS 16 2HE LYS 16 7.117 -6.191 5.718 107 HE3 LYS 16 1HE LYS 16 7.282 -4.851 6.851 108 HZ1 LYS 16 3HZ LYS 16 5.205 -6.968 6.841 109 HZ2 LYS 16 1HZ LYS 16 5.080 -5.559 7.774 110 HZ3 LYS 16 2HZ LYS 16 6.354 -6.644 8.046 111 HA PRO 17 HA PRO 17 3.990 2.484 3.724 112 HB2 PRO 17 1HB PRO 17 5.960 2.915 1.676 113 HB3 PRO 17 2HB PRO 17 5.733 3.818 3.174 114 HG2 PRO 17 1HG PRO 17 7.913 2.220 2.616 115 HG3 PRO 17 2HG PRO 17 7.388 2.679 4.243 116 HD2 PRO 17 1HD PRO 17 6.952 0.132 2.753 117 HD3 PRO 17 2HD PRO 17 7.256 0.391 4.484 118 H TYR 18 H TYR 18 2.208 1.783 2.670 119 HA TYR 18 HA TYR 18 2.599 0.614 -0.003 120 HB2 TYR 18 1HB TYR 18 0.419 0.225 2.039 121 HB3 TYR 18 2HB TYR 18 0.210 -0.227 0.350 122 HD1 TYR 18 2HD TYR 18 2.127 -1.774 -0.620 123 HD2 TYR 18 1HD TYR 18 1.224 -1.355 3.520 124 HE1 TYR 18 2HE TYR 18 3.186 -3.950 -0.171 125 HE2 TYR 18 1HE TYR 18 2.281 -3.526 3.972 126 HH TYR 18 HH TYR 18 2.735 -5.784 2.096 127 H CYS 19 H CYS 19 1.893 1.717 -1.706 128 HA CYS 19 HA CYS 19 0.542 4.238 -1.337 129 HB2 CYS 19 1HB CYS 19 1.495 2.732 -3.779 130 HB3 CYS 19 2HB CYS 19 0.611 4.254 -3.889 131 H CYS 20 H CYS 20 -1.319 3.249 -0.283 132 HA CYS 20 HA CYS 20 -3.044 1.526 -1.798 133 HB2 CYS 20 1HB CYS 20 -3.289 2.872 0.886 134 HB3 CYS 20 2HB CYS 20 -4.595 1.918 0.190 135 H GLN 21 H GLN 21 -4.235 2.273 -3.405 136 HA GLN 21 HA GLN 21 -5.244 4.969 -3.451 137 HB2 GLN 21 1HB GLN 21 -5.780 2.570 -5.215 138 HB3 GLN 21 2HB GLN 21 -6.488 4.155 -5.487 139 HG2 GLN 21 1HG GLN 21 -3.541 3.554 -5.461 140 HG3 GLN 21 2HG GLN 21 -4.534 3.729 -6.906 141 HE21 GLN 21 1HE2 GLN 21 -2.218 5.255 -6.148 142 HE22 GLN 21 2HE2 GLN 21 -2.733 6.904 -6.019 143 H SER 22 H SER 22 -7.259 5.647 -2.893 144 HA SER 22 HA SER 22 -8.743 3.921 -1.137 145 HB2 SER 22 1HB SER 22 -9.734 6.625 -1.933 146 HB3 SER 22 2HB SER 22 -9.724 5.854 -0.344 147 HG SER 22 HG SER 22 -7.279 6.047 -0.699 148 H MET 23 H MET 23 -9.976 2.427 -2.051 149 HA MET 23 HA MET 23 -11.303 2.846 -4.572 150 HB2 MET 23 1HB MET 23 -11.966 0.531 -2.809 151 HB3 MET 23 2HB MET 23 -11.782 0.588 -4.554 152 HG2 MET 23 1HG MET 23 -9.287 1.189 -3.277 153 HG3 MET 23 2HG MET 23 -9.941 -0.331 -2.667 154 HE1 MET 23 3HE MET 23 -10.403 -2.355 -3.934 155 HE2 MET 23 1HE MET 23 -9.403 -2.822 -5.309 156 HE3 MET 23 2HE MET 23 -8.646 -2.370 -3.783 157 H SER 24 H SER 24 -13.348 3.482 -4.889 158 HA SER 24 HA SER 24 -14.817 4.482 -2.631 159 HB2 SER 24 1HB SER 24 -15.955 4.417 -5.396 160 HB3 SER 24 2HB SER 24 -16.048 5.686 -4.175 161 HG SER 24 HG SER 24 -14.057 6.370 -4.694 162 H GLY 25 H GLY 25 -15.176 1.822 -4.934 163 HA2 GLY 25 1HA GLY 25 -17.589 0.976 -3.447 164 HA3 GLY 25 2HA GLY 25 -17.309 0.631 -5.147 165 H SER 26 H SER 26 -15.044 0.325 -2.444 166 HA SER 26 HA SER 26 -15.314 -2.556 -2.450 167 HB2 SER 26 1HB SER 26 -12.588 -1.367 -3.002 168 HB3 SER 26 2HB SER 26 -13.051 -3.068 -3.028 169 HG SER 26 HG SER 26 -14.630 -1.826 -4.735 170 H ALA 27 H ALA 27 -14.616 -3.493 -0.550 171 HA ALA 27 HA ALA 27 -14.145 -1.674 1.653 172 HB1 ALA 27 1HB ALA 27 -15.170 -4.334 1.339 173 HB2 ALA 27 2HB ALA 27 -13.891 -4.326 2.553 174 HB3 ALA 27 3HB ALA 27 -15.283 -3.253 2.729 175 H SER 28 H SER 28 -12.301 -3.669 -0.434 176 HA SER 28 HA SER 28 -9.993 -3.754 1.327 177 HB2 SER 28 1HB SER 28 -9.309 -4.714 -1.227 178 HB3 SER 28 2HB SER 28 -9.695 -5.676 0.201 179 HG SER 28 HG SER 28 -11.020 -5.728 -1.984 180 H LEU 29 H LEU 29 -7.826 -3.224 0.177 181 HA LEU 29 HA LEU 29 -8.165 -0.637 -1.187 182 HB2 LEU 29 1HB LEU 29 -5.908 -1.467 0.631 183 HB3 LEU 29 2HB LEU 29 -6.114 0.106 -0.118 184 HG LEU 29 HG LEU 29 -8.368 -0.776 1.567 185 HD11 LEU 29 1HD1 LEU 29 -5.611 -0.361 2.666 186 HD12 LEU 29 2HD1 LEU 29 -7.047 0.012 3.618 187 HD13 LEU 29 3HD1 LEU 29 -6.776 -1.631 3.035 188 HD21 LEU 29 3HD2 LEU 29 -6.770 1.763 1.266 189 HD22 LEU 29 1HD2 LEU 29 -8.362 1.418 0.593 190 HD23 LEU 29 2HD2 LEU 29 -8.158 1.581 2.337 191 H GLY 30 H GLY 30 -6.762 -0.108 -2.858 192 HA2 GLY 30 1HA GLY 30 -5.267 -2.388 -3.986 193 HA3 GLY 30 2HA GLY 30 -5.919 -1.043 -4.921 194 H CYS 31 H CYS 31 -3.207 -2.258 -3.291 195 HA CYS 31 HA CYS 31 -1.966 0.415 -3.292 196 HB2 CYS 31 1HB CYS 31 -1.068 -1.700 -1.386 197 HB3 CYS 31 2HB CYS 31 -1.015 0.052 -1.222 198 H VAL 32 H VAL 32 0.092 0.615 -4.007 199 HA VAL 32 HA VAL 32 1.429 -1.780 -5.068 200 HB VAL 32 HB VAL 32 2.481 0.978 -5.564 201 HG11 VAL 32 1HG1 VAL 32 2.946 -1.653 -6.534 202 HG12 VAL 32 2HG1 VAL 32 2.390 -0.651 -7.874 203 HG13 VAL 32 3HG1 VAL 32 3.798 -0.161 -6.932 204 HG21 VAL 32 3HG2 VAL 32 0.021 1.103 -5.963 205 HG22 VAL 32 1HG2 VAL 32 1.000 1.386 -7.403 206 HG23 VAL 32 2HG2 VAL 32 0.202 -0.171 -7.171 207 H VAL 33 H VAL 33 3.595 -2.225 -4.438 208 HA VAL 33 HA VAL 33 4.211 -1.561 -1.748 209 HB VAL 33 HB VAL 33 5.880 -2.891 -3.890 210 HG11 VAL 33 1HG1 VAL 33 7.571 -3.336 -2.375 211 HG12 VAL 33 2HG1 VAL 33 7.130 -1.678 -1.965 212 HG13 VAL 33 3HG1 VAL 33 6.543 -3.015 -0.978 213 HG21 VAL 33 3HG2 VAL 33 4.465 -4.564 -3.423 214 HG22 VAL 33 1HG2 VAL 33 5.387 -4.727 -1.929 215 HG23 VAL 33 2HG2 VAL 33 3.891 -3.792 -1.944 216 H GLY 34 H GLY 34 5.148 0.193 -0.973 217 HA2 GLY 34 1HA GLY 34 6.090 2.229 -2.760 218 HA3 GLY 34 2HA GLY 34 5.979 2.336 -1.012 219 H VAL 35 H VAL 35 8.072 2.725 -3.305 220 HA VAL 35 HA VAL 35 10.311 1.773 -1.658 221 HB VAL 35 HB VAL 35 11.072 2.044 -4.445 222 HG11 VAL 35 1HG1 VAL 35 12.630 0.725 -3.573 223 HG12 VAL 35 2HG1 VAL 35 11.643 0.425 -2.143 224 HG13 VAL 35 3HG1 VAL 35 11.454 -0.591 -3.571 225 HG21 VAL 35 3HG2 VAL 35 9.344 1.060 -5.469 226 HG22 VAL 35 1HG2 VAL 35 9.854 -0.427 -4.671 227 HG23 VAL 35 2HG2 VAL 35 8.610 0.584 -3.938 228 H ILE 36 H ILE 36 12.385 3.044 -2.804 229 HA ILE 36 HA ILE 36 11.903 5.763 -2.126 230 HB ILE 36 HB ILE 36 14.348 4.924 -3.651 231 HG12 ILE 36 2HG1 ILE 36 14.009 4.481 -0.680 232 HG13 ILE 36 1HG1 ILE 36 13.788 3.200 -1.868 233 HG21 ILE 36 1HG2 ILE 36 15.003 6.956 -3.053 234 HG22 ILE 36 2HG2 ILE 36 13.493 7.203 -2.176 235 HG23 ILE 36 3HG2 ILE 36 14.882 6.492 -1.355 236 HD11 ILE 36 3HD1 ILE 36 15.959 2.800 -1.791 237 HD12 ILE 36 1HD1 ILE 36 16.269 4.418 -2.420 238 HD13 ILE 36 2HD1 ILE 36 16.192 4.151 -0.680 239 H GLY 37 H GLY 37 10.270 6.435 -3.533 240 HA2 GLY 37 1HA GLY 37 9.946 7.980 -5.313 241 HA3 GLY 37 2HA GLY 37 11.288 7.237 -6.162 242 H SER 38 H SER 38 8.528 5.572 -4.676 243 HA SER 38 HA SER 38 7.954 4.276 -7.202 244 HB2 SER 38 1HB SER 38 5.978 3.376 -5.683 245 HB3 SER 38 2HB SER 38 7.626 2.774 -5.483 246 HG SER 38 HG SER 38 6.097 4.007 -3.694 247 H GLN 39 H GLN 39 7.211 7.216 -6.026 248 HA GLN 39 HA GLN 39 5.665 8.821 -6.396 249 HB2 GLN 39 1HB GLN 39 5.738 7.298 -8.788 250 HB3 GLN 39 2HB GLN 39 4.052 7.686 -8.464 251 HG2 GLN 39 1HG GLN 39 4.687 9.497 -9.697 252 HG3 GLN 39 2HG GLN 39 4.996 10.088 -8.065 253 HE21 GLN 39 1HE2 GLN 39 6.895 10.979 -7.740 254 HE22 GLN 39 2HE2 GLN 39 8.333 10.696 -8.667 255 H CYS 40 H CYS 40 4.496 8.757 -4.575 256 HA CYS 40 HA CYS 40 2.227 6.912 -4.450 257 HB2 CYS 40 1HB CYS 40 4.161 7.455 -2.559 258 HB3 CYS 40 2HB CYS 40 2.810 8.447 -2.026 259 H GLY 41 H GLY 41 0.823 8.085 -5.753 260 HA2 GLY 41 1HA GLY 41 -0.034 10.702 -4.715 261 HA3 GLY 41 2HA GLY 41 -0.483 10.010 -6.272 262 H ALA 42 H ALA 42 -0.710 9.179 -2.830 263 HA ALA 42 HA ALA 42 -3.542 8.603 -3.136 264 HB1 ALA 42 1HB ALA 42 -1.448 6.533 -2.660 265 HB2 ALA 42 2HB ALA 42 -3.026 6.352 -1.893 266 HB3 ALA 42 3HB ALA 42 -2.907 6.455 -3.649 267 H SER 43 H SER 43 -3.750 7.157 -0.682 268 HA SER 43 HA SER 43 -3.598 9.376 1.150 269 HB2 SER 43 1HB SER 43 -4.377 6.830 2.321 270 HB3 SER 43 2HB SER 43 -5.304 8.323 2.165 271 HG SER 43 HG SER 43 -6.252 7.554 0.443 272 H VAL 44 H VAL 44 -1.737 6.568 0.441 273 HA VAL 44 HA VAL 44 0.135 5.631 1.318 274 HB VAL 44 HB VAL 44 0.448 8.171 2.931 275 HG11 VAL 44 1HG1 VAL 44 2.699 6.495 1.912 276 HG12 VAL 44 2HG1 VAL 44 2.636 7.559 3.316 277 HG13 VAL 44 3HG1 VAL 44 1.834 5.988 3.362 278 HG21 VAL 44 3HG2 VAL 44 2.089 8.660 0.961 279 HG22 VAL 44 1HG2 VAL 44 1.051 7.547 0.069 280 HG23 VAL 44 2HG2 VAL 44 0.370 9.010 0.781 281 H LYS 45 H LYS 45 -0.437 3.915 2.534 282 HA LYS 45 HA LYS 45 -1.299 4.453 5.296 283 HB2 LYS 45 1HB LYS 45 -2.400 2.440 3.337 284 HB3 LYS 45 2HB LYS 45 -2.705 2.357 5.069 285 HG2 LYS 45 1HG LYS 45 -3.839 4.469 5.031 286 HG3 LYS 45 2HG LYS 45 -3.393 4.727 3.344 287 HD2 LYS 45 1HD LYS 45 -5.639 4.006 3.318 288 HD3 LYS 45 2HD LYS 45 -4.685 2.608 2.826 289 HE2 LYS 45 2HE LYS 45 -6.456 2.022 4.432 290 HE3 LYS 45 1HE LYS 45 -4.842 1.670 5.043 291 HZ1 LYS 45 3HZ LYS 45 -6.361 4.131 5.724 292 HZ2 LYS 45 1HZ LYS 45 -4.910 3.594 6.426 293 HZ3 LYS 45 2HZ LYS 45 -6.352 2.732 6.679 294 H CYS 46 H CYS 46 -0.884 2.735 6.817 295 HA CYS 46 HA CYS 46 1.549 1.233 6.103 296 HB2 CYS 46 1HB CYS 46 1.044 3.073 8.217 297 HB3 CYS 46 2HB CYS 46 1.242 1.479 8.935 298 H CYS 47 H CYS 47 0.272 -0.517 5.368 299 HA CYS 47 HA CYS 47 -1.415 -1.825 7.376 300 HB2 CYS 47 1HB CYS 47 -1.213 -2.690 4.505 301 HB3 CYS 47 2HB CYS 47 -2.544 -2.911 5.634 302 H LYS 48 H LYS 48 -1.081 -3.920 8.039 303 HA LYS 48 HA LYS 48 1.577 -4.998 7.501 304 HB2 LYS 48 1HB LYS 48 0.447 -4.707 9.842 305 HB3 LYS 48 2HB LYS 48 -0.400 -6.190 9.424 306 HG2 LYS 48 1HG LYS 48 2.217 -6.806 8.867 307 HG3 LYS 48 2HG LYS 48 2.344 -5.783 10.301 308 HD2 LYS 48 1HD LYS 48 1.570 -7.407 11.608 309 HD3 LYS 48 2HD LYS 48 0.171 -7.661 10.562 310 HE2 LYS 48 2HE LYS 48 1.081 -9.649 10.113 311 HE3 LYS 48 1HE LYS 48 2.218 -8.753 9.105 312 HZ1 LYS 48 3HZ LYS 48 3.854 -8.847 10.709 313 HZ2 LYS 48 1HZ LYS 48 3.115 -10.368 10.872 314 HZ3 LYS 48 2HZ LYS 48 2.763 -9.131 11.978 315 H ASP 49 H ASP 49 0.577 -5.387 5.237 316 HA ASP 49 HA ASP 49 -1.047 -7.811 5.158 317 HB2 ASP 49 1HB ASP 49 -1.228 -5.615 3.612 318 HB3 ASP 49 2HB ASP 49 -0.139 -6.580 2.618 319 H ASP 50 H ASP 50 -0.326 -9.182 3.052 320 HA ASP 50 HA ASP 50 2.216 -10.261 4.016 321 HB2 ASP 50 1HB ASP 50 0.248 -11.743 3.979 322 HB3 ASP 50 2HB ASP 50 0.127 -11.527 2.233 323 H VAL 51 H VAL 51 4.031 -10.126 2.897 324 HA VAL 51 HA VAL 51 3.964 -9.035 0.203 325 HB VAL 51 HB VAL 51 5.591 -8.317 2.080 326 HG11 VAL 51 1HG1 VAL 51 6.907 -9.891 2.914 327 HG12 VAL 51 2HG1 VAL 51 6.454 -11.032 1.649 328 HG13 VAL 51 3HG1 VAL 51 7.768 -9.891 1.374 329 HG21 VAL 51 3HG2 VAL 51 5.643 -8.021 -0.586 330 HG22 VAL 51 1HG2 VAL 51 6.856 -7.335 0.495 331 HG23 VAL 51 2HG2 VAL 51 7.178 -8.853 -0.345 332 H THR 52 H THR 52 3.973 -12.066 1.628 333 HA THR 52 HA THR 52 5.517 -13.477 -0.350 334 HB THR 52 HB THR 52 3.551 -15.025 1.202 335 HG1 THR 52 1HG THR 52 3.871 -13.701 2.886 336 HG21 THR 52 3HG2 THR 52 5.810 -15.638 -0.092 337 HG22 THR 52 1HG2 THR 52 5.221 -16.571 1.285 338 HG23 THR 52 2HG2 THR 52 6.479 -15.353 1.514 339 H ASN 53 H ASN 53 2.528 -12.035 -0.354 340 HA ASN 53 HA ASN 53 1.113 -13.950 -1.959 341 HB2 ASN 53 1HB ASN 53 0.266 -11.927 -0.401 342 HB3 ASN 53 2HB ASN 53 0.278 -11.098 -1.955 343 HD21 ASN 53 1HD2 ASN 53 -2.066 -11.306 -0.757 344 HD22 ASN 53 2HD2 ASN 53 -3.067 -12.490 -1.530 345 H THR 54 H THR 54 2.010 -10.580 -2.714 346 HA THR 54 HA THR 54 3.186 -11.476 -5.225 347 HB THR 54 HB THR 54 1.490 -9.135 -5.654 348 HG1 THR 54 1HG THR 54 0.156 -11.637 -5.361 349 HG21 THR 54 3HG2 THR 54 2.774 -10.880 -7.239 350 HG22 THR 54 1HG2 THR 54 1.358 -9.969 -7.765 351 HG23 THR 54 2HG2 THR 54 1.180 -11.634 -7.215 352 H GLY 55 H GLY 55 2.071 -8.262 -4.222 353 HA2 GLY 55 1HA GLY 55 3.239 -6.323 -3.790 354 HA3 GLY 55 2HA GLY 55 4.640 -7.321 -3.419 355 H ASN 56 H ASN 56 2.974 -7.549 -6.459 356 HA ASN 56 HA ASN 56 5.450 -6.727 -7.787 357 HB2 ASN 56 1HB ASN 56 4.131 -9.021 -8.089 358 HB3 ASN 56 2HB ASN 56 3.238 -8.063 -9.266 359 HD21 ASN 56 1HD2 ASN 56 4.010 -9.414 -10.894 360 HD22 ASN 56 2HD2 ASN 56 5.633 -9.273 -11.499 361 H SER 57 H SER 57 2.492 -6.862 -9.591 362 HA SER 57 HA SER 57 2.805 -4.121 -10.390 363 HB2 SER 57 1HB SER 57 0.384 -5.013 -11.414 364 HB3 SER 57 2HB SER 57 1.946 -5.102 -12.229 365 HG SER 57 HG SER 57 0.504 -7.100 -10.885 366 H PHE 58 H PHE 58 0.517 -5.995 -8.477 367 HA PHE 58 HA PHE 58 -0.436 -3.566 -7.211 368 HB2 PHE 58 1HB PHE 58 -1.867 -4.589 -9.349 369 HB3 PHE 58 2HB PHE 58 -2.678 -5.292 -7.954 370 HD1 PHE 58 1HD PHE 58 -1.070 -1.969 -8.396 371 HD2 PHE 58 2HD PHE 58 -4.658 -4.142 -7.702 372 HE1 PHE 58 1HE PHE 58 -2.271 0.144 -8.035 373 HE2 PHE 58 2HE PHE 58 -5.871 -2.036 -7.341 374 HZ PHE 58 HZ PHE 58 -4.679 0.118 -7.506 375 H LEU 59 H LEU 59 -1.514 -3.956 -5.235 376 HA LEU 59 HA LEU 59 -1.685 -6.741 -4.350 377 HB2 LEU 59 1HB LEU 59 0.205 -4.797 -3.392 378 HB3 LEU 59 2HB LEU 59 -0.903 -5.229 -2.103 379 HG LEU 59 HG LEU 59 0.995 -7.022 -3.603 380 HD11 LEU 59 1HD1 LEU 59 0.572 -6.752 -0.642 381 HD12 LEU 59 2HD1 LEU 59 1.951 -7.439 -1.501 382 HD13 LEU 59 3HD1 LEU 59 1.663 -5.698 -1.541 383 HD21 LEU 59 3HD2 LEU 59 0.003 -8.920 -2.397 384 HD22 LEU 59 1HD2 LEU 59 -1.286 -7.864 -1.815 385 HD23 LEU 59 2HD2 LEU 59 -1.128 -8.194 -3.541 386 H ILE 60 H ILE 60 -3.755 -7.025 -3.881 387 HA ILE 60 HA ILE 60 -5.401 -4.852 -2.939 388 HB ILE 60 HB ILE 60 -5.952 -7.767 -3.501 389 HG12 ILE 60 2HG1 ILE 60 -7.766 -6.378 -4.918 390 HG13 ILE 60 1HG1 ILE 60 -6.509 -5.153 -4.806 391 HG21 ILE 60 1HG2 ILE 60 -7.798 -5.763 -2.213 392 HG22 ILE 60 2HG2 ILE 60 -8.348 -7.255 -2.975 393 HG23 ILE 60 3HG2 ILE 60 -7.283 -7.322 -1.570 394 HD11 ILE 60 3HD1 ILE 60 -5.047 -7.287 -5.567 395 HD12 ILE 60 1HD1 ILE 60 -6.586 -7.651 -6.346 396 HD13 ILE 60 2HD1 ILE 60 -5.763 -6.124 -6.683 397 H ILE 61 H ILE 61 -5.091 -4.203 -0.931 398 HA ILE 61 HA ILE 61 -4.084 -6.051 1.060 399 HB ILE 61 HB ILE 61 -4.364 -3.074 0.911 400 HG12 ILE 61 2HG1 ILE 61 -2.086 -4.972 1.518 401 HG13 ILE 61 1HG1 ILE 61 -2.351 -4.103 0.010 402 HG21 ILE 61 1HG2 ILE 61 -5.170 -3.406 3.104 403 HG22 ILE 61 2HG2 ILE 61 -3.999 -4.684 3.425 404 HG23 ILE 61 3HG2 ILE 61 -3.460 -3.011 3.282 405 HD11 ILE 61 3HD1 ILE 61 -1.806 -2.793 2.659 406 HD12 ILE 61 1HD1 ILE 61 -0.588 -3.130 1.429 407 HD13 ILE 61 2HD1 ILE 61 -1.906 -2.009 1.081 408 H ASN 62 H ASN 62 -5.124 -6.780 2.799 409 HA ASN 62 HA ASN 62 -8.005 -6.576 2.800 410 HB2 ASN 62 1HB ASN 62 -6.788 -8.713 3.259 411 HB3 ASN 62 2HB ASN 62 -6.214 -8.013 4.767 412 HD21 ASN 62 1HD2 ASN 62 -7.277 -9.840 5.752 413 HD22 ASN 62 2HD2 ASN 62 -8.984 -9.776 6.054 414 H ALA 63 H ALA 63 -9.265 -5.514 4.235 415 HA ALA 63 HA ALA 63 -8.097 -3.260 5.538 416 HB1 ALA 63 1HB ALA 63 -10.889 -3.854 6.184 417 HB2 ALA 63 2HB ALA 63 -10.163 -2.410 5.478 418 HB3 ALA 63 3HB ALA 63 -10.535 -3.797 4.456 419 H ALA 64 H ALA 64 -8.393 -6.407 6.534 420 HA ALA 64 HA ALA 64 -9.039 -5.929 9.297 421 HB1 ALA 64 1HB ALA 64 -9.667 -8.055 8.740 422 HB2 ALA 64 2HB ALA 64 -8.291 -8.299 7.663 423 HB3 ALA 64 3HB ALA 64 -8.068 -8.384 9.409 424 H ASN 65 H ASN 65 -6.099 -6.614 7.437 425 HA ASN 65 HA ASN 65 -4.478 -6.399 9.855 426 HB2 ASN 65 1HB ASN 65 -2.610 -6.962 8.142 427 HB3 ASN 65 2HB ASN 65 -3.756 -8.219 8.600 428 HD21 ASN 65 1HD2 ASN 65 -2.474 -6.354 6.082 429 HD22 ASN 65 2HD2 ASN 65 -3.456 -6.971 4.794 430 H CYS 66 H CYS 66 -5.527 -4.404 7.323 431 HA CYS 66 HA CYS 66 -3.305 -2.557 7.654 432 HB2 CYS 66 1HB CYS 66 -4.439 -2.803 5.437 433 HB3 CYS 66 2HB CYS 66 -5.896 -2.121 6.153 434 H VAL 67 H VAL 67 -3.236 -1.534 9.531 435 HA VAL 67 HA VAL 67 -5.610 -1.095 11.083 436 HB VAL 67 HB VAL 67 -3.883 0.108 12.623 437 HG11 VAL 67 1HG1 VAL 67 -2.950 -2.385 13.071 438 HG12 VAL 67 2HG1 VAL 67 -4.539 -1.819 13.583 439 HG13 VAL 67 3HG1 VAL 67 -4.371 -2.744 12.091 440 HG21 VAL 67 3HG2 VAL 67 -1.952 -1.565 11.039 441 HG22 VAL 67 1HG2 VAL 67 -2.177 0.157 10.726 442 HG23 VAL 67 2HG2 VAL 67 -1.610 -0.387 12.305 443 H ALA 68 H ALA 68 -3.201 1.013 9.504 444 HA ALA 68 HA ALA 68 -5.201 3.035 9.092 445 HB1 ALA 68 1HB ALA 68 -2.815 3.932 10.673 446 HB2 ALA 68 2HB ALA 68 -4.358 4.749 10.424 447 HB3 ALA 68 3HB ALA 68 -4.266 3.342 11.483 Start of MODEL 18 1 H1 SER 1 1H SER 1 -3.119 15.329 -4.864 2 H2 SER 1 2H SER 1 -1.591 15.547 -5.559 3 H3 SER 1 3H SER 1 -1.723 14.933 -3.985 4 HA SER 1 HA SER 1 -2.962 13.016 -4.934 5 HB2 SER 1 1HB SER 1 -2.036 14.392 -7.449 6 HB3 SER 1 2HB SER 1 -2.376 12.662 -7.417 7 HG SER 1 HG SER 1 -4.395 13.161 -7.623 8 H ALA 2 H ALA 2 -0.016 14.052 -6.673 9 HA ALA 2 HA ALA 2 1.269 11.565 -5.961 10 HB1 ALA 2 1HB ALA 2 2.198 13.931 -7.580 11 HB2 ALA 2 2HB ALA 2 3.160 12.478 -7.312 12 HB3 ALA 2 3HB ALA 2 1.629 12.374 -8.182 13 H THR 3 H THR 3 2.217 11.306 -4.090 14 HA THR 3 HA THR 3 3.594 13.588 -2.825 15 HB THR 3 HB THR 3 3.093 11.309 -1.082 16 HG1 THR 3 1HG THR 3 1.181 11.342 -2.573 17 HG21 THR 3 3HG2 THR 3 3.578 13.949 -0.769 18 HG22 THR 3 1HG2 THR 3 2.854 12.926 0.472 19 HG23 THR 3 2HG2 THR 3 1.827 13.916 -0.564 20 H THR 4 H THR 4 5.727 13.362 -2.294 21 HA THR 4 HA THR 4 7.053 10.948 -3.275 22 HB THR 4 HB THR 4 8.759 13.049 -2.139 23 HG1 THR 4 1HG THR 4 6.814 13.649 -4.087 24 HG21 THR 4 3HG2 THR 4 8.834 11.036 -4.151 25 HG22 THR 4 1HG2 THR 4 10.157 12.027 -3.538 26 HG23 THR 4 2HG2 THR 4 9.197 12.588 -4.906 27 H ILE 5 H ILE 5 7.562 9.359 -1.914 28 HA ILE 5 HA ILE 5 7.615 9.957 0.951 29 HB ILE 5 HB ILE 5 7.224 7.656 1.387 30 HG12 ILE 5 2HG1 ILE 5 7.129 6.833 -1.463 31 HG13 ILE 5 1HG1 ILE 5 8.723 7.042 -0.743 32 HG21 ILE 5 1HG2 ILE 5 5.235 7.280 -0.365 33 HG22 ILE 5 2HG2 ILE 5 5.133 8.411 0.985 34 HG23 ILE 5 3HG2 ILE 5 5.541 8.996 -0.629 35 HD11 ILE 5 3HD1 ILE 5 6.774 4.926 -0.384 36 HD12 ILE 5 1HD1 ILE 5 8.506 4.944 -0.046 37 HD13 ILE 5 2HD1 ILE 5 7.368 5.574 1.144 38 H GLY 6 H GLY 6 9.194 8.700 2.280 39 HA2 GLY 6 1HA GLY 6 11.823 9.068 1.041 40 HA3 GLY 6 2HA GLY 6 11.489 9.079 2.764 41 HA PRO 7 HA PRO 7 13.247 4.941 1.826 42 HB2 PRO 7 1HB PRO 7 15.011 4.865 3.863 43 HB3 PRO 7 2HB PRO 7 15.360 5.698 2.344 44 HG2 PRO 7 1HG PRO 7 14.495 6.828 4.970 45 HG3 PRO 7 2HG PRO 7 15.685 7.454 3.817 46 HD2 PRO 7 1HD PRO 7 13.108 8.384 4.028 47 HD3 PRO 7 2HD PRO 7 14.091 8.496 2.556 48 H ASN 8 H ASN 8 12.101 6.349 4.829 49 HA ASN 8 HA ASN 8 10.686 3.887 5.404 50 HB2 ASN 8 1HB ASN 8 11.377 3.903 7.798 51 HB3 ASN 8 2HB ASN 8 12.694 3.528 6.697 52 HD21 ASN 8 1HD2 ASN 8 11.977 5.119 9.407 53 HD22 ASN 8 2HD2 ASN 8 13.154 6.386 9.366 54 H THR 9 H THR 9 8.885 5.090 4.801 55 HA THR 9 HA THR 9 8.207 7.525 6.167 56 HB THR 9 HB THR 9 6.091 6.002 4.754 57 HG1 THR 9 1HG THR 9 7.108 5.944 2.871 58 HG21 THR 9 3HG2 THR 9 7.084 8.851 4.744 59 HG22 THR 9 1HG2 THR 9 5.584 8.237 5.439 60 HG23 THR 9 2HG2 THR 9 5.796 8.271 3.688 61 H CYS 10 H CYS 10 7.509 4.133 6.543 62 HA CYS 10 HA CYS 10 6.251 4.765 9.107 63 HB2 CYS 10 1HB CYS 10 4.910 3.547 6.864 64 HB3 CYS 10 2HB CYS 10 4.995 2.403 8.201 65 H SER 11 H SER 11 6.393 1.538 7.769 66 HA SER 11 HA SER 11 7.581 -0.306 8.296 67 HB2 SER 11 1HB SER 11 9.930 1.401 9.061 68 HB3 SER 11 2HB SER 11 9.906 -0.141 8.206 69 HG SER 11 HG SER 11 10.310 1.417 6.678 70 H ILE 12 H ILE 12 5.916 0.326 10.267 71 HA ILE 12 HA ILE 12 7.022 0.651 12.834 72 HB ILE 12 HB ILE 12 4.473 -0.715 11.947 73 HG12 ILE 12 2HG1 ILE 12 4.031 1.650 13.455 74 HG13 ILE 12 1HG1 ILE 12 5.267 2.019 12.256 75 HG21 ILE 12 1HG2 ILE 12 3.763 -0.952 14.138 76 HG22 ILE 12 2HG2 ILE 12 5.460 -1.418 14.235 77 HG23 ILE 12 3HG2 ILE 12 4.957 0.189 14.757 78 HD11 ILE 12 3HD1 ILE 12 3.153 0.535 11.031 79 HD12 ILE 12 1HD1 ILE 12 2.494 1.922 11.899 80 HD13 ILE 12 2HD1 ILE 12 3.739 2.160 10.671 81 H ASP 13 H ASP 13 5.663 -2.371 11.542 82 HA ASP 13 HA ASP 13 8.016 -3.795 12.597 83 HB2 ASP 13 1HB ASP 13 6.036 -4.576 13.755 84 HB3 ASP 13 2HB ASP 13 5.177 -4.792 12.231 85 H ASP 14 H ASP 14 5.483 -4.767 10.323 86 HA ASP 14 HA ASP 14 7.436 -4.501 8.141 87 HB2 ASP 14 1HB ASP 14 6.554 -6.921 8.967 88 HB3 ASP 14 2HB ASP 14 5.289 -6.519 7.808 89 H TYR 15 H TYR 15 5.352 -2.785 9.314 90 HA TYR 15 HA TYR 15 3.228 -2.630 7.375 91 HB2 TYR 15 1HB TYR 15 3.987 -1.188 9.869 92 HB3 TYR 15 2HB TYR 15 2.995 -0.314 8.710 93 HD1 TYR 15 1HD TYR 15 2.276 -3.741 8.424 94 HD2 TYR 15 2HD TYR 15 1.535 -0.375 10.912 95 HE1 TYR 15 1HE TYR 15 0.266 -4.846 9.309 96 HE2 TYR 15 2HE TYR 15 -0.476 -1.472 11.804 97 HH TYR 15 HH TYR 15 -1.090 -4.529 11.734 98 H LYS 16 H LYS 16 4.317 -2.325 5.436 99 HA LYS 16 HA LYS 16 6.247 -0.220 5.095 100 HB2 LYS 16 1HB LYS 16 4.869 -1.815 2.930 101 HB3 LYS 16 2HB LYS 16 6.403 -0.966 2.820 102 HG2 LYS 16 1HG LYS 16 7.544 -2.589 3.961 103 HG3 LYS 16 2HG LYS 16 6.106 -3.151 4.817 104 HD2 LYS 16 1HD LYS 16 5.431 -3.663 2.231 105 HD3 LYS 16 2HD LYS 16 7.175 -3.939 2.198 106 HE2 LYS 16 2HE LYS 16 5.625 -5.108 4.444 107 HE3 LYS 16 1HE LYS 16 5.448 -5.847 2.852 108 HZ1 LYS 16 3HZ LYS 16 7.790 -5.732 4.606 109 HZ2 LYS 16 1HZ LYS 16 8.059 -5.706 2.929 110 HZ3 LYS 16 2HZ LYS 16 7.225 -7.003 3.638 111 HA PRO 17 HA PRO 17 3.424 2.905 3.659 112 HB2 PRO 17 1HB PRO 17 5.302 3.932 1.714 113 HB3 PRO 17 2HB PRO 17 4.885 4.600 3.295 114 HG2 PRO 17 1HG PRO 17 7.329 3.528 2.688 115 HG3 PRO 17 2HG PRO 17 6.652 3.583 4.325 116 HD2 PRO 17 1HD PRO 17 6.734 1.305 2.382 117 HD3 PRO 17 2HD PRO 17 7.000 1.301 4.140 118 H TYR 18 H TYR 18 2.012 1.410 2.624 119 HA TYR 18 HA TYR 18 2.454 0.734 -0.148 120 HB2 TYR 18 1HB TYR 18 0.393 0.100 1.925 121 HB3 TYR 18 2HB TYR 18 0.015 -0.164 0.231 122 HD1 TYR 18 2HD TYR 18 2.413 -1.072 2.900 123 HD2 TYR 18 1HD TYR 18 0.740 -2.110 -0.868 124 HE1 TYR 18 2HE TYR 18 3.509 -3.262 3.025 125 HE2 TYR 18 1HE TYR 18 1.831 -4.311 -0.753 126 HH TYR 18 HH TYR 18 2.827 -5.734 1.789 127 H CYS 19 H CYS 19 1.447 1.608 -1.883 128 HA CYS 19 HA CYS 19 -0.070 4.059 -1.531 129 HB2 CYS 19 1HB CYS 19 1.631 3.043 -3.528 130 HB3 CYS 19 2HB CYS 19 0.028 3.080 -4.255 131 H CYS 20 H CYS 20 -2.099 3.575 -0.777 132 HA CYS 20 HA CYS 20 -3.471 1.280 -1.962 133 HB2 CYS 20 1HB CYS 20 -3.545 2.605 0.666 134 HB3 CYS 20 2HB CYS 20 -5.113 2.081 0.052 135 H GLN 21 H GLN 21 -4.813 1.603 -3.539 136 HA GLN 21 HA GLN 21 -6.109 4.071 -4.083 137 HB2 GLN 21 1HB GLN 21 -6.075 2.836 -6.003 138 HB3 GLN 21 2HB GLN 21 -6.162 1.307 -5.145 139 HG2 GLN 21 1HG GLN 21 -8.418 1.229 -5.222 140 HG3 GLN 21 2HG GLN 21 -8.595 2.980 -5.130 141 HE21 GLN 21 1HE2 GLN 21 -9.061 4.042 -6.939 142 HE22 GLN 21 2HE2 GLN 21 -8.999 3.380 -8.541 143 H SER 22 H SER 22 -7.504 4.922 -2.721 144 HA SER 22 HA SER 22 -9.014 3.278 -0.896 145 HB2 SER 22 1HB SER 22 -9.383 6.244 -1.271 146 HB3 SER 22 2HB SER 22 -9.590 5.280 0.194 147 HG SER 22 HG SER 22 -7.074 5.055 -0.786 148 H MET 23 H MET 23 -10.615 2.163 -1.764 149 HA MET 23 HA MET 23 -12.069 3.138 -4.052 150 HB2 MET 23 1HB MET 23 -12.581 0.661 -2.397 151 HB3 MET 23 2HB MET 23 -13.207 0.993 -4.006 152 HG2 MET 23 1HG MET 23 -10.794 1.070 -4.771 153 HG3 MET 23 2HG MET 23 -10.384 0.384 -3.201 154 HE1 MET 23 3HE MET 23 -11.031 -0.453 -6.793 155 HE2 MET 23 1HE MET 23 -9.568 -0.900 -5.916 156 HE3 MET 23 2HE MET 23 -10.624 -2.154 -6.567 157 H SER 24 H SER 24 -13.930 4.178 -4.044 158 HA SER 24 HA SER 24 -15.086 4.979 -1.535 159 HB2 SER 24 1HB SER 24 -16.572 5.773 -3.893 160 HB3 SER 24 2HB SER 24 -15.705 6.777 -2.730 161 HG SER 24 HG SER 24 -14.139 6.959 -4.116 162 H GLY 25 H GLY 25 -15.738 2.635 -3.992 163 HA2 GLY 25 1HA GLY 25 -18.401 2.137 -2.801 164 HA3 GLY 25 2HA GLY 25 -18.018 1.842 -4.489 165 H SER 26 H SER 26 -15.566 1.012 -2.247 166 HA SER 26 HA SER 26 -16.502 -1.668 -1.754 167 HB2 SER 26 1HB SER 26 -14.220 -1.160 -3.678 168 HB3 SER 26 2HB SER 26 -14.476 -2.709 -2.873 169 HG SER 26 HG SER 26 -16.707 -1.652 -4.114 170 H ALA 27 H ALA 27 -15.473 -2.600 -0.033 171 HA ALA 27 HA ALA 27 -13.542 -0.900 1.365 172 HB1 ALA 27 1HB ALA 27 -15.333 -1.552 2.756 173 HB2 ALA 27 2HB ALA 27 -15.221 -3.237 2.242 174 HB3 ALA 27 3HB ALA 27 -13.959 -2.538 3.253 175 H SER 28 H SER 28 -12.275 -1.833 -0.717 176 HA SER 28 HA SER 28 -10.590 -4.006 0.330 177 HB2 SER 28 1HB SER 28 -10.609 -3.786 -2.586 178 HB3 SER 28 2HB SER 28 -10.797 -5.213 -1.567 179 HG SER 28 HG SER 28 -13.009 -4.205 -1.178 180 H LEU 29 H LEU 29 -8.472 -3.494 0.456 181 HA LEU 29 HA LEU 29 -7.685 -0.853 -0.444 182 HB2 LEU 29 1HB LEU 29 -6.354 -2.933 1.274 183 HB3 LEU 29 2HB LEU 29 -5.543 -1.457 0.784 184 HG LEU 29 HG LEU 29 -8.087 -1.588 2.399 185 HD11 LEU 29 1HD1 LEU 29 -6.768 -0.958 4.288 186 HD12 LEU 29 2HD1 LEU 29 -6.044 -2.399 3.574 187 HD13 LEU 29 3HD1 LEU 29 -5.318 -0.817 3.294 188 HD21 LEU 29 3HD2 LEU 29 -7.214 0.882 2.781 189 HD22 LEU 29 1HD2 LEU 29 -6.529 0.620 1.177 190 HD23 LEU 29 2HD2 LEU 29 -8.267 0.463 1.430 191 H GLY 30 H GLY 30 -7.574 -1.145 -2.689 192 HA2 GLY 30 1HA GLY 30 -5.815 -3.054 -3.906 193 HA3 GLY 30 2HA GLY 30 -6.530 -1.649 -4.691 194 H CYS 31 H CYS 31 -3.732 -2.942 -3.217 195 HA CYS 31 HA CYS 31 -2.539 -0.261 -3.000 196 HB2 CYS 31 1HB CYS 31 -3.073 -2.116 -0.991 197 HB3 CYS 31 2HB CYS 31 -1.344 -2.262 -1.285 198 H VAL 32 H VAL 32 -0.413 0.005 -3.516 199 HA VAL 32 HA VAL 32 1.109 -2.344 -4.440 200 HB VAL 32 HB VAL 32 2.011 0.187 -5.597 201 HG11 VAL 32 1HG1 VAL 32 2.422 -1.127 -7.491 202 HG12 VAL 32 2HG1 VAL 32 2.709 -2.204 -6.126 203 HG13 VAL 32 3HG1 VAL 32 1.204 -2.318 -7.038 204 HG21 VAL 32 3HG2 VAL 32 -0.332 0.738 -5.726 205 HG22 VAL 32 1HG2 VAL 32 0.239 0.293 -7.335 206 HG23 VAL 32 2HG2 VAL 32 -0.709 -0.854 -6.390 207 H VAL 33 H VAL 33 3.281 -2.379 -3.781 208 HA VAL 33 HA VAL 33 3.778 -1.027 -1.333 209 HB VAL 33 HB VAL 33 4.668 -3.226 -1.565 210 HG11 VAL 33 1HG1 VAL 33 5.420 -2.324 -4.198 211 HG12 VAL 33 2HG1 VAL 33 6.780 -3.090 -3.378 212 HG13 VAL 33 3HG1 VAL 33 5.260 -3.964 -3.571 213 HG21 VAL 33 3HG2 VAL 33 7.255 -1.849 -1.799 214 HG22 VAL 33 1HG2 VAL 33 6.136 -1.154 -0.627 215 HG23 VAL 33 2HG2 VAL 33 6.608 -2.849 -0.497 216 H GLY 34 H GLY 34 4.687 0.866 -0.952 217 HA2 GLY 34 1HA GLY 34 6.058 2.231 -3.167 218 HA3 GLY 34 2HA GLY 34 5.305 3.024 -1.789 219 H VAL 35 H VAL 35 8.147 2.789 -3.030 220 HA VAL 35 HA VAL 35 9.512 2.353 -0.455 221 HB VAL 35 HB VAL 35 11.516 1.692 -2.038 222 HG11 VAL 35 1HG1 VAL 35 10.991 -0.645 -1.661 223 HG12 VAL 35 2HG1 VAL 35 10.546 0.314 -0.250 224 HG13 VAL 35 3HG1 VAL 35 9.300 -0.238 -1.370 225 HG21 VAL 35 3HG2 VAL 35 10.916 1.572 -4.187 226 HG22 VAL 35 1HG2 VAL 35 10.088 0.078 -3.746 227 HG23 VAL 35 2HG2 VAL 35 9.196 1.598 -3.795 228 H ILE 36 H ILE 36 12.042 3.055 -1.168 229 HA ILE 36 HA ILE 36 12.004 5.815 -0.857 230 HB ILE 36 HB ILE 36 14.387 4.494 -2.089 231 HG12 ILE 36 2HG1 ILE 36 14.639 4.102 0.663 232 HG13 ILE 36 1HG1 ILE 36 12.996 3.585 0.298 233 HG21 ILE 36 1HG2 ILE 36 15.116 6.548 -1.545 234 HG22 ILE 36 2HG2 ILE 36 13.789 6.823 -0.415 235 HG23 ILE 36 3HG2 ILE 36 15.204 5.904 0.094 236 HD11 ILE 36 3HD1 ILE 36 13.695 1.849 -1.027 237 HD12 ILE 36 1HD1 ILE 36 15.238 2.617 -1.401 238 HD13 ILE 36 2HD1 ILE 36 14.974 1.899 0.186 239 H GLY 37 H GLY 37 11.379 7.308 -2.260 240 HA2 GLY 37 1HA GLY 37 11.882 8.672 -4.124 241 HA3 GLY 37 2HA GLY 37 12.565 7.273 -4.935 242 H SER 38 H SER 38 9.677 6.309 -3.616 243 HA SER 38 HA SER 38 8.447 6.332 -6.231 244 HB2 SER 38 1HB SER 38 7.133 5.342 -3.707 245 HB3 SER 38 2HB SER 38 6.873 4.803 -5.367 246 HG SER 38 HG SER 38 9.169 4.386 -3.750 247 H GLN 39 H GLN 39 7.031 7.768 -6.950 248 HA GLN 39 HA GLN 39 5.994 9.785 -5.137 249 HB2 GLN 39 1HB GLN 39 6.469 9.585 -8.009 250 HB3 GLN 39 2HB GLN 39 4.894 10.275 -7.635 251 HG2 GLN 39 1HG GLN 39 6.145 11.829 -6.046 252 HG3 GLN 39 2HG GLN 39 7.608 11.288 -6.866 253 HE21 GLN 39 1HE2 GLN 39 5.522 13.726 -6.755 254 HE22 GLN 39 2HE2 GLN 39 5.557 14.260 -8.403 255 H CYS 40 H CYS 40 4.469 8.848 -3.922 256 HA CYS 40 HA CYS 40 2.550 6.987 -4.923 257 HB2 CYS 40 1HB CYS 40 3.446 7.914 -2.384 258 HB3 CYS 40 2HB CYS 40 1.700 8.134 -2.453 259 H GLY 41 H GLY 41 1.087 7.686 -6.349 260 HA2 GLY 41 1HA GLY 41 -0.141 10.311 -6.072 261 HA3 GLY 41 2HA GLY 41 -0.444 9.142 -7.352 262 H ALA 42 H ALA 42 -0.641 7.334 -4.714 263 HA ALA 42 HA ALA 42 -3.519 7.835 -4.355 264 HB1 ALA 42 1HB ALA 42 -2.297 5.527 -5.200 265 HB2 ALA 42 2HB ALA 42 -2.531 5.230 -3.477 266 HB3 ALA 42 3HB ALA 42 -3.912 5.633 -4.499 267 H SER 43 H SER 43 -4.225 6.811 -2.124 268 HA SER 43 HA SER 43 -2.961 8.395 -0.132 269 HB2 SER 43 1HB SER 43 -4.804 6.229 0.703 270 HB3 SER 43 2HB SER 43 -4.815 7.942 1.119 271 HG SER 43 HG SER 43 -6.545 7.051 -0.341 272 H VAL 44 H VAL 44 -1.150 7.906 0.870 273 HA VAL 44 HA VAL 44 0.022 5.316 0.842 274 HB VAL 44 HB VAL 44 0.844 7.512 2.731 275 HG11 VAL 44 1HG1 VAL 44 2.886 6.029 1.279 276 HG12 VAL 44 2HG1 VAL 44 2.718 6.335 3.007 277 HG13 VAL 44 3HG1 VAL 44 1.843 4.999 2.261 278 HG21 VAL 44 3HG2 VAL 44 0.522 7.940 0.020 279 HG22 VAL 44 1HG2 VAL 44 1.545 8.875 1.109 280 HG23 VAL 44 2HG2 VAL 44 2.233 7.545 0.180 281 H LYS 45 H LYS 45 -0.385 3.671 2.137 282 HA LYS 45 HA LYS 45 -1.392 4.199 4.852 283 HB2 LYS 45 1HB LYS 45 -2.525 2.450 2.719 284 HB3 LYS 45 2HB LYS 45 -2.609 1.879 4.379 285 HG2 LYS 45 1HG LYS 45 -3.465 4.603 4.286 286 HG3 LYS 45 2HG LYS 45 -4.331 3.672 3.063 287 HD2 LYS 45 1HD LYS 45 -4.125 2.254 5.589 288 HD3 LYS 45 2HD LYS 45 -4.940 3.811 5.760 289 HE2 LYS 45 2HE LYS 45 -6.230 3.004 3.619 290 HE3 LYS 45 1HE LYS 45 -5.726 1.408 4.175 291 HZ1 LYS 45 3HZ LYS 45 -6.698 2.143 6.408 292 HZ2 LYS 45 1HZ LYS 45 -7.781 1.724 5.169 293 HZ3 LYS 45 2HZ LYS 45 -7.490 3.357 5.526 294 H CYS 46 H CYS 46 -0.423 3.060 6.425 295 HA CYS 46 HA CYS 46 1.838 1.405 5.645 296 HB2 CYS 46 1HB CYS 46 1.028 2.078 8.466 297 HB3 CYS 46 2HB CYS 46 2.630 1.681 7.854 298 H CYS 47 H CYS 47 0.728 -0.426 4.873 299 HA CYS 47 HA CYS 47 -0.521 -2.058 6.985 300 HB2 CYS 47 1HB CYS 47 -1.056 -2.642 4.112 301 HB3 CYS 47 2HB CYS 47 -2.100 -2.854 5.511 302 H LYS 48 H LYS 48 -0.287 -4.462 6.566 303 HA LYS 48 HA LYS 48 2.294 -5.047 5.258 304 HB2 LYS 48 1HB LYS 48 2.553 -5.172 7.693 305 HB3 LYS 48 2HB LYS 48 1.184 -6.272 7.796 306 HG2 LYS 48 1HG LYS 48 2.744 -7.632 6.076 307 HG3 LYS 48 2HG LYS 48 3.977 -6.789 7.014 308 HD2 LYS 48 1HD LYS 48 3.596 -8.031 8.848 309 HD3 LYS 48 2HD LYS 48 1.846 -7.976 8.634 310 HE2 LYS 48 2HE LYS 48 2.462 -9.591 6.597 311 HE3 LYS 48 1HE LYS 48 3.824 -9.956 7.655 312 HZ1 LYS 48 3HZ LYS 48 1.070 -9.980 8.717 313 HZ2 LYS 48 1HZ LYS 48 2.445 -10.797 9.285 314 HZ3 LYS 48 2HZ LYS 48 1.663 -11.326 7.871 315 H ASP 49 H ASP 49 -0.970 -6.004 5.960 316 HA ASP 49 HA ASP 49 -2.270 -7.765 5.396 317 HB2 ASP 49 1HB ASP 49 -1.539 -6.801 3.068 318 HB3 ASP 49 2HB ASP 49 -0.564 -8.264 2.966 319 H ASP 50 H ASP 50 -1.088 -10.083 3.750 320 HA ASP 50 HA ASP 50 0.862 -11.077 5.718 321 HB2 ASP 50 1HB ASP 50 -1.752 -12.072 5.451 322 HB3 ASP 50 2HB ASP 50 -0.712 -13.249 4.655 323 H VAL 51 H VAL 51 1.001 -9.867 3.081 324 HA VAL 51 HA VAL 51 1.768 -10.140 0.960 325 HB VAL 51 HB VAL 51 3.661 -12.220 2.015 326 HG11 VAL 51 1HG1 VAL 51 4.524 -11.858 -0.005 327 HG12 VAL 51 2HG1 VAL 51 3.462 -10.476 -0.285 328 HG13 VAL 51 3HG1 VAL 51 4.994 -10.256 0.565 329 HG21 VAL 51 3HG2 VAL 51 5.098 -10.318 2.804 330 HG22 VAL 51 1HG2 VAL 51 3.689 -9.269 2.641 331 HG23 VAL 51 2HG2 VAL 51 3.661 -10.612 3.784 332 H THR 52 H THR 52 -0.425 -11.316 0.788 333 HA THR 52 HA THR 52 -0.286 -14.124 0.236 334 HB THR 52 HB THR 52 -2.523 -12.444 -0.800 335 HG1 THR 52 1HG THR 52 -2.697 -11.505 1.106 336 HG21 THR 52 3HG2 THR 52 -2.308 -15.026 -0.802 337 HG22 THR 52 1HG2 THR 52 -3.837 -14.306 -0.297 338 HG23 THR 52 2HG2 THR 52 -2.701 -14.900 0.913 339 H ASN 53 H ASN 53 0.248 -15.054 -1.645 340 HA ASN 53 HA ASN 53 1.363 -13.347 -3.671 341 HB2 ASN 53 1HB ASN 53 2.070 -15.785 -2.731 342 HB3 ASN 53 2HB ASN 53 1.226 -16.244 -4.207 343 HD21 ASN 53 1HD2 ASN 53 3.910 -16.721 -3.900 344 HD22 ASN 53 2HD2 ASN 53 4.808 -15.697 -4.966 345 H THR 54 H THR 54 -1.171 -12.739 -3.724 346 HA THR 54 HA THR 54 -2.091 -13.879 -6.280 347 HB THR 54 HB THR 54 -4.114 -12.358 -4.837 348 HG1 THR 54 1HG THR 54 -3.212 -14.782 -3.622 349 HG21 THR 54 3HG2 THR 54 -5.486 -14.281 -5.355 350 HG22 THR 54 1HG2 THR 54 -4.058 -15.238 -5.740 351 HG23 THR 54 2HG2 THR 54 -4.505 -13.872 -6.762 352 H GLY 55 H GLY 55 -0.234 -11.628 -5.367 353 HA2 GLY 55 1HA GLY 55 -1.420 -9.535 -7.055 354 HA3 GLY 55 2HA GLY 55 -0.758 -9.124 -5.477 355 H ASN 56 H ASN 56 -0.097 -9.060 -8.654 356 HA ASN 56 HA ASN 56 2.804 -9.341 -8.218 357 HB2 ASN 56 1HB ASN 56 1.671 -10.705 -10.067 358 HB3 ASN 56 2HB ASN 56 1.436 -9.174 -10.906 359 HD21 ASN 56 1HD2 ASN 56 2.819 -9.202 -12.549 360 HD22 ASN 56 2HD2 ASN 56 4.516 -9.527 -12.421 361 H SER 57 H SER 57 0.367 -7.341 -9.846 362 HA SER 57 HA SER 57 2.156 -5.026 -9.474 363 HB2 SER 57 1HB SER 57 -0.021 -4.845 -11.477 364 HB3 SER 57 2HB SER 57 1.631 -4.230 -11.545 365 HG SER 57 HG SER 57 0.603 -6.675 -12.357 366 H PHE 58 H PHE 58 -0.706 -6.471 -8.525 367 HA PHE 58 HA PHE 58 -1.514 -4.048 -7.121 368 HB2 PHE 58 1HB PHE 58 -2.852 -4.732 -9.417 369 HB3 PHE 58 2HB PHE 58 -3.807 -5.551 -8.187 370 HD1 PHE 58 2HD PHE 58 -2.106 -2.236 -8.472 371 HD2 PHE 58 1HD PHE 58 -5.665 -4.381 -7.558 372 HE1 PHE 58 2HE PHE 58 -3.246 -0.120 -7.961 373 HE2 PHE 58 1HE PHE 58 -6.813 -2.270 -7.045 374 HZ PHE 58 HZ PHE 58 -5.601 -0.133 -7.246 375 H LEU 59 H LEU 59 -1.660 -4.578 -5.053 376 HA LEU 59 HA LEU 59 -2.497 -7.321 -4.361 377 HB2 LEU 59 1HB LEU 59 -0.439 -5.493 -3.197 378 HB3 LEU 59 2HB LEU 59 -1.255 -6.628 -2.139 379 HG LEU 59 HG LEU 59 -0.302 -7.979 -4.505 380 HD11 LEU 59 1HD1 LEU 59 1.590 -6.837 -4.860 381 HD12 LEU 59 2HD1 LEU 59 1.485 -5.992 -3.316 382 HD13 LEU 59 3HD1 LEU 59 2.160 -7.621 -3.386 383 HD21 LEU 59 3HD2 LEU 59 -0.665 -9.387 -2.749 384 HD22 LEU 59 1HD2 LEU 59 1.059 -9.090 -2.518 385 HD23 LEU 59 2HD2 LEU 59 -0.125 -8.211 -1.550 386 H ILE 60 H ILE 60 -4.436 -7.412 -3.435 387 HA ILE 60 HA ILE 60 -5.609 -5.000 -2.330 388 HB ILE 60 HB ILE 60 -6.731 -7.750 -2.858 389 HG12 ILE 60 2HG1 ILE 60 -8.357 -5.920 -4.067 390 HG13 ILE 60 1HG1 ILE 60 -6.799 -5.110 -4.167 391 HG21 ILE 60 1HG2 ILE 60 -8.942 -6.526 -2.186 392 HG22 ILE 60 2HG2 ILE 60 -7.928 -7.274 -0.952 393 HG23 ILE 60 3HG2 ILE 60 -7.857 -5.531 -1.212 394 HD11 ILE 60 3HD1 ILE 60 -7.552 -7.793 -5.286 395 HD12 ILE 60 1HD1 ILE 60 -7.089 -6.334 -6.164 396 HD13 ILE 60 2HD1 ILE 60 -5.891 -7.201 -5.205 397 H ILE 61 H ILE 61 -5.126 -4.475 -0.341 398 HA ILE 61 HA ILE 61 -4.230 -6.437 1.585 399 HB ILE 61 HB ILE 61 -4.800 -3.637 2.419 400 HG12 ILE 61 2HG1 ILE 61 -3.813 -3.389 0.159 401 HG13 ILE 61 1HG1 ILE 61 -2.784 -2.749 1.433 402 HG21 ILE 61 1HG2 ILE 61 -2.291 -5.193 2.898 403 HG22 ILE 61 2HG2 ILE 61 -3.029 -3.928 3.880 404 HG23 ILE 61 3HG2 ILE 61 -3.761 -5.531 3.812 405 HD11 ILE 61 3HD1 ILE 61 -2.186 -4.675 -0.561 406 HD12 ILE 61 1HD1 ILE 61 -1.119 -3.957 0.648 407 HD13 ILE 61 2HD1 ILE 61 -2.021 -5.427 1.026 408 H ASN 62 H ASN 62 -5.261 -7.051 3.428 409 HA ASN 62 HA ASN 62 -8.106 -6.724 3.588 410 HB2 ASN 62 1HB ASN 62 -6.653 -8.723 4.388 411 HB3 ASN 62 2HB ASN 62 -6.387 -7.749 5.830 412 HD21 ASN 62 1HD2 ASN 62 -8.494 -9.825 4.172 413 HD22 ASN 62 2HD2 ASN 62 -9.824 -9.755 5.293 414 H ALA 63 H ALA 63 -9.286 -5.476 5.024 415 HA ALA 63 HA ALA 63 -8.223 -2.963 5.654 416 HB1 ALA 63 1HB ALA 63 -10.317 -2.422 6.527 417 HB2 ALA 63 2HB ALA 63 -10.665 -3.657 5.317 418 HB3 ALA 63 3HB ALA 63 -10.640 -4.082 7.028 419 H ALA 64 H ALA 64 -8.546 -5.864 7.611 420 HA ALA 64 HA ALA 64 -7.947 -4.515 10.084 421 HB1 ALA 64 1HB ALA 64 -7.617 -7.129 10.673 422 HB2 ALA 64 2HB ALA 64 -9.178 -6.308 10.651 423 HB3 ALA 64 3HB ALA 64 -8.655 -7.244 9.251 424 H ASN 65 H ASN 65 -6.061 -5.368 7.501 425 HA ASN 65 HA ASN 65 -3.758 -6.099 9.177 426 HB2 ASN 65 1HB ASN 65 -4.705 -7.138 6.725 427 HB3 ASN 65 2HB ASN 65 -3.180 -6.324 6.380 428 HD21 ASN 65 1HD2 ASN 65 -3.905 -9.194 6.447 429 HD22 ASN 65 2HD2 ASN 65 -2.771 -9.907 7.542 430 H CYS 66 H CYS 66 -4.879 -3.423 8.742 431 HA CYS 66 HA CYS 66 -2.342 -2.124 8.067 432 HB2 CYS 66 1HB CYS 66 -4.203 -1.961 6.232 433 HB3 CYS 66 2HB CYS 66 -4.949 -0.812 7.339 434 H VAL 67 H VAL 67 -2.447 0.259 8.934 435 HA VAL 67 HA VAL 67 -3.136 0.033 11.723 436 HB VAL 67 HB VAL 67 -2.421 2.632 11.496 437 HG11 VAL 67 1HG1 VAL 67 -0.750 0.162 11.786 438 HG12 VAL 67 2HG1 VAL 67 -0.053 1.776 11.928 439 HG13 VAL 67 3HG1 VAL 67 -1.326 1.265 13.036 440 HG21 VAL 67 3HG2 VAL 67 -1.289 1.206 9.119 441 HG22 VAL 67 1HG2 VAL 67 -1.996 2.819 9.223 442 HG23 VAL 67 2HG2 VAL 67 -0.395 2.513 9.896 443 H ALA 68 H ALA 68 -3.956 2.480 9.259 444 HA ALA 68 HA ALA 68 -6.459 2.963 10.731 445 HB1 ALA 68 1HB ALA 68 -5.412 5.001 10.875 446 HB2 ALA 68 2HB ALA 68 -4.580 4.806 9.332 447 HB3 ALA 68 3HB ALA 68 -6.298 5.207 9.364 Start of MODEL 19 1 H1 SER 1 1H SER 1 -3.499 15.921 -1.586 2 H2 SER 1 2H SER 1 -3.100 14.280 -1.692 3 H3 SER 1 3H SER 1 -4.048 14.999 -2.899 4 HA SER 1 HA SER 1 -2.317 15.780 -3.997 5 HB2 SER 1 1HB SER 1 -0.643 16.300 -1.570 6 HB3 SER 1 2HB SER 1 -0.786 17.236 -3.058 7 HG SER 1 HG SER 1 -1.860 17.951 -0.921 8 H ALA 2 H ALA 2 -0.470 14.849 -4.889 9 HA ALA 2 HA ALA 2 0.056 12.164 -4.008 10 HB1 ALA 2 1HB ALA 2 1.874 12.937 -6.046 11 HB2 ALA 2 2HB ALA 2 0.465 11.885 -6.173 12 HB3 ALA 2 3HB ALA 2 0.296 13.621 -6.435 13 H THR 3 H THR 3 1.443 11.711 -2.456 14 HA THR 3 HA THR 3 3.755 13.483 -2.056 15 HB THR 3 HB THR 3 3.475 11.465 -0.013 16 HG1 THR 3 1HG THR 3 1.159 12.793 -0.851 17 HG21 THR 3 3HG2 THR 3 3.892 13.228 1.405 18 HG22 THR 3 1HG2 THR 3 2.950 14.364 0.441 19 HG23 THR 3 2HG2 THR 3 4.551 13.865 -0.103 20 H THR 4 H THR 4 5.777 12.747 -2.392 21 HA THR 4 HA THR 4 6.080 10.109 -3.536 22 HB THR 4 HB THR 4 8.591 11.450 -3.141 23 HG1 THR 4 1HG THR 4 6.505 13.004 -4.343 24 HG21 THR 4 3HG2 THR 4 7.208 11.321 -5.778 25 HG22 THR 4 1HG2 THR 4 7.620 9.810 -4.966 26 HG23 THR 4 2HG2 THR 4 8.886 10.969 -5.367 27 H ILE 5 H ILE 5 7.065 8.395 -2.591 28 HA ILE 5 HA ILE 5 7.815 8.704 0.219 29 HB ILE 5 HB ILE 5 7.988 6.047 -0.139 30 HG12 ILE 5 2HG1 ILE 5 5.667 5.758 -1.525 31 HG13 ILE 5 1HG1 ILE 5 6.420 7.076 -2.418 32 HG21 ILE 5 1HG2 ILE 5 5.335 6.241 0.365 33 HG22 ILE 5 2HG2 ILE 5 6.600 6.514 1.564 34 HG23 ILE 5 3HG2 ILE 5 5.869 7.884 0.727 35 HD11 ILE 5 3HD1 ILE 5 8.392 5.110 -1.954 36 HD12 ILE 5 1HD1 ILE 5 6.946 4.307 -2.567 37 HD13 ILE 5 2HD1 ILE 5 7.679 5.624 -3.483 38 H GLY 6 H GLY 6 9.880 9.198 0.515 39 HA2 GLY 6 1HA GLY 6 11.898 8.306 -1.383 40 HA3 GLY 6 2HA GLY 6 12.147 9.409 -0.038 41 HA PRO 7 HA PRO 7 14.170 5.832 1.660 42 HB2 PRO 7 1HB PRO 7 14.915 7.463 3.928 43 HB3 PRO 7 2HB PRO 7 15.932 6.900 2.600 44 HG2 PRO 7 1HG PRO 7 15.260 9.524 2.991 45 HG3 PRO 7 2HG PRO 7 15.664 8.831 1.410 46 HD2 PRO 7 1HD PRO 7 12.974 9.423 2.588 47 HD3 PRO 7 2HD PRO 7 13.559 9.664 0.925 48 H ASN 8 H ASN 8 11.834 5.142 2.020 49 HA ASN 8 HA ASN 8 10.303 4.113 3.324 50 HB2 ASN 8 1HB ASN 8 12.371 3.133 4.368 51 HB3 ASN 8 2HB ASN 8 12.260 4.380 5.610 52 HD21 ASN 8 1HD2 ASN 8 11.017 1.403 4.428 53 HD22 ASN 8 2HD2 ASN 8 9.898 1.105 5.727 54 H THR 9 H THR 9 8.585 5.401 3.506 55 HA THR 9 HA THR 9 8.615 7.448 5.619 56 HB THR 9 HB THR 9 6.618 7.297 3.366 57 HG1 THR 9 1HG THR 9 9.228 7.820 3.156 58 HG21 THR 9 3HG2 THR 9 5.816 8.770 4.977 59 HG22 THR 9 1HG2 THR 9 6.675 9.835 3.865 60 HG23 THR 9 2HG2 THR 9 7.429 9.357 5.387 61 H CYS 10 H CYS 10 8.313 5.263 6.867 62 HA CYS 10 HA CYS 10 5.568 5.197 7.683 63 HB2 CYS 10 1HB CYS 10 6.600 3.137 5.870 64 HB3 CYS 10 2HB CYS 10 5.877 2.488 7.339 65 H SER 11 H SER 11 6.145 5.612 9.750 66 HA SER 11 HA SER 11 7.832 3.594 11.070 67 HB2 SER 11 1HB SER 11 7.476 6.385 12.135 68 HB3 SER 11 2HB SER 11 8.756 5.222 12.488 69 HG SER 11 HG SER 11 8.735 5.728 9.859 70 H ILE 12 H ILE 12 6.343 2.237 11.867 71 HA ILE 12 HA ILE 12 4.642 3.266 14.016 72 HB ILE 12 HB ILE 12 3.584 1.368 11.906 73 HG12 ILE 12 2HG1 ILE 12 2.825 4.232 12.523 74 HG13 ILE 12 1HG1 ILE 12 3.617 3.660 11.061 75 HG21 ILE 12 1HG2 ILE 12 1.627 2.465 13.709 76 HG22 ILE 12 2HG2 ILE 12 1.990 0.780 13.334 77 HG23 ILE 12 3HG2 ILE 12 2.896 1.618 14.594 78 HD11 ILE 12 3HD1 ILE 12 1.659 2.507 10.361 79 HD12 ILE 12 1HD1 ILE 12 0.875 2.777 11.918 80 HD13 ILE 12 2HD1 ILE 12 1.177 4.136 10.836 81 H ASP 13 H ASP 13 5.554 0.342 12.241 82 HA ASP 13 HA ASP 13 6.957 -0.917 14.302 83 HB2 ASP 13 1HB ASP 13 4.628 -1.028 15.301 84 HB3 ASP 13 2HB ASP 13 4.168 -2.057 13.949 85 H ASP 14 H ASP 14 5.502 -3.559 13.303 86 HA ASP 14 HA ASP 14 7.125 -3.899 10.940 87 HB2 ASP 14 1HB ASP 14 6.765 -5.761 12.535 88 HB3 ASP 14 2HB ASP 14 5.047 -5.740 12.158 89 H TYR 15 H TYR 15 5.965 -1.971 10.019 90 HA TYR 15 HA TYR 15 3.685 -2.891 8.414 91 HB2 TYR 15 1HB TYR 15 3.953 -0.241 9.850 92 HB3 TYR 15 2HB TYR 15 2.763 -0.547 8.589 93 HD1 TYR 15 1HD TYR 15 1.082 -2.449 8.991 94 HD2 TYR 15 2HD TYR 15 3.484 -0.784 12.080 95 HE1 TYR 15 1HE TYR 15 -0.460 -3.362 10.674 96 HE2 TYR 15 2HE TYR 15 1.949 -1.693 13.774 97 HH TYR 15 HH TYR 15 0.290 -3.387 14.040 98 H LYS 16 H LYS 16 3.788 -2.302 6.290 99 HA LYS 16 HA LYS 16 6.333 -1.093 5.482 100 HB2 LYS 16 1HB LYS 16 4.398 -2.878 3.998 101 HB3 LYS 16 2HB LYS 16 5.817 -2.151 3.261 102 HG2 LYS 16 1HG LYS 16 6.997 -3.906 3.912 103 HG3 LYS 16 2HG LYS 16 6.722 -3.428 5.588 104 HD2 LYS 16 1HD LYS 16 4.375 -4.639 5.028 105 HD3 LYS 16 2HD LYS 16 5.467 -5.558 3.988 106 HE2 LYS 16 2HE LYS 16 6.473 -5.088 6.704 107 HE3 LYS 16 1HE LYS 16 5.015 -6.075 6.626 108 HZ1 LYS 16 3HZ LYS 16 6.210 -7.463 4.936 109 HZ2 LYS 16 1HZ LYS 16 6.859 -7.528 6.506 110 HZ3 LYS 16 2HZ LYS 16 7.623 -6.597 5.310 111 HA PRO 17 HA PRO 17 4.227 2.409 3.766 112 HB2 PRO 17 1HB PRO 17 5.947 3.151 1.812 113 HB3 PRO 17 2HB PRO 17 6.311 3.368 3.528 114 HG2 PRO 17 1HG PRO 17 7.263 1.262 1.639 115 HG3 PRO 17 2HG PRO 17 8.149 2.098 2.927 116 HD2 PRO 17 1HD PRO 17 7.110 -0.430 3.169 117 HD3 PRO 17 2HD PRO 17 7.400 0.661 4.537 118 H TYR 18 H TYR 18 2.380 1.598 2.861 119 HA TYR 18 HA TYR 18 2.545 0.505 0.143 120 HB2 TYR 18 1HB TYR 18 0.423 0.324 2.278 121 HB3 TYR 18 2HB TYR 18 0.156 -0.198 0.622 122 HD1 TYR 18 1HD TYR 18 2.033 -1.912 -0.265 123 HD2 TYR 18 2HD TYR 18 1.015 -1.257 3.811 124 HE1 TYR 18 1HE TYR 18 2.903 -4.145 0.309 125 HE2 TYR 18 2HE TYR 18 1.888 -3.474 4.395 126 HH TYR 18 HH TYR 18 3.706 -5.407 2.197 127 H CYS 19 H CYS 19 1.630 1.549 -1.533 128 HA CYS 19 HA CYS 19 0.336 4.112 -1.092 129 HB2 CYS 19 1HB CYS 19 1.450 2.631 -3.416 130 HB3 CYS 19 2HB CYS 19 0.134 3.751 -3.752 131 H CYS 20 H CYS 20 -1.611 3.621 -0.113 132 HA CYS 20 HA CYS 20 -3.217 1.442 -1.164 133 HB2 CYS 20 1HB CYS 20 -3.484 3.195 1.271 134 HB3 CYS 20 2HB CYS 20 -4.669 1.971 0.825 135 H GLN 21 H GLN 21 -4.541 1.823 -2.780 136 HA GLN 21 HA GLN 21 -6.168 4.274 -2.707 137 HB2 GLN 21 1HB GLN 21 -6.711 3.594 -5.130 138 HB3 GLN 21 2HB GLN 21 -5.116 4.258 -4.809 139 HG2 GLN 21 1HG GLN 21 -4.794 1.527 -4.470 140 HG3 GLN 21 2HG GLN 21 -5.871 1.677 -5.859 141 HE21 GLN 21 1HE2 GLN 21 -2.815 1.202 -5.180 142 HE22 GLN 21 2HE2 GLN 21 -2.040 2.068 -6.465 143 H SER 22 H SER 22 -8.441 4.062 -2.860 144 HA SER 22 HA SER 22 -9.412 1.663 -1.628 145 HB2 SER 22 1HB SER 22 -11.446 3.541 -2.543 146 HB3 SER 22 2HB SER 22 -11.061 3.013 -0.902 147 HG SER 22 HG SER 22 -10.545 5.130 -0.906 148 H MET 23 H MET 23 -9.933 -0.089 -2.730 149 HA MET 23 HA MET 23 -10.365 0.042 -5.588 150 HB2 MET 23 1HB MET 23 -9.712 -2.031 -3.608 151 HB3 MET 23 2HB MET 23 -10.768 -2.578 -4.905 152 HG2 MET 23 1HG MET 23 -7.953 -1.624 -5.022 153 HG3 MET 23 2HG MET 23 -8.699 -3.036 -5.770 154 HE1 MET 23 3HE MET 23 -7.962 0.999 -7.604 155 HE2 MET 23 1HE MET 23 -7.953 0.681 -5.869 156 HE3 MET 23 2HE MET 23 -6.819 -0.161 -6.927 157 H SER 24 H SER 24 -12.274 0.179 -6.527 158 HA SER 24 HA SER 24 -14.647 0.201 -4.893 159 HB2 SER 24 1HB SER 24 -14.658 0.533 -7.874 160 HB3 SER 24 2HB SER 24 -15.660 1.329 -6.659 161 HG SER 24 HG SER 24 -13.558 2.287 -5.934 162 H GLY 25 H GLY 25 -14.621 -2.093 -4.351 163 HA2 GLY 25 1HA GLY 25 -16.183 -3.864 -4.574 164 HA3 GLY 25 2HA GLY 25 -16.277 -3.532 -6.295 165 H SER 26 H SER 26 -13.285 -3.414 -6.417 166 HA SER 26 HA SER 26 -12.815 -6.124 -7.098 167 HB2 SER 26 1HB SER 26 -10.341 -4.849 -6.888 168 HB3 SER 26 2HB SER 26 -11.341 -4.961 -8.339 169 HG SER 26 HG SER 26 -11.446 -2.867 -8.190 170 H ALA 27 H ALA 27 -11.930 -4.087 -4.386 171 HA ALA 27 HA ALA 27 -11.637 -6.245 -2.572 172 HB1 ALA 27 1HB ALA 27 -9.492 -6.768 -2.958 173 HB2 ALA 27 2HB ALA 27 -9.255 -5.364 -3.997 174 HB3 ALA 27 3HB ALA 27 -9.092 -5.203 -2.249 175 H SER 28 H SER 28 -9.833 -4.794 -0.801 176 HA SER 28 HA SER 28 -11.567 -2.543 -0.129 177 HB2 SER 28 1HB SER 28 -9.458 -2.866 1.760 178 HB3 SER 28 2HB SER 28 -11.179 -3.204 1.969 179 HG SER 28 HG SER 28 -10.752 -5.253 1.869 180 H LEU 29 H LEU 29 -8.039 -3.043 0.112 181 HA LEU 29 HA LEU 29 -7.710 -0.385 -1.106 182 HB2 LEU 29 1HB LEU 29 -6.364 -1.568 1.305 183 HB3 LEU 29 2HB LEU 29 -5.624 -0.264 0.394 184 HG LEU 29 HG LEU 29 -8.396 -0.023 1.544 185 HD11 LEU 29 1HD1 LEU 29 -5.830 0.849 2.860 186 HD12 LEU 29 2HD1 LEU 29 -7.469 1.045 3.480 187 HD13 LEU 29 3HD1 LEU 29 -6.769 -0.566 3.335 188 HD21 LEU 29 3HD2 LEU 29 -6.464 1.744 0.181 189 HD22 LEU 29 1HD2 LEU 29 -8.228 1.763 0.170 190 HD23 LEU 29 2HD2 LEU 29 -7.346 2.444 1.538 191 H GLY 30 H GLY 30 -6.521 -0.394 -2.875 192 HA2 GLY 30 1HA GLY 30 -4.897 -2.718 -3.545 193 HA3 GLY 30 2HA GLY 30 -5.244 -1.346 -4.593 194 H CYS 31 H CYS 31 -3.396 -2.360 -1.782 195 HA CYS 31 HA CYS 31 -1.830 0.078 -1.831 196 HB2 CYS 31 1HB CYS 31 -1.586 -2.304 0.008 197 HB3 CYS 31 2HB CYS 31 -0.891 -0.705 0.250 198 H VAL 32 H VAL 32 -0.409 0.058 -3.506 199 HA VAL 32 HA VAL 32 1.236 -2.269 -4.020 200 HB VAL 32 HB VAL 32 2.302 0.124 -5.218 201 HG11 VAL 32 1HG1 VAL 32 0.824 -1.955 -6.750 202 HG12 VAL 32 2HG1 VAL 32 2.366 -1.171 -7.102 203 HG13 VAL 32 3HG1 VAL 32 2.275 -2.423 -5.861 204 HG21 VAL 32 3HG2 VAL 32 0.452 1.333 -5.557 205 HG22 VAL 32 1HG2 VAL 32 -0.010 0.085 -6.713 206 HG23 VAL 32 2HG2 VAL 32 -0.606 0.014 -5.055 207 H VAL 33 H VAL 33 3.335 -2.567 -3.358 208 HA VAL 33 HA VAL 33 4.230 -1.159 -1.081 209 HB VAL 33 HB VAL 33 4.927 -3.441 -1.363 210 HG11 VAL 33 1HG1 VAL 33 4.935 -3.583 -3.789 211 HG12 VAL 33 2HG1 VAL 33 6.367 -2.556 -3.861 212 HG13 VAL 33 3HG1 VAL 33 6.467 -4.158 -3.132 213 HG21 VAL 33 3HG2 VAL 33 7.604 -2.733 -1.648 214 HG22 VAL 33 1HG2 VAL 33 6.814 -1.290 -1.013 215 HG23 VAL 33 2HG2 VAL 33 6.679 -2.821 -0.148 216 H GLY 34 H GLY 34 5.075 0.787 -0.983 217 HA2 GLY 34 1HA GLY 34 5.568 2.303 -3.325 218 HA3 GLY 34 2HA GLY 34 5.861 2.825 -1.676 219 H VAL 35 H VAL 35 7.742 0.869 -0.936 220 HA VAL 35 HA VAL 35 9.999 0.736 -0.778 221 HB VAL 35 HB VAL 35 10.283 0.994 -3.757 222 HG11 VAL 35 1HG1 VAL 35 12.056 -0.587 -3.463 223 HG12 VAL 35 2HG1 VAL 35 12.247 0.673 -2.244 224 HG13 VAL 35 3HG1 VAL 35 11.574 -0.895 -1.795 225 HG21 VAL 35 3HG2 VAL 35 9.229 -0.931 -4.263 226 HG22 VAL 35 1HG2 VAL 35 9.714 -1.709 -2.756 227 HG23 VAL 35 2HG2 VAL 35 8.331 -0.615 -2.778 228 H ILE 36 H ILE 36 10.960 2.341 -3.605 229 HA ILE 36 HA ILE 36 11.207 4.909 -2.198 230 HB ILE 36 HB ILE 36 13.495 3.919 -3.860 231 HG12 ILE 36 2HG1 ILE 36 12.882 2.251 -1.977 232 HG13 ILE 36 1HG1 ILE 36 14.550 2.789 -2.111 233 HG21 ILE 36 1HG2 ILE 36 14.763 5.531 -2.688 234 HG22 ILE 36 2HG2 ILE 36 13.235 6.308 -3.104 235 HG23 ILE 36 3HG2 ILE 36 13.512 5.729 -1.462 236 HD11 ILE 36 3HD1 ILE 36 13.708 2.695 0.209 237 HD12 ILE 36 1HD1 ILE 36 14.267 4.297 -0.269 238 HD13 ILE 36 2HD1 ILE 36 12.539 3.951 -0.197 239 H GLY 37 H GLY 37 10.588 6.578 -3.449 240 HA2 GLY 37 1HA GLY 37 11.065 7.919 -5.377 241 HA3 GLY 37 2HA GLY 37 11.275 6.448 -6.307 242 H SER 38 H SER 38 8.815 5.231 -5.323 243 HA SER 38 HA SER 38 7.109 5.999 -7.369 244 HB2 SER 38 1HB SER 38 6.046 4.737 -4.864 245 HB3 SER 38 2HB SER 38 5.619 4.408 -6.543 246 HG SER 38 HG SER 38 7.649 3.365 -4.995 247 H GLN 39 H GLN 39 5.423 7.353 -7.590 248 HA GLN 39 HA GLN 39 5.076 9.405 -5.554 249 HB2 GLN 39 1HB GLN 39 4.693 9.192 -8.429 250 HB3 GLN 39 2HB GLN 39 3.300 9.919 -7.640 251 HG2 GLN 39 1HG GLN 39 4.388 11.837 -7.697 252 HG3 GLN 39 2HG GLN 39 5.482 11.174 -6.484 253 HE21 GLN 39 1HE2 GLN 39 6.600 12.994 -7.890 254 HE22 GLN 39 2HE2 GLN 39 7.651 12.360 -9.116 255 H CYS 40 H CYS 40 3.675 8.987 -3.965 256 HA CYS 40 HA CYS 40 1.459 7.176 -4.386 257 HB2 CYS 40 1HB CYS 40 3.007 7.853 -2.191 258 HB3 CYS 40 2HB CYS 40 1.465 8.631 -1.860 259 H GLY 41 H GLY 41 0.156 8.265 -5.853 260 HA2 GLY 41 1HA GLY 41 -0.875 10.891 -5.276 261 HA3 GLY 41 2HA GLY 41 -1.403 9.818 -6.566 262 H ALA 42 H ALA 42 -1.423 8.036 -3.832 263 HA ALA 42 HA ALA 42 -4.230 8.679 -3.237 264 HB1 ALA 42 1HB ALA 42 -3.846 6.547 -4.551 265 HB2 ALA 42 2HB ALA 42 -3.042 5.913 -3.115 266 HB3 ALA 42 3HB ALA 42 -4.742 6.372 -3.041 267 H SER 43 H SER 43 -4.490 6.858 -1.114 268 HA SER 43 HA SER 43 -3.326 8.399 0.979 269 HB2 SER 43 1HB SER 43 -4.436 6.015 2.030 270 HB3 SER 43 2HB SER 43 -5.165 7.622 1.993 271 HG SER 43 HG SER 43 -5.383 5.562 0.040 272 H VAL 44 H VAL 44 -1.199 8.194 1.360 273 HA VAL 44 HA VAL 44 0.246 5.737 1.163 274 HB VAL 44 HB VAL 44 1.246 7.893 2.959 275 HG11 VAL 44 1HG1 VAL 44 3.107 7.208 0.980 276 HG12 VAL 44 2HG1 VAL 44 3.081 6.684 2.664 277 HG13 VAL 44 3HG1 VAL 44 2.295 5.707 1.426 278 HG21 VAL 44 3HG2 VAL 44 0.225 8.491 0.367 279 HG22 VAL 44 1HG2 VAL 44 1.035 9.561 1.511 280 HG23 VAL 44 2HG2 VAL 44 1.981 8.646 0.337 281 H LYS 45 H LYS 45 -0.053 4.070 2.518 282 HA LYS 45 HA LYS 45 -0.642 4.666 5.342 283 HB2 LYS 45 1HB LYS 45 -2.065 2.720 3.528 284 HB3 LYS 45 2HB LYS 45 -2.164 2.628 5.281 285 HG2 LYS 45 1HG LYS 45 -3.086 4.912 5.319 286 HG3 LYS 45 2HG LYS 45 -3.051 4.930 3.555 287 HD2 LYS 45 1HD LYS 45 -5.195 4.233 3.836 288 HD3 LYS 45 2HD LYS 45 -4.401 2.659 3.917 289 HE2 LYS 45 2HE LYS 45 -5.130 2.356 5.992 290 HE3 LYS 45 1HE LYS 45 -4.386 3.868 6.507 291 HZ1 LYS 45 3HZ LYS 45 -6.344 4.896 6.533 292 HZ2 LYS 45 1HZ LYS 45 -7.055 3.361 6.424 293 HZ3 LYS 45 2HZ LYS 45 -6.801 4.279 5.023 294 H CYS 46 H CYS 46 0.185 3.276 6.846 295 HA CYS 46 HA CYS 46 2.197 1.385 5.873 296 HB2 CYS 46 1HB CYS 46 1.730 2.232 8.733 297 HB3 CYS 46 2HB CYS 46 3.175 1.498 8.044 298 H CYS 47 H CYS 47 0.515 -0.090 5.191 299 HA CYS 47 HA CYS 47 -1.165 -1.249 7.258 300 HB2 CYS 47 1HB CYS 47 -0.978 -1.924 4.319 301 HB3 CYS 47 2HB CYS 47 -2.234 -2.452 5.433 302 H LYS 48 H LYS 48 -1.404 -3.646 7.303 303 HA LYS 48 HA LYS 48 1.149 -5.024 6.828 304 HB2 LYS 48 1HB LYS 48 0.875 -4.844 9.202 305 HB3 LYS 48 2HB LYS 48 -0.808 -5.341 9.108 306 HG2 LYS 48 1HG LYS 48 -0.056 -7.363 9.658 307 HG3 LYS 48 2HG LYS 48 0.503 -7.473 7.989 308 HD2 LYS 48 1HD LYS 48 2.677 -7.227 8.567 309 HD3 LYS 48 2HD LYS 48 2.304 -6.075 9.853 310 HE2 LYS 48 2HE LYS 48 1.219 -8.311 10.884 311 HE3 LYS 48 1HE LYS 48 2.538 -9.011 9.944 312 HZ1 LYS 48 3HZ LYS 48 4.105 -7.665 11.108 313 HZ2 LYS 48 1HZ LYS 48 3.140 -8.458 12.257 314 HZ3 LYS 48 2HZ LYS 48 2.872 -6.819 11.915 315 H ASP 49 H ASP 49 1.032 -6.759 5.575 316 HA ASP 49 HA ASP 49 -1.094 -8.592 5.444 317 HB2 ASP 49 1HB ASP 49 -1.877 -6.425 4.068 318 HB3 ASP 49 2HB ASP 49 -0.915 -7.196 2.811 319 H ASP 50 H ASP 50 1.522 -6.985 3.777 320 HA ASP 50 HA ASP 50 3.553 -7.679 3.091 321 HB2 ASP 50 1HB ASP 50 3.141 -9.378 5.094 322 HB3 ASP 50 2HB ASP 50 3.096 -10.538 3.770 323 H VAL 51 H VAL 51 1.899 -10.745 2.525 324 HA VAL 51 HA VAL 51 1.897 -10.171 -0.352 325 HB VAL 51 HB VAL 51 2.856 -12.792 0.828 326 HG11 VAL 51 1HG1 VAL 51 1.636 -12.820 -1.400 327 HG12 VAL 51 2HG1 VAL 51 3.009 -11.922 -2.046 328 HG13 VAL 51 3HG1 VAL 51 3.248 -13.535 -1.372 329 HG21 VAL 51 3HG2 VAL 51 4.336 -10.405 -0.173 330 HG22 VAL 51 1HG2 VAL 51 4.693 -11.460 1.196 331 HG23 VAL 51 2HG2 VAL 51 5.007 -12.011 -0.451 332 H THR 52 H THR 52 -0.133 -10.425 -1.070 333 HA THR 52 HA THR 52 -2.058 -11.945 0.425 334 HB THR 52 HB THR 52 -3.030 -11.298 -2.185 335 HG1 THR 52 1HG THR 52 -2.484 -8.840 -1.311 336 HG21 THR 52 3HG2 THR 52 -4.554 -11.316 -0.411 337 HG22 THR 52 1HG2 THR 52 -4.351 -9.599 -0.761 338 HG23 THR 52 2HG2 THR 52 -3.517 -10.324 0.615 339 H ASN 53 H ASN 53 -1.956 -12.167 -3.071 340 HA ASN 53 HA ASN 53 -0.781 -14.775 -3.134 341 HB2 ASN 53 1HB ASN 53 -3.274 -15.043 -2.365 342 HB3 ASN 53 2HB ASN 53 -3.635 -14.747 -4.062 343 HD21 ASN 53 1HD2 ASN 53 -3.040 -17.083 -1.823 344 HD22 ASN 53 2HD2 ASN 53 -2.551 -18.368 -2.871 345 H THR 54 H THR 54 -3.304 -13.238 -5.098 346 HA THR 54 HA THR 54 -1.807 -13.704 -7.500 347 HB THR 54 HB THR 54 -4.237 -11.971 -7.433 348 HG1 THR 54 1HG THR 54 -4.560 -14.772 -7.410 349 HG21 THR 54 3HG2 THR 54 -2.892 -13.841 -9.302 350 HG22 THR 54 1HG2 THR 54 -3.678 -12.295 -9.618 351 HG23 THR 54 2HG2 THR 54 -4.651 -13.747 -9.381 352 H GLY 55 H GLY 55 -0.314 -12.407 -8.284 353 HA2 GLY 55 1HA GLY 55 -0.443 -9.523 -7.650 354 HA3 GLY 55 2HA GLY 55 1.020 -10.394 -8.106 355 H ASN 56 H ASN 56 -1.925 -8.939 -9.241 356 HA ASN 56 HA ASN 56 -1.592 -9.834 -11.953 357 HB2 ASN 56 1HB ASN 56 -3.468 -7.991 -12.268 358 HB3 ASN 56 2HB ASN 56 -3.837 -9.552 -11.544 359 HD21 ASN 56 1HD2 ASN 56 -5.230 -9.298 -9.954 360 HD22 ASN 56 2HD2 ASN 56 -5.189 -8.038 -8.767 361 H SER 57 H SER 57 -2.078 -6.470 -10.927 362 HA SER 57 HA SER 57 0.299 -5.725 -12.508 363 HB2 SER 57 1HB SER 57 -1.714 -3.620 -12.228 364 HB3 SER 57 2HB SER 57 -0.887 -4.202 -13.673 365 HG SER 57 HG SER 57 -2.400 -6.105 -13.363 366 H PHE 58 H PHE 58 -1.268 -5.709 -9.530 367 HA PHE 58 HA PHE 58 0.826 -4.216 -8.281 368 HB2 PHE 58 1HB PHE 58 -0.472 -2.434 -7.345 369 HB3 PHE 58 2HB PHE 58 -0.741 -2.414 -9.083 370 HD1 PHE 58 1HD PHE 58 -2.808 -4.510 -9.393 371 HD2 PHE 58 2HD PHE 58 -2.349 -1.489 -6.431 372 HE1 PHE 58 1HE PHE 58 -5.236 -4.524 -9.004 373 HE2 PHE 58 2HE PHE 58 -4.771 -1.506 -6.035 374 HZ PHE 58 HZ PHE 58 -6.220 -3.022 -7.323 375 H LEU 59 H LEU 59 0.011 -3.901 -5.797 376 HA LEU 59 HA LEU 59 -0.802 -6.600 -5.019 377 HB2 LEU 59 1HB LEU 59 1.180 -4.811 -4.085 378 HB3 LEU 59 2HB LEU 59 -0.003 -4.973 -2.799 379 HG LEU 59 HG LEU 59 0.345 -7.575 -3.444 380 HD11 LEU 59 1HD1 LEU 59 2.458 -8.109 -4.141 381 HD12 LEU 59 2HD1 LEU 59 2.185 -6.631 -5.062 382 HD13 LEU 59 3HD1 LEU 59 3.150 -6.586 -3.586 383 HD21 LEU 59 3HD2 LEU 59 0.440 -6.675 -1.210 384 HD22 LEU 59 1HD2 LEU 59 1.868 -7.669 -1.499 385 HD23 LEU 59 2HD2 LEU 59 1.993 -5.910 -1.545 386 H ILE 60 H ILE 60 -2.530 -6.996 -3.728 387 HA ILE 60 HA ILE 60 -4.223 -4.691 -3.037 388 HB ILE 60 HB ILE 60 -5.901 -6.875 -2.925 389 HG12 ILE 60 2HG1 ILE 60 -4.046 -7.164 -5.300 390 HG13 ILE 60 1HG1 ILE 60 -4.334 -8.347 -4.031 391 HG21 ILE 60 1HG2 ILE 60 -6.458 -4.674 -3.774 392 HG22 ILE 60 2HG2 ILE 60 -5.463 -4.951 -5.204 393 HG23 ILE 60 3HG2 ILE 60 -6.917 -5.915 -4.941 394 HD11 ILE 60 3HD1 ILE 60 -6.827 -8.109 -4.940 395 HD12 ILE 60 1HD1 ILE 60 -5.952 -7.680 -6.410 396 HD13 ILE 60 2HD1 ILE 60 -5.659 -9.235 -5.630 397 H ILE 61 H ILE 61 -4.894 -4.483 -0.966 398 HA ILE 61 HA ILE 61 -3.997 -6.547 0.935 399 HB ILE 61 HB ILE 61 -3.310 -3.647 0.826 400 HG12 ILE 61 2HG1 ILE 61 -1.358 -5.021 2.198 401 HG13 ILE 61 1HG1 ILE 61 -1.984 -6.242 1.095 402 HG21 ILE 61 1HG2 ILE 61 -4.546 -3.742 2.912 403 HG22 ILE 61 2HG2 ILE 61 -3.597 -5.136 3.430 404 HG23 ILE 61 3HG2 ILE 61 -2.819 -3.566 3.222 405 HD11 ILE 61 3HD1 ILE 61 -0.491 -5.378 -0.316 406 HD12 ILE 61 1HD1 ILE 61 -1.708 -4.125 -0.569 407 HD13 ILE 61 2HD1 ILE 61 -0.383 -3.855 0.565 408 H ASN 62 H ASN 62 -5.263 -6.848 2.733 409 HA ASN 62 HA ASN 62 -8.004 -5.972 2.485 410 HB2 ASN 62 1HB ASN 62 -7.430 -8.282 3.166 411 HB3 ASN 62 2HB ASN 62 -6.689 -7.654 4.634 412 HD21 ASN 62 1HD2 ASN 62 -8.060 -8.741 6.000 413 HD22 ASN 62 2HD2 ASN 62 -9.737 -8.341 6.163 414 H ALA 63 H ALA 63 -9.006 -4.412 3.598 415 HA ALA 63 HA ALA 63 -7.398 -2.603 5.162 416 HB1 ALA 63 1HB ALA 63 -10.331 -2.455 4.475 417 HB2 ALA 63 2HB ALA 63 -9.344 -1.150 5.134 418 HB3 ALA 63 3HB ALA 63 -9.017 -1.773 3.516 419 H ALA 64 H ALA 64 -7.593 -5.024 6.462 420 HA ALA 64 HA ALA 64 -9.052 -4.195 8.886 421 HB1 ALA 64 1HB ALA 64 -9.025 -6.765 9.361 422 HB2 ALA 64 2HB ALA 64 -10.264 -6.083 8.308 423 HB3 ALA 64 3HB ALA 64 -8.863 -6.898 7.611 424 H ASN 65 H ASN 65 -6.567 -6.459 7.780 425 HA ASN 65 HA ASN 65 -4.884 -6.192 10.044 426 HB2 ASN 65 1HB ASN 65 -3.180 -7.042 8.130 427 HB3 ASN 65 2HB ASN 65 -4.318 -8.114 8.942 428 HD21 ASN 65 1HD2 ASN 65 -3.255 -6.935 6.006 429 HD22 ASN 65 2HD2 ASN 65 -4.537 -7.536 5.003 430 H CYS 66 H CYS 66 -5.264 -4.430 7.073 431 HA CYS 66 HA CYS 66 -2.987 -2.732 7.496 432 HB2 CYS 66 1HB CYS 66 -3.654 -2.779 5.255 433 HB3 CYS 66 2HB CYS 66 -5.364 -2.691 5.656 434 H VAL 67 H VAL 67 -2.888 -0.874 8.650 435 HA VAL 67 HA VAL 67 -5.048 -0.372 10.491 436 HB VAL 67 HB VAL 67 -3.480 1.343 11.455 437 HG11 VAL 67 1HG1 VAL 67 -1.751 -0.505 12.115 438 HG12 VAL 67 2HG1 VAL 67 -3.437 -0.637 12.618 439 HG13 VAL 67 3HG1 VAL 67 -2.854 -1.565 11.235 440 HG21 VAL 67 3HG2 VAL 67 -1.688 2.011 10.329 441 HG22 VAL 67 1HG2 VAL 67 -1.074 0.358 10.285 442 HG23 VAL 67 2HG2 VAL 67 -2.135 0.940 9.001 443 H ALA 68 H ALA 68 -4.436 2.480 10.831 444 HA ALA 68 HA ALA 68 -5.540 3.625 8.381 445 HB1 ALA 68 1HB ALA 68 -7.475 2.892 9.722 446 HB2 ALA 68 2HB ALA 68 -6.919 3.912 11.049 447 HB3 ALA 68 3HB ALA 68 -7.415 4.644 9.523 Start of MODEL 20 1 H1 SER 1 1H SER 1 -3.683 14.777 -0.344 2 H2 SER 1 2H SER 1 -2.924 13.307 -0.711 3 H3 SER 1 3H SER 1 -3.914 14.064 -1.863 4 HA SER 1 HA SER 1 -2.389 15.610 -2.418 5 HB2 SER 1 1HB SER 1 -0.538 15.361 -0.164 6 HB3 SER 1 2HB SER 1 -1.267 16.807 -0.865 7 HG SER 1 HG SER 1 -2.065 16.588 1.205 8 H ALA 2 H ALA 2 -0.554 15.281 -3.622 9 HA ALA 2 HA ALA 2 0.320 12.539 -3.840 10 HB1 ALA 2 1HB ALA 2 -0.090 14.140 -5.776 11 HB2 ALA 2 2HB ALA 2 1.452 14.881 -5.348 12 HB3 ALA 2 3HB ALA 2 1.393 13.188 -5.835 13 H THR 3 H THR 3 1.812 11.765 -2.490 14 HA THR 3 HA THR 3 4.065 13.523 -1.765 15 HB THR 3 HB THR 3 3.797 11.440 0.154 16 HG1 THR 3 1HG THR 3 1.404 12.596 -0.699 17 HG21 THR 3 3HG2 THR 3 4.598 14.001 0.139 18 HG22 THR 3 1HG2 THR 3 4.160 13.145 1.617 19 HG23 THR 3 2HG2 THR 3 2.990 14.206 0.832 20 H THR 4 H THR 4 6.018 12.809 -2.280 21 HA THR 4 HA THR 4 6.264 10.221 -3.575 22 HB THR 4 HB THR 4 8.634 11.983 -3.202 23 HG1 THR 4 1HG THR 4 7.153 13.570 -3.704 24 HG21 THR 4 3HG2 THR 4 9.364 10.602 -4.790 25 HG22 THR 4 1HG2 THR 4 8.179 11.297 -5.893 26 HG23 THR 4 2HG2 THR 4 7.766 9.871 -4.941 27 H ILE 5 H ILE 5 6.378 8.596 -2.110 28 HA ILE 5 HA ILE 5 7.806 8.893 0.364 29 HB ILE 5 HB ILE 5 6.968 6.848 1.007 30 HG12 ILE 5 2HG1 ILE 5 6.107 5.619 -1.471 31 HG13 ILE 5 1HG1 ILE 5 7.836 5.958 -1.501 32 HG21 ILE 5 1HG2 ILE 5 5.054 8.165 0.705 33 HG22 ILE 5 2HG2 ILE 5 5.094 7.975 -1.047 34 HG23 ILE 5 3HG2 ILE 5 4.653 6.609 -0.022 35 HD11 ILE 5 3HD1 ILE 5 6.379 3.917 -0.080 36 HD12 ILE 5 1HD1 ILE 5 8.108 4.061 -0.394 37 HD13 ILE 5 2HD1 ILE 5 7.395 4.864 1.005 38 H GLY 6 H GLY 6 9.575 7.532 1.041 39 HA2 GLY 6 1HA GLY 6 11.305 6.715 -1.200 40 HA3 GLY 6 2HA GLY 6 11.920 7.696 0.121 41 HA PRO 7 HA PRO 7 13.111 3.663 1.570 42 HB2 PRO 7 1HB PRO 7 14.591 4.971 3.674 43 HB3 PRO 7 2HB PRO 7 15.207 4.195 2.217 44 HG2 PRO 7 1HG PRO 7 15.331 6.890 2.674 45 HG3 PRO 7 2HG PRO 7 15.308 6.159 1.059 46 HD2 PRO 7 1HD PRO 7 13.070 7.415 2.605 47 HD3 PRO 7 2HD PRO 7 13.458 7.540 0.875 48 H ASN 8 H ASN 8 10.832 3.387 2.333 49 HA ASN 8 HA ASN 8 9.482 2.509 3.930 50 HB2 ASN 8 1HB ASN 8 12.005 1.855 4.799 51 HB3 ASN 8 2HB ASN 8 11.340 2.696 6.195 52 HD21 ASN 8 1HD2 ASN 8 9.995 1.626 7.501 53 HD22 ASN 8 2HD2 ASN 8 9.333 0.063 7.176 54 H THR 9 H THR 9 8.205 4.376 3.842 55 HA THR 9 HA THR 9 8.746 6.636 5.517 56 HB THR 9 HB THR 9 6.035 6.464 4.501 57 HG1 THR 9 1HG THR 9 6.492 6.175 2.365 58 HG21 THR 9 3HG2 THR 9 8.397 8.287 4.158 59 HG22 THR 9 1HG2 THR 9 6.865 8.608 4.967 60 HG23 THR 9 2HG2 THR 9 6.927 8.508 3.209 61 H CYS 10 H CYS 10 7.465 3.634 6.178 62 HA CYS 10 HA CYS 10 5.825 4.701 8.373 63 HB2 CYS 10 1HB CYS 10 5.626 2.085 6.876 64 HB3 CYS 10 2HB CYS 10 4.775 2.391 8.387 65 H SER 11 H SER 11 6.681 4.529 10.312 66 HA SER 11 HA SER 11 8.705 2.432 10.767 67 HB2 SER 11 1HB SER 11 8.605 4.958 12.387 68 HB3 SER 11 2HB SER 11 9.977 3.899 12.054 69 HG SER 11 HG SER 11 8.750 5.807 10.358 70 H ILE 12 H ILE 12 6.343 1.467 11.151 71 HA ILE 12 HA ILE 12 5.847 1.686 14.045 72 HB ILE 12 HB ILE 12 3.705 0.729 12.184 73 HG12 ILE 12 2HG1 ILE 12 3.998 3.630 12.966 74 HG13 ILE 12 1HG1 ILE 12 4.588 3.009 11.428 75 HG21 ILE 12 1HG2 ILE 12 2.509 2.117 14.168 76 HG22 ILE 12 2HG2 ILE 12 2.886 0.397 14.252 77 HG23 ILE 12 3HG2 ILE 12 3.974 1.575 14.987 78 HD11 ILE 12 3HD1 ILE 12 2.569 3.189 10.550 79 HD12 ILE 12 1HD1 ILE 12 1.886 2.171 11.817 80 HD13 ILE 12 2HD1 ILE 12 2.011 3.913 12.057 81 H ASP 13 H ASP 13 7.512 0.029 14.192 82 HA ASP 13 HA ASP 13 8.040 -2.078 14.830 83 HB2 ASP 13 1HB ASP 13 5.654 -1.952 15.757 84 HB3 ASP 13 2HB ASP 13 5.187 -2.914 14.359 85 H ASP 14 H ASP 14 5.448 -3.165 12.712 86 HA ASP 14 HA ASP 14 7.474 -4.258 10.877 87 HB2 ASP 14 1HB ASP 14 6.621 -5.972 12.487 88 HB3 ASP 14 2HB ASP 14 5.007 -5.717 11.838 89 H TYR 15 H TYR 15 5.063 -2.138 11.111 90 HA TYR 15 HA TYR 15 3.485 -2.894 8.817 91 HB2 TYR 15 1HB TYR 15 3.558 -0.360 10.466 92 HB3 TYR 15 2HB TYR 15 2.435 -0.639 9.137 93 HD1 TYR 15 2HD TYR 15 1.022 -2.852 9.319 94 HD2 TYR 15 1HD TYR 15 2.893 -0.922 12.618 95 HE1 TYR 15 2HE TYR 15 -0.522 -3.995 10.856 96 HE2 TYR 15 1HE TYR 15 1.359 -2.056 14.165 97 HH TYR 15 HH TYR 15 -0.940 -3.067 14.054 98 H LYS 16 H LYS 16 3.936 -2.490 6.776 99 HA LYS 16 HA LYS 16 6.323 -0.929 6.152 100 HB2 LYS 16 1HB LYS 16 4.643 -2.826 4.503 101 HB3 LYS 16 2HB LYS 16 6.035 -1.955 3.878 102 HG2 LYS 16 1HG LYS 16 7.535 -3.187 5.171 103 HG3 LYS 16 2HG LYS 16 6.268 -3.753 6.265 104 HD2 LYS 16 1HD LYS 16 5.594 -5.404 4.849 105 HD3 LYS 16 2HD LYS 16 5.984 -4.470 3.405 106 HE2 LYS 16 2HE LYS 16 7.815 -5.713 3.190 107 HE3 LYS 16 1HE LYS 16 8.436 -4.943 4.649 108 HZ1 LYS 16 3HZ LYS 16 7.263 -6.706 5.932 109 HZ2 LYS 16 1HZ LYS 16 8.534 -7.280 4.964 110 HZ3 LYS 16 2HZ LYS 16 6.926 -7.494 4.471 111 HA PRO 17 HA PRO 17 3.969 2.333 4.231 112 HB2 PRO 17 1HB PRO 17 5.764 3.295 2.478 113 HB3 PRO 17 2HB PRO 17 5.970 3.490 4.223 114 HG2 PRO 17 1HG PRO 17 7.271 1.551 2.361 115 HG3 PRO 17 2HG PRO 17 7.969 2.435 3.729 116 HD2 PRO 17 1HD PRO 17 7.148 -0.196 3.820 117 HD3 PRO 17 2HD PRO 17 7.289 0.864 5.234 118 H TYR 18 H TYR 18 2.328 1.941 2.878 119 HA TYR 18 HA TYR 18 2.921 0.626 0.313 120 HB2 TYR 18 1HB TYR 18 0.926 -0.027 2.417 121 HB3 TYR 18 2HB TYR 18 0.400 -0.189 0.744 122 HD1 TYR 18 1HD TYR 18 2.680 -1.462 3.319 123 HD2 TYR 18 2HD TYR 18 1.330 -1.905 -0.692 124 HE1 TYR 18 1HE TYR 18 3.781 -3.656 3.197 125 HE2 TYR 18 2HE TYR 18 2.427 -4.104 -0.826 126 HH TYR 18 HH TYR 18 3.164 -5.942 1.320 127 H CYS 19 H CYS 19 1.894 1.388 -1.471 128 HA CYS 19 HA CYS 19 0.526 3.960 -1.178 129 HB2 CYS 19 1HB CYS 19 2.568 3.327 -2.795 130 HB3 CYS 19 2HB CYS 19 1.243 2.845 -3.848 131 H CYS 20 H CYS 20 -1.460 2.977 -0.462 132 HA CYS 20 HA CYS 20 -2.783 1.237 -2.412 133 HB2 CYS 20 1HB CYS 20 -3.857 1.759 0.332 134 HB3 CYS 20 2HB CYS 20 -4.039 0.334 -0.682 135 H GLN 21 H GLN 21 -4.735 1.674 -3.280 136 HA GLN 21 HA GLN 21 -5.862 4.336 -2.772 137 HB2 GLN 21 1HB GLN 21 -7.184 2.829 -4.870 138 HB3 GLN 21 2HB GLN 21 -6.423 4.410 -4.948 139 HG2 GLN 21 1HG GLN 21 -4.756 1.933 -4.982 140 HG3 GLN 21 2HG GLN 21 -5.560 2.491 -6.448 141 HE21 GLN 21 1HE2 GLN 21 -2.680 2.388 -5.304 142 HE22 GLN 21 2HE2 GLN 21 -2.043 3.938 -5.741 143 H SER 22 H SER 22 -7.726 4.514 -1.662 144 HA SER 22 HA SER 22 -8.741 2.148 -0.404 145 HB2 SER 22 1HB SER 22 -10.216 4.681 -0.051 146 HB3 SER 22 2HB SER 22 -9.568 3.572 1.158 147 HG SER 22 HG SER 22 -8.246 5.252 1.373 148 H MET 23 H MET 23 -10.184 0.872 -1.309 149 HA MET 23 HA MET 23 -11.811 1.752 -3.514 150 HB2 MET 23 1HB MET 23 -11.412 -0.861 -2.089 151 HB3 MET 23 2HB MET 23 -12.761 -0.657 -3.200 152 HG2 MET 23 1HG MET 23 -10.279 0.262 -4.357 153 HG3 MET 23 2HG MET 23 -10.176 -1.420 -3.834 154 HE1 MET 23 3HE MET 23 -12.207 -3.471 -5.722 155 HE2 MET 23 1HE MET 23 -10.715 -3.049 -6.566 156 HE3 MET 23 2HE MET 23 -10.739 -3.142 -4.806 157 H SER 24 H SER 24 -13.557 2.885 -3.184 158 HA SER 24 HA SER 24 -14.685 3.474 -0.736 159 HB2 SER 24 1HB SER 24 -16.662 3.841 -2.740 160 HB3 SER 24 2HB SER 24 -15.574 5.046 -2.051 161 HG SER 24 HG SER 24 -14.336 4.941 -3.773 162 H GLY 25 H GLY 25 -15.579 2.057 0.603 163 HA2 GLY 25 1HA GLY 25 -17.260 0.741 1.454 164 HA3 GLY 25 2HA GLY 25 -18.106 0.909 -0.074 165 H SER 26 H SER 26 -15.115 -0.223 -0.851 166 HA SER 26 HA SER 26 -16.240 -2.903 -1.174 167 HB2 SER 26 1HB SER 26 -13.645 -2.206 -2.428 168 HB3 SER 26 2HB SER 26 -15.032 -3.068 -3.099 169 HG SER 26 HG SER 26 -15.890 -0.648 -2.676 170 H ALA 27 H ALA 27 -14.004 -1.239 0.739 171 HA ALA 27 HA ALA 27 -12.754 -1.875 2.518 172 HB1 ALA 27 1HB ALA 27 -13.575 -3.578 3.666 173 HB2 ALA 27 2HB ALA 27 -14.563 -3.990 2.267 174 HB3 ALA 27 3HB ALA 27 -12.978 -4.734 2.477 175 H SER 28 H SER 28 -12.390 -4.547 0.161 176 HA SER 28 HA SER 28 -9.622 -4.846 0.609 177 HB2 SER 28 1HB SER 28 -10.937 -5.581 -1.991 178 HB3 SER 28 2HB SER 28 -9.679 -6.440 -1.100 179 HG SER 28 HG SER 28 -11.185 -7.142 0.364 180 H LEU 29 H LEU 29 -8.098 -3.414 0.159 181 HA LEU 29 HA LEU 29 -8.632 -1.361 -1.849 182 HB2 LEU 29 1HB LEU 29 -6.157 -1.178 -0.269 183 HB3 LEU 29 2HB LEU 29 -7.349 0.053 -0.642 184 HG LEU 29 HG LEU 29 -8.493 -1.836 1.188 185 HD11 LEU 29 1HD1 LEU 29 -6.650 -2.442 2.326 186 HD12 LEU 29 2HD1 LEU 29 -5.686 -1.118 1.672 187 HD13 LEU 29 3HD1 LEU 29 -6.777 -0.828 3.025 188 HD21 LEU 29 3HD2 LEU 29 -9.277 0.053 2.163 189 HD22 LEU 29 1HD2 LEU 29 -7.728 0.886 2.048 190 HD23 LEU 29 2HD2 LEU 29 -8.771 0.766 0.632 191 H GLY 30 H GLY 30 -7.416 -1.050 -3.627 192 HA2 GLY 30 1HA GLY 30 -5.478 -3.089 -4.361 193 HA3 GLY 30 2HA GLY 30 -6.062 -1.781 -5.387 194 H CYS 31 H CYS 31 -3.375 -2.879 -3.890 195 HA CYS 31 HA CYS 31 -2.427 -0.159 -3.292 196 HB2 CYS 31 1HB CYS 31 -2.937 -1.627 -1.291 197 HB3 CYS 31 2HB CYS 31 -1.579 -2.629 -1.798 198 H VAL 32 H VAL 32 -0.400 0.392 -3.866 199 HA VAL 32 HA VAL 32 1.227 -1.593 -5.306 200 HB VAL 32 HB VAL 32 1.617 1.408 -5.230 201 HG11 VAL 32 1HG1 VAL 32 2.603 -0.500 -7.325 202 HG12 VAL 32 2HG1 VAL 32 3.145 1.142 -6.981 203 HG13 VAL 32 3HG1 VAL 32 3.526 -0.166 -5.860 204 HG21 VAL 32 3HG2 VAL 32 -0.600 0.550 -6.246 205 HG22 VAL 32 1HG2 VAL 32 0.377 1.684 -7.177 206 HG23 VAL 32 2HG2 VAL 32 0.416 -0.036 -7.565 207 H VAL 33 H VAL 33 3.159 -2.222 -4.426 208 HA VAL 33 HA VAL 33 3.727 -1.687 -1.725 209 HB VAL 33 HB VAL 33 5.697 -2.690 -3.792 210 HG11 VAL 33 1HG1 VAL 33 5.591 -2.981 -0.792 211 HG12 VAL 33 2HG1 VAL 33 6.731 -3.814 -1.849 212 HG13 VAL 33 3HG1 VAL 33 6.767 -2.056 -1.725 213 HG21 VAL 33 3HG2 VAL 33 4.628 -4.796 -2.215 214 HG22 VAL 33 1HG2 VAL 33 3.279 -3.886 -2.897 215 HG23 VAL 33 2HG2 VAL 33 4.515 -4.561 -3.960 216 H GLY 34 H GLY 34 4.446 0.136 -0.869 217 HA2 GLY 34 1HA GLY 34 5.469 2.264 -2.454 218 HA3 GLY 34 2HA GLY 34 5.356 2.232 -0.700 219 H VAL 35 H VAL 35 7.431 2.354 -3.250 220 HA VAL 35 HA VAL 35 9.663 1.382 -1.589 221 HB VAL 35 HB VAL 35 10.862 1.130 -3.872 222 HG11 VAL 35 1HG1 VAL 35 10.601 -0.857 -2.772 223 HG12 VAL 35 2HG1 VAL 35 8.850 -0.684 -2.646 224 HG13 VAL 35 3HG1 VAL 35 9.582 -1.151 -4.182 225 HG21 VAL 35 3HG2 VAL 35 9.703 1.540 -5.723 226 HG22 VAL 35 1HG2 VAL 35 8.537 0.294 -5.276 227 HG23 VAL 35 2HG2 VAL 35 8.295 1.960 -4.749 228 H ILE 36 H ILE 36 11.796 2.393 -2.735 229 HA ILE 36 HA ILE 36 11.699 5.155 -2.146 230 HB ILE 36 HB ILE 36 13.899 3.891 -3.763 231 HG12 ILE 36 2HG1 ILE 36 14.528 3.782 -0.992 232 HG13 ILE 36 1HG1 ILE 36 12.963 3.005 -1.210 233 HG21 ILE 36 1HG2 ILE 36 15.092 5.466 -1.942 234 HG22 ILE 36 2HG2 ILE 36 14.554 6.037 -3.522 235 HG23 ILE 36 3HG2 ILE 36 13.545 6.297 -2.098 236 HD11 ILE 36 3HD1 ILE 36 13.960 1.568 -2.946 237 HD12 ILE 36 1HD1 ILE 36 15.527 2.305 -2.616 238 HD13 ILE 36 2HD1 ILE 36 14.712 1.369 -1.363 239 H GLY 37 H GLY 37 10.595 6.538 -3.375 240 HA2 GLY 37 1HA GLY 37 10.660 7.960 -5.308 241 HA3 GLY 37 2HA GLY 37 11.221 6.589 -6.253 242 H SER 38 H SER 38 8.515 6.654 -3.986 243 HA SER 38 HA SER 38 6.718 6.175 -6.272 244 HB2 SER 38 1HB SER 38 6.071 5.296 -3.470 245 HB3 SER 38 2HB SER 38 5.454 4.671 -4.999 246 HG SER 38 HG SER 38 8.019 4.292 -3.852 247 H GLN 39 H GLN 39 5.864 8.131 -6.688 248 HA GLN 39 HA GLN 39 5.074 9.920 -4.569 249 HB2 GLN 39 1HB GLN 39 5.886 10.516 -6.972 250 HB3 GLN 39 2HB GLN 39 4.215 10.213 -7.430 251 HG2 GLN 39 1HG GLN 39 3.423 11.959 -6.036 252 HG3 GLN 39 2HG GLN 39 4.998 12.143 -5.266 253 HE21 GLN 39 1HE2 GLN 39 6.037 13.869 -5.907 254 HE22 GLN 39 2HE2 GLN 39 5.975 14.576 -7.487 255 H CYS 40 H CYS 40 3.502 9.028 -3.356 256 HA CYS 40 HA CYS 40 1.316 7.542 -4.419 257 HB2 CYS 40 1HB CYS 40 2.024 8.646 -1.719 258 HB3 CYS 40 2HB CYS 40 0.414 8.001 -2.005 259 H GLY 41 H GLY 41 -0.114 8.518 -5.710 260 HA2 GLY 41 1HA GLY 41 -0.973 11.240 -5.288 261 HA3 GLY 41 2HA GLY 41 -1.614 10.109 -6.476 262 H ALA 42 H ALA 42 -1.922 8.134 -4.208 263 HA ALA 42 HA ALA 42 -4.529 9.091 -3.294 264 HB1 ALA 42 1HB ALA 42 -3.530 6.559 -4.154 265 HB2 ALA 42 2HB ALA 42 -4.089 6.413 -2.489 266 HB3 ALA 42 3HB ALA 42 -5.182 7.011 -3.735 267 H SER 43 H SER 43 -3.558 6.634 -1.304 268 HA SER 43 HA SER 43 -2.585 8.527 0.729 269 HB2 SER 43 1HB SER 43 -4.528 6.228 1.001 270 HB3 SER 43 2HB SER 43 -3.755 6.997 2.386 271 HG SER 43 HG SER 43 -5.153 8.539 2.245 272 H VAL 44 H VAL 44 -0.611 8.077 1.463 273 HA VAL 44 HA VAL 44 0.583 5.483 1.078 274 HB VAL 44 HB VAL 44 2.135 7.260 0.908 275 HG11 VAL 44 1HG1 VAL 44 0.515 8.500 2.903 276 HG12 VAL 44 2HG1 VAL 44 2.200 8.534 3.422 277 HG13 VAL 44 3HG1 VAL 44 1.744 9.219 1.863 278 HG21 VAL 44 3HG2 VAL 44 3.005 5.347 2.143 279 HG22 VAL 44 1HG2 VAL 44 3.746 6.849 2.699 280 HG23 VAL 44 2HG2 VAL 44 2.485 6.078 3.661 281 H LYS 45 H LYS 45 0.112 3.839 2.342 282 HA LYS 45 HA LYS 45 -0.903 4.405 5.048 283 HB2 LYS 45 1HB LYS 45 -1.518 2.023 3.289 284 HB3 LYS 45 2HB LYS 45 -2.235 2.382 4.854 285 HG2 LYS 45 1HG LYS 45 -2.812 4.656 3.513 286 HG3 LYS 45 2HG LYS 45 -2.848 3.477 2.202 287 HD2 LYS 45 1HD LYS 45 -5.054 3.578 3.057 288 HD3 LYS 45 2HD LYS 45 -4.357 2.076 3.666 289 HE2 LYS 45 2HE LYS 45 -5.683 3.555 5.300 290 HE3 LYS 45 1HE LYS 45 -4.131 2.907 5.825 291 HZ1 LYS 45 3HZ LYS 45 -3.422 5.264 4.733 292 HZ2 LYS 45 1HZ LYS 45 -3.708 5.016 6.384 293 HZ3 LYS 45 2HZ LYS 45 -4.931 5.649 5.390 294 H CYS 46 H CYS 46 -0.523 2.765 6.666 295 HA CYS 46 HA CYS 46 2.035 1.364 6.232 296 HB2 CYS 46 1HB CYS 46 0.862 2.255 8.876 297 HB3 CYS 46 2HB CYS 46 2.460 1.569 8.607 298 H CYS 47 H CYS 47 1.286 -0.558 5.514 299 HA CYS 47 HA CYS 47 -0.655 -1.971 7.220 300 HB2 CYS 47 1HB CYS 47 -0.082 -2.853 4.427 301 HB3 CYS 47 2HB CYS 47 -1.574 -2.973 5.354 302 H LYS 48 H LYS 48 -0.243 -4.122 7.789 303 HA LYS 48 HA LYS 48 2.498 -4.985 7.684 304 HB2 LYS 48 1HB LYS 48 0.251 -5.635 9.240 305 HB3 LYS 48 2HB LYS 48 0.625 -7.098 8.337 306 HG2 LYS 48 1HG LYS 48 2.838 -7.161 9.213 307 HG3 LYS 48 2HG LYS 48 2.654 -5.564 9.938 308 HD2 LYS 48 1HD LYS 48 0.658 -6.690 11.196 309 HD3 LYS 48 2HD LYS 48 1.507 -8.185 10.795 310 HE2 LYS 48 2HE LYS 48 3.068 -5.951 11.988 311 HE3 LYS 48 1HE LYS 48 1.987 -6.864 13.037 312 HZ1 LYS 48 3HZ LYS 48 3.114 -8.909 12.246 313 HZ2 LYS 48 1HZ LYS 48 4.133 -7.866 13.113 314 HZ3 LYS 48 2HZ LYS 48 4.235 -7.940 11.420 315 H ASP 49 H ASP 49 -0.573 -6.044 6.296 316 HA ASP 49 HA ASP 49 -1.132 -6.766 4.236 317 HB2 ASP 49 1HB ASP 49 0.042 -5.228 3.015 318 HB3 ASP 49 2HB ASP 49 1.577 -5.627 3.770 319 H ASP 50 H ASP 50 -0.903 -8.652 2.812 320 HA ASP 50 HA ASP 50 0.780 -10.738 4.038 321 HB2 ASP 50 1HB ASP 50 -1.790 -10.864 4.395 322 HB3 ASP 50 2HB ASP 50 -1.835 -11.383 2.713 323 H VAL 51 H VAL 51 1.996 -9.447 2.121 324 HA VAL 51 HA VAL 51 1.656 -10.319 -0.501 325 HB VAL 51 HB VAL 51 3.217 -8.568 -0.136 326 HG11 VAL 51 1HG1 VAL 51 4.788 -10.458 1.605 327 HG12 VAL 51 2HG1 VAL 51 5.295 -8.835 1.140 328 HG13 VAL 51 3HG1 VAL 51 3.864 -9.057 2.145 329 HG21 VAL 51 3HG2 VAL 51 4.725 -11.052 -0.940 330 HG22 VAL 51 1HG2 VAL 51 3.801 -9.988 -2.001 331 HG23 VAL 51 2HG2 VAL 51 5.270 -9.398 -1.223 332 H THR 52 H THR 52 1.255 -12.399 -0.899 333 HA THR 52 HA THR 52 2.484 -14.513 0.606 334 HB THR 52 HB THR 52 1.077 -15.369 -1.786 335 HG1 THR 52 1HG THR 52 -0.151 -13.462 -0.047 336 HG21 THR 52 3HG2 THR 52 1.286 -16.011 1.011 337 HG22 THR 52 1HG2 THR 52 0.689 -17.007 -0.316 338 HG23 THR 52 2HG2 THR 52 -0.409 -15.923 0.538 339 H ASN 53 H ASN 53 2.286 -13.941 -2.897 340 HA ASN 53 HA ASN 53 5.104 -14.333 -3.276 341 HB2 ASN 53 1HB ASN 53 4.085 -16.692 -3.027 342 HB3 ASN 53 2HB ASN 53 3.316 -16.387 -4.580 343 HD21 ASN 53 1HD2 ASN 53 4.549 -18.274 -5.230 344 HD22 ASN 53 2HD2 ASN 53 6.194 -18.075 -5.741 345 H THR 54 H THR 54 1.912 -14.414 -4.757 346 HA THR 54 HA THR 54 2.855 -13.076 -7.149 347 HB THR 54 HB THR 54 0.083 -13.190 -7.243 348 HG1 THR 54 1HG THR 54 0.989 -15.675 -6.185 349 HG21 THR 54 3HG2 THR 54 1.513 -13.802 -9.089 350 HG22 THR 54 1HG2 THR 54 0.473 -15.176 -8.709 351 HG23 THR 54 2HG2 THR 54 2.157 -15.174 -8.187 352 H GLY 55 H GLY 55 3.234 -10.942 -6.900 353 HA2 GLY 55 1HA GLY 55 1.491 -8.948 -6.860 354 HA3 GLY 55 2HA GLY 55 1.521 -9.350 -5.148 355 H ASN 56 H ASN 56 2.908 -7.499 -7.554 356 HA ASN 56 HA ASN 56 5.073 -6.718 -5.725 357 HB2 ASN 56 1HB ASN 56 6.154 -8.093 -7.405 358 HB3 ASN 56 2HB ASN 56 5.367 -7.194 -8.699 359 HD21 ASN 56 1HD2 ASN 56 7.175 -6.461 -9.695 360 HD22 ASN 56 2HD2 ASN 56 8.284 -5.344 -8.980 361 H SER 57 H SER 57 3.680 -5.794 -8.889 362 HA SER 57 HA SER 57 3.937 -3.000 -8.261 363 HB2 SER 57 1HB SER 57 2.309 -3.172 -10.488 364 HB3 SER 57 2HB SER 57 4.070 -3.065 -10.513 365 HG SER 57 HG SER 57 2.397 -5.263 -10.923 366 H PHE 58 H PHE 58 1.473 -5.441 -8.092 367 HA PHE 58 HA PHE 58 -0.278 -3.515 -6.777 368 HB2 PHE 58 1HB PHE 58 -0.787 -4.287 -9.362 369 HB3 PHE 58 2HB PHE 58 -1.747 -5.435 -8.437 370 HD1 PHE 58 2HD PHE 58 -1.018 -1.778 -8.533 371 HD2 PHE 58 1HD PHE 58 -3.895 -4.848 -7.898 372 HE1 PHE 58 2HE PHE 58 -2.768 -0.072 -8.236 373 HE2 PHE 58 1HE PHE 58 -5.648 -3.150 -7.601 374 HZ PHE 58 HZ PHE 58 -5.086 -0.756 -7.768 375 H LEU 59 H LEU 59 -0.952 -4.250 -4.928 376 HA LEU 59 HA LEU 59 -1.349 -7.140 -4.559 377 HB2 LEU 59 1HB LEU 59 0.529 -5.438 -3.206 378 HB3 LEU 59 2HB LEU 59 -0.679 -5.983 -2.060 379 HG LEU 59 HG LEU 59 0.623 -8.002 -3.831 380 HD11 LEU 59 1HD1 LEU 59 1.887 -7.203 -1.238 381 HD12 LEU 59 2HD1 LEU 59 2.551 -8.171 -2.553 382 HD13 LEU 59 3HD1 LEU 59 2.354 -6.429 -2.752 383 HD21 LEU 59 3HD2 LEU 59 0.117 -9.494 -2.090 384 HD22 LEU 59 1HD2 LEU 59 -0.127 -8.188 -0.928 385 HD23 LEU 59 2HD2 LEU 59 -1.298 -8.448 -2.224 386 H ILE 60 H ILE 60 -3.060 -7.675 -3.136 387 HA ILE 60 HA ILE 60 -4.962 -5.465 -2.770 388 HB ILE 60 HB ILE 60 -5.535 -8.431 -2.862 389 HG12 ILE 60 2HG1 ILE 60 -4.776 -7.538 -5.036 390 HG13 ILE 60 1HG1 ILE 60 -6.469 -8.022 -5.081 391 HG21 ILE 60 1HG2 ILE 60 -7.161 -7.251 -1.517 392 HG22 ILE 60 2HG2 ILE 60 -7.393 -6.058 -2.796 393 HG23 ILE 60 3HG2 ILE 60 -7.892 -7.730 -3.050 394 HD11 ILE 60 3HD1 ILE 60 -5.699 -5.789 -6.170 395 HD12 ILE 60 1HD1 ILE 60 -7.215 -5.858 -5.273 396 HD13 ILE 60 2HD1 ILE 60 -5.773 -5.179 -4.518 397 H ILE 61 H ILE 61 -5.381 -4.793 -0.795 398 HA ILE 61 HA ILE 61 -4.662 -6.534 1.477 399 HB ILE 61 HB ILE 61 -4.768 -3.513 1.356 400 HG12 ILE 61 2HG1 ILE 61 -2.330 -5.150 1.966 401 HG13 ILE 61 1HG1 ILE 61 -2.813 -4.890 0.294 402 HG21 ILE 61 1HG2 ILE 61 -4.942 -5.309 3.577 403 HG22 ILE 61 2HG2 ILE 61 -3.445 -4.380 3.674 404 HG23 ILE 61 3HG2 ILE 61 -4.996 -3.546 3.561 405 HD11 ILE 61 3HD1 ILE 61 -2.118 -2.787 2.322 406 HD12 ILE 61 1HD1 ILE 61 -1.176 -3.259 0.907 407 HD13 ILE 61 2HD1 ILE 61 -2.734 -2.454 0.702 408 H ASN 62 H ASN 62 -6.213 -7.065 2.904 409 HA ASN 62 HA ASN 62 -8.928 -6.423 2.201 410 HB2 ASN 62 1HB ASN 62 -7.778 -8.665 3.178 411 HB3 ASN 62 2HB ASN 62 -8.423 -7.973 4.664 412 HD21 ASN 62 1HD2 ASN 62 -10.166 -9.152 5.093 413 HD22 ASN 62 2HD2 ASN 62 -11.471 -9.449 3.991 414 H ALA 63 H ALA 63 -7.891 -4.090 2.950 415 HA ALA 63 HA ALA 63 -8.482 -2.235 4.104 416 HB1 ALA 63 1HB ALA 63 -10.450 -2.813 5.886 417 HB2 ALA 63 2HB ALA 63 -10.704 -2.442 4.180 418 HB3 ALA 63 3HB ALA 63 -10.630 -4.120 4.717 419 H ALA 64 H ALA 64 -8.755 -4.859 6.537 420 HA ALA 64 HA ALA 64 -8.077 -2.998 8.614 421 HB1 ALA 64 1HB ALA 64 -8.850 -4.568 10.073 422 HB2 ALA 64 2HB ALA 64 -9.666 -5.108 8.607 423 HB3 ALA 64 3HB ALA 64 -8.192 -5.917 9.146 424 H ASN 65 H ASN 65 -6.164 -4.740 6.536 425 HA ASN 65 HA ASN 65 -4.073 -5.418 8.403 426 HB2 ASN 65 1HB ASN 65 -4.682 -6.169 5.798 427 HB3 ASN 65 2HB ASN 65 -3.228 -5.191 5.626 428 HD21 ASN 65 1HD2 ASN 65 -4.238 -8.223 5.921 429 HD22 ASN 65 2HD2 ASN 65 -2.890 -8.935 6.728 430 H CYS 66 H CYS 66 -5.037 -2.687 6.574 431 HA CYS 66 HA CYS 66 -2.534 -1.266 7.089 432 HB2 CYS 66 1HB CYS 66 -5.057 -0.347 5.683 433 HB3 CYS 66 2HB CYS 66 -3.562 0.572 5.801 434 H VAL 67 H VAL 67 -2.462 -0.831 9.248 435 HA VAL 67 HA VAL 67 -4.827 -0.053 10.694 436 HB VAL 67 HB VAL 67 -3.320 0.158 12.644 437 HG11 VAL 67 1HG1 VAL 67 -3.814 -2.218 11.085 438 HG12 VAL 67 2HG1 VAL 67 -2.332 -2.376 12.027 439 HG13 VAL 67 3HG1 VAL 67 -3.853 -1.992 12.833 440 HG21 VAL 67 3HG2 VAL 67 -0.950 -1.003 11.834 441 HG22 VAL 67 1HG2 VAL 67 -1.295 0.162 10.554 442 HG23 VAL 67 2HG2 VAL 67 -1.191 0.698 12.231 443 H ALA 68 H ALA 68 -2.115 1.548 9.213 444 HA ALA 68 HA ALA 68 -3.186 4.130 10.133 445 HB1 ALA 68 1HB ALA 68 -0.344 4.095 9.400 446 HB2 ALA 68 2HB ALA 68 -1.160 4.884 10.751 447 HB3 ALA 68 3HB ALA 68 -0.743 3.173 10.851
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