NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627926 | 5o57 | 34146 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 18 H MET 18 -59.233 -34.619 -7.203 2 HA MET 18 HA MET 18 -59.294 -33.032 -8.845 3 HB2 MET 18 HB1 MET 18 -61.727 -32.059 -7.331 4 HB3 MET 18 HB2 MET 18 -61.169 -31.375 -8.865 5 HG2 MET 18 HG1 MET 18 -62.107 -33.001 -10.066 6 HG3 MET 18 HG2 MET 18 -61.463 -34.254 -9.001 7 HE1 MET 18 HE1 MET 18 -65.246 -32.189 -9.419 8 HE2 MET 18 HE2 MET 18 -64.821 -31.578 -7.820 9 HE3 MET 18 HE3 MET 18 -63.711 -31.356 -9.173 10 H LEU 19 H LEU 19 -57.744 -32.795 -6.433 11 HA LEU 19 HA LEU 19 -57.594 -29.867 -6.150 12 HB2 LEU 19 HB1 LEU 19 -57.326 -32.088 -4.252 13 HB3 LEU 19 HB2 LEU 19 -56.034 -30.881 -4.141 14 HG LEU 19 HG LEU 19 -57.842 -30.439 -2.552 15 HD11 LEU 19 HD11 LEU 19 -57.251 -28.318 -2.775 16 HD12 LEU 19 HD12 LEU 19 -58.409 -28.134 -4.094 17 HD13 LEU 19 HD13 LEU 19 -56.748 -28.617 -4.439 18 HD21 LEU 19 HD21 LEU 19 -59.714 -31.376 -3.744 19 HD22 LEU 19 HD22 LEU 19 -59.544 -30.179 -5.029 20 HD23 LEU 19 HD23 LEU 19 -60.033 -29.674 -3.411 21 H VAL 20 H VAL 20 -56.104 -29.102 -7.505 22 HA VAL 20 HA VAL 20 -53.907 -30.595 -8.487 23 HB VAL 20 HB VAL 20 -53.129 -28.513 -9.480 24 HG11 VAL 20 HG11 VAL 20 -54.995 -28.068 -10.895 25 HG12 VAL 20 HG12 VAL 20 -55.065 -29.775 -10.454 26 HG13 VAL 20 HG13 VAL 20 -56.134 -28.614 -9.665 27 HG21 VAL 20 HG21 VAL 20 -55.059 -26.621 -8.871 28 HG22 VAL 20 HG22 VAL 20 -54.665 -27.348 -7.314 29 HG23 VAL 20 HG23 VAL 20 -53.390 -26.637 -8.303 30 H LEU 21 H LEU 21 -51.754 -30.572 -7.950 31 HA LEU 21 HA LEU 21 -51.086 -30.100 -5.245 32 HB2 LEU 21 HB1 LEU 21 -49.743 -31.081 -7.667 33 HB3 LEU 21 HB2 LEU 21 -48.674 -30.264 -6.513 34 HG LEU 21 HG LEU 21 -50.446 -32.614 -5.847 35 HD11 LEU 21 HD11 LEU 21 -48.671 -34.030 -6.147 36 HD12 LEU 21 HD12 LEU 21 -47.473 -32.751 -5.950 37 HD13 LEU 21 HD13 LEU 21 -48.390 -32.877 -7.452 38 HD21 LEU 21 HD21 LEU 21 -48.494 -30.960 -4.291 39 HD22 LEU 21 HD22 LEU 21 -48.789 -32.646 -3.864 40 HD23 LEU 21 HD23 LEU 21 -50.118 -31.485 -3.846 41 H ASP 22 H ASP 22 -49.938 -28.485 -4.264 42 HA ASP 22 HA ASP 22 -49.111 -26.200 -5.911 43 HB2 ASP 22 HB1 ASP 22 -50.204 -24.613 -4.572 44 HB3 ASP 22 HB2 ASP 22 -51.401 -25.898 -4.777 45 HD2 ASP 22 HD ASP 22 -51.354 -26.705 -1.416 46 H PHE 23 H PHE 23 -47.640 -24.713 -4.753 47 HA PHE 23 HA PHE 23 -46.025 -26.161 -2.759 48 HB2 PHE 23 HB1 PHE 23 -45.278 -24.727 -5.242 49 HB3 PHE 23 HB2 PHE 23 -44.240 -24.432 -3.845 50 HD1 PHE 23 HD1 PHE 23 -42.523 -25.890 -3.340 51 HD2 PHE 23 HD2 PHE 23 -45.741 -27.232 -5.782 52 HE1 PHE 23 HE1 PHE 23 -41.331 -28.005 -3.744 53 HE2 PHE 23 HE2 PHE 23 -44.555 -29.348 -6.188 54 HZ PHE 23 HZ PHE 23 -42.348 -29.737 -5.169 55 H ASN 24 H ASN 24 -46.405 -22.840 -4.010 56 HA ASN 24 HA ASN 24 -47.296 -21.758 -1.565 57 HB2 ASN 24 HB1 ASN 24 -44.489 -22.204 -1.699 58 HB3 ASN 24 HB2 ASN 24 -44.756 -20.460 -1.802 59 HD21 ASN 24 HD21 ASN 24 -44.410 -19.625 0.124 60 HD22 ASN 24 HD22 ASN 24 -45.036 -20.224 1.618 61 H ASN 25 H ASN 25 -45.245 -20.961 -4.366 62 HA ASN 25 HA ASN 25 -45.349 -19.291 -5.906 63 HB2 ASN 25 HB1 ASN 25 -48.200 -19.834 -5.224 64 HB3 ASN 25 HB2 ASN 25 -47.851 -18.368 -6.149 65 HD21 ASN 25 HD21 ASN 25 -47.743 -21.843 -6.152 66 HD22 ASN 25 HD22 ASN 25 -47.503 -22.035 -7.852 67 H ILE 26 H ILE 26 -44.060 -17.965 -4.482 68 HA ILE 26 HA ILE 26 -45.414 -15.480 -3.837 69 HB ILE 26 HB ILE 26 -44.263 -15.383 -1.584 70 HG12 ILE 26 HG11 ILE 26 -44.348 -18.347 -1.467 71 HG13 ILE 26 HG12 ILE 26 -42.993 -17.636 -2.359 72 HG21 ILE 26 HG21 ILE 26 -46.447 -17.429 -1.952 73 HG22 ILE 26 HG22 ILE 26 -46.054 -16.594 -0.450 74 HG23 ILE 26 HG23 ILE 26 -46.672 -15.684 -1.828 75 HD11 ILE 26 HD11 ILE 26 -42.910 -16.138 -0.129 76 HD12 ILE 26 HD12 ILE 26 -43.542 -17.649 0.525 77 HD13 ILE 26 HD13 ILE 26 -42.009 -17.638 -0.345 78 H ARG 27 H ARG 27 -43.992 -15.187 -5.812 79 HA ARG 27 HA ARG 27 -41.162 -14.862 -5.187 80 HB2 ARG 27 HB1 ARG 27 -42.793 -15.045 -7.659 81 HB3 ARG 27 HB2 ARG 27 -41.345 -14.028 -7.739 82 HG2 ARG 27 HG1 ARG 27 -39.901 -15.789 -7.466 83 HG3 ARG 27 HG2 ARG 27 -41.104 -16.771 -6.613 84 HD2 ARG 27 HD1 ARG 27 -41.062 -17.858 -8.636 85 HD3 ARG 27 HD2 ARG 27 -42.354 -16.683 -8.921 86 HE ARG 27 HE ARG 27 -39.938 -15.514 -9.697 87 HH11 ARG 27 HH11 ARG 27 -42.038 -18.124 -10.643 88 HH12 ARG 27 HH12 ARG 27 -41.592 -18.050 -12.315 89 HH21 ARG 27 HH21 ARG 27 -39.341 -15.408 -11.896 90 HH22 ARG 27 HH22 ARG 27 -40.057 -16.505 -13.027 91 H SER 28 H SER 28 -40.564 -13.020 -4.263 92 HA SER 28 HA SER 28 -41.143 -10.499 -5.472 93 HB2 SER 28 HB1 SER 28 -42.066 -9.674 -3.101 94 HB3 SER 28 HB2 SER 28 -43.143 -10.280 -4.371 95 HG SER 28 HG SER 28 -42.154 -11.693 -2.123 96 H SER 29 H SER 29 -39.172 -9.656 -5.408 97 HA SER 29 HA SER 29 -37.845 -9.318 -2.847 98 HB2 SER 29 HB1 SER 29 -35.641 -10.094 -4.052 99 HB3 SER 29 HB2 SER 29 -36.723 -11.294 -3.323 100 HG SER 29 HG SER 29 -35.911 -11.390 -5.723 101 H ALA 30 H ALA 30 -37.084 -7.317 -2.724 102 HA ALA 30 HA ALA 30 -35.697 -6.026 -4.846 103 HB1 ALA 30 HB1 ALA 30 -37.558 -4.087 -4.714 104 HB2 ALA 30 HB2 ALA 30 -37.538 -5.341 -5.954 105 HB3 ALA 30 HB3 ALA 30 -38.583 -5.513 -4.543 106 H ASP 31 H ASP 31 -34.113 -5.448 -3.450 107 HA ASP 31 HA ASP 31 -34.526 -3.184 -1.783 108 HB2 ASP 31 HB1 ASP 31 -35.342 -5.305 -0.448 109 HB3 ASP 31 HB2 ASP 31 -33.609 -5.552 -0.198 110 HD2 ASP 31 HD ASP 31 -33.619 -3.265 2.330 111 H LEU 32 H LEU 32 -32.844 -2.381 -3.058 112 HA LEU 32 HA LEU 32 -30.194 -3.163 -2.147 113 HB2 LEU 32 HB1 LEU 32 -30.902 -4.411 -4.317 114 HB3 LEU 32 HB2 LEU 32 -30.620 -2.842 -5.091 115 HG LEU 32 HG LEU 32 -28.475 -4.098 -3.423 116 HD11 LEU 32 HD11 LEU 32 -29.581 -5.183 -5.859 117 HD12 LEU 32 HD12 LEU 32 -28.344 -5.844 -4.789 118 HD13 LEU 32 HD13 LEU 32 -27.893 -4.715 -6.068 119 HD21 LEU 32 HD21 LEU 32 -28.700 -1.996 -5.519 120 HD22 LEU 32 HD22 LEU 32 -27.195 -2.906 -5.390 121 HD23 LEU 32 HD23 LEU 32 -27.795 -1.991 -4.006 122 H HIS 33 H HIS 33 -29.183 -1.368 -1.568 123 HA HIS 33 HA HIS 33 -28.895 0.890 -3.227 124 HB2 HIS 33 HB1 HIS 33 -30.120 2.539 -1.790 125 HB3 HIS 33 HB2 HIS 33 -31.166 1.440 -2.693 126 HD1 HIS 33 HD1 HIS 33 -32.476 -0.356 -1.349 127 HD2 HIS 33 HD2 HIS 33 -30.263 2.266 0.993 128 HE1 HIS 33 HE1 HIS 33 -33.308 -0.688 1.002 129 HE2 HIS 33 HE2 HIS 33 -31.956 0.916 2.433 130 H GLY 34 H GLY 34 -27.548 2.538 -2.281 131 HA2 GLY 34 HA2 GLY 34 -26.608 3.016 0.138 132 HA3 GLY 34 HA3 GLY 34 -25.882 1.440 -0.143 133 HA1 GLY 34 HA1 GLY 34 -26.718 3.319 -0.683 134 H ALA 35 H ALA 35 -25.652 4.795 -0.691 135 HA ALA 35 HA ALA 35 -22.999 4.608 -1.657 136 HB1 ALA 35 HB1 ALA 35 -23.224 4.558 -3.862 137 HB2 ALA 35 HB2 ALA 35 -24.965 4.362 -3.657 138 HB3 ALA 35 HB3 ALA 35 -24.273 5.975 -3.820 139 H ARG 36 H ARG 36 -22.096 6.294 -0.694 140 HA ARG 36 HA ARG 36 -23.027 8.961 -1.124 141 HB2 ARG 36 HB1 ARG 36 -23.257 9.437 1.374 142 HB3 ARG 36 HB2 ARG 36 -24.595 8.586 0.588 143 HG2 ARG 36 HG1 ARG 36 -23.708 6.441 1.431 144 HG3 ARG 36 HG2 ARG 36 -22.441 7.340 2.282 145 HD2 ARG 36 HD1 ARG 36 -23.909 8.253 3.817 146 HD3 ARG 36 HD2 ARG 36 -25.292 8.089 2.729 147 HE ARG 36 HE ARG 36 -24.654 5.523 3.227 148 HH11 ARG 36 HH11 ARG 36 -25.159 8.269 5.309 149 HH12 ARG 36 HH12 ARG 36 -25.746 7.320 6.635 150 HH21 ARG 36 HH21 ARG 36 -25.425 4.264 4.966 151 HH22 ARG 36 HH22 ARG 36 -25.896 5.043 6.439 152 H LYS 37 H LYS 37 -21.099 9.785 -1.627 153 HA LYS 37 HA LYS 37 -19.071 9.989 0.399 154 HB2 LYS 37 HB1 LYS 37 -18.903 7.835 -1.416 155 HB3 LYS 37 HB2 LYS 37 -17.703 9.027 -1.944 156 HG2 LYS 37 HG1 LYS 37 -16.331 8.138 -0.440 157 HG3 LYS 37 HG2 LYS 37 -17.338 8.929 0.787 158 HD2 LYS 37 HD1 LYS 37 -18.373 6.998 1.403 159 HD3 LYS 37 HD2 LYS 37 -18.295 6.319 -0.232 160 HE2 LYS 37 HE1 LYS 37 -16.191 5.453 0.061 161 HE3 LYS 37 HE2 LYS 37 -15.740 6.696 1.238 162 HZ1 LYS 37 HZ1 LYS 37 -17.031 4.137 1.661 163 HZ2 LYS 37 HZ2 LYS 37 -17.673 5.416 2.562 164 HZ3 LYS 37 HZ3 LYS 37 -16.031 5.031 2.693 165 H GLY 38 H GLY 38 -18.539 12.064 0.293 166 HA2 GLY 38 HA2 GLY 38 -18.657 13.436 -2.300 167 HA3 GLY 38 HA3 GLY 38 -18.650 14.213 -0.724 168 HA1 GLY 38 HA1 GLY 38 -18.094 12.768 -2.180 169 H SER 39 H SER 39 -16.426 11.664 -1.640 170 HA SER 39 HA SER 39 -14.290 13.537 -2.214 171 HB2 SER 39 HB1 SER 39 -14.610 12.997 0.403 172 HB3 SER 39 HB2 SER 39 -13.609 11.608 -0.058 173 HG SER 39 HG SER 39 -11.952 12.882 -0.227 174 H GLN 40 H GLN 40 -12.147 12.204 -2.447 175 HA GLN 40 HA GLN 40 -12.779 10.020 -4.259 176 HB2 GLN 40 HB1 GLN 40 -10.687 11.993 -4.014 177 HB3 GLN 40 HB2 GLN 40 -9.991 10.370 -4.134 178 HG2 GLN 40 HG1 GLN 40 -12.026 11.477 -6.065 179 HG3 GLN 40 HG2 GLN 40 -10.275 11.538 -6.310 180 HE21 GLN 40 HE21 GLN 40 -13.083 9.691 -6.648 181 HE22 GLN 40 HE22 GLN 40 -12.349 8.221 -7.182 182 H CYS 41 H CYS 41 -10.603 10.566 -1.490 183 HA CYS 41 HA CYS 41 -11.127 7.966 -0.427 184 HB2 CYS 41 HB1 CYS 41 -8.950 6.983 -0.667 185 HB3 CYS 41 HB2 CYS 41 -9.528 7.435 -2.272 186 H LEU 42 H LEU 42 -10.315 7.698 1.674 187 HA LEU 42 HA LEU 42 -9.474 10.200 2.931 188 HB2 LEU 42 HB1 LEU 42 -10.920 7.766 3.797 189 HB3 LEU 42 HB2 LEU 42 -9.867 8.528 5.002 190 HG LEU 42 HG LEU 42 -11.139 10.692 4.474 191 HD11 LEU 42 HD11 LEU 42 -13.038 10.665 3.248 192 HD12 LEU 42 HD12 LEU 42 -13.435 9.005 3.693 193 HD13 LEU 42 HD13 LEU 42 -12.224 9.320 2.450 194 HD21 LEU 42 HD21 LEU 42 -11.971 8.352 6.060 195 HD22 LEU 42 HD22 LEU 42 -13.206 9.585 5.805 196 HD23 LEU 42 HD23 LEU 42 -11.671 10.017 6.559 197 H SER 43 H SER 43 -8.383 6.945 2.316 198 HA SER 43 HA SER 43 -5.698 7.685 3.110 199 HB2 SER 43 HB1 SER 43 -5.461 5.590 4.522 200 HB3 SER 43 HB2 SER 43 -6.441 6.884 5.233 201 HG SER 43 HG SER 43 -7.363 4.710 5.334 202 H ASP 44 H ASP 44 -4.226 5.635 2.796 203 HA ASP 44 HA ASP 44 -4.454 4.893 0.076 204 HB2 ASP 44 HB1 ASP 44 -2.440 3.645 0.390 205 HB3 ASP 44 HB2 ASP 44 -2.309 5.106 1.379 206 HD2 ASP 44 HD ASP 44 -2.867 3.105 4.317 207 H THR 45 H THR 45 -5.526 3.431 3.030 208 HA THR 45 HA THR 45 -5.780 0.764 2.222 209 HB THR 45 HB THR 45 -7.497 0.553 3.984 210 HG1 THR 45 HG1 THR 45 -8.623 2.284 4.416 211 HG21 THR 45 HG21 THR 45 -5.107 2.227 4.765 212 HG22 THR 45 HG22 THR 45 -5.150 0.469 4.624 213 HG23 THR 45 HG23 THR 45 -6.093 1.278 5.876 214 H ASP 46 H ASP 46 -7.664 3.569 1.451 215 HA ASP 46 HA ASP 46 -10.022 2.207 0.614 216 HB2 ASP 46 HB1 ASP 46 -8.967 4.967 0.515 217 HB3 ASP 46 HB2 ASP 46 -10.092 4.541 -0.783 218 HD2 ASP 46 HD ASP 46 -11.511 4.636 2.923 219 H CYS 47 H CYS 47 -6.987 2.998 -0.895 220 HA CYS 47 HA CYS 47 -7.769 2.701 -3.591 221 HB2 CYS 47 HB1 CYS 47 -5.446 3.393 -2.251 222 HB3 CYS 47 HB2 CYS 47 -5.030 1.857 -3.014 223 H ASN 48 H ASN 48 -6.293 0.869 -4.828 224 HA ASN 48 HA ASN 48 -7.726 -1.502 -4.559 225 HB2 ASN 48 HB1 ASN 48 -5.326 -0.615 -6.047 226 HB3 ASN 48 HB2 ASN 48 -5.453 -2.358 -5.784 227 HD21 ASN 48 HD21 ASN 48 -7.092 -3.518 -6.752 228 HD22 ASN 48 HD22 ASN 48 -8.075 -2.864 -8.013 229 H THR 49 H THR 49 -4.215 -1.321 -4.013 230 HA THR 49 HA THR 49 -4.406 -2.524 -1.411 231 HB THR 49 HB THR 49 -3.035 -4.182 -3.524 232 HG1 THR 49 HG1 THR 49 -4.975 -5.576 -3.120 233 HG21 THR 49 HG21 THR 49 -3.692 -4.518 -0.619 234 HG22 THR 49 HG22 THR 49 -2.159 -4.773 -1.451 235 HG23 THR 49 HG23 THR 49 -3.475 -5.928 -1.655 236 H ARG 50 H ARG 50 -2.000 -2.600 -4.045 237 HA ARG 50 HA ARG 50 -0.017 -1.503 -2.204 238 HB2 ARG 50 HB1 ARG 50 0.159 -2.819 -4.913 239 HB3 ARG 50 HB2 ARG 50 1.543 -1.997 -4.179 240 HG2 ARG 50 HG1 ARG 50 1.907 -3.631 -2.668 241 HG3 ARG 50 HG2 ARG 50 0.181 -3.971 -2.470 242 HD2 ARG 50 HD1 ARG 50 0.101 -5.395 -4.302 243 HD3 ARG 50 HD2 ARG 50 1.538 -4.672 -5.037 244 HE ARG 50 HE ARG 50 2.803 -6.198 -3.918 245 HH11 ARG 50 HH11 ARG 50 -0.250 -5.878 -2.276 246 HH12 ARG 50 HH12 ARG 50 0.084 -7.139 -1.134 247 HH21 ARG 50 HH21 ARG 50 3.254 -7.859 -2.421 248 HH22 ARG 50 HH22 ARG 50 2.078 -8.264 -1.217 249 H LYS 51 H LYS 51 -1.711 0.450 -2.624 250 HA LYS 51 HA LYS 51 -0.238 2.283 -4.358 251 HB2 LYS 51 HB1 LYS 51 -3.196 1.713 -4.522 252 HB3 LYS 51 HB2 LYS 51 -2.500 3.236 -5.098 253 HG2 LYS 51 HG1 LYS 51 -1.214 2.139 -6.763 254 HG3 LYS 51 HG2 LYS 51 -1.578 0.547 -6.074 255 HD2 LYS 51 HD1 LYS 51 -3.728 0.511 -6.905 256 HD3 LYS 51 HD2 LYS 51 -3.839 2.279 -6.959 257 HE2 LYS 51 HE1 LYS 51 -3.202 2.312 -9.096 258 HE3 LYS 51 HE2 LYS 51 -1.737 1.401 -8.697 259 HZ1 LYS 51 HZ1 LYS 51 -2.638 -0.203 -9.930 260 HZ2 LYS 51 HZ2 LYS 51 -4.181 0.491 -9.901 261 HZ3 LYS 51 HZ3 LYS 51 -3.672 -0.493 -8.623 262 H PHE 52 H PHE 52 -0.254 4.414 -3.679 263 HA PHE 52 HA PHE 52 -1.395 4.848 -1.005 264 HB2 PHE 52 HB1 PHE 52 0.297 6.627 -0.754 265 HB3 PHE 52 HB2 PHE 52 1.028 5.054 -1.075 266 HD1 PHE 52 HD1 PHE 52 2.150 4.580 -3.161 267 HD2 PHE 52 HD2 PHE 52 0.390 8.386 -2.429 268 HE1 PHE 52 HE1 PHE 52 3.389 5.517 -5.069 269 HE2 PHE 52 HE2 PHE 52 1.626 9.328 -4.336 270 HZ PHE 52 HZ PHE 52 3.127 7.894 -5.660 271 H CYS 53 H CYS 53 -2.545 6.717 -0.535 272 HA CYS 53 HA CYS 53 -3.810 7.965 -2.840 273 HB2 CYS 53 HB1 CYS 53 -4.495 7.503 -0.022 274 HB3 CYS 53 HB2 CYS 53 -4.970 9.096 -0.617 275 H LEU 54 H LEU 54 -2.315 9.407 -3.641 276 HA LEU 54 HA LEU 54 -0.879 11.235 -1.987 277 HB2 LEU 54 HB1 LEU 54 0.022 10.528 -4.119 278 HB3 LEU 54 HB2 LEU 54 -1.385 11.205 -4.959 279 HG LEU 54 HG LEU 54 -0.252 13.335 -3.523 280 HD11 LEU 54 HD11 LEU 54 1.734 11.532 -3.652 281 HD12 LEU 54 HD12 LEU 54 1.992 13.275 -3.721 282 HD13 LEU 54 HD13 LEU 54 1.946 12.331 -5.210 283 HD21 LEU 54 HD21 LEU 54 0.095 12.705 -6.447 284 HD22 LEU 54 HD22 LEU 54 0.053 14.293 -5.681 285 HD23 LEU 54 HD23 LEU 54 -1.409 13.306 -5.748 286 H GLN 55 H GLN 55 -1.365 13.268 -1.379 287 HA GLN 55 HA GLN 55 -3.807 14.492 -2.472 288 HB2 GLN 55 HB1 GLN 55 -4.154 15.436 -0.122 289 HB3 GLN 55 HB2 GLN 55 -4.523 13.722 -0.367 290 HG2 GLN 55 HG1 GLN 55 -2.808 13.003 0.934 291 HG3 GLN 55 HG2 GLN 55 -1.786 14.390 0.533 292 HE21 GLN 55 HE21 GLN 55 -1.432 15.721 2.146 293 HE22 GLN 55 HE22 GLN 55 -2.489 16.021 3.478 294 HA PRO 56 HA PRO 56 -0.373 17.483 -2.965 295 HB2 PRO 56 HB1 PRO 56 -1.376 18.578 -5.268 296 HB3 PRO 56 HB2 PRO 56 -0.402 17.109 -5.231 297 HG2 PRO 56 HG1 PRO 56 -3.385 17.411 -5.337 298 HG3 PRO 56 HG2 PRO 56 -2.315 16.319 -6.292 299 HD2 PRO 56 HD1 PRO 56 -3.755 15.460 -4.157 300 HD3 PRO 56 HD2 PRO 56 -2.162 14.799 -4.566 301 H ARG 57 H ARG 57 -0.349 19.761 -2.763 302 HA ARG 57 HA ARG 57 -2.654 20.825 -1.385 303 HB2 ARG 57 HB1 ARG 57 0.132 21.825 -1.925 304 HB3 ARG 57 HB2 ARG 57 -1.107 22.891 -1.249 305 HG2 ARG 57 HG1 ARG 57 -1.308 21.607 0.720 306 HG3 ARG 57 HG2 ARG 57 -0.400 20.261 0.013 307 HD2 ARG 57 HD1 ARG 57 1.607 21.742 -0.111 308 HD3 ARG 57 HD2 ARG 57 0.679 22.979 0.747 309 HE ARG 57 HE ARG 57 1.873 20.623 1.875 310 HH11 ARG 57 HH11 ARG 57 -0.621 23.023 2.245 311 HH12 ARG 57 HH12 ARG 57 -0.741 22.823 3.962 312 HH21 ARG 57 HH21 ARG 57 1.725 20.349 4.135 313 HH22 ARG 57 HH22 ARG 57 0.594 21.302 5.035 314 H ASP 58 H ASP 58 -1.106 21.167 -4.491 315 HA ASP 58 HA ASP 58 -2.696 23.485 -5.214 316 HB2 ASP 58 HB1 ASP 58 -0.240 22.435 -6.060 317 HB3 ASP 58 HB2 ASP 58 -1.334 22.207 -7.430 318 HD2 ASP 58 HD ASP 58 -1.784 25.710 -7.731 319 H GLU 59 H GLU 59 -2.840 20.052 -5.495 320 HA GLU 59 HA GLU 59 -5.183 20.308 -7.265 321 HB2 GLU 59 HB1 GLU 59 -2.822 18.801 -7.655 322 HB3 GLU 59 HB2 GLU 59 -4.110 17.644 -7.287 323 HG2 GLU 59 HG1 GLU 59 -5.442 19.084 -9.058 324 HG3 GLU 59 HG2 GLU 59 -3.804 19.465 -9.610 325 HE2 GLU 59 HE GLU 59 -3.311 16.269 -10.849 326 H LYS 60 H LYS 60 -6.456 18.048 -7.070 327 HA LYS 60 HA LYS 60 -7.236 17.914 -4.262 328 HB2 LYS 60 HB1 LYS 60 -8.534 17.333 -6.869 329 HB3 LYS 60 HB2 LYS 60 -9.033 16.333 -5.494 330 HG2 LYS 60 HG1 LYS 60 -9.179 18.768 -4.354 331 HG3 LYS 60 HG2 LYS 60 -9.530 19.185 -6.041 332 HD2 LYS 60 HD1 LYS 60 -11.040 16.892 -5.589 333 HD3 LYS 60 HD2 LYS 60 -11.185 17.819 -4.086 334 HE2 LYS 60 HE1 LYS 60 -11.480 19.313 -6.645 335 HE3 LYS 60 HE2 LYS 60 -12.790 18.220 -6.174 336 HZ1 LYS 60 HZ1 LYS 60 -11.712 20.182 -4.252 337 HZ2 LYS 60 HZ2 LYS 60 -13.226 19.429 -4.263 338 HZ3 LYS 60 HZ3 LYS 60 -12.877 20.642 -5.390 339 HA PRO 61 HA PRO 61 -5.579 13.938 -3.426 340 HB2 PRO 61 HB1 PRO 61 -7.555 12.773 -1.932 341 HB3 PRO 61 HB2 PRO 61 -6.534 14.081 -1.340 342 HG2 PRO 61 HG1 PRO 61 -9.293 14.204 -2.510 343 HG3 PRO 61 HG2 PRO 61 -8.636 15.028 -1.045 344 HD2 PRO 61 HD1 PRO 61 -8.950 16.298 -3.424 345 HD3 PRO 61 HD2 PRO 61 -7.631 16.677 -2.304 346 H PHE 62 H PHE 62 -5.493 11.880 -4.228 347 HA PHE 62 HA PHE 62 -7.759 10.542 -5.339 348 HB2 PHE 62 HB1 PHE 62 -7.143 10.532 -7.655 349 HB3 PHE 62 HB2 PHE 62 -7.223 12.213 -7.127 350 HD1 PHE 62 HD1 PHE 62 -5.136 9.651 -8.529 351 HD2 PHE 62 HD2 PHE 62 -5.103 13.448 -6.606 352 HE1 PHE 62 HE1 PHE 62 -2.841 10.033 -9.330 353 HE2 PHE 62 HE2 PHE 62 -2.809 13.837 -7.405 354 HZ PHE 62 HZ PHE 62 -1.675 12.129 -8.770 355 H CYS 63 H CYS 63 -7.006 8.507 -6.560 356 HA CYS 63 HA CYS 63 -5.025 7.217 -4.892 357 HB2 CYS 63 HB1 CYS 63 -7.252 6.399 -6.583 358 HB3 CYS 63 HB2 CYS 63 -5.824 5.394 -6.842 359 H ALA 64 H ALA 64 -2.952 7.019 -5.393 360 HA ALA 64 HA ALA 64 -2.120 7.492 -8.170 361 HB1 ALA 64 HB1 ALA 64 -0.168 7.437 -5.923 362 HB2 ALA 64 HB2 ALA 64 -0.163 8.400 -7.402 363 HB3 ALA 64 HB3 ALA 64 -1.249 8.822 -6.078 364 H THR 65 H THR 65 -0.023 6.301 -8.755 365 HA THR 65 HA THR 65 -0.433 3.462 -8.140 366 HB THR 65 HB THR 65 1.182 3.183 -10.141 367 HG1 THR 65 HG1 THR 65 0.241 5.766 -10.820 368 HG21 THR 65 HG21 THR 65 -1.671 3.807 -10.042 369 HG22 THR 65 HG22 THR 65 -0.826 2.505 -10.881 370 HG23 THR 65 HG23 THR 65 -0.946 4.100 -11.622 371 H CYS 66 H CYS 66 1.578 2.097 -8.114 372 HA CYS 66 HA CYS 66 3.253 2.856 -6.018 373 HB2 CYS 66 HB1 CYS 66 2.788 0.514 -6.805 374 HB3 CYS 66 HB2 CYS 66 3.901 0.806 -8.141 375 H ARG 67 H ARG 67 5.401 3.525 -5.922 376 HA ARG 67 HA ARG 67 6.348 4.897 -8.342 377 HB2 ARG 67 HB1 ARG 67 6.854 5.380 -5.405 378 HB3 ARG 67 HB2 ARG 67 7.803 6.160 -6.678 379 HG2 ARG 67 HG1 ARG 67 5.648 7.066 -7.609 380 HG3 ARG 67 HG2 ARG 67 4.863 6.468 -6.137 381 HD2 ARG 67 HD1 ARG 67 6.348 7.850 -4.760 382 HD3 ARG 67 HD2 ARG 67 7.152 8.431 -6.224 383 HE ARG 67 HE ARG 67 4.630 9.312 -5.175 384 HH11 ARG 67 HH11 ARG 67 6.569 8.997 -8.049 385 HH12 ARG 67 HH12 ARG 67 5.764 10.280 -8.889 386 HH21 ARG 67 HH21 ARG 67 3.563 11.003 -6.271 387 HH22 ARG 67 HH22 ARG 67 4.056 11.422 -7.877 388 H GLY 68 H GLY 68 8.237 4.360 -9.273 389 HA2 GLY 68 HA2 GLY 68 9.653 2.049 -8.204 390 HA3 GLY 68 HA3 GLY 68 9.868 2.758 -9.797 391 HA1 GLY 68 HA1 GLY 68 9.585 2.764 -7.690 392 H LEU 69 H LEU 69 12.139 2.140 -8.740 393 HA LEU 69 HA LEU 69 13.320 3.841 -6.869 394 HB2 LEU 69 HB1 LEU 69 14.594 2.427 -9.219 395 HB3 LEU 69 HB2 LEU 69 15.465 3.133 -7.847 396 HG LEU 69 HG LEU 69 13.610 0.756 -7.789 397 HD11 LEU 69 HD11 LEU 69 15.431 -0.524 -7.879 398 HD12 LEU 69 HD12 LEU 69 16.298 0.482 -6.720 399 HD13 LEU 69 HD13 LEU 69 16.286 0.917 -8.429 400 HD21 LEU 69 HD21 LEU 69 13.207 1.285 -5.665 401 HD22 LEU 69 HD22 LEU 69 14.383 2.599 -5.694 402 HD23 LEU 69 HD23 LEU 69 14.909 0.951 -5.347 403 H ARG 70 H ARG 70 12.583 4.320 -10.221 404 HA ARG 70 HA ARG 70 14.313 6.623 -10.499 405 HB2 ARG 70 HB1 ARG 70 12.216 5.417 -12.315 406 HB3 ARG 70 HB2 ARG 70 13.191 6.833 -12.734 407 HG2 ARG 70 HG1 ARG 70 14.673 5.434 -13.613 408 HG3 ARG 70 HG2 ARG 70 15.058 4.944 -11.954 409 HD2 ARG 70 HD1 ARG 70 13.835 3.005 -12.079 410 HD3 ARG 70 HD2 ARG 70 12.711 3.680 -13.266 411 HE ARG 70 HE ARG 70 15.091 2.221 -13.816 412 HH11 ARG 70 HH11 ARG 70 13.067 4.795 -15.000 413 HH12 ARG 70 HH12 ARG 70 13.534 4.577 -16.655 414 HH21 ARG 70 HH21 ARG 70 15.713 1.924 -15.990 415 HH22 ARG 70 HH22 ARG 70 15.039 2.942 -17.215 416 H ARG 71 H ARG 71 11.005 5.946 -9.687 417 HA ARG 71 HA ARG 71 9.886 8.475 -10.225 418 HB2 ARG 71 HB1 ARG 71 9.149 6.147 -8.497 419 HB3 ARG 71 HB2 ARG 71 8.286 7.679 -8.281 420 HG2 ARG 71 HG1 ARG 71 8.529 6.237 -10.922 421 HG3 ARG 71 HG2 ARG 71 7.158 6.081 -9.812 422 HD2 ARG 71 HD1 ARG 71 7.392 8.803 -10.030 423 HD3 ARG 71 HD2 ARG 71 7.855 8.254 -11.648 424 HE ARG 71 HE ARG 71 5.239 8.241 -10.530 425 HH11 ARG 71 HH11 ARG 71 7.353 6.505 -12.685 426 HH12 ARG 71 HH12 ARG 71 6.059 5.837 -13.624 427 HH21 ARG 71 HH21 ARG 71 3.529 7.367 -11.759 428 HH22 ARG 71 HH22 ARG 71 3.885 6.328 -13.097 429 H ARG 72 H ARG 72 9.556 10.272 -8.938 430 HA ARG 72 HA ARG 72 11.520 10.648 -6.835 431 HB2 ARG 72 HB1 ARG 72 9.497 12.659 -7.832 432 HB3 ARG 72 HB2 ARG 72 11.020 12.975 -6.988 433 HG2 ARG 72 HG1 ARG 72 11.959 11.664 -9.150 434 HG3 ARG 72 HG2 ARG 72 10.514 12.428 -9.834 435 HD2 ARG 72 HD1 ARG 72 12.804 13.802 -8.414 436 HD3 ARG 72 HD2 ARG 72 12.389 13.904 -10.131 437 HE ARG 72 HE ARG 72 11.154 15.338 -7.963 438 HH11 ARG 72 HH11 ARG 72 10.769 14.161 -11.216 439 HH12 ARG 72 HH12 ARG 72 9.565 15.333 -11.637 440 HH21 ARG 72 HH21 ARG 72 9.569 16.886 -8.505 441 HH22 ARG 72 HH22 ARG 72 8.883 16.883 -10.093 442 H CYS 73 H CYS 73 10.969 11.543 -4.755 443 HA CYS 73 HA CYS 73 8.208 11.275 -3.877 444 HB2 CYS 73 HB1 CYS 73 8.879 9.842 -1.943 445 HB3 CYS 73 HB2 CYS 73 8.987 9.034 -3.508 446 H GLN 74 H GLN 74 7.940 12.015 -1.596 447 HA GLN 74 HA GLN 74 9.932 14.091 -0.954 448 HB2 GLN 74 HB1 GLN 74 6.945 14.116 -0.961 449 HB3 GLN 74 HB2 GLN 74 7.793 15.099 0.244 450 HG2 GLN 74 HG1 GLN 74 7.506 16.605 -1.468 451 HG3 GLN 74 HG2 GLN 74 9.132 15.986 -1.788 452 HE21 GLN 74 HE21 GLN 74 9.475 15.687 -3.857 453 HE22 GLN 74 HE22 GLN 74 8.329 15.107 -5.013 454 H ARG 75 H ARG 75 7.934 11.505 0.237 455 HA ARG 75 HA ARG 75 9.312 11.700 2.827 456 HB2 ARG 75 HB1 ARG 75 6.391 11.010 2.429 457 HB3 ARG 75 HB2 ARG 75 7.257 11.003 3.973 458 HG2 ARG 75 HG1 ARG 75 7.161 13.242 4.210 459 HG3 ARG 75 HG2 ARG 75 7.371 13.531 2.475 460 HD2 ARG 75 HD1 ARG 75 4.922 12.402 2.445 461 HD3 ARG 75 HD2 ARG 75 4.900 13.149 4.049 462 HE ARG 75 HE ARG 75 5.824 15.079 2.284 463 HH11 ARG 75 HH11 ARG 75 2.930 13.208 2.787 464 HH12 ARG 75 HH12 ARG 75 1.878 14.420 2.134 465 HH21 ARG 75 HH21 ARG 75 4.449 16.680 1.421 466 HH22 ARG 75 HH22 ARG 75 2.742 16.394 1.356 467 H ASP 76 H ASP 76 8.772 9.534 4.099 468 HA ASP 76 HA ASP 76 9.848 7.424 2.460 469 HB2 ASP 76 HB1 ASP 76 10.756 7.526 4.637 470 HB3 ASP 76 HB2 ASP 76 9.158 7.658 5.382 471 HD2 ASP 76 HD ASP 76 10.432 4.051 4.338 472 H ALA 77 H ALA 77 6.768 8.209 3.944 473 HA ALA 77 HA ALA 77 5.573 5.661 3.366 474 HB1 ALA 77 HB1 ALA 77 4.254 8.265 4.126 475 HB2 ALA 77 HB2 ALA 77 3.508 6.666 4.152 476 HB3 ALA 77 HB3 ALA 77 4.830 7.041 5.258 477 H MET 78 H MET 78 5.964 8.680 1.707 478 HA MET 78 HA MET 78 3.847 8.584 -0.101 479 HB2 MET 78 HB1 MET 78 6.580 9.797 -0.127 480 HB3 MET 78 HB2 MET 78 5.644 9.776 -1.630 481 HG2 MET 78 HG1 MET 78 4.320 10.787 0.842 482 HG3 MET 78 HG2 MET 78 5.526 11.802 0.045 483 HE1 MET 78 HE1 MET 78 4.776 11.185 -3.338 484 HE2 MET 78 HE2 MET 78 4.165 12.834 -3.210 485 HE3 MET 78 HE3 MET 78 5.591 12.348 -2.292 486 H CYS 79 H CYS 79 6.937 6.919 -0.107 487 HA CYS 79 HA CYS 79 6.497 5.824 -2.759 488 HB2 CYS 79 HB1 CYS 79 8.729 6.029 -0.875 489 HB3 CYS 79 HB2 CYS 79 8.635 4.453 -1.664 490 H CYS 80 H CYS 80 6.585 3.481 -3.129 491 HA CYS 80 HA CYS 80 4.600 2.107 -1.742 492 HB2 CYS 80 HB1 CYS 80 6.592 1.470 -3.814 493 HB3 CYS 80 HB2 CYS 80 6.079 0.084 -2.852 494 HA PRO 81 HA PRO 81 6.464 0.328 1.807 495 HB2 PRO 81 HB1 PRO 81 5.354 -2.175 1.870 496 HB3 PRO 81 HB2 PRO 81 4.454 -0.702 2.232 497 HG2 PRO 81 HG1 PRO 81 4.607 -2.257 -0.329 498 HG3 PRO 81 HG2 PRO 81 3.163 -1.569 0.502 499 HD2 PRO 81 HD1 PRO 81 4.327 -0.376 -1.640 500 HD3 PRO 81 HD2 PRO 81 3.571 0.543 -0.327 501 H GLY 82 H GLY 82 8.519 -0.279 2.029 502 HA2 GLY 82 HA2 GLY 82 10.087 -2.141 2.048 503 HA3 GLY 82 HA3 GLY 82 9.463 -2.602 0.470 504 HA1 GLY 82 HA1 GLY 82 10.038 -1.261 2.017 505 H THR 83 H THR 83 9.953 0.752 1.051 506 HA THR 83 HA THR 83 12.629 0.739 -0.101 507 HB THR 83 HB THR 83 11.679 2.645 -1.693 508 HG1 THR 83 HG1 THR 83 9.602 2.320 -2.288 509 HG21 THR 83 HG21 THR 83 11.105 -0.081 -2.706 510 HG22 THR 83 HG22 THR 83 12.734 0.224 -2.102 511 HG23 THR 83 HG23 THR 83 12.081 1.207 -3.412 512 H LEU 84 H LEU 84 13.520 3.002 -0.233 513 HA LEU 84 HA LEU 84 12.404 4.676 1.919 514 HB2 LEU 84 HB1 LEU 84 15.142 3.655 1.457 515 HB3 LEU 84 HB2 LEU 84 15.012 5.350 1.959 516 HG LEU 84 HG LEU 84 13.504 3.374 3.569 517 HD11 LEU 84 HD11 LEU 84 16.475 3.395 3.314 518 HD12 LEU 84 HD12 LEU 84 15.372 2.036 3.523 519 HD13 LEU 84 HD13 LEU 84 15.736 3.092 4.887 520 HD21 LEU 84 HD21 LEU 84 14.930 5.961 3.937 521 HD22 LEU 84 HD22 LEU 84 14.738 4.894 5.329 522 HD23 LEU 84 HD23 LEU 84 13.317 5.474 4.459 523 H CYS 85 H CYS 85 12.849 6.961 1.756 524 HA CYS 85 HA CYS 85 13.002 7.831 -1.042 525 HB2 CYS 85 HB1 CYS 85 10.996 8.410 0.392 526 HB3 CYS 85 HB2 CYS 85 12.070 9.451 1.330 527 H VAL 86 H VAL 86 15.083 8.200 -1.551 528 HA VAL 86 HA VAL 86 16.635 9.947 0.248 529 HB VAL 86 HB VAL 86 17.709 7.882 -1.679 530 HG11 VAL 86 HG11 VAL 86 19.290 9.626 -1.564 531 HG12 VAL 86 HG12 VAL 86 19.051 9.835 0.172 532 HG13 VAL 86 HG13 VAL 86 19.864 8.394 -0.440 533 HG21 VAL 86 HG21 VAL 86 18.389 6.648 0.306 534 HG22 VAL 86 HG22 VAL 86 17.653 7.873 1.338 535 HG23 VAL 86 HG23 VAL 86 16.641 6.881 0.288 536 H ASN 87 H ASN 87 17.445 11.795 -0.561 537 HA ASN 87 HA ASN 87 17.717 13.558 -1.976 538 HB2 ASN 87 HB1 ASN 87 19.265 11.606 -2.914 539 HB3 ASN 87 HB2 ASN 87 18.162 11.726 -4.289 540 HD21 ASN 87 HD21 ASN 87 21.029 12.417 -3.972 541 HD22 ASN 87 HD22 ASN 87 21.157 14.058 -4.501 542 H ASP 88 H ASP 88 15.053 12.601 -1.658 543 HA ASP 88 HA ASP 88 12.969 12.960 -2.497 544 HB2 ASP 88 HB1 ASP 88 14.273 14.468 -4.768 545 HB3 ASP 88 HB2 ASP 88 12.653 14.695 -4.093 546 HD2 ASP 88 HD ASP 88 13.801 16.824 -1.660 547 H VAL 89 H VAL 89 14.643 10.688 -3.390 548 HA VAL 89 HA VAL 89 13.000 9.930 -5.692 549 HB VAL 89 HB VAL 89 15.993 9.525 -5.598 550 HG11 VAL 89 HG11 VAL 89 15.024 7.635 -6.650 551 HG12 VAL 89 HG12 VAL 89 13.891 8.636 -7.561 552 HG13 VAL 89 HG13 VAL 89 15.613 8.681 -7.941 553 HG21 VAL 89 HG21 VAL 89 14.254 11.539 -6.890 554 HG22 VAL 89 HG22 VAL 89 15.918 11.674 -6.321 555 HG23 VAL 89 HG23 VAL 89 15.573 10.889 -7.863 556 H CYS 90 H CYS 90 12.403 7.806 -5.733 557 HA CYS 90 HA CYS 90 12.536 6.338 -3.324 558 HB2 CYS 90 HB1 CYS 90 10.998 6.258 -5.619 559 HB3 CYS 90 HB2 CYS 90 11.917 4.754 -5.708 560 H THR 91 H THR 91 13.825 4.705 -2.659 561 HA THR 91 HA THR 91 15.746 3.537 -4.527 562 HB THR 91 HB THR 91 16.962 5.409 -3.536 563 HG1 THR 91 HG1 THR 91 18.362 3.783 -3.839 564 HG21 THR 91 HG21 THR 91 17.483 5.177 -1.021 565 HG22 THR 91 HG22 THR 91 16.028 4.181 -0.962 566 HG23 THR 91 HG23 THR 91 15.926 5.860 -1.490 567 H THR 92 H THR 92 16.523 1.503 -3.922 568 HA THR 92 HA THR 92 14.761 -0.052 -2.335 569 HB THR 92 HB THR 92 16.617 -1.829 -2.628 570 HG1 THR 92 HG1 THR 92 18.151 -1.317 -4.203 571 HG21 THR 92 HG21 THR 92 14.511 -1.036 -4.205 572 HG22 THR 92 HG22 THR 92 15.466 -2.501 -4.435 573 HG23 THR 92 HG23 THR 92 15.861 -1.039 -5.339 574 H MET 93 H MET 93 15.325 -1.336 -0.462 575 HA MET 93 HA MET 93 16.527 0.202 1.586 576 HB2 MET 93 HB1 MET 93 14.959 -2.164 1.386 577 HB3 MET 93 HB2 MET 93 16.393 -2.545 2.352 578 HG2 MET 93 HG1 MET 93 15.287 -0.013 3.171 579 HG3 MET 93 HG2 MET 93 14.053 -1.274 3.197 580 HE1 MET 93 HE1 MET 93 13.778 -1.461 6.040 581 HE2 MET 93 HE2 MET 93 15.184 -0.860 6.917 582 HE3 MET 93 HE3 MET 93 14.481 0.099 5.613 583 H GLU 94 H GLU 94 17.742 -2.192 -0.606 584 HA GLU 94 HA GLU 94 20.080 -2.860 0.894 585 HB2 GLU 94 HB1 GLU 94 19.264 -3.267 -1.982 586 HB3 GLU 94 HB2 GLU 94 20.854 -3.759 -1.375 587 HG2 GLU 94 HG1 GLU 94 18.501 -4.690 0.164 588 HG3 GLU 94 HG2 GLU 94 18.746 -5.393 -1.440 589 HE2 GLU 94 HE GLU 94 21.885 -6.735 -0.346 590 H ASP 95 H ASP 95 19.217 -0.363 -1.356 591 HA ASP 95 HA ASP 95 21.957 0.442 -1.837 592 HB2 ASP 95 HB1 ASP 95 19.261 1.332 -2.774 593 HB3 ASP 95 HB2 ASP 95 20.602 2.483 -2.865 594 HD2 ASP 95 HD ASP 95 22.101 0.778 -5.468 595 H ALA 96 H ALA 96 19.116 1.802 -0.183 596 HA ALA 96 HA ALA 96 20.516 4.048 0.862 597 HB1 ALA 96 HB1 ALA 96 17.821 2.993 0.951 598 HB2 ALA 96 HB2 ALA 96 18.322 3.654 2.507 599 HB3 ALA 96 HB3 ALA 96 18.385 4.660 1.059 600 H THR 97 H THR 97 22.357 3.308 1.922 601 HA THR 97 HA THR 97 21.864 2.263 4.601 602 HB THR 97 HB THR 97 24.158 0.900 3.962 603 HG1 THR 97 HG1 THR 97 24.154 0.493 1.893 604 HG21 THR 97 HG21 THR 97 22.848 -1.080 4.195 605 HG22 THR 97 HG22 THR 97 21.383 -0.245 3.680 606 HG23 THR 97 HG23 THR 97 22.120 0.145 5.233 607 H GLU 98 H GLU 98 22.588 4.005 5.691 608 HA GLU 98 HA GLU 98 25.280 5.006 5.032 609 HB2 GLU 98 HB1 GLU 98 23.389 6.632 4.786 610 HB3 GLU 98 HB2 GLU 98 23.105 6.477 6.526 611 HG2 GLU 98 HG1 GLU 98 25.364 7.315 6.978 612 HG3 GLU 98 HG2 GLU 98 25.629 7.491 5.237 613 HE2 GLU 98 HE GLU 98 24.234 10.605 5.314 614 H ASN 99 H ASN 99 26.675 5.574 6.783 615 HA ASN 99 HA ASN 99 27.755 5.147 8.738 616 HB2 ASN 99 HB1 ASN 99 24.902 5.085 9.759 617 HB3 ASN 99 HB2 ASN 99 26.330 5.075 10.803 618 HD21 ASN 99 HD21 ASN 99 27.784 6.900 10.679 619 HD22 ASN 99 HD22 ASN 99 27.153 8.460 10.283 620 H LEU 100 H LEU 100 28.157 3.051 7.472 621 HA LEU 100 HA LEU 100 26.829 0.686 8.403 622 HB2 LEU 100 HB1 LEU 100 29.373 1.068 6.817 623 HB3 LEU 100 HB2 LEU 100 28.609 -0.497 7.141 624 HG LEU 100 HG LEU 100 26.864 1.493 5.856 625 HD11 LEU 100 HD11 LEU 100 28.110 0.580 3.643 626 HD12 LEU 100 HD12 LEU 100 29.485 0.776 4.730 627 HD13 LEU 100 HD13 LEU 100 28.433 2.148 4.383 628 HD21 LEU 100 HD21 LEU 100 26.714 -1.147 6.340 629 HD22 LEU 100 HD22 LEU 100 27.376 -1.174 4.706 630 HD23 LEU 100 HD23 LEU 100 25.852 -0.346 5.026 631 H TYR 101 H TYR 101 28.166 -1.165 9.297 632 HA TYR 101 HA TYR 101 29.387 -0.282 11.741 633 HB2 TYR 101 HB1 TYR 101 28.014 -2.549 10.938 634 HB3 TYR 101 HB2 TYR 101 29.674 -3.124 11.114 635 HD1 TYR 101 HD1 TYR 101 27.258 -0.975 12.998 636 HD2 TYR 101 HD2 TYR 101 30.308 -3.937 13.174 637 HE1 TYR 101 HE1 TYR 101 26.971 -1.117 15.437 638 HE2 TYR 101 HE2 TYR 101 30.029 -4.088 15.613 639 HH TYR 101 HH TYR 101 27.509 -3.156 17.238 640 H PHE 102 H PHE 102 31.504 -0.442 12.369 641 HA PHE 102 HA PHE 102 33.455 -0.534 10.238 642 HB2 PHE 102 HB1 PHE 102 33.439 0.285 13.107 643 HB3 PHE 102 HB2 PHE 102 34.986 -0.182 12.398 644 HD1 PHE 102 HD1 PHE 102 32.050 1.852 11.301 645 HD2 PHE 102 HD2 PHE 102 36.278 1.569 11.700 646 HE1 PHE 102 HE1 PHE 102 32.290 4.088 10.304 647 HE2 PHE 102 HE2 PHE 102 36.525 3.805 10.705 648 HZ PHE 102 HZ PHE 102 34.530 5.068 10.006 649 H GLN 103 H GLN 103 33.411 -2.058 13.464 650 HA GLN 103 HA GLN 103 34.176 -4.068 14.204 651 HB2 GLN 103 HB1 GLN 103 32.642 -4.558 11.858 652 HB3 GLN 103 HB2 GLN 103 34.033 -5.654 11.834 653 HG2 GLN 103 HG1 GLN 103 32.827 -5.560 14.461 654 HG3 GLN 103 HG2 GLN 103 31.650 -6.001 13.216 655 HE21 GLN 103 HE21 GLN 103 31.507 -8.097 14.055 656 HE22 GLN 103 HE22 GLN 103 32.748 -9.269 13.788 657 H SER 104 H SER 104 35.672 -6.065 13.290 658 HA SER 104 HA SER 104 37.837 -5.195 11.625 659 HB2 SER 104 HB1 SER 104 38.427 -3.990 13.676 660 HB3 SER 104 HB2 SER 104 38.330 -5.502 14.598 661 HG SER 104 HG SER 104 40.016 -5.441 12.374 662 H LEU 105 H LEU 105 37.671 -7.368 14.442 663 HA LEU 105 HA LEU 105 37.295 -9.735 12.959 664 HB2 LEU 105 HB1 LEU 105 39.583 -10.706 13.318 665 HB3 LEU 105 HB2 LEU 105 39.469 -9.443 12.081 666 HG LEU 105 HG LEU 105 40.227 -7.902 14.100 667 HD11 LEU 105 HD11 LEU 105 41.970 -9.189 15.399 668 HD12 LEU 105 HD12 LEU 105 41.170 -10.658 14.844 669 HD13 LEU 105 HD13 LEU 105 40.291 -9.497 15.838 670 HD21 LEU 105 HD21 LEU 105 42.374 -7.912 13.185 671 HD22 LEU 105 HD22 LEU 105 41.345 -8.456 11.860 672 HD23 LEU 105 HD23 LEU 105 42.294 -9.626 12.777 673 H GLU 106 H GLU 106 38.162 -11.701 14.387 674 HA GLU 106 HA GLU 106 37.229 -11.123 17.110 675 HB2 GLU 106 HB1 GLU 106 37.099 -13.497 15.315 676 HB3 GLU 106 HB2 GLU 106 37.199 -13.789 17.058 677 HG2 GLU 106 HG1 GLU 106 35.088 -13.152 17.424 678 HG3 GLU 106 HG2 GLU 106 35.220 -11.775 16.320 679 HE2 GLU 106 HE GLU 106 34.165 -15.239 14.667 680 H HIS 107 H HIS 107 38.565 -11.256 18.793 681 HA HIS 107 HA HIS 107 41.331 -11.979 18.345 682 HB2 HIS 107 HB1 HIS 107 39.853 -10.350 20.222 683 HB3 HIS 107 HB2 HIS 107 40.941 -11.448 21.079 684 HD1 HIS 107 HD1 HIS 107 43.524 -11.268 20.464 685 HD2 HIS 107 HD2 HIS 107 41.110 -8.210 19.021 686 HE1 HIS 107 HE1 HIS 107 45.099 -9.419 19.813 687 HE2 HIS 107 HE2 HIS 107 43.624 -7.549 18.931 688 H HIS 108 H HIS 108 42.363 -13.759 19.078 689 HA HIS 108 HA HIS 108 41.246 -15.462 21.101 690 HB2 HIS 108 HB1 HIS 108 39.949 -16.095 19.054 691 HB3 HIS 108 HB2 HIS 108 41.472 -16.576 18.299 692 HD1 HIS 108 HD1 HIS 108 40.165 -17.361 21.787 693 HD2 HIS 108 HD2 HIS 108 41.433 -19.280 18.327 694 HE1 HIS 108 HE1 HIS 108 40.141 -19.815 22.332 695 HE2 HIS 108 HE2 HIS 108 40.915 -20.990 20.218 696 H HIS 109 H HIS 109 42.874 -16.355 22.189 697 HA HIS 109 HA HIS 109 45.516 -16.443 20.903 698 HB2 HIS 109 HB1 HIS 109 44.577 -15.675 23.551 699 HB3 HIS 109 HB2 HIS 109 45.885 -16.861 23.632 700 HD1 HIS 109 HD1 HIS 109 47.746 -15.336 24.387 701 HD2 HIS 109 HD2 HIS 109 45.822 -13.965 20.969 702 HE1 HIS 109 HE1 HIS 109 49.142 -13.416 23.554 703 HE2 HIS 109 HE2 HIS 109 47.966 -12.577 21.466 704 H HIS 110 H HIS 110 46.974 -18.215 21.746 705 HA HIS 110 HA HIS 110 45.941 -20.581 22.855 706 HB2 HIS 110 HB1 HIS 110 45.024 -20.302 20.308 707 HB3 HIS 110 HB2 HIS 110 46.524 -21.192 20.025 708 HD1 HIS 110 HD1 HIS 110 43.769 -22.496 19.510 709 HD2 HIS 110 HD2 HIS 110 45.943 -22.900 23.027 710 HE1 HIS 110 HE1 HIS 110 42.952 -24.627 20.564 711 HE2 HIS 110 HE2 HIS 110 44.281 -24.876 22.714 712 H HIS 111 H HIS 111 47.607 -21.730 23.608 713 HA HIS 111 HA HIS 111 50.040 -22.120 22.195 714 HB2 HIS 111 HB1 HIS 111 49.922 -19.672 23.465 715 HB3 HIS 111 HB2 HIS 111 50.745 -20.688 24.653 716 HD1 HIS 111 HD1 HIS 111 53.184 -20.438 24.447 717 HD2 HIS 111 HD2 HIS 111 51.313 -20.327 20.738 718 HE1 HIS 111 HE1 HIS 111 55.037 -20.188 22.765 719 HE2 HIS 111 HE2 HIS 111 53.894 -20.119 20.498 720 H HIS 112 H HIS 112 51.789 -22.926 23.943 721 HA HIS 112 HA HIS 112 50.368 -24.960 25.506 722 HB2 HIS 112 HB1 HIS 112 52.527 -25.122 23.747 723 HB3 HIS 112 HB2 HIS 112 53.255 -25.283 25.350 724 HD1 HIS 112 HD1 HIS 112 50.061 -26.742 23.861 725 HD2 HIS 112 HD2 HIS 112 53.499 -27.914 25.877 726 HE1 HIS 112 HE1 HIS 112 49.822 -29.221 24.211 727 HE2 HIS 112 HE2 HIS 112 51.924 -29.938 25.443 Start of MODEL 2 1 H1 MET 18 H MET 18 6.020 -8.644 -1.575 2 HA MET 18 HA MET 18 5.290 -9.749 1.046 3 HB2 MET 18 HB1 MET 18 6.790 -7.154 0.604 4 HB3 MET 18 HB2 MET 18 6.199 -7.754 2.161 5 HG2 MET 18 HG1 MET 18 7.706 -9.624 2.097 6 HG3 MET 18 HG2 MET 18 8.203 -9.207 0.455 7 HE1 MET 18 HE1 MET 18 8.035 -8.270 4.074 8 HE2 MET 18 HE2 MET 18 9.637 -9.006 4.035 9 HE3 MET 18 HE3 MET 18 9.465 -7.284 4.377 10 H LEU 19 H LEU 19 3.124 -9.703 0.300 11 HA LEU 19 HA LEU 19 1.888 -7.083 0.585 12 HB2 LEU 19 HB1 LEU 19 0.433 -7.501 -1.409 13 HB3 LEU 19 HB2 LEU 19 2.133 -7.150 -1.770 14 HG LEU 19 HG LEU 19 1.433 -10.011 -1.582 15 HD11 LEU 19 HD11 LEU 19 0.313 -8.202 -3.703 16 HD12 LEU 19 HD12 LEU 19 -0.532 -9.396 -2.719 17 HD13 LEU 19 HD13 LEU 19 0.592 -9.922 -3.972 18 HD21 LEU 19 HD21 LEU 19 3.356 -10.156 -2.678 19 HD22 LEU 19 HD22 LEU 19 3.501 -8.400 -2.602 20 HD23 LEU 19 HD23 LEU 19 2.725 -9.162 -3.991 21 H VAL 20 H VAL 20 1.932 -9.235 2.363 22 HA VAL 20 HA VAL 20 -0.328 -10.921 2.153 23 HB VAL 20 HB VAL 20 -0.008 -11.383 4.532 24 HG11 VAL 20 HG11 VAL 20 2.778 -11.216 3.507 25 HG12 VAL 20 HG12 VAL 20 1.930 -12.565 4.266 26 HG13 VAL 20 HG13 VAL 20 1.601 -12.151 2.583 27 HG21 VAL 20 HG21 VAL 20 0.463 -9.266 5.463 28 HG22 VAL 20 HG22 VAL 20 1.929 -10.220 5.684 29 HG23 VAL 20 HG23 VAL 20 1.845 -9.018 4.395 30 H LEU 21 H LEU 21 -2.361 -10.790 3.088 31 HA LEU 21 HA LEU 21 -3.472 -8.169 3.275 32 HB2 LEU 21 HB1 LEU 21 -4.502 -10.961 3.545 33 HB3 LEU 21 HB2 LEU 21 -5.490 -9.618 4.142 34 HG LEU 21 HG LEU 21 -5.004 -8.688 1.691 35 HD11 LEU 21 HD11 LEU 21 -3.926 -10.200 0.455 36 HD12 LEU 21 HD12 LEU 21 -5.458 -11.070 0.414 37 HD13 LEU 21 HD13 LEU 21 -4.233 -11.497 1.608 38 HD21 LEU 21 HD21 LEU 21 -7.093 -10.763 2.348 39 HD22 LEU 21 HD22 LEU 21 -7.170 -9.589 1.034 40 HD23 LEU 21 HD23 LEU 21 -7.201 -9.040 2.711 41 H ASP 22 H ASP 22 -4.236 -7.064 5.045 42 HA ASP 22 HA ASP 22 -3.676 -8.220 7.690 43 HB2 ASP 22 HB1 ASP 22 -1.836 -6.748 7.298 44 HB3 ASP 22 HB2 ASP 22 -2.906 -5.479 6.687 45 HD2 ASP 22 HD ASP 22 -3.610 -4.328 9.852 46 H PHE 23 H PHE 23 -5.636 -8.478 8.551 47 HA PHE 23 HA PHE 23 -7.496 -6.196 8.444 48 HB2 PHE 23 HB1 PHE 23 -9.369 -7.780 8.463 49 HB3 PHE 23 HB2 PHE 23 -8.337 -8.026 7.052 50 HD1 PHE 23 HD1 PHE 23 -6.757 -9.940 6.978 51 HD2 PHE 23 HD2 PHE 23 -9.665 -9.514 10.056 52 HE1 PHE 23 HE1 PHE 23 -6.494 -12.319 7.551 53 HE2 PHE 23 HE2 PHE 23 -9.406 -11.891 10.636 54 HZ PHE 23 HZ PHE 23 -7.819 -13.296 9.383 55 H ASN 24 H ASN 24 -5.470 -6.838 10.440 56 HA ASN 24 HA ASN 24 -6.875 -7.889 12.730 57 HB2 ASN 24 HB1 ASN 24 -4.112 -6.972 12.126 58 HB3 ASN 24 HB2 ASN 24 -4.641 -6.841 13.807 59 HD21 ASN 24 HD21 ASN 24 -3.583 -8.442 14.783 60 HD22 ASN 24 HD22 ASN 24 -3.676 -10.109 14.338 61 H ASN 25 H ASN 25 -8.022 -6.769 14.168 62 HA ASN 25 HA ASN 25 -7.899 -3.830 14.046 63 HB2 ASN 25 HB1 ASN 25 -10.080 -5.433 13.688 64 HB3 ASN 25 HB2 ASN 25 -10.196 -5.073 15.415 65 HD21 ASN 25 HD21 ASN 25 -10.087 -3.670 12.212 66 HD22 ASN 25 HD22 ASN 25 -10.803 -2.158 12.642 67 H ILE 26 H ILE 26 -8.363 -2.699 16.109 68 HA ILE 26 HA ILE 26 -7.020 -4.084 18.328 69 HB ILE 26 HB ILE 26 -6.565 -1.837 19.240 70 HG12 ILE 26 HG11 ILE 26 -7.590 -0.779 16.600 71 HG13 ILE 26 HG12 ILE 26 -8.560 -0.779 18.083 72 HG21 ILE 26 HG21 ILE 26 -4.844 -2.841 17.934 73 HG22 ILE 26 HG22 ILE 26 -5.639 -2.383 16.429 74 HG23 ILE 26 HG23 ILE 26 -4.937 -1.143 17.467 75 HD11 ILE 26 HD11 ILE 26 -6.804 0.593 19.172 76 HD12 ILE 26 HD12 ILE 26 -5.985 0.700 17.614 77 HD13 ILE 26 HD13 ILE 26 -7.597 1.386 17.811 78 H ARG 27 H ARG 27 -9.889 -4.293 17.633 79 HA ARG 27 HA ARG 27 -11.911 -4.343 18.671 80 HB2 ARG 27 HB1 ARG 27 -10.261 -5.291 20.462 81 HB3 ARG 27 HB2 ARG 27 -10.575 -3.758 21.289 82 HG2 ARG 27 HG1 ARG 27 -12.948 -5.274 20.367 83 HG3 ARG 27 HG2 ARG 27 -12.018 -5.962 21.709 84 HD2 ARG 27 HD1 ARG 27 -13.039 -4.560 23.106 85 HD3 ARG 27 HD2 ARG 27 -12.271 -3.214 22.253 86 HE ARG 27 HE ARG 27 -14.271 -2.752 21.231 87 HH11 ARG 27 HH11 ARG 27 -14.422 -5.908 22.693 88 HH12 ARG 27 HH12 ARG 27 -16.124 -6.094 22.426 89 HH21 ARG 27 HH21 ARG 27 -16.512 -2.985 20.875 90 HH22 ARG 27 HH22 ARG 27 -17.312 -4.430 21.392 91 H SER 28 H SER 28 -12.310 -2.282 17.551 92 HA SER 28 HA SER 28 -12.052 0.173 19.016 93 HB2 SER 28 HB1 SER 28 -13.226 1.198 17.129 94 HB3 SER 28 HB2 SER 28 -11.949 0.113 16.548 95 HG SER 28 HG SER 28 -13.916 -0.193 15.414 96 H SER 29 H SER 29 -13.795 1.511 19.724 97 HA SER 29 HA SER 29 -16.479 0.604 19.845 98 HB2 SER 29 HB1 SER 29 -16.664 0.116 22.224 99 HB3 SER 29 HB2 SER 29 -15.476 -0.970 21.482 100 HG SER 29 HG SER 29 -14.624 -0.148 23.390 101 H ALA 30 H ALA 30 -17.653 2.394 19.906 102 HA ALA 30 HA ALA 30 -16.640 4.701 21.432 103 HB1 ALA 30 HB1 ALA 30 -17.438 4.536 18.598 104 HB2 ALA 30 HB2 ALA 30 -18.023 5.941 19.489 105 HB3 ALA 30 HB3 ALA 30 -16.292 5.613 19.397 106 H ASP 31 H ASP 31 -19.582 3.699 19.672 107 HA ASP 31 HA ASP 31 -21.186 3.632 22.016 108 HB2 ASP 31 HB1 ASP 31 -20.737 6.199 21.101 109 HB3 ASP 31 HB2 ASP 31 -22.279 5.776 20.345 110 HD2 ASP 31 HD ASP 31 -22.181 6.055 24.302 111 H LEU 32 H LEU 32 -21.273 4.254 18.516 112 HA LEU 32 HA LEU 32 -22.724 1.873 17.985 113 HB2 LEU 32 HB1 LEU 32 -24.799 2.873 17.159 114 HB3 LEU 32 HB2 LEU 32 -24.573 3.144 18.896 115 HG LEU 32 HG LEU 32 -23.510 5.385 17.492 116 HD11 LEU 32 HD11 LEU 32 -25.330 4.303 15.853 117 HD12 LEU 32 HD12 LEU 32 -25.083 6.041 16.009 118 HD13 LEU 32 HD13 LEU 32 -26.395 5.255 16.885 119 HD21 LEU 32 HD21 LEU 32 -25.695 4.829 19.449 120 HD22 LEU 32 HD22 LEU 32 -25.564 6.429 18.718 121 HD23 LEU 32 HD23 LEU 32 -24.217 5.771 19.649 122 H HIS 33 H HIS 33 -20.355 3.215 17.071 123 HA HIS 33 HA HIS 33 -19.217 3.618 15.143 124 HB2 HIS 33 HB1 HIS 33 -21.159 1.671 14.533 125 HB3 HIS 33 HB2 HIS 33 -21.195 2.826 13.196 126 HD1 HIS 33 HD1 HIS 33 -19.798 1.972 11.356 127 HD2 HIS 33 HD2 HIS 33 -18.084 1.209 15.063 128 HE1 HIS 33 HE1 HIS 33 -17.598 0.858 10.863 129 HE2 HIS 33 HE2 HIS 33 -16.549 0.392 13.128 130 H GLY 34 H GLY 34 -19.586 4.654 12.799 131 HA2 GLY 34 HA2 GLY 34 -20.622 6.350 11.524 132 HA3 GLY 34 HA3 GLY 34 -21.600 6.771 12.922 133 HA1 GLY 34 HA1 GLY 34 -19.835 6.185 11.891 134 H ALA 35 H ALA 35 -18.513 7.172 11.347 135 HA ALA 35 HA ALA 35 -18.139 9.692 12.724 136 HB1 ALA 35 HB1 ALA 35 -16.288 7.365 13.104 137 HB2 ALA 35 HB2 ALA 35 -15.720 9.028 13.261 138 HB3 ALA 35 HB3 ALA 35 -16.998 8.428 14.319 139 H ARG 36 H ARG 36 -17.355 11.159 11.353 140 HA ARG 36 HA ARG 36 -15.449 10.470 9.307 141 HB2 ARG 36 HB1 ARG 36 -18.191 10.334 8.673 142 HB3 ARG 36 HB2 ARG 36 -17.595 11.835 7.954 143 HG2 ARG 36 HG1 ARG 36 -16.622 10.735 6.296 144 HG3 ARG 36 HG2 ARG 36 -15.730 9.723 7.444 145 HD2 ARG 36 HD1 ARG 36 -18.070 8.511 7.686 146 HD3 ARG 36 HD2 ARG 36 -18.329 9.211 6.083 147 HE ARG 36 HE ARG 36 -15.835 7.942 6.092 148 HH11 ARG 36 HH11 ARG 36 -19.219 7.153 6.288 149 HH12 ARG 36 HH12 ARG 36 -19.029 5.588 5.570 150 HH21 ARG 36 HH21 ARG 36 -15.572 5.884 5.145 151 HH22 ARG 36 HH22 ARG 36 -16.954 4.867 4.921 152 H LYS 37 H LYS 37 -14.957 12.458 7.925 153 HA LYS 37 HA LYS 37 -15.344 14.921 9.488 154 HB2 LYS 37 HB1 LYS 37 -12.907 13.505 9.061 155 HB3 LYS 37 HB2 LYS 37 -12.826 15.024 8.153 156 HG2 LYS 37 HG1 LYS 37 -13.900 15.528 10.766 157 HG3 LYS 37 HG2 LYS 37 -12.375 14.632 10.892 158 HD2 LYS 37 HD1 LYS 37 -11.138 16.366 10.165 159 HD3 LYS 37 HD2 LYS 37 -12.329 16.809 8.929 160 HE2 LYS 37 HE1 LYS 37 -13.680 17.475 11.195 161 HE3 LYS 37 HE2 LYS 37 -12.007 17.793 11.682 162 HZ1 LYS 37 HZ1 LYS 37 -13.277 18.885 9.229 163 HZ2 LYS 37 HZ2 LYS 37 -11.732 19.254 9.813 164 HZ3 LYS 37 HZ3 LYS 37 -13.102 19.735 10.682 165 H GLY 38 H GLY 38 -14.354 13.576 6.348 166 HA2 GLY 38 HA2 GLY 38 -15.938 14.553 4.553 167 HA3 GLY 38 HA3 GLY 38 -15.224 16.075 5.063 168 HA1 GLY 38 HA1 GLY 38 -15.298 13.976 4.736 169 H SER 39 H SER 39 -13.677 12.915 4.627 170 HA SER 39 HA SER 39 -12.142 14.040 2.385 171 HB2 SER 39 HB1 SER 39 -10.143 12.740 3.326 172 HB3 SER 39 HB2 SER 39 -10.607 14.224 4.178 173 HG SER 39 HG SER 39 -10.945 13.066 5.885 174 H GLN 40 H GLN 40 -11.349 12.519 0.875 175 HA GLN 40 HA GLN 40 -13.078 10.321 0.418 176 HB2 GLN 40 HB1 GLN 40 -10.994 11.722 -0.995 177 HB3 GLN 40 HB2 GLN 40 -10.764 9.973 -1.153 178 HG2 GLN 40 HG1 GLN 40 -13.447 11.217 -1.650 179 HG3 GLN 40 HG2 GLN 40 -12.194 11.206 -2.899 180 HE21 GLN 40 HE21 GLN 40 -12.875 9.754 -4.326 181 HE22 GLN 40 HE22 GLN 40 -13.294 8.117 -3.966 182 H CYS 41 H CYS 41 -9.732 10.574 1.550 183 HA CYS 41 HA CYS 41 -9.972 7.910 2.716 184 HB2 CYS 41 HB1 CYS 41 -7.913 7.098 1.799 185 HB3 CYS 41 HB2 CYS 41 -8.923 7.643 0.459 186 H LEU 42 H LEU 42 -8.824 7.641 4.588 187 HA LEU 42 HA LEU 42 -7.654 10.063 5.714 188 HB2 LEU 42 HB1 LEU 42 -8.646 7.468 6.846 189 HB3 LEU 42 HB2 LEU 42 -7.581 8.516 7.798 190 HG LEU 42 HG LEU 42 -9.590 10.218 6.911 191 HD11 LEU 42 HD11 LEU 42 -11.664 9.178 7.362 192 HD12 LEU 42 HD12 LEU 42 -10.884 7.712 7.957 193 HD13 LEU 42 HD13 LEU 42 -10.811 8.115 6.242 194 HD21 LEU 42 HD21 LEU 42 -8.995 8.820 9.495 195 HD22 LEU 42 HD22 LEU 42 -10.361 9.927 9.352 196 HD23 LEU 42 HD23 LEU 42 -8.721 10.505 9.052 197 H SER 43 H SER 43 -6.733 6.926 4.565 198 HA SER 43 HA SER 43 -3.933 7.626 4.886 199 HB2 SER 43 HB1 SER 43 -5.039 6.122 6.873 200 HB3 SER 43 HB2 SER 43 -4.492 4.860 5.755 201 HG SER 43 HG SER 43 -2.761 5.279 7.032 202 H ASP 44 H ASP 44 -2.555 5.729 3.940 203 HA ASP 44 HA ASP 44 -3.339 5.407 1.245 204 HB2 ASP 44 HB1 ASP 44 -1.339 3.883 1.107 205 HB3 ASP 44 HB2 ASP 44 -1.003 5.497 1.751 206 HD2 ASP 44 HD ASP 44 0.221 4.189 4.655 207 H THR 45 H THR 45 -3.785 3.466 4.081 208 HA THR 45 HA THR 45 -4.159 0.939 2.990 209 HB THR 45 HB THR 45 -6.039 1.714 5.144 210 HG1 THR 45 HG1 THR 45 -3.205 1.847 5.436 211 HG21 THR 45 HG21 THR 45 -4.545 -0.304 6.107 212 HG22 THR 45 HG22 THR 45 -4.315 -0.563 4.378 213 HG23 THR 45 HG23 THR 45 -5.941 -0.551 5.060 214 H ASP 46 H ASP 46 -6.178 3.749 2.839 215 HA ASP 46 HA ASP 46 -8.624 2.451 2.218 216 HB2 ASP 46 HB1 ASP 46 -7.762 5.092 2.653 217 HB3 ASP 46 HB2 ASP 46 -8.409 5.066 1.007 218 HD2 ASP 46 HD ASP 46 -10.980 5.323 3.790 219 H CYS 47 H CYS 47 -5.819 3.305 0.365 220 HA CYS 47 HA CYS 47 -7.192 2.825 -2.166 221 HB2 CYS 47 HB1 CYS 47 -4.651 4.095 -1.328 222 HB3 CYS 47 HB2 CYS 47 -4.601 3.230 -2.864 223 H ASN 48 H ASN 48 -5.655 1.565 -3.789 224 HA ASN 48 HA ASN 48 -5.762 -1.115 -3.133 225 HB2 ASN 48 HB1 ASN 48 -5.299 0.196 -5.413 226 HB3 ASN 48 HB2 ASN 48 -3.632 -0.248 -5.028 227 HD21 ASN 48 HD21 ASN 48 -5.326 -1.155 -7.210 228 HD22 ASN 48 HD22 ASN 48 -5.405 -2.876 -7.074 229 H THR 49 H THR 49 -4.243 -2.657 -2.502 230 HA THR 49 HA THR 49 -2.512 -1.994 -0.448 231 HB THR 49 HB THR 49 -3.370 -4.287 -0.893 232 HG1 THR 49 HG1 THR 49 -1.597 -3.995 0.524 233 HG21 THR 49 HG21 THR 49 -2.213 -5.717 -2.485 234 HG22 THR 49 HG22 THR 49 -1.191 -4.369 -2.982 235 HG23 THR 49 HG23 THR 49 -2.921 -4.333 -3.316 236 H ARG 50 H ARG 50 -1.936 -2.098 -3.892 237 HA ARG 50 HA ARG 50 0.912 -1.527 -3.454 238 HB2 ARG 50 HB1 ARG 50 1.238 -2.081 -5.807 239 HB3 ARG 50 HB2 ARG 50 0.415 -3.400 -4.961 240 HG2 ARG 50 HG1 ARG 50 -1.748 -2.596 -5.857 241 HG3 ARG 50 HG2 ARG 50 -0.863 -1.367 -6.776 242 HD2 ARG 50 HD1 ARG 50 0.465 -3.720 -7.400 243 HD3 ARG 50 HD2 ARG 50 -1.238 -4.195 -7.334 244 HE ARG 50 HE ARG 50 -1.212 -1.901 -8.829 245 HH11 ARG 50 HH11 ARG 50 0.346 -5.009 -9.017 246 HH12 ARG 50 HH12 ARG 50 0.441 -5.002 -10.747 247 HH21 ARG 50 HH21 ARG 50 -1.091 -1.880 -11.106 248 HH22 ARG 50 HH22 ARG 50 -0.376 -3.221 -11.934 249 H LYS 51 H LYS 51 -1.226 0.420 -3.035 250 HA LYS 51 HA LYS 51 -0.196 2.500 -4.809 251 HB2 LYS 51 HB1 LYS 51 -3.109 1.787 -4.469 252 HB3 LYS 51 HB2 LYS 51 -2.588 3.391 -5.009 253 HG2 LYS 51 HG1 LYS 51 -1.459 2.395 -6.936 254 HG3 LYS 51 HG2 LYS 51 -1.976 0.788 -6.397 255 HD2 LYS 51 HD1 LYS 51 -4.265 1.275 -6.776 256 HD3 LYS 51 HD2 LYS 51 -3.932 3.006 -6.959 257 HE2 LYS 51 HE1 LYS 51 -3.012 2.751 -9.083 258 HE3 LYS 51 HE2 LYS 51 -2.661 1.037 -8.818 259 HZ1 LYS 51 HZ1 LYS 51 -5.379 2.192 -9.133 260 HZ2 LYS 51 HZ2 LYS 51 -5.014 0.552 -8.936 261 HZ3 LYS 51 HZ3 LYS 51 -4.523 1.366 -10.337 262 H PHE 52 H PHE 52 -0.659 4.682 -4.019 263 HA PHE 52 HA PHE 52 -1.160 4.744 -1.117 264 HB2 PHE 52 HB1 PHE 52 0.495 6.594 -0.968 265 HB3 PHE 52 HB2 PHE 52 1.210 5.061 -1.472 266 HD1 PHE 52 HD1 PHE 52 0.337 8.444 -2.533 267 HD2 PHE 52 HD2 PHE 52 2.055 4.734 -3.713 268 HE1 PHE 52 HE1 PHE 52 1.292 9.524 -4.526 269 HE2 PHE 52 HE2 PHE 52 3.014 5.808 -5.708 270 HZ PHE 52 HZ PHE 52 2.633 8.207 -6.116 271 H CYS 53 H CYS 53 -1.943 6.805 -0.292 272 HA CYS 53 HA CYS 53 -3.813 8.020 -2.169 273 HB2 CYS 53 HB1 CYS 53 -3.787 7.457 0.658 274 HB3 CYS 53 HB2 CYS 53 -4.116 9.169 0.391 275 H LEU 54 H LEU 54 -3.005 9.654 -3.323 276 HA LEU 54 HA LEU 54 -1.091 11.490 -2.097 277 HB2 LEU 54 HB1 LEU 54 -0.512 10.587 -4.277 278 HB3 LEU 54 HB2 LEU 54 -2.034 11.197 -4.945 279 HG LEU 54 HG LEU 54 -0.828 13.471 -3.946 280 HD11 LEU 54 HD11 LEU 54 1.437 13.420 -4.941 281 HD12 LEU 54 HD12 LEU 54 1.258 11.681 -5.182 282 HD13 LEU 54 HD13 LEU 54 1.262 12.350 -3.550 283 HD21 LEU 54 HD21 LEU 54 -1.999 13.476 -5.998 284 HD22 LEU 54 HD22 LEU 54 -0.928 12.263 -6.700 285 HD23 LEU 54 HD23 LEU 54 -0.331 13.895 -6.390 286 H GLN 55 H GLN 55 -1.685 13.403 -1.330 287 HA GLN 55 HA GLN 55 -4.256 14.531 -2.225 288 HB2 GLN 55 HB1 GLN 55 -4.313 15.652 0.040 289 HB3 GLN 55 HB2 GLN 55 -4.528 13.893 0.045 290 HG2 GLN 55 HG1 GLN 55 -1.736 14.581 0.303 291 HG3 GLN 55 HG2 GLN 55 -2.713 15.376 1.546 292 HE21 GLN 55 HE21 GLN 55 -0.756 13.205 1.760 293 HE22 GLN 55 HE22 GLN 55 -1.588 11.894 2.516 294 HA PRO 56 HA PRO 56 -1.078 17.553 -3.547 295 HB2 PRO 56 HB1 PRO 56 -2.493 18.405 -5.733 296 HB3 PRO 56 HB2 PRO 56 -1.466 16.971 -5.736 297 HG2 PRO 56 HG1 PRO 56 -4.436 17.184 -5.363 298 HG3 PRO 56 HG2 PRO 56 -3.494 16.036 -6.386 299 HD2 PRO 56 HD1 PRO 56 -4.523 15.341 -3.971 300 HD3 PRO 56 HD2 PRO 56 -2.995 14.687 -4.586 301 H ARG 57 H ARG 57 -1.091 19.821 -3.475 302 HA ARG 57 HA ARG 57 -3.220 20.947 -1.878 303 HB2 ARG 57 HB1 ARG 57 -0.703 22.227 -2.975 304 HB3 ARG 57 HB2 ARG 57 -1.790 22.941 -1.774 305 HG2 ARG 57 HG1 ARG 57 -1.279 21.079 -0.231 306 HG3 ARG 57 HG2 ARG 57 -0.123 20.460 -1.420 307 HD2 ARG 57 HD1 ARG 57 0.789 22.967 -1.266 308 HD3 ARG 57 HD2 ARG 57 0.055 22.842 0.339 309 HE ARG 57 HE ARG 57 2.449 21.559 -0.559 310 HH11 ARG 57 HH11 ARG 57 -0.241 21.306 1.637 311 HH12 ARG 57 HH12 ARG 57 0.610 20.309 2.770 312 HH21 ARG 57 HH21 ARG 57 3.579 20.246 0.925 313 HH22 ARG 57 HH22 ARG 57 2.783 19.707 2.364 314 H ASP 58 H ASP 58 -1.804 21.522 -5.082 315 HA ASP 58 HA ASP 58 -3.664 23.591 -5.752 316 HB2 ASP 58 HB1 ASP 58 -1.323 22.360 -6.934 317 HB3 ASP 58 HB2 ASP 58 -2.609 22.549 -8.134 318 HD2 ASP 58 HD ASP 58 -2.272 25.978 -8.193 319 H GLU 59 H GLU 59 -3.669 20.149 -5.916 320 HA GLU 59 HA GLU 59 -6.165 20.233 -7.482 321 HB2 GLU 59 HB1 GLU 59 -3.936 18.210 -7.433 322 HB3 GLU 59 HB2 GLU 59 -5.560 17.778 -7.989 323 HG2 GLU 59 HG1 GLU 59 -4.582 20.218 -9.234 324 HG3 GLU 59 HG2 GLU 59 -3.528 18.827 -9.527 325 HE2 GLU 59 HE GLU 59 -7.260 18.355 -10.815 326 H LYS 60 H LYS 60 -7.317 17.929 -7.069 327 HA LYS 60 HA LYS 60 -7.900 17.945 -4.212 328 HB2 LYS 60 HB1 LYS 60 -9.329 17.123 -6.680 329 HB3 LYS 60 HB2 LYS 60 -9.685 16.194 -5.214 330 HG2 LYS 60 HG1 LYS 60 -10.951 17.817 -4.371 331 HG3 LYS 60 HG2 LYS 60 -9.715 19.042 -4.706 332 HD2 LYS 60 HD1 LYS 60 -11.477 19.759 -6.032 333 HD3 LYS 60 HD2 LYS 60 -10.506 18.810 -7.169 334 HE2 LYS 60 HE1 LYS 60 -12.154 16.895 -6.092 335 HE3 LYS 60 HE2 LYS 60 -13.200 18.320 -6.136 336 HZ1 LYS 60 HZ1 LYS 60 -12.090 16.774 -8.329 337 HZ2 LYS 60 HZ2 LYS 60 -12.111 18.450 -8.555 338 HZ3 LYS 60 HZ3 LYS 60 -13.551 17.622 -8.231 339 HA PRO 61 HA PRO 61 -5.981 14.124 -3.228 340 HB2 PRO 61 HB1 PRO 61 -7.792 12.969 -1.530 341 HB3 PRO 61 HB2 PRO 61 -6.806 14.365 -1.097 342 HG2 PRO 61 HG1 PRO 61 -9.638 14.270 -2.082 343 HG3 PRO 61 HG2 PRO 61 -8.934 15.225 -0.724 344 HD2 PRO 61 HD1 PRO 61 -9.469 16.309 -3.155 345 HD3 PRO 61 HD2 PRO 61 -8.102 16.830 -2.154 346 H PHE 62 H PHE 62 -5.729 12.263 -4.290 347 HA PHE 62 HA PHE 62 -8.024 10.652 -5.035 348 HB2 PHE 62 HB1 PHE 62 -7.231 10.471 -7.414 349 HB3 PHE 62 HB2 PHE 62 -7.909 12.042 -6.979 350 HD1 PHE 62 HD1 PHE 62 -4.649 10.276 -7.274 351 HD2 PHE 62 HD2 PHE 62 -6.730 13.988 -7.401 352 HE1 PHE 62 HE1 PHE 62 -2.598 11.396 -8.042 353 HE2 PHE 62 HE2 PHE 62 -4.683 15.113 -8.170 354 HZ PHE 62 HZ PHE 62 -2.613 13.818 -8.492 355 H CYS 63 H CYS 63 -7.091 8.684 -6.418 356 HA CYS 63 HA CYS 63 -4.969 7.565 -4.756 357 HB2 CYS 63 HB1 CYS 63 -7.267 6.452 -5.384 358 HB3 CYS 63 HB2 CYS 63 -6.418 6.007 -6.864 359 H ALA 64 H ALA 64 -2.953 7.239 -5.444 360 HA ALA 64 HA ALA 64 -2.367 7.751 -8.280 361 HB1 ALA 64 HB1 ALA 64 -0.055 7.635 -6.532 362 HB2 ALA 64 HB2 ALA 64 -0.582 8.915 -7.627 363 HB3 ALA 64 HB3 ALA 64 -1.241 8.825 -5.993 364 H THR 65 H THR 65 -0.437 6.535 -9.141 365 HA THR 65 HA THR 65 -0.773 3.702 -8.495 366 HB THR 65 HB THR 65 0.947 4.510 -10.771 367 HG1 THR 65 HG1 THR 65 -0.863 5.025 -12.046 368 HG21 THR 65 HG21 THR 65 -0.657 2.711 -11.800 369 HG22 THR 65 HG22 THR 65 -1.027 2.367 -10.111 370 HG23 THR 65 HG23 THR 65 0.630 2.225 -10.698 371 H CYS 66 H CYS 66 1.212 2.317 -8.649 372 HA CYS 66 HA CYS 66 3.072 3.027 -6.702 373 HB2 CYS 66 HB1 CYS 66 2.490 0.703 -7.575 374 HB3 CYS 66 HB2 CYS 66 3.608 1.033 -8.901 375 H ARG 67 H ARG 67 5.231 3.673 -6.780 376 HA ARG 67 HA ARG 67 6.027 4.975 -9.301 377 HB2 ARG 67 HB1 ARG 67 5.830 5.974 -6.627 378 HB3 ARG 67 HB2 ARG 67 7.529 6.005 -7.120 379 HG2 ARG 67 HG1 ARG 67 7.196 7.818 -8.344 380 HG3 ARG 67 HG2 ARG 67 5.922 6.997 -9.260 381 HD2 ARG 67 HD1 ARG 67 4.365 7.517 -7.314 382 HD3 ARG 67 HD2 ARG 67 5.647 8.583 -6.720 383 HE ARG 67 HE ARG 67 4.951 9.118 -9.443 384 HH11 ARG 67 HH11 ARG 67 4.056 9.695 -6.129 385 HH12 ARG 67 HH12 ARG 67 3.242 11.186 -6.473 386 HH21 ARG 67 HH21 ARG 67 3.883 11.079 -9.908 387 HH22 ARG 67 HH22 ARG 67 3.143 11.971 -8.623 388 H GLY 68 H GLY 68 8.023 4.590 -10.142 389 HA2 GLY 68 HA2 GLY 68 9.390 2.233 -9.299 390 HA3 GLY 68 HA3 GLY 68 9.897 3.325 -10.578 391 HA1 GLY 68 HA1 GLY 68 9.200 2.790 -8.643 392 H LEU 69 H LEU 69 11.999 2.569 -9.473 393 HA LEU 69 HA LEU 69 12.676 3.785 -6.976 394 HB2 LEU 69 HB1 LEU 69 14.335 2.498 -9.144 395 HB3 LEU 69 HB2 LEU 69 15.014 3.126 -7.632 396 HG LEU 69 HG LEU 69 13.046 0.854 -7.901 397 HD11 LEU 69 HD11 LEU 69 15.932 1.007 -7.913 398 HD12 LEU 69 HD12 LEU 69 14.874 -0.364 -8.241 399 HD13 LEU 69 HD13 LEU 69 15.337 0.014 -6.582 400 HD21 LEU 69 HD21 LEU 69 12.495 1.874 -5.872 401 HD22 LEU 69 HD22 LEU 69 14.174 2.280 -5.514 402 HD23 LEU 69 HD23 LEU 69 13.632 0.604 -5.420 403 H ARG 70 H ARG 70 13.692 4.415 -10.336 404 HA ARG 70 HA ARG 70 15.238 6.669 -9.856 405 HB2 ARG 70 HB1 ARG 70 13.674 5.685 -12.215 406 HB3 ARG 70 HB2 ARG 70 14.416 7.292 -12.271 407 HG2 ARG 70 HG1 ARG 70 16.133 5.020 -11.421 408 HG3 ARG 70 HG2 ARG 70 15.676 5.128 -13.129 409 HD2 ARG 70 HD1 ARG 70 16.947 7.371 -11.544 410 HD3 ARG 70 HD2 ARG 70 17.820 6.260 -12.609 411 HE ARG 70 HE ARG 70 15.938 7.261 -14.249 412 HH11 ARG 70 HH11 ARG 70 18.198 8.765 -12.070 413 HH12 ARG 70 HH12 ARG 70 18.344 10.211 -13.012 414 HH21 ARG 70 HH21 ARG 70 16.122 9.160 -15.498 415 HH22 ARG 70 HH22 ARG 70 17.163 10.436 -14.961 416 H ARG 71 H ARG 71 11.790 6.303 -9.899 417 HA ARG 71 HA ARG 71 10.986 8.935 -10.369 418 HB2 ARG 71 HB1 ARG 71 9.804 6.494 -9.345 419 HB3 ARG 71 HB2 ARG 71 9.197 7.912 -8.478 420 HG2 ARG 71 HG1 ARG 71 7.780 7.314 -10.391 421 HG3 ARG 71 HG2 ARG 71 8.488 8.930 -10.551 422 HD2 ARG 71 HD1 ARG 71 9.964 8.277 -12.223 423 HD3 ARG 71 HD2 ARG 71 9.880 6.573 -11.751 424 HE ARG 71 HE ARG 71 7.354 7.152 -12.591 425 HH11 ARG 71 HH11 ARG 71 10.528 7.436 -13.991 426 HH12 ARG 71 HH12 ARG 71 9.975 7.207 -15.616 427 HH21 ARG 71 HH21 ARG 71 6.612 6.850 -14.727 428 HH22 ARG 71 HH22 ARG 71 7.747 6.875 -16.033 429 H ARG 72 H ARG 72 10.568 10.683 -9.033 430 HA ARG 72 HA ARG 72 12.227 10.839 -6.672 431 HB2 ARG 72 HB1 ARG 72 10.403 12.922 -7.897 432 HB3 ARG 72 HB2 ARG 72 11.638 13.208 -6.662 433 HG2 ARG 72 HG1 ARG 72 13.105 12.020 -8.637 434 HG3 ARG 72 HG2 ARG 72 11.912 12.950 -9.558 435 HD2 ARG 72 HD1 ARG 72 13.220 14.324 -7.268 436 HD3 ARG 72 HD2 ARG 72 14.210 14.001 -8.698 437 HE ARG 72 HE ARG 72 12.108 15.928 -8.461 438 HH11 ARG 72 HH11 ARG 72 13.823 13.868 -10.683 439 HH12 ARG 72 HH12 ARG 72 13.479 14.853 -12.066 440 HH21 ARG 72 HH21 ARG 72 11.649 17.233 -10.274 441 HH22 ARG 72 HH22 ARG 72 12.242 16.768 -11.832 442 H CYS 73 H CYS 73 11.433 11.656 -4.619 443 HA CYS 73 HA CYS 73 8.587 11.350 -4.094 444 HB2 CYS 73 HB1 CYS 73 9.013 9.809 -2.181 445 HB3 CYS 73 HB2 CYS 73 9.341 9.088 -3.757 446 H GLN 74 H GLN 74 7.949 12.168 -2.005 447 HA GLN 74 HA GLN 74 9.874 14.135 -0.963 448 HB2 GLN 74 HB1 GLN 74 7.121 14.334 -1.759 449 HB3 GLN 74 HB2 GLN 74 7.270 14.736 -0.041 450 HG2 GLN 74 HG1 GLN 74 7.816 16.789 -0.686 451 HG3 GLN 74 HG2 GLN 74 9.367 16.100 -1.186 452 HE21 GLN 74 HE21 GLN 74 7.949 18.360 -2.302 453 HE22 GLN 74 HE22 GLN 74 7.665 17.991 -3.965 454 H ARG 75 H ARG 75 7.817 11.467 -0.150 455 HA ARG 75 HA ARG 75 8.891 11.513 2.575 456 HB2 ARG 75 HB1 ARG 75 5.973 11.197 1.840 457 HB3 ARG 75 HB2 ARG 75 6.639 10.805 3.433 458 HG2 ARG 75 HG1 ARG 75 7.019 13.012 3.986 459 HG3 ARG 75 HG2 ARG 75 7.076 13.524 2.290 460 HD2 ARG 75 HD1 ARG 75 4.548 12.667 2.345 461 HD3 ARG 75 HD2 ARG 75 4.738 13.064 4.058 462 HE ARG 75 HE ARG 75 5.691 15.236 2.620 463 HH11 ARG 75 HH11 ARG 75 2.683 13.541 3.062 464 HH12 ARG 75 HH12 ARG 75 1.701 14.941 2.781 465 HH21 ARG 75 HH21 ARG 75 4.410 17.087 2.246 466 HH22 ARG 75 HH22 ARG 75 2.685 16.956 2.315 467 H ASP 76 H ASP 76 8.093 9.343 3.695 468 HA ASP 76 HA ASP 76 9.248 7.234 2.160 469 HB2 ASP 76 HB1 ASP 76 8.543 5.818 4.158 470 HB3 ASP 76 HB2 ASP 76 9.650 7.157 4.492 471 HD2 ASP 76 HD ASP 76 7.289 8.849 6.383 472 H ALA 77 H ALA 77 5.974 7.765 3.462 473 HA ALA 77 HA ALA 77 4.815 5.492 2.269 474 HB1 ALA 77 HB1 ALA 77 2.807 6.246 3.090 475 HB2 ALA 77 HB2 ALA 77 3.939 7.097 4.141 476 HB3 ALA 77 HB3 ALA 77 3.193 7.940 2.784 477 H MET 78 H MET 78 5.591 8.632 1.030 478 HA MET 78 HA MET 78 3.820 8.885 -1.087 479 HB2 MET 78 HB1 MET 78 6.599 9.826 -0.550 480 HB3 MET 78 HB2 MET 78 5.974 9.985 -2.199 481 HG2 MET 78 HG1 MET 78 4.576 11.070 0.246 482 HG3 MET 78 HG2 MET 78 5.675 12.002 -0.774 483 HE1 MET 78 HE1 MET 78 3.959 12.911 -3.818 484 HE2 MET 78 HE2 MET 78 5.480 12.474 -3.040 485 HE3 MET 78 HE3 MET 78 4.615 11.285 -4.014 486 H CYS 79 H CYS 79 6.543 6.761 -0.707 487 HA CYS 79 HA CYS 79 6.259 5.868 -3.497 488 HB2 CYS 79 HB1 CYS 79 8.528 6.648 -2.488 489 HB3 CYS 79 HB2 CYS 79 8.528 5.071 -1.696 490 H CYS 80 H CYS 80 6.319 3.573 -3.922 491 HA CYS 80 HA CYS 80 4.496 2.091 -2.462 492 HB2 CYS 80 HB1 CYS 80 6.482 1.519 -4.579 493 HB3 CYS 80 HB2 CYS 80 5.952 0.123 -3.638 494 HA PRO 81 HA PRO 81 6.560 0.364 1.002 495 HB2 PRO 81 HB1 PRO 81 5.556 -2.183 1.081 496 HB3 PRO 81 HB2 PRO 81 4.612 -0.753 1.488 497 HG2 PRO 81 HG1 PRO 81 4.735 -2.281 -1.090 498 HG3 PRO 81 HG2 PRO 81 3.295 -1.658 -0.201 499 HD2 PRO 81 HD1 PRO 81 4.330 -0.401 -2.372 500 HD3 PRO 81 HD2 PRO 81 3.585 0.474 -1.025 501 H GLY 82 H GLY 82 8.196 -1.094 1.702 502 HA2 GLY 82 HA2 GLY 82 9.788 -2.812 1.391 503 HA3 GLY 82 HA3 GLY 82 9.391 -2.837 -0.321 504 HA1 GLY 82 HA1 GLY 82 9.774 -1.946 1.572 505 H THR 83 H THR 83 9.589 0.213 -0.240 506 HA THR 83 HA THR 83 12.532 0.333 -0.378 507 HB THR 83 HB THR 83 11.850 2.393 -1.950 508 HG1 THR 83 HG1 THR 83 9.734 0.498 -2.208 509 HG21 THR 83 HG21 THR 83 12.689 -0.330 -2.342 510 HG22 THR 83 HG22 THR 83 13.115 1.112 -3.263 511 HG23 THR 83 HG23 THR 83 11.672 0.192 -3.684 512 H LEU 84 H LEU 84 13.303 2.716 -0.286 513 HA LEU 84 HA LEU 84 11.763 4.213 1.718 514 HB2 LEU 84 HB1 LEU 84 14.062 2.774 2.287 515 HB3 LEU 84 HB2 LEU 84 14.639 4.437 2.072 516 HG LEU 84 HG LEU 84 12.399 4.642 3.738 517 HD11 LEU 84 HD11 LEU 84 13.007 2.059 3.932 518 HD12 LEU 84 HD12 LEU 84 12.458 3.011 5.311 519 HD13 LEU 84 HD13 LEU 84 14.178 2.697 5.085 520 HD21 LEU 84 HD21 LEU 84 13.942 5.523 5.296 521 HD22 LEU 84 HD22 LEU 84 14.578 5.922 3.700 522 HD23 LEU 84 HD23 LEU 84 15.275 4.587 4.619 523 H CYS 85 H CYS 85 11.884 6.427 1.578 524 HA CYS 85 HA CYS 85 12.725 7.495 -0.946 525 HB2 CYS 85 HB1 CYS 85 10.688 8.206 0.417 526 HB3 CYS 85 HB2 CYS 85 11.817 9.084 1.451 527 H VAL 86 H VAL 86 14.853 7.705 -1.288 528 HA VAL 86 HA VAL 86 16.447 9.074 0.782 529 HB VAL 86 HB VAL 86 17.428 7.061 -1.249 530 HG11 VAL 86 HG11 VAL 86 19.556 7.213 -0.006 531 HG12 VAL 86 HG12 VAL 86 19.114 8.731 -0.790 532 HG13 VAL 86 HG13 VAL 86 18.879 8.533 0.948 533 HG21 VAL 86 HG21 VAL 86 16.553 5.621 0.248 534 HG22 VAL 86 HG22 VAL 86 18.008 6.003 1.171 535 HG23 VAL 86 HG23 VAL 86 16.491 6.828 1.531 536 H ASN 87 H ASN 87 17.433 10.914 0.219 537 HA ASN 87 HA ASN 87 18.004 12.748 -1.003 538 HB2 ASN 87 HB1 ASN 87 18.644 10.601 -3.044 539 HB3 ASN 87 HB2 ASN 87 19.147 12.291 -3.176 540 HD21 ASN 87 HD21 ASN 87 20.689 9.768 -2.916 541 HD22 ASN 87 HD22 ASN 87 21.744 10.023 -1.572 542 H ASP 88 H ASP 88 15.262 12.078 -1.025 543 HA ASP 88 HA ASP 88 13.321 12.697 -2.040 544 HB2 ASP 88 HB1 ASP 88 14.942 14.732 -2.541 545 HB3 ASP 88 HB2 ASP 88 14.788 14.147 -4.201 546 HD2 ASP 88 HD ASP 88 11.402 15.043 -4.333 547 H VAL 89 H VAL 89 14.861 10.312 -2.910 548 HA VAL 89 HA VAL 89 13.359 9.822 -5.370 549 HB VAL 89 HB VAL 89 16.302 9.196 -5.099 550 HG11 VAL 89 HG11 VAL 89 16.095 8.418 -7.439 551 HG12 VAL 89 HG12 VAL 89 15.165 7.440 -6.302 552 HG13 VAL 89 HG13 VAL 89 14.348 8.624 -7.323 553 HG21 VAL 89 HG21 VAL 89 16.335 10.704 -7.201 554 HG22 VAL 89 HG22 VAL 89 14.784 11.295 -6.602 555 HG23 VAL 89 HG23 VAL 89 16.233 11.460 -5.611 556 H CYS 90 H CYS 90 12.693 7.715 -5.641 557 HA CYS 90 HA CYS 90 12.498 6.118 -3.311 558 HB2 CYS 90 HB1 CYS 90 11.884 5.513 -6.212 559 HB3 CYS 90 HB2 CYS 90 11.493 4.425 -4.878 560 H THR 91 H THR 91 14.232 5.157 -2.461 561 HA THR 91 HA THR 91 15.992 3.631 -4.269 562 HB THR 91 HB THR 91 16.820 4.829 -1.622 563 HG1 THR 91 HG1 THR 91 16.309 6.234 -3.655 564 HG21 THR 91 HG21 THR 91 19.110 4.419 -2.588 565 HG22 THR 91 HG22 THR 91 18.326 3.493 -3.869 566 HG23 THR 91 HG23 THR 91 18.195 2.965 -2.192 567 H THR 92 H THR 92 16.623 1.581 -3.648 568 HA THR 92 HA THR 92 14.820 0.108 -2.061 569 HB THR 92 HB THR 92 16.628 -1.712 -2.228 570 HG1 THR 92 HG1 THR 92 18.265 -1.259 -3.752 571 HG21 THR 92 HG21 THR 92 15.199 -2.250 -3.860 572 HG22 THR 92 HG22 THR 92 16.270 -1.386 -4.962 573 HG23 THR 92 HG23 THR 92 14.891 -0.556 -4.241 574 H MET 93 H MET 93 15.140 -0.976 -0.074 575 HA MET 93 HA MET 93 16.436 0.576 1.913 576 HB2 MET 93 HB1 MET 93 14.455 -1.325 1.899 577 HB3 MET 93 HB2 MET 93 15.803 -2.193 2.647 578 HG2 MET 93 HG1 MET 93 15.924 -0.738 4.460 579 HG3 MET 93 HG2 MET 93 15.041 0.531 3.607 580 HE1 MET 93 HE1 MET 93 14.315 -2.262 6.452 581 HE2 MET 93 HE2 MET 93 14.901 -0.599 6.422 582 HE3 MET 93 HE3 MET 93 13.228 -0.937 6.869 583 H GLU 94 H GLU 94 17.313 -2.328 0.151 584 HA GLU 94 HA GLU 94 19.463 -3.166 1.744 585 HB2 GLU 94 HB1 GLU 94 19.075 -3.450 -1.245 586 HB3 GLU 94 HB2 GLU 94 20.245 -4.358 -0.273 587 HG2 GLU 94 HG1 GLU 94 18.067 -5.000 1.096 588 HG3 GLU 94 HG2 GLU 94 17.300 -4.650 -0.460 589 HE2 GLU 94 HE GLU 94 18.623 -8.143 -0.184 590 H ASP 95 H ASP 95 19.258 -0.794 -0.846 591 HA ASP 95 HA ASP 95 22.104 -0.330 -0.893 592 HB2 ASP 95 HB1 ASP 95 19.786 0.454 -2.471 593 HB3 ASP 95 HB2 ASP 95 20.869 1.819 -2.168 594 HD2 ASP 95 HD ASP 95 23.504 -0.074 -3.794 595 H ALA 96 H ALA 96 19.255 1.208 0.485 596 HA ALA 96 HA ALA 96 20.279 3.650 1.263 597 HB1 ALA 96 HB1 ALA 96 18.590 2.412 3.302 598 HB2 ALA 96 HB2 ALA 96 18.343 3.884 2.362 599 HB3 ALA 96 HB3 ALA 96 17.930 2.316 1.669 600 H THR 97 H THR 97 20.851 0.490 2.627 601 HA THR 97 HA THR 97 22.062 1.465 5.044 602 HB THR 97 HB THR 97 22.481 -1.301 3.942 603 HG1 THR 97 HG1 THR 97 20.119 -0.120 4.874 604 HG21 THR 97 HG21 THR 97 22.464 -0.013 6.648 605 HG22 THR 97 HG22 THR 97 23.688 -1.047 5.914 606 HG23 THR 97 HG23 THR 97 22.169 -1.743 6.478 607 H GLU 98 H GLU 98 23.586 2.950 4.035 608 HA GLU 98 HA GLU 98 25.631 2.177 2.294 609 HB2 GLU 98 HB1 GLU 98 24.862 4.532 3.259 610 HB3 GLU 98 HB2 GLU 98 26.202 4.229 4.377 611 HG2 GLU 98 HG1 GLU 98 27.587 5.048 2.859 612 HG3 GLU 98 HG2 GLU 98 27.221 3.639 1.851 613 HE2 GLU 98 HE GLU 98 26.329 6.904 0.253 614 H ASN 99 H ASN 99 27.989 2.120 2.864 615 HA ASN 99 HA ASN 99 29.735 1.050 3.854 616 HB2 ASN 99 HB1 ASN 99 28.509 2.581 5.835 617 HB3 ASN 99 HB2 ASN 99 28.720 0.992 6.580 618 HD21 ASN 99 HD21 ASN 99 30.545 0.737 7.621 619 HD22 ASN 99 HD22 ASN 99 32.045 1.516 7.263 620 H LEU 100 H LEU 100 30.131 -0.772 5.721 621 HA LEU 100 HA LEU 100 28.233 -2.928 5.065 622 HB2 LEU 100 HB1 LEU 100 31.161 -3.179 5.771 623 HB3 LEU 100 HB2 LEU 100 30.069 -4.488 5.284 624 HG LEU 100 HG LEU 100 29.851 -2.975 3.105 625 HD11 LEU 100 HD11 LEU 100 32.193 -2.149 2.589 626 HD12 LEU 100 HD12 LEU 100 32.497 -2.237 4.324 627 HD13 LEU 100 HD13 LEU 100 31.237 -1.171 3.702 628 HD21 LEU 100 HD21 LEU 100 30.627 -5.358 3.354 629 HD22 LEU 100 HD22 LEU 100 32.263 -4.724 3.540 630 HD23 LEU 100 HD23 LEU 100 31.376 -4.448 2.041 631 H TYR 101 H TYR 101 28.894 -4.846 6.811 632 HA TYR 101 HA TYR 101 28.555 -3.606 9.462 633 HB2 TYR 101 HB1 TYR 101 26.606 -4.989 8.135 634 HB3 TYR 101 HB2 TYR 101 27.359 -6.272 9.084 635 HD1 TYR 101 HD1 TYR 101 26.203 -6.751 11.013 636 HD2 TYR 101 HD2 TYR 101 26.482 -2.695 9.758 637 HE1 TYR 101 HE1 TYR 101 24.945 -6.052 13.009 638 HE2 TYR 101 HE2 TYR 101 25.227 -1.986 11.751 639 HH TYR 101 HH TYR 101 24.623 -4.068 14.380 640 H PHE 102 H PHE 102 28.912 -5.355 11.234 641 HA PHE 102 HA PHE 102 30.944 -7.310 10.557 642 HB2 PHE 102 HB1 PHE 102 32.589 -6.439 12.156 643 HB3 PHE 102 HB2 PHE 102 32.273 -5.279 10.865 644 HD1 PHE 102 HD1 PHE 102 31.932 -5.953 14.426 645 HD2 PHE 102 HD2 PHE 102 31.036 -3.223 11.285 646 HE1 PHE 102 HE1 PHE 102 31.398 -4.219 16.089 647 HE2 PHE 102 HE2 PHE 102 30.502 -1.485 12.942 648 HZ PHE 102 HZ PHE 102 30.684 -1.982 15.347 649 H GLN 103 H GLN 103 31.606 -8.582 12.514 650 HA GLN 103 HA GLN 103 30.056 -8.462 14.889 651 HB2 GLN 103 HB1 GLN 103 28.748 -10.511 14.600 652 HB3 GLN 103 HB2 GLN 103 28.291 -9.282 13.411 653 HG2 GLN 103 HG1 GLN 103 30.110 -10.568 11.953 654 HG3 GLN 103 HG2 GLN 103 29.625 -11.893 13.020 655 HE21 GLN 103 HE21 GLN 103 28.713 -13.013 11.284 656 HE22 GLN 103 HE22 GLN 103 27.199 -12.546 10.595 657 H SER 104 H SER 104 31.074 -9.542 16.475 658 HA SER 104 HA SER 104 33.044 -11.592 15.710 659 HB2 SER 104 HB1 SER 104 34.534 -10.731 17.510 660 HB3 SER 104 HB2 SER 104 34.269 -9.556 16.211 661 HG SER 104 HG SER 104 33.430 -9.491 18.857 662 H LEU 105 H LEU 105 32.764 -13.464 16.719 663 HA LEU 105 HA LEU 105 31.097 -13.513 19.142 664 HB2 LEU 105 HB1 LEU 105 31.198 -15.132 16.745 665 HB3 LEU 105 HB2 LEU 105 31.394 -16.123 18.200 666 HG LEU 105 HG LEU 105 29.246 -14.580 18.874 667 HD11 LEU 105 HD11 LEU 105 27.821 -15.077 16.689 668 HD12 LEU 105 HD12 LEU 105 29.382 -14.789 15.923 669 HD13 LEU 105 HD13 LEU 105 28.658 -13.546 16.942 670 HD21 LEU 105 HD21 LEU 105 29.675 -17.320 17.862 671 HD22 LEU 105 HD22 LEU 105 28.012 -16.734 17.862 672 HD23 LEU 105 HD23 LEU 105 28.937 -16.765 19.364 673 H GLU 106 H GLU 106 31.896 -14.259 21.014 674 HA GLU 106 HA GLU 106 34.693 -14.686 21.286 675 HB2 GLU 106 HB1 GLU 106 32.431 -14.272 23.010 676 HB3 GLU 106 HB2 GLU 106 33.383 -15.643 23.602 677 HG2 GLU 106 HG1 GLU 106 34.613 -14.104 24.646 678 HG3 GLU 106 HG2 GLU 106 35.332 -13.827 23.054 679 HE2 GLU 106 HE GLU 106 33.886 -10.736 24.554 680 H HIS 107 H HIS 107 35.860 -16.517 21.390 681 HA HIS 107 HA HIS 107 34.399 -19.075 21.286 682 HB2 HIS 107 HB1 HIS 107 36.526 -17.978 19.559 683 HB3 HIS 107 HB2 HIS 107 36.772 -19.652 20.070 684 HD1 HIS 107 HD1 HIS 107 33.854 -17.662 18.630 685 HD2 HIS 107 HD2 HIS 107 35.655 -21.395 18.347 686 HE1 HIS 107 HE1 HIS 107 32.548 -18.908 16.880 687 HE2 HIS 107 HE2 HIS 107 33.648 -21.191 16.707 688 H HIS 108 H HIS 108 35.925 -20.961 21.848 689 HA HIS 108 HA HIS 108 38.076 -20.406 23.657 690 HB2 HIS 108 HB1 HIS 108 37.050 -21.361 25.666 691 HB3 HIS 108 HB2 HIS 108 36.189 -19.912 25.138 692 HD1 HIS 108 HD1 HIS 108 35.811 -23.670 25.144 693 HD2 HIS 108 HD2 HIS 108 33.522 -20.249 24.576 694 HE1 HIS 108 HE1 HIS 108 33.428 -24.465 25.036 695 HE2 HIS 108 HE2 HIS 108 32.027 -22.375 24.688 696 H HIS 109 H HIS 109 39.187 -22.303 24.331 697 HA HIS 109 HA HIS 109 38.270 -24.828 23.163 698 HB2 HIS 109 HB1 HIS 109 40.652 -23.267 22.374 699 HB3 HIS 109 HB2 HIS 109 40.943 -24.986 22.658 700 HD1 HIS 109 HD1 HIS 109 40.754 -26.324 20.601 701 HD2 HIS 109 HD2 HIS 109 38.182 -23.062 20.545 702 HE1 HIS 109 HE1 HIS 109 39.567 -26.443 18.389 703 HE2 HIS 109 HE2 HIS 109 37.992 -24.450 18.353 704 H HIS 110 H HIS 110 39.070 -26.691 24.171 705 HA HIS 110 HA HIS 110 41.006 -26.589 26.263 706 HB2 HIS 110 HB1 HIS 110 38.235 -26.080 26.934 707 HB3 HIS 110 HB2 HIS 110 38.813 -27.548 27.729 708 HD1 HIS 110 HD1 HIS 110 41.425 -27.053 28.814 709 HD2 HIS 110 HD2 HIS 110 38.665 -23.959 28.556 710 HE1 HIS 110 HE1 HIS 110 42.189 -25.330 30.478 711 HE2 HIS 110 HE2 HIS 110 40.501 -23.438 30.321 712 H HIS 111 H HIS 111 41.868 -28.560 26.552 713 HA HIS 111 HA HIS 111 40.292 -30.932 25.877 714 HB2 HIS 111 HB1 HIS 111 42.958 -30.196 24.656 715 HB3 HIS 111 HB2 HIS 111 42.298 -31.833 24.616 716 HD1 HIS 111 HD1 HIS 111 42.489 -28.976 22.556 717 HD2 HIS 111 HD2 HIS 111 39.485 -31.712 23.420 718 HE1 HIS 111 HE1 HIS 111 40.846 -28.790 20.662 719 HE2 HIS 111 HE2 HIS 111 39.009 -30.461 21.189 720 H HIS 112 H HIS 112 40.286 -31.890 27.822 721 HA HIS 112 HA HIS 112 41.012 -32.917 29.719 722 HB2 HIS 112 HB1 HIS 112 43.569 -33.162 28.114 723 HB3 HIS 112 HB2 HIS 112 43.215 -34.051 29.599 724 HD1 HIS 112 HD1 HIS 112 43.776 -35.847 27.370 725 HD2 HIS 112 HD2 HIS 112 39.974 -34.273 27.939 726 HE1 HIS 112 HE1 HIS 112 42.216 -37.403 26.159 727 HE2 HIS 112 HE2 HIS 112 39.892 -36.444 26.506 Start of MODEL 3 1 H1 MET 18 H MET 18 -76.496 15.671 -6.045 2 HA MET 18 HA MET 18 -75.036 13.502 -5.954 3 HB2 MET 18 HB1 MET 18 -76.762 12.276 -7.242 4 HB3 MET 18 HB2 MET 18 -76.428 13.318 -8.632 5 HG2 MET 18 HG1 MET 18 -75.006 11.722 -9.271 6 HG3 MET 18 HG2 MET 18 -73.941 12.392 -8.034 7 HE1 MET 18 HE1 MET 18 -73.297 11.581 -6.101 8 HE2 MET 18 HE2 MET 18 -73.701 10.064 -5.298 9 HE3 MET 18 HE3 MET 18 -72.640 10.061 -6.708 10 H LEU 19 H LEU 19 -73.431 15.030 -5.840 11 HA LEU 19 HA LEU 19 -72.729 16.387 -8.359 12 HB2 LEU 19 HB1 LEU 19 -71.975 17.185 -5.542 13 HB3 LEU 19 HB2 LEU 19 -71.615 18.077 -7.030 14 HG LEU 19 HG LEU 19 -74.420 17.574 -6.055 15 HD11 LEU 19 HD11 LEU 19 -74.426 19.736 -5.068 16 HD12 LEU 19 HD12 LEU 19 -72.807 20.086 -5.671 17 HD13 LEU 19 HD13 LEU 19 -73.035 18.869 -4.416 18 HD21 LEU 19 HD21 LEU 19 -73.766 18.209 -8.507 19 HD22 LEU 19 HD22 LEU 19 -73.543 19.816 -7.817 20 HD23 LEU 19 HD23 LEU 19 -75.113 19.018 -7.705 21 H VAL 20 H VAL 20 -70.984 15.643 -9.350 22 HA VAL 20 HA VAL 20 -69.307 13.654 -8.253 23 HB VAL 20 HB VAL 20 -67.872 14.060 -10.260 24 HG11 VAL 20 HG11 VAL 20 -69.936 13.662 -11.891 25 HG12 VAL 20 HG12 VAL 20 -69.384 12.433 -10.750 26 HG13 VAL 20 HG13 VAL 20 -70.771 13.448 -10.352 27 HG21 VAL 20 HG21 VAL 20 -69.240 16.546 -10.249 28 HG22 VAL 20 HG22 VAL 20 -67.964 16.000 -11.338 29 HG23 VAL 20 HG23 VAL 20 -69.655 15.703 -11.742 30 H LEU 21 H LEU 21 -67.547 13.797 -7.023 31 HA LEU 21 HA LEU 21 -66.503 16.438 -6.368 32 HB2 LEU 21 HB1 LEU 21 -66.665 13.837 -5.053 33 HB3 LEU 21 HB2 LEU 21 -65.075 14.603 -4.888 34 HG LEU 21 HG LEU 21 -67.540 16.163 -4.232 35 HD11 LEU 21 HD11 LEU 21 -67.783 14.037 -3.043 36 HD12 LEU 21 HD12 LEU 21 -67.444 15.367 -1.937 37 HD13 LEU 21 HD13 LEU 21 -66.166 14.231 -2.369 38 HD21 LEU 21 HD21 LEU 21 -65.079 17.010 -4.358 39 HD22 LEU 21 HD22 LEU 21 -64.923 16.216 -2.790 40 HD23 LEU 21 HD23 LEU 21 -66.112 17.502 -3.014 41 H ASP 22 H ASP 22 -64.335 17.018 -6.559 42 HA ASP 22 HA ASP 22 -62.886 15.556 -8.636 43 HB2 ASP 22 HB1 ASP 22 -62.228 18.264 -7.451 44 HB3 ASP 22 HB2 ASP 22 -61.587 17.562 -8.940 45 HD2 ASP 22 HD ASP 22 -65.142 19.269 -9.041 46 H PHE 23 H PHE 23 -62.284 13.831 -7.166 47 HA PHE 23 HA PHE 23 -60.213 14.574 -5.219 48 HB2 PHE 23 HB1 PHE 23 -60.543 12.392 -4.215 49 HB3 PHE 23 HB2 PHE 23 -62.099 13.208 -4.377 50 HD1 PHE 23 HD1 PHE 23 -60.092 10.377 -5.429 51 HD2 PHE 23 HD2 PHE 23 -63.724 12.502 -6.076 52 HE1 PHE 23 HE1 PHE 23 -61.000 8.445 -6.653 53 HE2 PHE 23 HE2 PHE 23 -64.638 10.573 -7.299 54 HZ PHE 23 HZ PHE 23 -63.276 8.541 -7.588 55 H ASN 24 H ASN 24 -58.191 13.564 -5.229 56 HA ASN 24 HA ASN 24 -57.538 11.846 -7.502 57 HB2 ASN 24 HB1 ASN 24 -56.878 14.621 -7.374 58 HB3 ASN 24 HB2 ASN 24 -55.384 13.691 -7.198 59 HD21 ASN 24 HD21 ASN 24 -54.409 13.090 -8.986 60 HD22 ASN 24 HD22 ASN 24 -55.140 12.950 -10.546 61 H ASN 25 H ASN 25 -55.207 11.057 -7.309 62 HA ASN 25 HA ASN 25 -54.846 10.079 -4.611 63 HB2 ASN 25 HB1 ASN 25 -53.095 9.527 -7.015 64 HB3 ASN 25 HB2 ASN 25 -53.248 8.558 -5.545 65 HD21 ASN 25 HD21 ASN 25 -54.214 8.852 -8.696 66 HD22 ASN 25 HD22 ASN 25 -55.602 7.824 -8.658 67 H ILE 26 H ILE 26 -53.342 12.361 -6.777 68 HA ILE 26 HA ILE 26 -51.177 12.815 -4.843 69 HB ILE 26 HB ILE 26 -50.158 14.202 -6.669 70 HG12 ILE 26 HG11 ILE 26 -52.248 12.865 -8.403 71 HG13 ILE 26 HG12 ILE 26 -52.334 14.556 -7.881 72 HG21 ILE 26 HG21 ILE 26 -49.571 12.174 -8.091 73 HG22 ILE 26 HG22 ILE 26 -49.255 12.056 -6.360 74 HG23 ILE 26 HG23 ILE 26 -50.672 11.268 -7.054 75 HD11 ILE 26 HD11 ILE 26 -51.384 14.849 -9.920 76 HD12 ILE 26 HD12 ILE 26 -49.923 14.643 -8.954 77 HD13 ILE 26 HD13 ILE 26 -50.561 13.289 -9.886 78 H ARG 27 H ARG 27 -50.485 15.176 -4.688 79 HA ARG 27 HA ARG 27 -52.802 16.980 -4.726 80 HB2 ARG 27 HB1 ARG 27 -50.948 16.431 -2.405 81 HB3 ARG 27 HB2 ARG 27 -51.950 17.888 -2.506 82 HG2 ARG 27 HG1 ARG 27 -53.784 15.912 -2.977 83 HG3 ARG 27 HG2 ARG 27 -52.687 15.151 -1.810 84 HD2 ARG 27 HD1 ARG 27 -54.122 16.182 -0.355 85 HD3 ARG 27 HD2 ARG 27 -52.935 17.473 -0.579 86 HE ARG 27 HE ARG 27 -54.560 18.729 -1.570 87 HH11 ARG 27 HH11 ARG 27 -55.529 15.386 -1.653 88 HH12 ARG 27 HH12 ARG 27 -57.102 15.722 -2.295 89 HH21 ARG 27 HH21 ARG 27 -56.630 19.185 -2.415 90 HH22 ARG 27 HH22 ARG 27 -57.727 17.884 -2.728 91 H SER 28 H SER 28 -52.309 19.196 -4.914 92 HA SER 28 HA SER 28 -50.127 19.812 -6.557 93 HB2 SER 28 HB1 SER 28 -52.318 21.281 -5.257 94 HB3 SER 28 HB2 SER 28 -50.850 22.246 -5.499 95 HG SER 28 HG SER 28 -52.648 21.331 -7.338 96 H SER 29 H SER 29 -48.121 19.403 -5.792 97 HA SER 29 HA SER 29 -47.087 21.173 -3.756 98 HB2 SER 29 HB1 SER 29 -47.814 18.461 -3.106 99 HB3 SER 29 HB2 SER 29 -46.059 18.660 -2.970 100 HG SER 29 HG SER 29 -47.391 19.213 -1.059 101 H ALA 30 H ALA 30 -44.661 20.714 -3.436 102 HA ALA 30 HA ALA 30 -43.483 20.552 -6.074 103 HB1 ALA 30 HB1 ALA 30 -41.779 21.761 -5.236 104 HB2 ALA 30 HB2 ALA 30 -42.919 22.092 -3.931 105 HB3 ALA 30 HB3 ALA 30 -41.707 20.824 -3.743 106 H ASP 31 H ASP 31 -41.106 19.478 -5.908 107 HA ASP 31 HA ASP 31 -41.211 16.902 -4.565 108 HB2 ASP 31 HB1 ASP 31 -42.314 16.844 -6.952 109 HB3 ASP 31 HB2 ASP 31 -40.633 16.850 -7.503 110 HD2 ASP 31 HD ASP 31 -40.390 13.502 -6.919 111 H LEU 32 H LEU 32 -39.264 16.394 -3.807 112 HA LEU 32 HA LEU 32 -36.945 17.855 -4.856 113 HB2 LEU 32 HB1 LEU 32 -35.852 17.338 -2.742 114 HB3 LEU 32 HB2 LEU 32 -37.404 18.154 -2.486 115 HG LEU 32 HG LEU 32 -38.270 15.674 -2.198 116 HD11 LEU 32 HD11 LEU 32 -36.217 14.679 -0.756 117 HD12 LEU 32 HD12 LEU 32 -35.339 15.457 -2.072 118 HD13 LEU 32 HD13 LEU 32 -36.558 14.233 -2.428 119 HD21 LEU 32 HD21 LEU 32 -38.390 17.465 -0.527 120 HD22 LEU 32 HD22 LEU 32 -36.719 17.140 -0.064 121 HD23 LEU 32 HD23 LEU 32 -37.962 15.917 0.202 122 H HIS 33 H HIS 33 -34.984 16.778 -5.283 123 HA HIS 33 HA HIS 33 -34.543 14.028 -5.006 124 HB2 HIS 33 HB1 HIS 33 -36.359 14.604 -7.072 125 HB3 HIS 33 HB2 HIS 33 -34.823 14.263 -7.877 126 HD1 HIS 33 HD1 HIS 33 -33.746 11.883 -7.409 127 HD2 HIS 33 HD2 HIS 33 -37.650 12.376 -6.075 128 HE1 HIS 33 HE1 HIS 33 -34.605 9.560 -6.969 129 HE2 HIS 33 HE2 HIS 33 -36.992 9.860 -6.155 130 H GLY 34 H GLY 34 -32.406 14.057 -4.823 131 HA2 GLY 34 HA2 GLY 34 -30.703 14.821 -6.955 132 HA3 GLY 34 HA3 GLY 34 -30.710 16.072 -5.720 133 HA1 GLY 34 HA1 GLY 34 -30.945 14.108 -6.499 134 H ALA 35 H ALA 35 -28.744 13.909 -6.736 135 HA ALA 35 HA ALA 35 -28.169 12.590 -4.183 136 HB1 ALA 35 HB1 ALA 35 -27.932 11.795 -6.892 137 HB2 ALA 35 HB2 ALA 35 -26.309 11.842 -6.200 138 HB3 ALA 35 HB3 ALA 35 -27.564 10.865 -5.439 139 H ARG 36 H ARG 36 -25.686 12.330 -3.814 140 HA ARG 36 HA ARG 36 -24.259 14.814 -4.419 141 HB2 ARG 36 HB1 ARG 36 -25.098 13.843 -1.729 142 HB3 ARG 36 HB2 ARG 36 -23.491 14.571 -1.876 143 HG2 ARG 36 HG1 ARG 36 -25.437 16.207 -3.225 144 HG3 ARG 36 HG2 ARG 36 -25.936 15.887 -1.555 145 HD2 ARG 36 HD1 ARG 36 -23.094 16.649 -2.056 146 HD3 ARG 36 HD2 ARG 36 -24.336 17.902 -2.163 147 HE ARG 36 HE ARG 36 -23.385 16.614 0.219 148 HH11 ARG 36 HH11 ARG 36 -26.059 18.297 -1.242 149 HH12 ARG 36 HH12 ARG 36 -26.709 18.844 0.267 150 HH21 ARG 36 HH21 ARG 36 -24.232 17.328 2.213 151 HH22 ARG 36 HH22 ARG 36 -25.668 18.293 2.232 152 H LYS 37 H LYS 37 -22.244 14.416 -5.044 153 HA LYS 37 HA LYS 37 -21.170 11.731 -4.738 154 HB2 LYS 37 HB1 LYS 37 -20.651 14.063 -6.496 155 HB3 LYS 37 HB2 LYS 37 -19.256 13.036 -6.120 156 HG2 LYS 37 HG1 LYS 37 -21.125 11.165 -6.765 157 HG3 LYS 37 HG2 LYS 37 -21.577 12.510 -7.827 158 HD2 LYS 37 HD1 LYS 37 -20.025 11.605 -9.200 159 HD3 LYS 37 HD2 LYS 37 -18.905 12.523 -8.177 160 HE2 LYS 37 HE1 LYS 37 -18.043 10.673 -7.213 161 HE3 LYS 37 HE2 LYS 37 -19.618 9.869 -7.141 162 HZ1 LYS 37 HZ1 LYS 37 -19.429 9.177 -9.373 163 HZ2 LYS 37 HZ2 LYS 37 -17.939 8.825 -8.654 164 HZ3 LYS 37 HZ3 LYS 37 -18.093 10.174 -9.663 165 H GLY 38 H GLY 38 -20.026 11.258 -2.981 166 HA2 GLY 38 HA2 GLY 38 -18.886 13.243 -1.284 167 HA3 GLY 38 HA3 GLY 38 -18.673 11.504 -1.136 168 HA1 GLY 38 HA1 GLY 38 -18.731 13.377 -2.142 169 H SER 39 H SER 39 -16.469 12.088 -0.521 170 HA SER 39 HA SER 39 -14.748 13.145 -2.598 171 HB2 SER 39 HB1 SER 39 -12.950 12.540 -0.797 172 HB3 SER 39 HB2 SER 39 -14.057 13.893 -0.502 173 HG SER 39 HG SER 39 -13.767 12.261 1.241 174 H GLN 40 H GLN 40 -13.067 12.027 -3.607 175 HA GLN 40 HA GLN 40 -13.604 9.406 -4.403 176 HB2 GLN 40 HB1 GLN 40 -11.415 11.348 -4.758 177 HB3 GLN 40 HB2 GLN 40 -10.937 9.649 -4.917 178 HG2 GLN 40 HG1 GLN 40 -13.355 10.601 -6.382 179 HG3 GLN 40 HG2 GLN 40 -11.750 11.029 -6.990 180 HE21 GLN 40 HE21 GLN 40 -10.794 9.639 -8.294 181 HE22 GLN 40 HE22 GLN 40 -11.204 7.972 -8.476 182 H CYS 41 H CYS 41 -10.933 10.532 -2.319 183 HA CYS 41 HA CYS 41 -11.168 8.086 -0.747 184 HB2 CYS 41 HB1 CYS 41 -8.742 7.655 -0.869 185 HB3 CYS 41 HB2 CYS 41 -9.528 7.490 -2.439 186 H LEU 42 H LEU 42 -10.352 8.252 1.351 187 HA LEU 42 HA LEU 42 -9.768 11.007 2.200 188 HB2 LEU 42 HB1 LEU 42 -11.167 8.698 3.486 189 HB3 LEU 42 HB2 LEU 42 -10.370 9.908 4.507 190 HG LEU 42 HG LEU 42 -12.161 11.033 2.472 191 HD11 LEU 42 HD11 LEU 42 -13.305 8.894 3.171 192 HD12 LEU 42 HD12 LEU 42 -14.208 10.381 3.454 193 HD13 LEU 42 HD13 LEU 42 -13.393 9.576 4.795 194 HD21 LEU 42 HD21 LEU 42 -11.071 12.341 4.246 195 HD22 LEU 42 HD22 LEU 42 -11.942 11.400 5.458 196 HD23 LEU 42 HD23 LEU 42 -12.830 12.431 4.336 197 H SER 43 H SER 43 -8.659 7.696 2.325 198 HA SER 43 HA SER 43 -6.049 8.615 3.217 199 HB2 SER 43 HB1 SER 43 -7.436 7.989 5.271 200 HB3 SER 43 HB2 SER 43 -7.366 6.322 4.673 201 HG SER 43 HG SER 43 -5.563 7.541 6.119 202 H ASP 44 H ASP 44 -4.536 6.582 3.344 203 HA ASP 44 HA ASP 44 -4.394 5.491 0.767 204 HB2 ASP 44 HB1 ASP 44 -2.581 4.098 1.624 205 HB3 ASP 44 HB2 ASP 44 -2.438 5.748 2.242 206 HD2 ASP 44 HD ASP 44 -3.288 2.860 4.819 207 H THR 45 H THR 45 -6.007 4.403 3.637 208 HA THR 45 HA THR 45 -6.293 1.673 2.948 209 HB THR 45 HB THR 45 -8.199 1.694 4.578 210 HG1 THR 45 HG1 THR 45 -8.692 3.604 5.617 211 HG21 THR 45 HG21 THR 45 -6.658 2.626 6.509 212 HG22 THR 45 HG22 THR 45 -5.454 2.659 5.220 213 HG23 THR 45 HG23 THR 45 -6.244 1.143 5.649 214 H ASP 46 H ASP 46 -7.976 4.556 1.995 215 HA ASP 46 HA ASP 46 -10.360 3.327 1.069 216 HB2 ASP 46 HB1 ASP 46 -9.761 5.858 1.532 217 HB3 ASP 46 HB2 ASP 46 -9.311 5.836 -0.178 218 HD2 ASP 46 HD ASP 46 -12.752 4.983 -0.946 219 H CYS 47 H CYS 47 -7.188 3.747 -0.281 220 HA CYS 47 HA CYS 47 -7.879 3.329 -3.006 221 HB2 CYS 47 HB1 CYS 47 -5.354 3.299 -1.405 222 HB3 CYS 47 HB2 CYS 47 -5.332 2.587 -3.020 223 H ASN 48 H ASN 48 -6.667 1.384 -4.154 224 HA ASN 48 HA ASN 48 -8.119 -0.917 -3.662 225 HB2 ASN 48 HB1 ASN 48 -5.902 -0.132 -5.370 226 HB3 ASN 48 HB2 ASN 48 -5.743 -1.811 -4.836 227 HD21 ASN 48 HD21 ASN 48 -6.656 -0.222 -7.370 228 HD22 ASN 48 HD22 ASN 48 -8.025 -1.135 -7.901 229 H THR 49 H THR 49 -4.591 -0.803 -3.204 230 HA THR 49 HA THR 49 -4.648 -1.684 -0.513 231 HB THR 49 HB THR 49 -5.384 -3.805 -1.343 232 HG1 THR 49 HG1 THR 49 -3.961 -4.701 -0.072 233 HG21 THR 49 HG21 THR 49 -4.247 -5.035 -3.089 234 HG22 THR 49 HG22 THR 49 -3.034 -3.763 -3.241 235 HG23 THR 49 HG23 THR 49 -4.706 -3.447 -3.702 236 H ARG 50 H ARG 50 -2.862 -1.644 -3.561 237 HA ARG 50 HA ARG 50 -0.390 -1.118 -2.052 238 HB2 ARG 50 HB1 ARG 50 0.811 -1.771 -4.107 239 HB3 ARG 50 HB2 ARG 50 -0.225 -3.066 -3.490 240 HG2 ARG 50 HG1 ARG 50 -1.736 -2.895 -5.228 241 HG3 ARG 50 HG2 ARG 50 -1.262 -1.227 -5.598 242 HD2 ARG 50 HD1 ARG 50 -0.084 -2.132 -7.285 243 HD3 ARG 50 HD2 ARG 50 1.074 -2.568 -6.020 244 HE ARG 50 HE ARG 50 0.485 -4.766 -6.275 245 HH11 ARG 50 HH11 ARG 50 -1.909 -2.752 -7.805 246 HH12 ARG 50 HH12 ARG 50 -2.741 -4.079 -8.544 247 HH21 ARG 50 HH21 ARG 50 -0.604 -6.521 -7.243 248 HH22 ARG 50 HH22 ARG 50 -1.999 -6.223 -8.223 249 H LYS 51 H LYS 51 -2.383 0.894 -2.514 250 HA LYS 51 HA LYS 51 -0.731 2.807 -3.984 251 HB2 LYS 51 HB1 LYS 51 -3.692 2.384 -4.447 252 HB3 LYS 51 HB2 LYS 51 -2.769 3.764 -5.060 253 HG2 LYS 51 HG1 LYS 51 -1.570 2.467 -6.576 254 HG3 LYS 51 HG2 LYS 51 -1.943 0.963 -5.715 255 HD2 LYS 51 HD1 LYS 51 -3.981 0.733 -6.692 256 HD3 LYS 51 HD2 LYS 51 -4.258 2.481 -6.756 257 HE2 LYS 51 HE1 LYS 51 -2.307 2.407 -8.532 258 HE3 LYS 51 HE2 LYS 51 -2.814 0.718 -8.678 259 HZ1 LYS 51 HZ1 LYS 51 -4.888 2.782 -8.769 260 HZ2 LYS 51 HZ2 LYS 51 -4.816 1.290 -9.562 261 HZ3 LYS 51 HZ3 LYS 51 -3.899 2.594 -10.128 262 H PHE 52 H PHE 52 -1.025 4.985 -3.353 263 HA PHE 52 HA PHE 52 -2.340 5.269 -0.737 264 HB2 PHE 52 HB1 PHE 52 -0.811 7.253 -0.455 265 HB3 PHE 52 HB2 PHE 52 0.001 5.688 -0.529 266 HD1 PHE 52 HD1 PHE 52 -0.784 8.713 -2.497 267 HD2 PHE 52 HD2 PHE 52 1.585 5.188 -2.195 268 HE1 PHE 52 HE1 PHE 52 0.639 9.515 -4.337 269 HE2 PHE 52 HE2 PHE 52 3.011 5.986 -4.034 270 HZ PHE 52 HZ PHE 52 2.540 8.152 -5.107 271 H CYS 53 H CYS 53 -3.487 7.206 -0.267 272 HA CYS 53 HA CYS 53 -4.896 8.252 -2.576 273 HB2 CYS 53 HB1 CYS 53 -6.225 7.604 -0.669 274 HB3 CYS 53 HB2 CYS 53 -5.286 8.652 0.394 275 H LEU 54 H LEU 54 -3.575 9.669 -3.635 276 HA LEU 54 HA LEU 54 -2.097 11.698 -2.218 277 HB2 LEU 54 HB1 LEU 54 -1.256 10.635 -4.287 278 HB3 LEU 54 HB2 LEU 54 -2.595 11.383 -5.176 279 HG LEU 54 HG LEU 54 -1.313 13.509 -3.903 280 HD11 LEU 54 HD11 LEU 54 0.535 11.730 -3.589 281 HD12 LEU 54 HD12 LEU 54 0.970 13.312 -4.234 282 HD13 LEU 54 HD13 LEU 54 0.800 11.934 -5.321 283 HD21 LEU 54 HD21 LEU 54 -2.306 12.997 -6.324 284 HD22 LEU 54 HD22 LEU 54 -0.589 12.844 -6.696 285 HD23 LEU 54 HD23 LEU 54 -1.213 14.345 -6.009 286 H GLN 55 H GLN 55 -2.642 13.781 -1.901 287 HA GLN 55 HA GLN 55 -5.083 14.792 -3.191 288 HB2 GLN 55 HB1 GLN 55 -5.540 15.994 -0.982 289 HB3 GLN 55 HB2 GLN 55 -5.864 14.253 -1.039 290 HG2 GLN 55 HG1 GLN 55 -4.405 13.820 0.579 291 HG3 GLN 55 HG2 GLN 55 -3.155 14.804 -0.193 292 HE21 GLN 55 HE21 GLN 55 -6.178 15.172 1.624 293 HE22 GLN 55 HE22 GLN 55 -5.657 16.534 2.549 294 HA PRO 56 HA PRO 56 -1.701 17.796 -3.908 295 HB2 PRO 56 HB1 PRO 56 -2.637 18.588 -6.357 296 HB3 PRO 56 HB2 PRO 56 -1.634 17.160 -6.114 297 HG2 PRO 56 HG1 PRO 56 -4.615 17.370 -6.362 298 HG3 PRO 56 HG2 PRO 56 -3.486 16.201 -7.143 299 HD2 PRO 56 HD1 PRO 56 -4.988 15.561 -4.974 300 HD3 PRO 56 HD2 PRO 56 -3.366 14.896 -5.247 301 H ARG 57 H ARG 57 -1.737 20.084 -3.986 302 HA ARG 57 HA ARG 57 -4.112 21.239 -2.817 303 HB2 ARG 57 HB1 ARG 57 -1.368 22.331 -3.446 304 HB3 ARG 57 HB2 ARG 57 -2.669 23.330 -2.781 305 HG2 ARG 57 HG1 ARG 57 -2.756 22.033 -0.774 306 HG3 ARG 57 HG2 ARG 57 -1.635 20.840 -1.449 307 HD2 ARG 57 HD1 ARG 57 -0.177 22.070 -0.172 308 HD3 ARG 57 HD2 ARG 57 -0.068 22.939 -1.709 309 HE ARG 57 HE ARG 57 -2.091 24.174 -0.320 310 HH11 ARG 57 HH11 ARG 57 1.288 23.526 0.205 311 HH12 ARG 57 HH12 ARG 57 1.543 24.938 1.174 312 HH21 ARG 57 HH21 ARG 57 -1.768 26.038 0.956 313 HH22 ARG 57 HH22 ARG 57 -0.197 26.366 1.602 314 H ASP 58 H ASP 58 -2.527 21.178 -5.905 315 HA ASP 58 HA ASP 58 -4.132 23.370 -6.947 316 HB2 ASP 58 HB1 ASP 58 -2.788 23.310 -8.867 317 HB3 ASP 58 HB2 ASP 58 -1.672 22.903 -7.555 318 HD2 ASP 58 HD ASP 58 -1.901 20.408 -10.441 319 H GLU 59 H GLU 59 -4.157 19.926 -6.816 320 HA GLU 59 HA GLU 59 -6.439 19.884 -8.681 321 HB2 GLU 59 HB1 GLU 59 -4.044 18.206 -8.519 322 HB3 GLU 59 HB2 GLU 59 -5.549 17.278 -8.570 323 HG2 GLU 59 HG1 GLU 59 -5.220 19.487 -10.532 324 HG3 GLU 59 HG2 GLU 59 -4.275 18.009 -10.765 325 HE2 GLU 59 HE GLU 59 -7.159 17.075 -12.482 326 H LYS 60 H LYS 60 -7.676 17.651 -8.258 327 HA LYS 60 HA LYS 60 -8.579 17.842 -5.498 328 HB2 LYS 60 HB1 LYS 60 -9.700 16.859 -8.058 329 HB3 LYS 60 HB2 LYS 60 -10.209 15.985 -6.601 330 HG2 LYS 60 HG1 LYS 60 -10.969 18.095 -5.599 331 HG3 LYS 60 HG2 LYS 60 -10.491 18.946 -7.079 332 HD2 LYS 60 HD1 LYS 60 -12.561 18.569 -7.832 333 HD3 LYS 60 HD2 LYS 60 -12.075 16.872 -8.002 334 HE2 LYS 60 HE1 LYS 60 -12.857 16.403 -5.725 335 HE3 LYS 60 HE2 LYS 60 -13.325 18.100 -5.545 336 HZ1 LYS 60 HZ1 LYS 60 -14.853 16.031 -6.580 337 HZ2 LYS 60 HZ2 LYS 60 -14.490 17.042 -7.886 338 HZ3 LYS 60 HZ3 LYS 60 -15.254 17.673 -6.516 339 HA PRO 61 HA PRO 61 -6.783 14.126 -4.009 340 HB2 PRO 61 HB1 PRO 61 -8.785 13.076 -2.461 341 HB3 PRO 61 HB2 PRO 61 -7.862 14.511 -2.017 342 HG2 PRO 61 HG1 PRO 61 -10.551 14.310 -3.329 343 HG3 PRO 61 HG2 PRO 61 -10.023 15.370 -1.970 344 HD2 PRO 61 HD1 PRO 61 -10.260 16.268 -4.521 345 HD3 PRO 61 HD2 PRO 61 -9.027 16.877 -3.402 346 H PHE 62 H PHE 62 -6.506 12.027 -4.585 347 HA PHE 62 HA PHE 62 -8.596 10.323 -5.469 348 HB2 PHE 62 HB1 PHE 62 -8.120 10.143 -7.804 349 HB3 PHE 62 HB2 PHE 62 -8.357 11.856 -7.449 350 HD1 PHE 62 HD1 PHE 62 -6.149 13.174 -6.831 351 HD2 PHE 62 HD2 PHE 62 -6.293 9.568 -9.088 352 HE1 PHE 62 HE1 PHE 62 -3.960 13.708 -7.819 353 HE2 PHE 62 HE2 PHE 62 -4.104 10.095 -10.078 354 HZ PHE 62 HZ PHE 62 -2.934 12.167 -9.444 355 H CYS 63 H CYS 63 -7.680 8.254 -6.424 356 HA CYS 63 HA CYS 63 -5.422 7.460 -4.804 357 HB2 CYS 63 HB1 CYS 63 -7.530 6.084 -5.153 358 HB3 CYS 63 HB2 CYS 63 -6.937 5.756 -6.782 359 H ALA 64 H ALA 64 -3.401 7.658 -5.478 360 HA ALA 64 HA ALA 64 -2.856 7.586 -8.370 361 HB1 ALA 64 HB1 ALA 64 -1.617 9.396 -8.053 362 HB2 ALA 64 HB2 ALA 64 -2.028 9.377 -6.337 363 HB3 ALA 64 HB3 ALA 64 -0.600 8.516 -6.912 364 H THR 65 H THR 65 -1.252 6.273 -9.194 365 HA THR 65 HA THR 65 -0.755 3.847 -7.815 366 HB THR 65 HB THR 65 0.992 4.546 -10.108 367 HG1 THR 65 HG1 THR 65 -1.823 4.185 -10.396 368 HG21 THR 65 HG21 THR 65 0.262 2.234 -8.819 369 HG22 THR 65 HG22 THR 65 0.987 2.323 -10.425 370 HG23 THR 65 HG23 THR 65 -0.764 2.214 -10.252 371 H CYS 66 H CYS 66 1.345 2.936 -7.308 372 HA CYS 66 HA CYS 66 2.882 4.587 -5.642 373 HB2 CYS 66 HB1 CYS 66 2.612 1.929 -5.878 374 HB3 CYS 66 HB2 CYS 66 4.133 2.127 -6.752 375 H ARG 67 H ARG 67 5.248 4.955 -5.837 376 HA ARG 67 HA ARG 67 5.894 5.816 -8.574 377 HB2 ARG 67 HB1 ARG 67 6.308 6.974 -5.908 378 HB3 ARG 67 HB2 ARG 67 7.743 7.029 -6.942 379 HG2 ARG 67 HG1 ARG 67 6.707 9.050 -7.395 380 HG3 ARG 67 HG2 ARG 67 6.162 8.010 -8.722 381 HD2 ARG 67 HD1 ARG 67 4.008 7.943 -7.990 382 HD3 ARG 67 HD2 ARG 67 4.485 8.028 -6.288 383 HE ARG 67 HE ARG 67 5.099 10.495 -7.272 384 HH11 ARG 67 HH11 ARG 67 2.226 8.531 -7.185 385 HH12 ARG 67 HH12 ARG 67 1.145 9.884 -7.141 386 HH21 ARG 67 HH21 ARG 67 3.686 12.284 -7.213 387 HH22 ARG 67 HH22 ARG 67 1.977 12.019 -7.156 388 H GLY 68 H GLY 68 7.690 5.100 -9.595 389 HA2 GLY 68 HA2 GLY 68 8.944 2.731 -8.690 390 HA3 GLY 68 HA3 GLY 68 9.443 3.695 -10.073 391 HA1 GLY 68 HA1 GLY 68 8.865 3.340 -8.058 392 H LEU 69 H LEU 69 11.611 3.037 -9.335 393 HA LEU 69 HA LEU 69 12.638 4.067 -6.875 394 HB2 LEU 69 HB1 LEU 69 14.018 3.004 -9.345 395 HB3 LEU 69 HB2 LEU 69 14.847 3.440 -7.840 396 HG LEU 69 HG LEU 69 12.848 1.211 -8.217 397 HD11 LEU 69 HD11 LEU 69 14.899 -0.109 -7.424 398 HD12 LEU 69 HD12 LEU 69 15.823 1.327 -7.868 399 HD13 LEU 69 HD13 LEU 69 14.878 0.473 -9.089 400 HD21 LEU 69 HD21 LEU 69 12.422 1.397 -6.044 401 HD22 LEU 69 HD22 LEU 69 13.639 2.659 -5.849 402 HD23 LEU 69 HD23 LEU 69 14.104 0.961 -5.742 403 H ARG 70 H ARG 70 13.299 4.916 -10.279 404 HA ARG 70 HA ARG 70 14.862 7.150 -9.841 405 HB2 ARG 70 HB1 ARG 70 12.929 6.476 -12.057 406 HB3 ARG 70 HB2 ARG 70 13.923 7.938 -12.087 407 HG2 ARG 70 HG1 ARG 70 15.551 6.765 -13.023 408 HG3 ARG 70 HG2 ARG 70 15.689 5.845 -11.515 409 HD2 ARG 70 HD1 ARG 70 14.004 4.252 -12.312 410 HD3 ARG 70 HD2 ARG 70 13.850 5.178 -13.811 411 HE ARG 70 HE ARG 70 15.872 3.274 -13.188 412 HH11 ARG 70 HH11 ARG 70 15.267 6.234 -14.919 413 HH12 ARG 70 HH12 ARG 70 16.528 5.966 -16.077 414 HH21 ARG 70 HH21 ARG 70 17.534 2.911 -14.707 415 HH22 ARG 70 HH22 ARG 70 17.816 4.075 -15.956 416 H ARG 71 H ARG 71 11.406 6.790 -9.580 417 HA ARG 71 HA ARG 71 10.590 9.448 -9.726 418 HB2 ARG 71 HB1 ARG 71 9.523 7.092 -8.172 419 HB3 ARG 71 HB2 ARG 71 8.724 8.672 -8.157 420 HG2 ARG 71 HG1 ARG 71 9.266 7.031 -10.634 421 HG3 ARG 71 HG2 ARG 71 7.720 7.116 -9.772 422 HD2 ARG 71 HD1 ARG 71 8.260 9.764 -10.138 423 HD3 ARG 71 HD2 ARG 71 8.977 9.050 -11.590 424 HE ARG 71 HE ARG 71 6.175 9.227 -10.944 425 HH11 ARG 71 HH11 ARG 71 8.601 7.589 -12.830 426 HH12 ARG 71 HH12 ARG 71 7.486 7.061 -14.045 427 HH21 ARG 71 HH21 ARG 71 4.697 8.536 -12.539 428 HH22 ARG 71 HH22 ARG 71 5.266 7.601 -13.880 429 H ARG 72 H ARG 72 10.303 11.072 -8.201 430 HA ARG 72 HA ARG 72 12.229 11.075 -6.057 431 HB2 ARG 72 HB1 ARG 72 10.184 13.186 -6.777 432 HB3 ARG 72 HB2 ARG 72 11.613 13.399 -5.756 433 HG2 ARG 72 HG1 ARG 72 12.414 12.362 -8.309 434 HG3 ARG 72 HG2 ARG 72 11.402 13.799 -8.524 435 HD2 ARG 72 HD1 ARG 72 12.989 14.646 -6.506 436 HD3 ARG 72 HD2 ARG 72 14.088 13.535 -7.335 437 HE ARG 72 HE ARG 72 14.285 15.065 -9.012 438 HH11 ARG 72 HH11 ARG 72 11.357 15.724 -7.248 439 HH12 ARG 72 HH12 ARG 72 11.003 17.178 -8.121 440 HH21 ARG 72 HH21 ARG 72 13.830 16.976 -10.170 441 HH22 ARG 72 HH22 ARG 72 12.410 17.889 -9.784 442 H CYS 73 H CYS 73 11.748 11.493 -3.845 443 HA CYS 73 HA CYS 73 9.004 11.185 -2.949 444 HB2 CYS 73 HB1 CYS 73 9.370 9.250 -1.599 445 HB3 CYS 73 HB2 CYS 73 9.916 8.860 -3.230 446 H GLN 74 H GLN 74 8.668 11.844 -0.802 447 HA GLN 74 HA GLN 74 10.957 13.258 0.397 448 HB2 GLN 74 HB1 GLN 74 8.122 14.022 -0.024 449 HB3 GLN 74 HB2 GLN 74 8.847 14.504 1.517 450 HG2 GLN 74 HG1 GLN 74 10.381 15.914 0.528 451 HG3 GLN 74 HG2 GLN 74 10.290 15.076 -1.028 452 HE21 GLN 74 HE21 GLN 74 9.728 16.675 -2.369 453 HE22 GLN 74 HE22 GLN 74 8.297 17.633 -2.223 454 H ARG 75 H ARG 75 8.348 11.033 0.903 455 HA ARG 75 HA ARG 75 9.235 10.681 3.690 456 HB2 ARG 75 HB1 ARG 75 6.757 11.564 2.954 457 HB3 ARG 75 HB2 ARG 75 6.493 9.817 3.062 458 HG2 ARG 75 HG1 ARG 75 7.889 10.321 5.365 459 HG3 ARG 75 HG2 ARG 75 6.906 11.782 5.178 460 HD2 ARG 75 HD1 ARG 75 4.913 10.651 5.390 461 HD3 ARG 75 HD2 ARG 75 5.599 9.139 4.781 462 HE ARG 75 HE ARG 75 6.129 8.563 6.926 463 HH11 ARG 75 HH11 ARG 75 5.566 11.995 6.790 464 HH12 ARG 75 HH12 ARG 75 5.671 12.212 8.506 465 HH21 ARG 75 HH21 ARG 75 6.269 8.835 9.186 466 HH22 ARG 75 HH22 ARG 75 6.072 10.414 9.868 467 H ASP 76 H ASP 76 9.600 8.623 4.385 468 HA ASP 76 HA ASP 76 10.221 6.637 2.520 469 HB2 ASP 76 HB1 ASP 76 11.104 6.855 4.884 470 HB3 ASP 76 HB2 ASP 76 9.578 6.146 5.429 471 HD2 ASP 76 HD ASP 76 11.504 3.248 5.139 472 H ALA 77 H ALA 77 7.248 7.389 4.146 473 HA ALA 77 HA ALA 77 5.979 4.868 3.633 474 HB1 ALA 77 HB1 ALA 77 5.447 6.811 5.381 475 HB2 ALA 77 HB2 ALA 77 4.330 7.281 4.099 476 HB3 ALA 77 HB3 ALA 77 4.222 5.674 4.818 477 H MET 78 H MET 78 6.152 7.990 2.025 478 HA MET 78 HA MET 78 4.074 7.722 0.201 479 HB2 MET 78 HB1 MET 78 6.583 9.279 0.358 480 HB3 MET 78 HB2 MET 78 5.918 9.067 -1.268 481 HG2 MET 78 HG1 MET 78 4.114 9.972 0.937 482 HG3 MET 78 HG2 MET 78 5.236 11.116 0.196 483 HE1 MET 78 HE1 MET 78 4.097 11.249 -3.502 484 HE2 MET 78 HE2 MET 78 5.109 11.976 -2.254 485 HE3 MET 78 HE3 MET 78 5.421 10.326 -2.791 486 H CYS 79 H CYS 79 7.280 6.317 0.199 487 HA CYS 79 HA CYS 79 6.916 5.237 -2.484 488 HB2 CYS 79 HB1 CYS 79 9.122 6.195 -1.398 489 HB3 CYS 79 HB2 CYS 79 9.258 4.558 -0.750 490 H CYS 80 H CYS 80 6.728 3.069 -2.959 491 HA CYS 80 HA CYS 80 5.260 1.444 -1.277 492 HB2 CYS 80 HB1 CYS 80 6.894 0.986 -3.729 493 HB3 CYS 80 HB2 CYS 80 6.381 -0.433 -2.814 494 HA PRO 81 HA PRO 81 7.979 -0.434 1.606 495 HB2 PRO 81 HB1 PRO 81 7.049 -3.009 1.708 496 HB3 PRO 81 HB2 PRO 81 6.179 -1.632 2.382 497 HG2 PRO 81 HG1 PRO 81 5.826 -2.994 -0.267 498 HG3 PRO 81 HG2 PRO 81 4.574 -2.469 0.920 499 HD2 PRO 81 HD1 PRO 81 5.154 -1.053 -1.322 500 HD3 PRO 81 HD2 PRO 81 4.668 -0.282 0.198 501 H GLY 82 H GLY 82 9.870 -1.609 1.782 502 HA2 GLY 82 HA2 GLY 82 11.352 -3.367 1.084 503 HA3 GLY 82 HA3 GLY 82 10.642 -3.274 -0.521 504 HA1 GLY 82 HA1 GLY 82 11.355 -2.524 1.336 505 H THR 83 H THR 83 10.793 -0.227 -0.193 506 HA THR 83 HA THR 83 13.649 0.005 -0.889 507 HB THR 83 HB THR 83 12.699 2.151 -2.123 508 HG1 THR 83 HG1 THR 83 10.501 0.336 -2.220 509 HG21 THR 83 HG21 THR 83 12.074 0.246 -4.011 510 HG22 THR 83 HG22 THR 83 13.159 -0.617 -2.921 511 HG23 THR 83 HG23 THR 83 13.685 0.883 -3.686 512 H LEU 84 H LEU 84 14.385 2.395 -0.723 513 HA LEU 84 HA LEU 84 13.295 3.590 1.736 514 HB2 LEU 84 HB1 LEU 84 15.689 2.296 1.620 515 HB3 LEU 84 HB2 LEU 84 16.169 3.963 1.259 516 HG LEU 84 HG LEU 84 15.009 4.651 3.385 517 HD11 LEU 84 HD11 LEU 84 13.594 3.074 4.148 518 HD12 LEU 84 HD12 LEU 84 15.038 2.471 4.959 519 HD13 LEU 84 HD13 LEU 84 14.516 1.747 3.439 520 HD21 LEU 84 HD21 LEU 84 17.436 4.418 3.227 521 HD22 LEU 84 HD22 LEU 84 17.302 2.705 3.626 522 HD23 LEU 84 HD23 LEU 84 16.847 3.927 4.816 523 H CYS 85 H CYS 85 13.838 5.891 2.002 524 HA CYS 85 HA CYS 85 13.806 7.242 -0.601 525 HB2 CYS 85 HB1 CYS 85 12.669 7.827 2.084 526 HB3 CYS 85 HB2 CYS 85 13.182 9.212 1.119 527 H VAL 86 H VAL 86 15.758 7.862 -1.260 528 HA VAL 86 HA VAL 86 17.474 9.297 0.648 529 HB VAL 86 HB VAL 86 18.441 7.275 -1.378 530 HG11 VAL 86 HG11 VAL 86 19.795 9.396 0.158 531 HG12 VAL 86 HG12 VAL 86 20.591 7.822 0.144 532 HG13 VAL 86 HG13 VAL 86 20.236 8.645 -1.375 533 HG21 VAL 86 HG21 VAL 86 18.687 7.169 1.621 534 HG22 VAL 86 HG22 VAL 86 17.383 6.383 0.729 535 HG23 VAL 86 HG23 VAL 86 19.057 5.897 0.457 536 H ASN 87 H ASN 87 18.433 11.113 -0.120 537 HA ASN 87 HA ASN 87 18.756 12.924 -1.461 538 HB2 ASN 87 HB1 ASN 87 20.139 11.008 -2.581 539 HB3 ASN 87 HB2 ASN 87 18.897 11.095 -3.836 540 HD21 ASN 87 HD21 ASN 87 21.521 12.763 -2.293 541 HD22 ASN 87 HD22 ASN 87 21.696 14.006 -3.480 542 H ASP 88 H ASP 88 16.039 12.082 -1.016 543 HA ASP 88 HA ASP 88 13.935 12.632 -1.680 544 HB2 ASP 88 HB1 ASP 88 15.124 14.261 -3.921 545 HB3 ASP 88 HB2 ASP 88 13.629 14.547 -3.021 546 HD2 ASP 88 HD ASP 88 16.500 16.601 -1.805 547 H VAL 89 H VAL 89 15.427 10.373 -2.898 548 HA VAL 89 HA VAL 89 13.612 9.942 -5.159 549 HB VAL 89 HB VAL 89 16.560 9.281 -5.245 550 HG11 VAL 89 HG11 VAL 89 15.535 7.615 -6.492 551 HG12 VAL 89 HG12 VAL 89 14.263 8.692 -7.072 552 HG13 VAL 89 HG13 VAL 89 15.903 8.840 -7.705 553 HG21 VAL 89 HG21 VAL 89 16.634 11.507 -5.712 554 HG22 VAL 89 HG22 VAL 89 16.228 10.912 -7.322 555 HG23 VAL 89 HG23 VAL 89 14.964 11.559 -6.276 556 H CYS 90 H CYS 90 12.969 7.818 -5.470 557 HA CYS 90 HA CYS 90 13.075 6.140 -3.164 558 HB2 CYS 90 HB1 CYS 90 11.868 5.901 -5.907 559 HB3 CYS 90 HB2 CYS 90 11.903 4.506 -4.827 560 H THR 91 H THR 91 14.884 5.087 -2.657 561 HA THR 91 HA THR 91 16.412 3.793 -4.818 562 HB THR 91 HB THR 91 17.658 5.478 -3.468 563 HG1 THR 91 HG1 THR 91 19.430 3.991 -3.016 564 HG21 THR 91 HG21 THR 91 16.563 5.126 -1.315 565 HG22 THR 91 HG22 THR 91 18.305 4.891 -1.169 566 HG23 THR 91 HG23 THR 91 17.228 3.495 -1.229 567 H THR 92 H THR 92 17.584 1.769 -4.086 568 HA THR 92 HA THR 92 15.629 -0.041 -2.973 569 HB THR 92 HB THR 92 17.249 -1.814 -3.521 570 HG1 THR 92 HG1 THR 92 19.230 -1.273 -4.429 571 HG21 THR 92 HG21 THR 92 17.492 -1.076 -6.056 572 HG22 THR 92 HG22 THR 92 16.394 0.202 -5.536 573 HG23 THR 92 HG23 THR 92 15.926 -1.489 -5.361 574 H MET 93 H MET 93 15.841 -1.273 -1.114 575 HA MET 93 HA MET 93 17.029 -0.079 1.107 576 HB2 MET 93 HB1 MET 93 15.607 -2.568 0.519 577 HB3 MET 93 HB2 MET 93 16.792 -2.735 1.824 578 HG2 MET 93 HG1 MET 93 15.755 -0.982 3.094 579 HG3 MET 93 HG2 MET 93 14.671 -0.606 1.753 580 HE1 MET 93 HE1 MET 93 13.765 -1.313 4.894 581 HE2 MET 93 HE2 MET 93 13.561 -3.041 5.188 582 HE3 MET 93 HE3 MET 93 15.176 -2.372 4.947 583 H GLU 94 H GLU 94 18.242 -2.514 -1.108 584 HA GLU 94 HA GLU 94 20.480 -3.313 0.429 585 HB2 GLU 94 HB1 GLU 94 19.705 -3.521 -2.460 586 HB3 GLU 94 HB2 GLU 94 21.355 -3.935 -1.965 587 HG2 GLU 94 HG1 GLU 94 20.696 -5.946 -1.334 588 HG3 GLU 94 HG2 GLU 94 19.558 -5.221 -0.188 589 HE2 GLU 94 HE GLU 94 17.011 -6.521 -2.063 590 H ASP 95 H ASP 95 19.897 -0.662 -1.768 591 HA ASP 95 HA ASP 95 22.680 0.079 -1.953 592 HB2 ASP 95 HB1 ASP 95 20.101 1.093 -3.042 593 HB3 ASP 95 HB2 ASP 95 21.425 2.255 -2.891 594 HD2 ASP 95 HD ASP 95 22.552 -0.766 -5.148 595 H ALA 96 H ALA 96 19.789 1.319 -0.313 596 HA ALA 96 HA ALA 96 21.182 3.469 0.962 597 HB1 ALA 96 HB1 ALA 96 19.156 4.078 1.857 598 HB2 ALA 96 HB2 ALA 96 18.637 3.190 0.425 599 HB3 ALA 96 HB3 ALA 96 18.596 2.412 2.007 600 H THR 97 H THR 97 22.770 2.975 2.349 601 HA THR 97 HA THR 97 22.084 1.381 4.696 602 HB THR 97 HB THR 97 24.432 0.315 4.527 603 HG1 THR 97 HG1 THR 97 25.324 0.232 2.522 604 HG21 THR 97 HG21 THR 97 22.505 -1.074 4.398 605 HG22 THR 97 HG22 THR 97 23.529 -1.511 3.029 606 HG23 THR 97 HG23 THR 97 22.112 -0.492 2.781 607 H GLU 98 H GLU 98 25.064 2.773 3.313 608 HA GLU 98 HA GLU 98 25.161 5.032 4.961 609 HB2 GLU 98 HB1 GLU 98 25.796 2.638 6.333 610 HB3 GLU 98 HB2 GLU 98 27.316 3.514 6.089 611 HG2 GLU 98 HG1 GLU 98 26.080 5.562 7.009 612 HG3 GLU 98 HG2 GLU 98 24.867 4.400 7.567 613 HE2 GLU 98 HE GLU 98 27.408 2.938 9.694 614 H ASN 99 H ASN 99 26.836 6.370 4.402 615 HA ASN 99 HA ASN 99 28.516 5.428 2.203 616 HB2 ASN 99 HB1 ASN 99 27.133 7.842 2.739 617 HB3 ASN 99 HB2 ASN 99 28.860 8.224 2.775 618 HD21 ASN 99 HD21 ASN 99 26.390 8.415 0.824 619 HD22 ASN 99 HD22 ASN 99 27.120 8.065 -0.703 620 H LEU 100 H LEU 100 28.781 7.055 5.340 621 HA LEU 100 HA LEU 100 31.653 7.101 5.267 622 HB2 LEU 100 HB1 LEU 100 29.536 7.857 7.233 623 HB3 LEU 100 HB2 LEU 100 31.192 7.607 7.814 624 HG LEU 100 HG LEU 100 30.524 9.525 5.593 625 HD11 LEU 100 HD11 LEU 100 31.149 10.800 8.086 626 HD12 LEU 100 HD12 LEU 100 29.733 9.766 8.268 627 HD13 LEU 100 HD13 LEU 100 29.752 11.024 7.032 628 HD21 LEU 100 HD21 LEU 100 32.909 8.538 6.219 629 HD22 LEU 100 HD22 LEU 100 32.835 9.818 7.430 630 HD23 LEU 100 HD23 LEU 100 32.689 10.213 5.717 631 H TYR 101 H TYR 101 33.070 5.905 6.584 632 HA TYR 101 HA TYR 101 32.164 3.783 8.262 633 HB2 TYR 101 HB1 TYR 101 31.761 2.889 5.926 634 HB3 TYR 101 HB2 TYR 101 33.511 2.924 5.699 635 HD1 TYR 101 HD1 TYR 101 31.020 1.609 8.160 636 HD2 TYR 101 HD2 TYR 101 34.709 1.001 6.129 637 HE1 TYR 101 HE1 TYR 101 31.221 -0.610 9.201 638 HE2 TYR 101 HE2 TYR 101 34.918 -1.222 7.163 639 HH TYR 101 HH TYR 101 33.126 -2.970 8.149 640 H PHE 102 H PHE 102 33.884 2.705 9.343 641 HA PHE 102 HA PHE 102 36.516 3.979 8.984 642 HB2 PHE 102 HB1 PHE 102 36.853 4.013 11.358 643 HB3 PHE 102 HB2 PHE 102 35.292 4.768 11.024 644 HD1 PHE 102 HD1 PHE 102 36.974 1.987 12.620 645 HD2 PHE 102 HD2 PHE 102 33.189 3.581 11.504 646 HE1 PHE 102 HE1 PHE 102 35.866 0.436 14.175 647 HE2 PHE 102 HE2 PHE 102 32.075 2.032 13.058 648 HZ PHE 102 HZ PHE 102 33.414 0.458 14.397 649 H GLN 103 H GLN 103 38.206 2.624 10.347 650 HA GLN 103 HA GLN 103 37.731 -0.230 10.251 651 HB2 GLN 103 HB1 GLN 103 38.541 0.776 7.923 652 HB3 GLN 103 HB2 GLN 103 40.122 0.656 8.712 653 HG2 GLN 103 HG1 GLN 103 40.230 -1.514 8.303 654 HG3 GLN 103 HG2 GLN 103 38.681 -1.777 9.118 655 HE21 GLN 103 HE21 GLN 103 39.924 -0.479 6.056 656 HE22 GLN 103 HE22 GLN 103 38.717 -1.207 5.060 657 H SER 104 H SER 104 38.966 -1.321 11.686 658 HA SER 104 HA SER 104 41.103 0.198 13.035 659 HB2 SER 104 HB1 SER 104 39.180 -1.835 14.209 660 HB3 SER 104 HB2 SER 104 40.535 -1.097 15.083 661 HG SER 104 HG SER 104 38.072 -0.101 14.619 662 H LEU 105 H LEU 105 43.016 -0.826 13.481 663 HA LEU 105 HA LEU 105 43.362 -3.469 12.237 664 HB2 LEU 105 HB1 LEU 105 44.926 -1.013 12.231 665 HB3 LEU 105 HB2 LEU 105 45.886 -2.429 12.694 666 HG LEU 105 HG LEU 105 45.994 -1.885 10.275 667 HD11 LEU 105 HD11 LEU 105 44.657 -4.534 10.770 668 HD12 LEU 105 HD12 LEU 105 46.326 -4.187 11.218 669 HD13 LEU 105 HD13 LEU 105 45.839 -4.131 9.525 670 HD21 LEU 105 HD21 LEU 105 43.367 -3.034 9.704 671 HD22 LEU 105 HD22 LEU 105 44.190 -1.657 8.970 672 HD23 LEU 105 HD23 LEU 105 43.303 -1.452 10.481 673 H GLU 106 H GLU 106 44.943 -4.919 13.247 674 HA GLU 106 HA GLU 106 44.804 -4.718 16.177 675 HB2 GLU 106 HB1 GLU 106 44.841 -7.015 14.258 676 HB3 GLU 106 HB2 GLU 106 45.467 -7.253 15.895 677 HG2 GLU 106 HG1 GLU 106 42.928 -5.899 15.991 678 HG3 GLU 106 HG2 GLU 106 42.807 -7.392 15.050 679 HE2 GLU 106 HE GLU 106 43.204 -9.373 17.848 680 H HIS 107 H HIS 107 46.625 -3.515 16.614 681 HA HIS 107 HA HIS 107 49.197 -4.692 15.788 682 HB2 HIS 107 HB1 HIS 107 50.198 -2.505 16.017 683 HB3 HIS 107 HB2 HIS 107 48.788 -2.386 14.962 684 HD1 HIS 107 HD1 HIS 107 50.263 -0.845 17.875 685 HD2 HIS 107 HD2 HIS 107 46.412 -1.353 16.397 686 HE1 HIS 107 HE1 HIS 107 48.849 0.850 19.082 687 HE2 HIS 107 HE2 HIS 107 46.497 0.541 18.178 688 H HIS 108 H HIS 108 47.240 -3.613 18.454 689 HA HIS 108 HA HIS 108 49.190 -3.524 20.468 690 HB2 HIS 108 HB1 HIS 108 46.229 -3.828 20.377 691 HB3 HIS 108 HB2 HIS 108 47.041 -4.267 21.884 692 HD1 HIS 108 HD1 HIS 108 46.257 -1.313 19.732 693 HD2 HIS 108 HD2 HIS 108 48.134 -2.145 23.345 694 HE1 HIS 108 HE1 HIS 108 46.583 0.916 20.850 695 HE2 HIS 108 HE2 HIS 108 47.730 0.409 23.058 696 H HIS 109 H HIS 109 47.573 -6.188 18.929 697 HA HIS 109 HA HIS 109 48.070 -8.166 20.886 698 HB2 HIS 109 HB1 HIS 109 46.758 -8.048 18.438 699 HB3 HIS 109 HB2 HIS 109 48.096 -9.164 18.146 700 HD1 HIS 109 HD1 HIS 109 45.127 -8.755 20.454 701 HD2 HIS 109 HD2 HIS 109 47.770 -11.686 19.158 702 HE1 HIS 109 HE1 HIS 109 44.230 -10.920 21.367 703 HE2 HIS 109 HE2 HIS 109 45.845 -12.713 20.575 704 H HIS 110 H HIS 110 49.907 -9.097 21.481 705 HA HIS 110 HA HIS 110 51.942 -9.916 19.722 706 HB2 HIS 110 HB1 HIS 110 52.080 -7.198 20.226 707 HB3 HIS 110 HB2 HIS 110 53.221 -7.882 21.388 708 HD1 HIS 110 HD1 HIS 110 55.494 -7.689 20.446 709 HD2 HIS 110 HD2 HIS 110 52.717 -8.779 17.554 710 HE1 HIS 110 HE1 HIS 110 56.821 -8.038 18.339 711 HE2 HIS 110 HE2 HIS 110 55.125 -8.704 16.570 712 H HIS 111 H HIS 111 53.473 -11.206 20.736 713 HA HIS 111 HA HIS 111 53.019 -11.635 23.614 714 HB2 HIS 111 HB1 HIS 111 53.625 -13.530 21.360 715 HB3 HIS 111 HB2 HIS 111 54.043 -13.962 23.021 716 HD1 HIS 111 HD1 HIS 111 52.046 -15.753 21.779 717 HD2 HIS 111 HD2 HIS 111 50.935 -12.242 23.704 718 HE1 HIS 111 HE1 HIS 111 49.635 -16.071 22.418 719 HE2 HIS 111 HE2 HIS 111 48.954 -13.927 23.596 720 H HIS 112 H HIS 112 54.910 -9.768 22.301 721 HA HIS 112 HA HIS 112 57.376 -10.811 23.522 722 HB2 HIS 112 HB1 HIS 112 57.125 -9.242 20.945 723 HB3 HIS 112 HB2 HIS 112 58.656 -9.564 21.765 724 HD1 HIS 112 HD1 HIS 112 59.168 -12.251 22.105 725 HD2 HIS 112 HD2 HIS 112 56.478 -11.164 19.131 726 HE1 HIS 112 HE1 HIS 112 59.027 -14.236 20.567 727 HE2 HIS 112 HE2 HIS 112 57.384 -13.572 18.748 Start of MODEL 4 1 H1 MET 18 H MET 18 -52.050 46.477 42.746 2 HA MET 18 HA MET 18 -49.628 46.879 42.119 3 HB2 MET 18 HB1 MET 18 -49.445 44.745 43.999 4 HB3 MET 18 HB2 MET 18 -48.832 44.162 42.445 5 HG2 MET 18 HG1 MET 18 -47.802 46.796 42.988 6 HG3 MET 18 HG2 MET 18 -47.484 45.708 44.343 7 HE1 MET 18 HE1 MET 18 -46.394 47.265 41.621 8 HE2 MET 18 HE2 MET 18 -44.742 46.664 41.761 9 HE3 MET 18 HE3 MET 18 -45.744 46.180 40.392 10 H LEU 19 H LEU 19 -49.755 46.857 39.981 11 HA LEU 19 HA LEU 19 -50.732 44.425 38.646 12 HB2 LEU 19 HB1 LEU 19 -52.241 46.645 38.797 13 HB3 LEU 19 HB2 LEU 19 -51.288 47.025 37.353 14 HG LEU 19 HG LEU 19 -53.359 46.058 36.658 15 HD11 LEU 19 HD11 LEU 19 -51.076 44.105 36.424 16 HD12 LEU 19 HD12 LEU 19 -51.480 45.415 35.315 17 HD13 LEU 19 HD13 LEU 19 -52.559 44.030 35.472 18 HD21 LEU 19 HD21 LEU 19 -53.090 43.394 37.709 19 HD22 LEU 19 HD22 LEU 19 -54.450 44.510 37.820 20 HD23 LEU 19 HD23 LEU 19 -53.157 44.572 39.018 21 H VAL 20 H VAL 20 -48.854 43.662 37.844 22 HA VAL 20 HA VAL 20 -46.971 45.478 36.556 23 HB VAL 20 HB VAL 20 -46.728 42.489 36.915 24 HG11 VAL 20 HG11 VAL 20 -44.774 44.653 36.167 25 HG12 VAL 20 HG12 VAL 20 -44.277 43.044 36.696 26 HG13 VAL 20 HG13 VAL 20 -45.238 43.234 35.228 27 HG21 VAL 20 HG21 VAL 20 -46.450 42.876 39.088 28 HG22 VAL 20 HG22 VAL 20 -44.993 43.781 38.679 29 HG23 VAL 20 HG23 VAL 20 -46.533 44.622 38.847 30 H LEU 21 H LEU 21 -46.880 45.783 34.431 31 HA LEU 21 HA LEU 21 -48.756 44.792 32.639 32 HB2 LEU 21 HB1 LEU 21 -45.973 45.749 31.958 33 HB3 LEU 21 HB2 LEU 21 -47.382 45.717 30.886 34 HG LEU 21 HG LEU 21 -48.234 47.288 32.985 35 HD11 LEU 21 HD11 LEU 21 -45.296 47.520 32.659 36 HD12 LEU 21 HD12 LEU 21 -46.303 47.766 34.085 37 HD13 LEU 21 HD13 LEU 21 -46.224 49.009 32.837 38 HD21 LEU 21 HD21 LEU 21 -48.315 49.002 31.397 39 HD22 LEU 21 HD22 LEU 21 -48.425 47.523 30.444 40 HD23 LEU 21 HD23 LEU 21 -46.898 48.399 30.538 41 H ASP 22 H ASP 22 -48.699 43.227 31.021 42 HA ASP 22 HA ASP 22 -46.881 41.001 31.576 43 HB2 ASP 22 HB1 ASP 22 -49.404 40.701 31.501 44 HB3 ASP 22 HB2 ASP 22 -49.290 40.976 29.757 45 HD2 ASP 22 HD ASP 22 -48.190 37.484 31.188 46 H PHE 23 H PHE 23 -45.064 42.036 30.543 47 HA PHE 23 HA PHE 23 -45.047 41.532 27.666 48 HB2 PHE 23 HB1 PHE 23 -45.521 43.987 28.111 49 HB3 PHE 23 HB2 PHE 23 -43.900 44.083 28.804 50 HD1 PHE 23 HD1 PHE 23 -45.403 42.614 25.715 51 HD2 PHE 23 HD2 PHE 23 -42.332 45.013 27.427 52 HE1 PHE 23 HE1 PHE 23 -44.447 42.982 23.478 53 HE2 PHE 23 HE2 PHE 23 -41.372 45.385 25.192 54 HZ PHE 23 HZ PHE 23 -42.430 44.370 23.214 55 H ASN 24 H ASN 24 -43.883 39.662 28.611 56 HA ASN 24 HA ASN 24 -41.040 40.323 28.998 57 HB2 ASN 24 HB1 ASN 24 -42.565 38.083 30.358 58 HB3 ASN 24 HB2 ASN 24 -40.841 38.427 30.544 59 HD21 ASN 24 HD21 ASN 24 -43.648 38.701 32.077 60 HD22 ASN 24 HD22 ASN 24 -43.367 40.123 33.017 61 H ASN 25 H ASN 25 -39.644 38.298 28.616 62 HA ASN 25 HA ASN 25 -38.831 36.769 27.142 63 HB2 ASN 25 HB1 ASN 25 -41.331 35.843 27.922 64 HB3 ASN 25 HB2 ASN 25 -41.380 35.746 26.158 65 HD21 ASN 25 HD21 ASN 25 -41.079 33.771 28.483 66 HD22 ASN 25 HD22 ASN 25 -39.783 32.750 27.972 67 H ILE 26 H ILE 26 -39.045 35.995 24.767 68 HA ILE 26 HA ILE 26 -40.455 37.556 22.893 69 HB ILE 26 HB ILE 26 -38.981 39.361 23.569 70 HG12 ILE 26 HG11 ILE 26 -37.812 38.447 20.964 71 HG13 ILE 26 HG12 ILE 26 -39.551 38.770 21.070 72 HG21 ILE 26 HG21 ILE 26 -36.623 39.248 23.535 73 HG22 ILE 26 HG22 ILE 26 -37.165 37.798 24.379 74 HG23 ILE 26 HG23 ILE 26 -36.635 37.695 22.700 75 HD11 ILE 26 HD11 ILE 26 -37.384 40.623 20.805 76 HD12 ILE 26 HD12 ILE 26 -39.122 40.904 20.695 77 HD13 ILE 26 HD13 ILE 26 -38.315 40.974 22.261 78 H ARG 27 H ARG 27 -37.595 35.628 23.592 79 HA ARG 27 HA ARG 27 -36.613 33.893 22.497 80 HB2 ARG 27 HB1 ARG 27 -39.160 33.790 20.868 81 HB3 ARG 27 HB2 ARG 27 -37.990 32.484 21.099 82 HG2 ARG 27 HG1 ARG 27 -38.532 32.479 23.524 83 HG3 ARG 27 HG2 ARG 27 -39.797 33.672 23.190 84 HD2 ARG 27 HD1 ARG 27 -41.204 32.013 22.715 85 HD3 ARG 27 HD2 ARG 27 -40.173 31.591 21.339 86 HE ARG 27 HE ARG 27 -38.974 30.417 23.507 87 HH11 ARG 27 HH11 ARG 27 -42.112 30.274 22.004 88 HH12 ARG 27 HH12 ARG 27 -42.406 28.633 22.472 89 HH21 ARG 27 HH21 ARG 27 -39.351 28.255 24.129 90 HH22 ARG 27 HH22 ARG 27 -40.835 27.486 23.682 91 H SER 28 H SER 28 -36.149 33.063 20.117 92 HA SER 28 HA SER 28 -36.088 35.187 18.152 93 HB2 SER 28 HB1 SER 28 -33.383 34.162 18.430 94 HB3 SER 28 HB2 SER 28 -33.953 35.841 18.384 95 HG SER 28 HG SER 28 -34.295 34.302 20.715 96 H SER 29 H SER 29 -35.162 34.456 16.084 97 HA SER 29 HA SER 29 -35.370 31.531 15.782 98 HB2 SER 29 HB1 SER 29 -36.122 32.181 13.369 99 HB3 SER 29 HB2 SER 29 -37.288 32.304 14.698 100 HG SER 29 HG SER 29 -36.434 34.234 13.075 101 H ALA 30 H ALA 30 -33.369 30.791 15.485 102 HA ALA 30 HA ALA 30 -31.675 32.158 13.498 103 HB1 ALA 30 HB1 ALA 30 -29.781 31.042 14.966 104 HB2 ALA 30 HB2 ALA 30 -30.449 32.625 15.364 105 HB3 ALA 30 HB3 ALA 30 -31.006 31.192 16.226 106 H ASP 31 H ASP 31 -30.202 30.788 12.327 107 HA ASP 31 HA ASP 31 -30.164 27.985 12.525 108 HB2 ASP 31 HB1 ASP 31 -32.578 28.742 11.573 109 HB3 ASP 31 HB2 ASP 31 -31.667 28.644 10.059 110 HD2 ASP 31 HD ASP 31 -31.099 25.153 10.658 111 H LEU 32 H LEU 32 -28.995 26.969 10.748 112 HA LEU 32 HA LEU 32 -27.744 28.737 8.812 113 HB2 LEU 32 HB1 LEU 32 -25.465 28.057 9.455 114 HB3 LEU 32 HB2 LEU 32 -26.287 29.007 10.705 115 HG LEU 32 HG LEU 32 -26.850 26.538 11.593 116 HD11 LEU 32 HD11 LEU 32 -24.071 25.965 10.943 117 HD12 LEU 32 HD12 LEU 32 -25.129 25.961 9.533 118 HD13 LEU 32 HD13 LEU 32 -25.487 24.913 10.905 119 HD21 LEU 32 HD21 LEU 32 -25.737 28.472 12.755 120 HD22 LEU 32 HD22 LEU 32 -24.203 27.867 12.131 121 HD23 LEU 32 HD23 LEU 32 -25.162 26.873 13.228 122 H HIS 33 H HIS 33 -26.112 27.404 7.458 123 HA HIS 33 HA HIS 33 -26.662 24.575 7.303 124 HB2 HIS 33 HB1 HIS 33 -28.586 25.658 6.109 125 HB3 HIS 33 HB2 HIS 33 -27.424 26.328 4.961 126 HD1 HIS 33 HD1 HIS 33 -26.885 22.847 6.163 127 HD2 HIS 33 HD2 HIS 33 -28.538 24.785 2.881 128 HE1 HIS 33 HE1 HIS 33 -27.203 21.064 4.418 129 HE2 HIS 33 HE2 HIS 33 -28.212 22.247 2.411 130 H GLY 34 H GLY 34 -24.591 23.939 7.259 131 HA2 GLY 34 HA2 GLY 34 -22.934 24.921 5.035 132 HA3 GLY 34 HA3 GLY 34 -22.276 24.926 6.665 133 HA1 GLY 34 HA1 GLY 34 -23.519 24.263 5.073 134 H ALA 35 H ALA 35 -21.955 23.350 3.941 135 HA ALA 35 HA ALA 35 -21.036 20.943 5.217 136 HB1 ALA 35 HB1 ALA 35 -22.414 19.516 3.555 137 HB2 ALA 35 HB2 ALA 35 -23.187 20.101 5.030 138 HB3 ALA 35 HB3 ALA 35 -23.483 20.918 3.496 139 H ARG 36 H ARG 36 -19.313 20.157 4.161 140 HA ARG 36 HA ARG 36 -19.005 20.614 1.303 141 HB2 ARG 36 HB1 ARG 36 -16.636 21.447 1.709 142 HB3 ARG 36 HB2 ARG 36 -17.946 22.583 2.062 143 HG2 ARG 36 HG1 ARG 36 -17.399 22.738 4.218 144 HG3 ARG 36 HG2 ARG 36 -17.196 20.984 4.372 145 HD2 ARG 36 HD1 ARG 36 -14.970 21.109 4.161 146 HD3 ARG 36 HD2 ARG 36 -15.097 22.197 2.773 147 HE ARG 36 HE ARG 36 -15.686 23.565 5.189 148 HH11 ARG 36 HH11 ARG 36 -13.055 22.294 3.296 149 HH12 ARG 36 HH12 ARG 36 -11.894 23.422 3.913 150 HH21 ARG 36 HH21 ARG 36 -14.166 25.056 6.010 151 HH22 ARG 36 HH22 ARG 36 -12.527 24.991 5.457 152 H LYS 37 H LYS 37 -19.512 18.208 2.175 153 HA LYS 37 HA LYS 37 -17.048 16.796 2.813 154 HB2 LYS 37 HB1 LYS 37 -19.617 16.382 3.589 155 HB3 LYS 37 HB2 LYS 37 -19.496 15.249 2.234 156 HG2 LYS 37 HG1 LYS 37 -17.238 14.586 3.467 157 HG3 LYS 37 HG2 LYS 37 -18.134 15.209 4.865 158 HD2 LYS 37 HD1 LYS 37 -19.661 13.521 4.830 159 HD3 LYS 37 HD2 LYS 37 -19.596 13.365 3.067 160 HE2 LYS 37 HE1 LYS 37 -18.619 11.381 3.858 161 HE3 LYS 37 HE2 LYS 37 -17.252 12.410 3.406 162 HZ1 LYS 37 HZ1 LYS 37 -16.483 12.168 5.453 163 HZ2 LYS 37 HZ2 LYS 37 -17.849 11.288 5.919 164 HZ3 LYS 37 HZ3 LYS 37 -17.840 12.974 6.062 165 H GLY 38 H GLY 38 -15.721 16.329 1.184 166 HA2 GLY 38 HA2 GLY 38 -16.883 15.153 -1.249 167 HA3 GLY 38 HA3 GLY 38 -15.745 16.485 -1.398 168 HA1 GLY 38 HA1 GLY 38 -16.636 14.783 -0.487 169 H SER 39 H SER 39 -13.749 15.882 -1.854 170 HA SER 39 HA SER 39 -11.833 14.665 -2.006 171 HB2 SER 39 HB1 SER 39 -12.885 14.028 0.701 172 HB3 SER 39 HB2 SER 39 -11.640 12.939 0.061 173 HG SER 39 HG SER 39 -11.333 15.751 0.037 174 H GLN 40 H GLN 40 -10.984 12.296 -2.013 175 HA GLN 40 HA GLN 40 -13.092 10.593 -3.169 176 HB2 GLN 40 HB1 GLN 40 -10.430 11.369 -4.135 177 HB3 GLN 40 HB2 GLN 40 -10.749 9.628 -4.220 178 HG2 GLN 40 HG1 GLN 40 -13.064 10.873 -5.202 179 HG3 GLN 40 HG2 GLN 40 -11.694 11.735 -5.918 180 HE21 GLN 40 HE21 GLN 40 -10.415 10.728 -7.404 181 HE22 GLN 40 HE22 GLN 40 -10.758 9.167 -8.057 182 H CYS 41 H CYS 41 -10.004 10.569 -1.421 183 HA CYS 41 HA CYS 41 -10.897 8.171 -0.001 184 HB2 CYS 41 HB1 CYS 41 -8.749 7.063 -0.272 185 HB3 CYS 41 HB2 CYS 41 -9.467 7.386 -1.851 186 H LEU 42 H LEU 42 -10.182 8.015 2.099 187 HA LEU 42 HA LEU 42 -9.028 10.450 3.203 188 HB2 LEU 42 HB1 LEU 42 -11.017 8.737 4.051 189 HB3 LEU 42 HB2 LEU 42 -9.635 8.294 5.070 190 HG LEU 42 HG LEU 42 -9.574 10.969 5.359 191 HD11 LEU 42 HD11 LEU 42 -12.493 10.578 5.538 192 HD12 LEU 42 HD12 LEU 42 -11.825 10.785 3.920 193 HD13 LEU 42 HD13 LEU 42 -11.559 12.023 5.148 194 HD21 LEU 42 HD21 LEU 42 -11.009 8.821 6.867 195 HD22 LEU 42 HD22 LEU 42 -11.069 10.495 7.421 196 HD23 LEU 42 HD23 LEU 42 -9.517 9.668 7.274 197 H SER 43 H SER 43 -8.243 7.075 2.739 198 HA SER 43 HA SER 43 -5.477 7.636 3.432 199 HB2 SER 43 HB1 SER 43 -7.164 6.447 5.326 200 HB3 SER 43 HB2 SER 43 -6.241 5.104 4.629 201 HG SER 43 HG SER 43 -5.419 6.901 6.399 202 H ASP 44 H ASP 44 -4.169 5.480 3.109 203 HA ASP 44 HA ASP 44 -4.512 4.733 0.401 204 HB2 ASP 44 HB1 ASP 44 -2.816 3.303 2.460 205 HB3 ASP 44 HB2 ASP 44 -2.586 3.332 0.706 206 HD2 ASP 44 HD ASP 44 -0.380 5.789 2.266 207 H THR 45 H THR 45 -5.591 3.368 3.403 208 HA THR 45 HA THR 45 -6.087 0.728 2.540 209 HB THR 45 HB THR 45 -8.048 1.356 4.459 210 HG1 THR 45 HG1 THR 45 -6.557 2.362 6.044 211 HG21 THR 45 HG21 THR 45 -6.239 0.246 5.983 212 HG22 THR 45 HG22 THR 45 -5.378 0.007 4.462 213 HG23 THR 45 HG23 THR 45 -6.985 -0.686 4.686 214 H ASP 46 H ASP 46 -7.797 3.705 2.074 215 HA ASP 46 HA ASP 46 -10.345 2.607 1.468 216 HB2 ASP 46 HB1 ASP 46 -9.631 5.070 2.019 217 HB3 ASP 46 HB2 ASP 46 -9.383 5.181 0.271 218 HD2 ASP 46 HD ASP 46 -12.807 6.113 0.915 219 H CYS 47 H CYS 47 -7.420 3.067 -0.353 220 HA CYS 47 HA CYS 47 -8.690 2.652 -2.915 221 HB2 CYS 47 HB1 CYS 47 -6.327 3.827 -2.093 222 HB3 CYS 47 HB2 CYS 47 -5.785 2.309 -2.812 223 H ASN 48 H ASN 48 -9.248 0.726 -3.661 224 HA ASN 48 HA ASN 48 -8.782 -1.699 -2.414 225 HB2 ASN 48 HB1 ASN 48 -10.554 -1.617 -3.969 226 HB3 ASN 48 HB2 ASN 48 -9.503 -1.009 -5.255 227 HD21 ASN 48 HD21 ASN 48 -9.522 -2.501 -6.785 228 HD22 ASN 48 HD22 ASN 48 -9.203 -4.183 -6.555 229 H THR 49 H THR 49 -7.307 -0.742 -5.518 230 HA THR 49 HA THR 49 -5.396 -2.742 -5.631 231 HB THR 49 HB THR 49 -4.444 -0.171 -6.679 232 HG1 THR 49 HG1 THR 49 -6.159 -0.088 -8.252 233 HG21 THR 49 HG21 THR 49 -3.467 -2.182 -7.491 234 HG22 THR 49 HG22 THR 49 -4.464 -1.546 -8.799 235 HG23 THR 49 HG23 THR 49 -5.045 -2.894 -7.822 236 H ARG 50 H ARG 50 -3.052 -2.595 -5.363 237 HA ARG 50 HA ARG 50 -2.385 -1.574 -2.763 238 HB2 ARG 50 HB1 ARG 50 -0.128 -2.536 -3.257 239 HB3 ARG 50 HB2 ARG 50 -1.461 -3.693 -3.394 240 HG2 ARG 50 HG1 ARG 50 -0.885 -4.183 -5.474 241 HG3 ARG 50 HG2 ARG 50 -1.031 -2.478 -5.938 242 HD2 ARG 50 HD1 ARG 50 1.208 -3.253 -6.436 243 HD3 ARG 50 HD2 ARG 50 1.261 -2.082 -5.112 244 HE ARG 50 HE ARG 50 1.119 -4.491 -3.852 245 HH11 ARG 50 HH11 ARG 50 3.223 -3.113 -6.258 246 HH12 ARG 50 HH12 ARG 50 4.607 -4.032 -5.762 247 HH21 ARG 50 HH21 ARG 50 2.933 -5.705 -3.189 248 HH22 ARG 50 HH22 ARG 50 4.439 -5.506 -4.017 249 H LYS 51 H LYS 51 -2.936 0.690 -3.606 250 HA LYS 51 HA LYS 51 -0.432 1.953 -4.501 251 HB2 LYS 51 HB1 LYS 51 -3.211 2.851 -5.299 252 HB3 LYS 51 HB2 LYS 51 -1.672 3.541 -5.841 253 HG2 LYS 51 HG1 LYS 51 -1.133 1.576 -7.090 254 HG3 LYS 51 HG2 LYS 51 -2.523 0.712 -6.410 255 HD2 LYS 51 HD1 LYS 51 -4.039 2.352 -7.489 256 HD3 LYS 51 HD2 LYS 51 -2.622 3.115 -8.235 257 HE2 LYS 51 HE1 LYS 51 -2.080 0.853 -9.247 258 HE3 LYS 51 HE2 LYS 51 -3.681 0.334 -8.699 259 HZ1 LYS 51 HZ1 LYS 51 -3.506 2.796 -10.272 260 HZ2 LYS 51 HZ2 LYS 51 -4.732 1.633 -10.222 261 HZ3 LYS 51 HZ3 LYS 51 -3.310 1.325 -11.084 262 H PHE 52 H PHE 52 -0.149 4.160 -3.799 263 HA PHE 52 HA PHE 52 -1.336 4.597 -1.168 264 HB2 PHE 52 HB1 PHE 52 0.452 6.185 -0.792 265 HB3 PHE 52 HB2 PHE 52 1.131 4.685 -1.427 266 HD1 PHE 52 HD1 PHE 52 2.066 4.562 -3.658 267 HD2 PHE 52 HD2 PHE 52 0.481 8.205 -2.130 268 HE1 PHE 52 HE1 PHE 52 3.181 5.802 -5.468 269 HE2 PHE 52 HE2 PHE 52 1.592 9.451 -3.937 270 HZ PHE 52 HZ PHE 52 2.944 8.250 -5.610 271 H CYS 53 H CYS 53 -2.488 6.404 -0.599 272 HA CYS 53 HA CYS 53 -3.723 7.847 -2.791 273 HB2 CYS 53 HB1 CYS 53 -4.333 7.315 0.049 274 HB3 CYS 53 HB2 CYS 53 -4.825 8.908 -0.532 275 H LEU 54 H LEU 54 -2.808 9.628 -3.554 276 HA LEU 54 HA LEU 54 -1.128 11.257 -1.794 277 HB2 LEU 54 HB1 LEU 54 -0.120 10.563 -3.886 278 HB3 LEU 54 HB2 LEU 54 -1.477 11.256 -4.789 279 HG LEU 54 HG LEU 54 -0.629 13.465 -3.527 280 HD11 LEU 54 HD11 LEU 54 2.043 12.642 -4.198 281 HD12 LEU 54 HD12 LEU 54 1.380 11.622 -2.922 282 HD13 LEU 54 HD13 LEU 54 1.432 13.373 -2.713 283 HD21 LEU 54 HD21 LEU 54 0.802 13.827 -5.628 284 HD22 LEU 54 HD22 LEU 54 -0.921 13.517 -5.840 285 HD23 LEU 54 HD23 LEU 54 0.247 12.224 -6.113 286 H GLN 55 H GLN 55 -1.557 13.364 -1.318 287 HA GLN 55 HA GLN 55 -4.049 14.501 -2.398 288 HB2 GLN 55 HB1 GLN 55 -3.035 14.775 0.440 289 HB3 GLN 55 HB2 GLN 55 -4.524 15.475 -0.213 290 HG2 GLN 55 HG1 GLN 55 -5.390 13.646 0.826 291 HG3 GLN 55 HG2 GLN 55 -5.073 12.969 -0.778 292 HE21 GLN 55 HE21 GLN 55 -5.301 11.158 1.068 293 HE22 GLN 55 HE22 GLN 55 -3.777 10.519 1.571 294 HA PRO 56 HA PRO 56 -0.683 17.466 -3.329 295 HB2 PRO 56 HB1 PRO 56 -1.829 18.366 -5.648 296 HB3 PRO 56 HB2 PRO 56 -0.839 16.911 -5.553 297 HG2 PRO 56 HG1 PRO 56 -3.825 17.185 -5.507 298 HG3 PRO 56 HG2 PRO 56 -2.802 16.026 -6.434 299 HD2 PRO 56 HD1 PRO 56 -4.104 15.333 -4.156 300 HD3 PRO 56 HD2 PRO 56 -2.532 14.651 -4.603 301 H ARG 57 H ARG 57 -0.651 19.721 -3.192 302 HA ARG 57 HA ARG 57 -2.937 20.882 -1.859 303 HB2 ARG 57 HB1 ARG 57 -0.216 22.007 -2.555 304 HB3 ARG 57 HB2 ARG 57 -1.447 22.871 -1.624 305 HG2 ARG 57 HG1 ARG 57 -1.234 21.480 0.224 306 HG3 ARG 57 HG2 ARG 57 -0.483 20.188 -0.727 307 HD2 ARG 57 HD1 ARG 57 1.595 21.128 -0.647 308 HD3 ARG 57 HD2 ARG 57 0.951 22.775 -0.621 309 HE ARG 57 HE ARG 57 1.547 21.113 1.648 310 HH11 ARG 57 HH11 ARG 57 -0.319 23.812 0.483 311 HH12 ARG 57 HH12 ARG 57 -0.515 24.520 2.051 312 HH21 ARG 57 HH21 ARG 57 1.295 22.036 3.718 313 HH22 ARG 57 HH22 ARG 57 0.404 23.511 3.891 314 H ASP 58 H ASP 58 -1.161 21.363 -4.881 315 HA ASP 58 HA ASP 58 -2.836 23.538 -5.732 316 HB2 ASP 58 HB1 ASP 58 -1.620 23.304 -7.894 317 HB3 ASP 58 HB2 ASP 58 -0.546 23.480 -6.499 318 HD2 ASP 58 HD ASP 58 0.906 20.422 -7.045 319 H GLU 59 H GLU 59 -2.919 20.099 -5.948 320 HA GLU 59 HA GLU 59 -5.193 20.279 -7.815 321 HB2 GLU 59 HB1 GLU 59 -2.812 18.702 -7.955 322 HB3 GLU 59 HB2 GLU 59 -4.195 17.619 -7.734 323 HG2 GLU 59 HG1 GLU 59 -5.278 18.456 -9.688 324 HG3 GLU 59 HG2 GLU 59 -4.081 19.750 -9.851 325 HE2 GLU 59 HE GLU 59 -3.072 16.107 -11.049 326 H LYS 60 H LYS 60 -6.445 17.995 -7.586 327 HA LYS 60 HA LYS 60 -7.425 18.020 -4.845 328 HB2 LYS 60 HB1 LYS 60 -8.476 17.203 -7.489 329 HB3 LYS 60 HB2 LYS 60 -9.021 16.235 -6.110 330 HG2 LYS 60 HG1 LYS 60 -10.462 17.799 -5.483 331 HG3 LYS 60 HG2 LYS 60 -9.189 19.034 -5.485 332 HD2 LYS 60 HD1 LYS 60 -9.466 19.338 -7.903 333 HD3 LYS 60 HD2 LYS 60 -10.734 18.099 -7.906 334 HE2 LYS 60 HE1 LYS 60 -11.001 20.438 -6.059 335 HE3 LYS 60 HE2 LYS 60 -11.342 20.653 -7.782 336 HZ1 LYS 60 HZ1 LYS 60 -13.357 20.096 -6.652 337 HZ2 LYS 60 HZ2 LYS 60 -12.658 18.726 -5.947 338 HZ3 LYS 60 HZ3 LYS 60 -12.919 18.778 -7.617 339 HA PRO 61 HA PRO 61 -5.672 14.216 -3.537 340 HB2 PRO 61 HB1 PRO 61 -7.715 13.078 -2.114 341 HB3 PRO 61 HB2 PRO 61 -6.804 14.481 -1.556 342 HG2 PRO 61 HG1 PRO 61 -9.458 14.368 -2.952 343 HG3 PRO 61 HG2 PRO 61 -8.964 15.340 -1.515 344 HD2 PRO 61 HD1 PRO 61 -9.132 16.394 -4.011 345 HD3 PRO 61 HD2 PRO 61 -7.930 16.930 -2.826 346 H PHE 62 H PHE 62 -5.330 12.222 -4.342 347 HA PHE 62 HA PHE 62 -7.459 10.628 -5.442 348 HB2 PHE 62 HB1 PHE 62 -6.291 10.409 -7.686 349 HB3 PHE 62 HB2 PHE 62 -7.141 11.927 -7.398 350 HD1 PHE 62 HD1 PHE 62 -6.082 13.885 -7.944 351 HD2 PHE 62 HD2 PHE 62 -3.733 10.487 -6.916 352 HE1 PHE 62 HE1 PHE 62 -4.034 15.156 -8.436 353 HE2 PHE 62 HE2 PHE 62 -1.681 11.754 -7.405 354 HZ PHE 62 HZ PHE 62 -1.829 14.091 -8.166 355 H CYS 63 H CYS 63 -6.324 8.651 -6.661 356 HA CYS 63 HA CYS 63 -4.359 7.633 -4.742 357 HB2 CYS 63 HB1 CYS 63 -6.662 6.514 -5.671 358 HB3 CYS 63 HB2 CYS 63 -5.477 5.798 -6.765 359 H ALA 64 H ALA 64 -2.293 7.447 -5.277 360 HA ALA 64 HA ALA 64 -1.558 7.616 -8.118 361 HB1 ALA 64 HB1 ALA 64 0.773 8.071 -6.971 362 HB2 ALA 64 HB2 ALA 64 -0.428 9.351 -7.154 363 HB3 ALA 64 HB3 ALA 64 -0.251 8.523 -5.607 364 H THR 65 H THR 65 -0.696 5.911 -9.106 365 HA THR 65 HA THR 65 -0.537 3.382 -7.957 366 HB THR 65 HB THR 65 1.304 3.865 -10.218 367 HG1 THR 65 HG1 THR 65 -1.501 4.173 -10.592 368 HG21 THR 65 HG21 THR 65 0.842 1.708 -10.523 369 HG22 THR 65 HG22 THR 65 -0.860 2.094 -10.778 370 HG23 THR 65 HG23 THR 65 -0.266 1.760 -9.153 371 H CYS 66 H CYS 66 1.522 2.015 -7.976 372 HA CYS 66 HA CYS 66 3.225 2.820 -5.959 373 HB2 CYS 66 HB1 CYS 66 2.896 0.481 -6.828 374 HB3 CYS 66 HB2 CYS 66 3.968 0.895 -8.168 375 H ARG 67 H ARG 67 5.386 3.536 -5.903 376 HA ARG 67 HA ARG 67 6.143 5.141 -8.244 377 HB2 ARG 67 HB1 ARG 67 6.978 5.370 -5.344 378 HB3 ARG 67 HB2 ARG 67 7.557 6.414 -6.651 379 HG2 ARG 67 HG1 ARG 67 4.691 6.383 -6.671 380 HG3 ARG 67 HG2 ARG 67 5.280 6.761 -5.044 381 HD2 ARG 67 HD1 ARG 67 5.379 8.873 -5.852 382 HD3 ARG 67 HD2 ARG 67 6.927 8.313 -6.500 383 HE ARG 67 HE ARG 67 5.058 7.682 -8.417 384 HH11 ARG 67 HH11 ARG 67 6.161 10.574 -6.822 385 HH12 ARG 67 HH12 ARG 67 5.823 11.604 -8.174 386 HH21 ARG 67 HH21 ARG 67 4.609 9.029 -10.203 387 HH22 ARG 67 HH22 ARG 67 4.940 10.724 -10.095 388 H GLY 68 H GLY 68 7.795 4.491 -9.452 389 HA2 GLY 68 HA2 GLY 68 9.355 2.207 -8.743 390 HA3 GLY 68 HA3 GLY 68 9.568 3.209 -10.170 391 HA1 GLY 68 HA1 GLY 68 9.286 2.808 -8.103 392 H LEU 69 H LEU 69 11.853 2.454 -9.325 393 HA LEU 69 HA LEU 69 12.998 3.839 -7.143 394 HB2 LEU 69 HB1 LEU 69 14.254 2.589 -9.592 395 HB3 LEU 69 HB2 LEU 69 15.166 3.219 -8.209 396 HG LEU 69 HG LEU 69 13.276 0.869 -8.210 397 HD11 LEU 69 HD11 LEU 69 15.069 -0.442 -8.403 398 HD12 LEU 69 HD12 LEU 69 16.002 0.515 -7.253 399 HD13 LEU 69 HD13 LEU 69 15.921 1.004 -8.946 400 HD21 LEU 69 HD21 LEU 69 13.048 2.106 -6.131 401 HD22 LEU 69 HD22 LEU 69 14.799 2.122 -5.926 402 HD23 LEU 69 HD23 LEU 69 13.917 0.596 -5.856 403 H ARG 70 H ARG 70 12.396 4.703 -10.447 404 HA ARG 70 HA ARG 70 14.187 6.974 -10.407 405 HB2 ARG 70 HB1 ARG 70 12.157 5.979 -12.411 406 HB3 ARG 70 HB2 ARG 70 13.094 7.464 -12.639 407 HG2 ARG 70 HG1 ARG 70 14.597 4.970 -12.032 408 HG3 ARG 70 HG2 ARG 70 13.873 5.143 -13.640 409 HD2 ARG 70 HD1 ARG 70 15.061 7.208 -14.028 410 HD3 ARG 70 HD2 ARG 70 15.667 7.203 -12.365 411 HE ARG 70 HE ARG 70 16.533 4.837 -13.490 412 HH11 ARG 70 HH11 ARG 70 16.923 8.241 -14.110 413 HH12 ARG 70 HH12 ARG 70 18.502 8.067 -14.801 414 HH21 ARG 70 HH21 ARG 70 18.611 4.595 -14.397 415 HH22 ARG 70 HH22 ARG 70 19.461 5.993 -14.964 416 H ARG 71 H ARG 71 10.854 6.300 -9.746 417 HA ARG 71 HA ARG 71 9.748 8.852 -10.084 418 HB2 ARG 71 HB1 ARG 71 8.991 6.335 -8.834 419 HB3 ARG 71 HB2 ARG 71 8.397 7.731 -7.923 420 HG2 ARG 71 HG1 ARG 71 6.754 6.928 -9.559 421 HG3 ARG 71 HG2 ARG 71 7.276 8.590 -9.886 422 HD2 ARG 71 HD1 ARG 71 8.567 7.965 -11.734 423 HD3 ARG 71 HD2 ARG 71 8.627 6.274 -11.221 424 HE ARG 71 HE ARG 71 5.978 6.746 -11.689 425 HH11 ARG 71 HH11 ARG 71 8.907 7.056 -13.545 426 HH12 ARG 71 HH12 ARG 71 8.132 6.747 -15.063 427 HH21 ARG 71 HH21 ARG 71 4.946 6.340 -13.682 428 HH22 ARG 71 HH22 ARG 71 5.879 6.340 -15.140 429 H ARG 72 H ARG 72 9.503 10.601 -8.738 430 HA ARG 72 HA ARG 72 11.505 10.892 -6.677 431 HB2 ARG 72 HB1 ARG 72 9.410 12.808 -7.730 432 HB3 ARG 72 HB2 ARG 72 10.660 13.229 -6.550 433 HG2 ARG 72 HG1 ARG 72 11.882 12.012 -8.843 434 HG3 ARG 72 HG2 ARG 72 10.828 13.343 -9.346 435 HD2 ARG 72 HD1 ARG 72 12.625 13.801 -7.013 436 HD3 ARG 72 HD2 ARG 72 13.351 13.740 -8.626 437 HE ARG 72 HE ARG 72 11.220 15.449 -8.870 438 HH11 ARG 72 HH11 ARG 72 14.083 15.289 -6.897 439 HH12 ARG 72 HH12 ARG 72 14.228 17.008 -6.739 440 HH21 ARG 72 HH21 ARG 72 11.400 17.714 -8.669 441 HH22 ARG 72 HH22 ARG 72 12.700 18.386 -7.746 442 H CYS 73 H CYS 73 11.016 11.686 -4.526 443 HA CYS 73 HA CYS 73 8.320 11.287 -3.530 444 HB2 CYS 73 HB1 CYS 73 9.026 9.698 -1.781 445 HB3 CYS 73 HB2 CYS 73 9.213 9.028 -3.403 446 H GLN 74 H GLN 74 8.073 11.991 -1.292 447 HA GLN 74 HA GLN 74 10.151 13.934 -0.523 448 HB2 GLN 74 HB1 GLN 74 7.146 14.082 -0.406 449 HB3 GLN 74 HB2 GLN 74 8.153 15.096 0.639 450 HG2 GLN 74 HG1 GLN 74 9.317 15.896 -1.465 451 HG3 GLN 74 HG2 GLN 74 8.013 15.100 -2.358 452 HE21 GLN 74 HE21 GLN 74 8.562 17.850 -2.459 453 HE22 GLN 74 HE22 GLN 74 7.208 18.696 -1.796 454 H ARG 75 H ARG 75 8.031 11.382 0.510 455 HA ARG 75 HA ARG 75 9.327 11.439 3.152 456 HB2 ARG 75 HB1 ARG 75 6.419 11.117 2.466 457 HB3 ARG 75 HB2 ARG 75 7.078 10.387 3.939 458 HG2 ARG 75 HG1 ARG 75 7.657 12.483 4.858 459 HG3 ARG 75 HG2 ARG 75 7.404 13.303 3.308 460 HD2 ARG 75 HD1 ARG 75 4.976 12.010 3.877 461 HD3 ARG 75 HD2 ARG 75 5.512 12.734 5.400 462 HE ARG 75 HE ARG 75 5.830 14.702 3.506 463 HH11 ARG 75 HH11 ARG 75 3.198 12.769 4.714 464 HH12 ARG 75 HH12 ARG 75 1.998 13.982 4.411 465 HH21 ARG 75 HH21 ARG 75 4.261 16.305 3.104 466 HH22 ARG 75 HH22 ARG 75 2.603 15.992 3.495 467 H ASP 76 H ASP 76 8.819 9.220 4.295 468 HA ASP 76 HA ASP 76 9.985 7.204 2.616 469 HB2 ASP 76 HB1 ASP 76 9.739 5.775 4.706 470 HB3 ASP 76 HB2 ASP 76 10.742 7.223 4.863 471 HD2 ASP 76 HD ASP 76 8.519 8.714 7.070 472 H ALA 77 H ALA 77 6.915 7.467 4.405 473 HA ALA 77 HA ALA 77 5.804 5.075 3.404 474 HB1 ALA 77 HB1 ALA 77 3.855 5.669 4.503 475 HB2 ALA 77 HB2 ALA 77 5.088 6.535 5.423 476 HB3 ALA 77 HB3 ALA 77 4.107 7.395 4.234 477 H MET 78 H MET 78 6.046 8.279 2.098 478 HA MET 78 HA MET 78 3.946 8.353 0.299 479 HB2 MET 78 HB1 MET 78 6.620 9.599 0.489 480 HB3 MET 78 HB2 MET 78 5.905 9.573 -1.130 481 HG2 MET 78 HG1 MET 78 4.426 10.618 1.277 482 HG3 MET 78 HG2 MET 78 5.466 11.628 0.270 483 HE1 MET 78 HE1 MET 78 3.900 12.676 -2.520 484 HE2 MET 78 HE2 MET 78 5.385 11.873 -2.009 485 HE3 MET 78 HE3 MET 78 4.281 11.063 -3.122 486 H CYS 79 H CYS 79 6.943 6.565 0.147 487 HA CYS 79 HA CYS 79 6.426 5.727 -2.599 488 HB2 CYS 79 HB1 CYS 79 8.748 5.910 -0.874 489 HB3 CYS 79 HB2 CYS 79 8.630 4.307 -1.605 490 H CYS 80 H CYS 80 6.878 3.300 -3.005 491 HA CYS 80 HA CYS 80 4.849 1.829 -1.677 492 HB2 CYS 80 HB1 CYS 80 6.777 1.365 -3.865 493 HB3 CYS 80 HB2 CYS 80 6.283 -0.083 -2.987 494 HA PRO 81 HA PRO 81 6.933 -0.125 1.651 495 HB2 PRO 81 HB1 PRO 81 5.892 -2.658 1.599 496 HB3 PRO 81 HB2 PRO 81 4.974 -1.239 2.101 497 HG2 PRO 81 HG1 PRO 81 5.039 -2.616 -0.562 498 HG3 PRO 81 HG2 PRO 81 3.620 -2.027 0.383 499 HD2 PRO 81 HD1 PRO 81 4.647 -0.662 -1.728 500 HD3 PRO 81 HD2 PRO 81 3.933 0.146 -0.322 501 H GLY 82 H GLY 82 8.995 -0.738 1.777 502 HA2 GLY 82 HA2 GLY 82 10.598 -2.552 1.576 503 HA3 GLY 82 HA3 GLY 82 9.928 -2.892 -0.012 504 HA1 GLY 82 HA1 GLY 82 10.533 -1.673 1.622 505 H THR 83 H THR 83 10.406 0.406 0.878 506 HA THR 83 HA THR 83 13.024 0.547 -0.385 507 HB THR 83 HB THR 83 11.934 2.598 -1.728 508 HG1 THR 83 HG1 THR 83 9.890 1.904 -2.533 509 HG21 THR 83 HG21 THR 83 12.554 1.411 -3.530 510 HG22 THR 83 HG22 THR 83 11.456 0.084 -3.147 511 HG23 THR 83 HG23 THR 83 13.038 0.174 -2.371 512 H LEU 84 H LEU 84 13.793 2.905 -0.419 513 HA LEU 84 HA LEU 84 12.720 4.387 1.881 514 HB2 LEU 84 HB1 LEU 84 15.355 3.175 1.566 515 HB3 LEU 84 HB2 LEU 84 15.429 4.909 1.927 516 HG LEU 84 HG LEU 84 14.037 2.822 3.603 517 HD11 LEU 84 HD11 LEU 84 16.578 4.362 4.109 518 HD12 LEU 84 HD12 LEU 84 16.482 2.657 3.668 519 HD13 LEU 84 HD13 LEU 84 15.817 3.209 5.205 520 HD21 LEU 84 HD21 LEU 84 14.463 5.189 5.039 521 HD22 LEU 84 HD22 LEU 84 12.922 4.517 4.502 522 HD23 LEU 84 HD23 LEU 84 13.780 5.679 3.489 523 H CYS 85 H CYS 85 12.658 6.570 1.666 524 HA CYS 85 HA CYS 85 13.046 7.648 -0.969 525 HB2 CYS 85 HB1 CYS 85 11.181 8.243 0.678 526 HB3 CYS 85 HB2 CYS 85 12.385 9.221 1.517 527 H VAL 86 H VAL 86 15.017 8.148 -1.662 528 HA VAL 86 HA VAL 86 16.790 9.648 0.150 529 HB VAL 86 HB VAL 86 17.677 7.572 -1.858 530 HG11 VAL 86 HG11 VAL 86 19.621 8.651 -1.808 531 HG12 VAL 86 HG12 VAL 86 19.057 9.738 -0.536 532 HG13 VAL 86 HG13 VAL 86 19.761 8.177 -0.116 533 HG21 VAL 86 HG21 VAL 86 17.414 7.515 1.133 534 HG22 VAL 86 HG22 VAL 86 16.781 6.372 -0.051 535 HG23 VAL 86 HG23 VAL 86 18.513 6.436 0.273 536 H ASN 87 H ASN 87 17.662 11.466 -0.662 537 HA ASN 87 HA ASN 87 17.972 13.237 -2.059 538 HB2 ASN 87 HB1 ASN 87 19.231 11.068 -3.176 539 HB3 ASN 87 HB2 ASN 87 18.215 11.630 -4.508 540 HD21 ASN 87 HD21 ASN 87 20.878 11.736 -4.820 541 HD22 ASN 87 HD22 ASN 87 21.436 13.369 -4.770 542 H ASP 88 H ASP 88 15.276 12.435 -1.637 543 HA ASP 88 HA ASP 88 13.180 12.908 -2.382 544 HB2 ASP 88 HB1 ASP 88 14.768 14.940 -3.332 545 HB3 ASP 88 HB2 ASP 88 13.993 14.353 -4.808 546 HD2 ASP 88 HD ASP 88 11.186 16.118 -4.013 547 H VAL 89 H VAL 89 14.716 10.586 -3.413 548 HA VAL 89 HA VAL 89 12.907 9.939 -5.614 549 HB VAL 89 HB VAL 89 15.892 9.498 -5.784 550 HG11 VAL 89 HG11 VAL 89 15.195 8.827 -8.176 551 HG12 VAL 89 HG12 VAL 89 14.950 7.667 -6.868 552 HG13 VAL 89 HG13 VAL 89 13.589 8.606 -7.482 553 HG21 VAL 89 HG21 VAL 89 15.452 10.957 -7.911 554 HG22 VAL 89 HG22 VAL 89 14.050 11.510 -6.995 555 HG23 VAL 89 HG23 VAL 89 15.671 11.723 -6.338 556 H CYS 90 H CYS 90 12.262 7.833 -5.657 557 HA CYS 90 HA CYS 90 12.502 6.284 -3.336 558 HB2 CYS 90 HB1 CYS 90 10.934 6.232 -5.610 559 HB3 CYS 90 HB2 CYS 90 11.882 4.750 -5.753 560 H THR 91 H THR 91 14.251 5.283 -2.613 561 HA THR 91 HA THR 91 16.050 4.004 -4.568 562 HB THR 91 HB THR 91 16.796 5.246 -1.914 563 HG1 THR 91 HG1 THR 91 17.469 5.982 -4.586 564 HG21 THR 91 HG21 THR 91 19.108 4.710 -2.544 565 HG22 THR 91 HG22 THR 91 18.519 3.871 -3.979 566 HG23 THR 91 HG23 THR 91 18.130 3.253 -2.374 567 H THR 92 H THR 92 16.754 1.944 -4.156 568 HA THR 92 HA THR 92 15.141 0.215 -2.704 569 HB THR 92 HB THR 92 17.239 -1.335 -2.813 570 HG1 THR 92 HG1 THR 92 18.671 -0.548 -4.522 571 HG21 THR 92 HG21 THR 92 16.878 -1.305 -5.462 572 HG22 THR 92 HG22 THR 92 15.496 -0.319 -4.985 573 HG23 THR 92 HG23 THR 92 15.675 -1.953 -4.347 574 H MET 93 H MET 93 15.503 -0.986 -0.776 575 HA MET 93 HA MET 93 16.430 0.577 1.395 576 HB2 MET 93 HB1 MET 93 14.868 -1.733 1.047 577 HB3 MET 93 HB2 MET 93 16.237 -2.229 2.053 578 HG2 MET 93 HG1 MET 93 15.699 -0.144 3.469 579 HG3 MET 93 HG2 MET 93 14.151 -0.163 2.623 580 HE1 MET 93 HE1 MET 93 13.211 -1.432 6.098 581 HE2 MET 93 HE2 MET 93 14.918 -0.997 6.174 582 HE3 MET 93 HE3 MET 93 13.796 -0.007 5.238 583 H GLU 94 H GLU 94 17.784 -2.186 -0.346 584 HA GLU 94 HA GLU 94 19.984 -2.658 1.326 585 HB2 GLU 94 HB1 GLU 94 19.294 -3.279 -1.507 586 HB3 GLU 94 HB2 GLU 94 20.983 -3.458 -1.010 587 HG2 GLU 94 HG1 GLU 94 20.490 -5.130 0.543 588 HG3 GLU 94 HG2 GLU 94 18.768 -4.727 0.552 589 HE2 GLU 94 HE GLU 94 19.863 -6.532 -2.800 590 H ASP 95 H ASP 95 19.404 -0.241 -1.099 591 HA ASP 95 HA ASP 95 22.183 0.554 -1.265 592 HB2 ASP 95 HB1 ASP 95 19.637 1.334 -2.594 593 HB3 ASP 95 HB2 ASP 95 20.903 2.566 -2.500 594 HD2 ASP 95 HD ASP 95 21.316 -0.331 -5.084 595 H ALA 96 H ALA 96 19.160 1.944 -0.010 596 HA ALA 96 HA ALA 96 20.184 4.326 0.990 597 HB1 ALA 96 HB1 ALA 96 18.178 3.375 2.774 598 HB2 ALA 96 HB2 ALA 96 18.049 4.608 1.518 599 HB3 ALA 96 HB3 ALA 96 17.738 2.916 1.129 600 H THR 97 H THR 97 20.678 4.962 3.176 601 HA THR 97 HA THR 97 21.847 4.808 5.124 602 HB THR 97 HB THR 97 21.217 1.913 5.454 603 HG1 THR 97 HG1 THR 97 19.233 3.916 5.825 604 HG21 THR 97 HG21 THR 97 21.736 4.270 7.115 605 HG22 THR 97 HG22 THR 97 21.997 2.560 7.461 606 HG23 THR 97 HG23 THR 97 20.399 3.272 7.685 607 H GLU 98 H GLU 98 23.917 5.033 4.348 608 HA GLU 98 HA GLU 98 25.438 2.529 4.062 609 HB2 GLU 98 HB1 GLU 98 25.158 4.747 2.177 610 HB3 GLU 98 HB2 GLU 98 26.846 4.367 2.554 611 HG2 GLU 98 HG1 GLU 98 26.173 1.917 2.074 612 HG3 GLU 98 HG2 GLU 98 24.773 2.639 1.270 613 HE2 GLU 98 HE GLU 98 26.989 2.539 -1.426 614 H ASN 99 H ASN 99 27.731 2.728 4.568 615 HA ASN 99 HA ASN 99 28.178 4.056 7.001 616 HB2 ASN 99 HB1 ASN 99 30.075 2.787 5.017 617 HB3 ASN 99 HB2 ASN 99 30.607 3.444 6.570 618 HD21 ASN 99 HD21 ASN 99 30.654 0.696 5.549 619 HD22 ASN 99 HD22 ASN 99 29.793 -0.248 6.711 620 H LEU 100 H LEU 100 29.356 4.780 3.724 621 HA LEU 100 HA LEU 100 30.150 6.687 2.775 622 HB2 LEU 100 HB1 LEU 100 27.954 7.418 4.279 623 HB3 LEU 100 HB2 LEU 100 29.214 8.539 4.821 624 HG LEU 100 HG LEU 100 29.321 8.523 2.005 625 HD11 LEU 100 HD11 LEU 100 27.128 7.568 1.881 626 HD12 LEU 100 HD12 LEU 100 27.013 9.281 1.482 627 HD13 LEU 100 HD13 LEU 100 26.510 8.712 3.074 628 HD21 LEU 100 HD21 LEU 100 28.876 10.840 2.235 629 HD22 LEU 100 HD22 LEU 100 29.790 10.360 3.665 630 HD23 LEU 100 HD23 LEU 100 28.046 10.599 3.771 631 H TYR 101 H TYR 101 31.218 8.991 3.626 632 HA TYR 101 HA TYR 101 33.390 8.115 5.411 633 HB2 TYR 101 HB1 TYR 101 33.352 9.527 2.850 634 HB3 TYR 101 HB2 TYR 101 34.310 10.364 4.075 635 HD1 TYR 101 HD1 TYR 101 34.610 8.150 1.484 636 HD2 TYR 101 HD2 TYR 101 35.774 8.556 5.556 637 HE1 TYR 101 HE1 TYR 101 36.489 6.612 1.094 638 HE2 TYR 101 HE2 TYR 101 37.658 7.021 5.177 639 HH TYR 101 HH TYR 101 37.979 4.972 3.138 640 H PHE 102 H PHE 102 34.497 9.990 6.547 641 HA PHE 102 HA PHE 102 32.453 11.863 7.545 642 HB2 PHE 102 HB1 PHE 102 33.485 11.784 9.720 643 HB3 PHE 102 HB2 PHE 102 33.168 10.130 9.190 644 HD1 PHE 102 HD1 PHE 102 35.793 12.627 9.766 645 HD2 PHE 102 HD2 PHE 102 34.936 8.587 8.736 646 HE1 PHE 102 HE1 PHE 102 38.153 12.037 10.131 647 HE2 PHE 102 HE2 PHE 102 37.294 7.990 9.100 648 HZ PHE 102 HZ PHE 102 38.908 9.715 9.799 649 H GLN 103 H GLN 103 33.649 13.751 8.781 650 HA GLN 103 HA GLN 103 36.066 14.618 7.423 651 HB2 GLN 103 HB1 GLN 103 33.610 15.371 6.388 652 HB3 GLN 103 HB2 GLN 103 34.078 16.752 7.393 653 HG2 GLN 103 HG1 GLN 103 36.313 16.706 6.200 654 HG3 GLN 103 HG2 GLN 103 35.561 15.576 5.065 655 HE21 GLN 103 HE21 GLN 103 35.068 16.583 3.262 656 HE22 GLN 103 HE22 GLN 103 34.359 18.153 3.129 657 H SER 104 H SER 104 37.360 15.573 8.843 658 HA SER 104 HA SER 104 36.446 16.148 11.496 659 HB2 SER 104 HB1 SER 104 38.789 16.785 11.937 660 HB3 SER 104 HB2 SER 104 38.684 15.223 11.106 661 HG SER 104 HG SER 104 39.188 17.712 9.835 662 H LEU 105 H LEU 105 37.505 18.321 12.448 663 HA LEU 105 HA LEU 105 36.264 20.484 10.899 664 HB2 LEU 105 HB1 LEU 105 36.200 19.744 13.643 665 HB3 LEU 105 HB2 LEU 105 37.014 21.313 13.519 666 HG LEU 105 HG LEU 105 34.957 21.999 12.098 667 HD11 LEU 105 HD11 LEU 105 33.468 20.026 13.737 668 HD12 LEU 105 HD12 LEU 105 34.236 19.452 12.257 669 HD13 LEU 105 HD13 LEU 105 33.054 20.759 12.186 670 HD21 LEU 105 HD21 LEU 105 33.720 22.576 14.176 671 HD22 LEU 105 HD22 LEU 105 35.434 22.992 14.229 672 HD23 LEU 105 HD23 LEU 105 34.845 21.562 15.078 673 H GLU 106 H GLU 106 37.304 22.676 11.206 674 HA GLU 106 HA GLU 106 39.842 22.722 10.106 675 HB2 GLU 106 HB1 GLU 106 37.920 24.602 10.752 676 HB3 GLU 106 HB2 GLU 106 39.292 25.057 11.772 677 HG2 GLU 106 HG1 GLU 106 40.605 25.652 10.017 678 HG3 GLU 106 HG2 GLU 106 39.857 24.476 8.926 679 HE2 GLU 106 HE GLU 106 37.964 26.969 7.568 680 H HIS 107 H HIS 107 41.808 23.768 11.093 681 HA HIS 107 HA HIS 107 42.257 22.644 13.778 682 HB2 HIS 107 HB1 HIS 107 44.694 22.655 13.110 683 HB3 HIS 107 HB2 HIS 107 43.670 21.523 12.223 684 HD1 HIS 107 HD1 HIS 107 43.026 22.200 9.740 685 HD2 HIS 107 HD2 HIS 107 45.961 24.535 11.529 686 HE1 HIS 107 HE1 HIS 107 44.129 23.452 7.859 687 HE2 HIS 107 HE2 HIS 107 45.924 24.877 8.951 688 H HIS 108 H HIS 108 43.762 23.804 15.171 689 HA HIS 108 HA HIS 108 44.445 25.666 16.285 690 HB2 HIS 108 HB1 HIS 108 45.380 25.943 13.705 691 HB3 HIS 108 HB2 HIS 108 44.529 27.467 13.974 692 HD1 HIS 108 HD1 HIS 108 46.393 29.076 14.365 693 HD2 HIS 108 HD2 HIS 108 46.790 25.623 16.642 694 HE1 HIS 108 HE1 HIS 108 48.339 29.502 15.901 695 HE2 HIS 108 HE2 HIS 108 48.582 27.391 17.292 696 H HIS 109 H HIS 109 43.883 28.038 16.694 697 HA HIS 109 HA HIS 109 41.160 28.716 15.871 698 HB2 HIS 109 HB1 HIS 109 42.030 27.974 18.612 699 HB3 HIS 109 HB2 HIS 109 40.965 29.378 18.479 700 HD1 HIS 109 HD1 HIS 109 38.526 28.922 18.292 701 HD2 HIS 109 HD2 HIS 109 40.818 25.573 17.401 702 HE1 HIS 109 HE1 HIS 109 36.884 27.039 18.004 703 HE2 HIS 109 HE2 HIS 109 38.283 24.993 17.459 704 H HIS 110 H HIS 110 40.556 30.948 16.613 705 HA HIS 110 HA HIS 110 40.954 33.188 16.661 706 HB2 HIS 110 HB1 HIS 110 43.670 32.499 17.798 707 HB3 HIS 110 HB2 HIS 110 42.780 34.013 17.987 708 HD1 HIS 110 HD1 HIS 110 43.716 31.504 20.079 709 HD2 HIS 110 HD2 HIS 110 39.962 33.015 19.139 710 HE1 HIS 110 HE1 HIS 110 42.235 30.876 22.012 711 HE2 HIS 110 HE2 HIS 110 39.940 31.800 21.440 712 H HIS 111 H HIS 111 42.399 34.926 15.768 713 HA HIS 111 HA HIS 111 43.723 33.918 13.343 714 HB2 HIS 111 HB1 HIS 111 41.688 35.755 13.589 715 HB3 HIS 111 HB2 HIS 111 43.115 36.787 13.446 716 HD1 HIS 111 HD1 HIS 111 41.242 34.130 11.536 717 HD2 HIS 111 HD2 HIS 111 44.219 36.963 10.929 718 HE1 HIS 111 HE1 HIS 111 41.630 34.176 9.051 719 HE2 HIS 111 HE2 HIS 111 43.450 35.906 8.680 720 H HIS 112 H HIS 112 44.055 36.136 16.057 721 HA HIS 112 HA HIS 112 45.865 37.145 16.997 722 HB2 HIS 112 HB1 HIS 112 46.699 34.629 16.355 723 HB3 HIS 112 HB2 HIS 112 47.875 35.612 15.478 724 HD1 HIS 112 HD1 HIS 112 46.521 35.306 19.015 725 HD2 HIS 112 HD2 HIS 112 49.949 36.492 16.990 726 HE1 HIS 112 HE1 HIS 112 48.219 35.807 20.802 727 HE2 HIS 112 HE2 HIS 112 50.314 36.531 19.563 Start of MODEL 5 1 H1 MET 18 H MET 18 -8.264 -31.609 31.107 2 HA MET 18 HA MET 18 -8.376 -31.403 28.367 3 HB2 MET 18 HB1 MET 18 -9.775 -33.781 29.405 4 HB3 MET 18 HB2 MET 18 -10.741 -32.768 28.321 5 HG2 MET 18 HG1 MET 18 -9.798 -33.876 26.638 6 HG3 MET 18 HG2 MET 18 -8.337 -32.957 27.005 7 HE1 MET 18 HE1 MET 18 -5.927 -35.360 27.077 8 HE2 MET 18 HE2 MET 18 -7.057 -35.944 25.857 9 HE3 MET 18 HE3 MET 18 -6.847 -34.211 26.105 10 H LEU 19 H LEU 19 -8.807 -29.280 28.903 11 HA LEU 19 HA LEU 19 -11.505 -28.763 29.967 12 HB2 LEU 19 HB1 LEU 19 -9.087 -26.974 30.256 13 HB3 LEU 19 HB2 LEU 19 -10.692 -26.730 30.967 14 HG LEU 19 HG LEU 19 -8.818 -28.981 31.690 15 HD11 LEU 19 HD11 LEU 19 -8.382 -26.402 32.305 16 HD12 LEU 19 HD12 LEU 19 -7.958 -27.745 33.367 17 HD13 LEU 19 HD13 LEU 19 -9.458 -26.855 33.629 18 HD21 LEU 19 HD21 LEU 19 -11.196 -29.497 31.999 19 HD22 LEU 19 HD22 LEU 19 -11.382 -28.038 32.972 20 HD23 LEU 19 HD23 LEU 19 -10.351 -29.352 33.540 21 H VAL 20 H VAL 20 -12.815 -27.942 28.488 22 HA VAL 20 HA VAL 20 -11.665 -26.502 26.202 23 HB VAL 20 HB VAL 20 -14.438 -27.657 26.523 24 HG11 VAL 20 HG11 VAL 20 -14.049 -27.349 23.860 25 HG12 VAL 20 HG12 VAL 20 -14.873 -26.173 24.886 26 HG13 VAL 20 HG13 VAL 20 -13.168 -25.956 24.488 27 HG21 VAL 20 HG21 VAL 20 -12.157 -28.685 24.842 28 HG22 VAL 20 HG22 VAL 20 -12.593 -29.336 26.422 29 HG23 VAL 20 HG23 VAL 20 -13.735 -29.436 25.082 30 H LEU 21 H LEU 21 -11.617 -24.367 26.438 31 HA LEU 21 HA LEU 21 -13.403 -22.982 28.214 32 HB2 LEU 21 HB1 LEU 21 -11.048 -22.307 26.550 33 HB3 LEU 21 HB2 LEU 21 -12.192 -20.994 26.870 34 HG LEU 21 HG LEU 21 -10.339 -20.983 28.460 35 HD11 LEU 21 HD11 LEU 21 -12.916 -20.566 29.022 36 HD12 LEU 21 HD12 LEU 21 -11.633 -20.396 30.220 37 HD13 LEU 21 HD13 LEU 21 -12.589 -21.878 30.156 38 HD21 LEU 21 HD21 LEU 21 -10.479 -23.707 28.346 39 HD22 LEU 21 HD22 LEU 21 -11.214 -23.367 29.913 40 HD23 LEU 21 HD23 LEU 21 -9.587 -22.784 29.557 41 H ASP 22 H ASP 22 -15.185 -21.826 27.731 42 HA ASP 22 HA ASP 22 -16.396 -22.195 25.157 43 HB2 ASP 22 HB1 ASP 22 -18.236 -20.771 26.147 44 HB3 ASP 22 HB2 ASP 22 -17.860 -22.252 27.035 45 HD2 ASP 22 HD ASP 22 -17.093 -18.780 28.766 46 H PHE 23 H PHE 23 -17.669 -20.020 24.420 47 HA PHE 23 HA PHE 23 -15.916 -17.713 24.405 48 HB2 PHE 23 HB1 PHE 23 -15.589 -17.615 22.031 49 HB3 PHE 23 HB2 PHE 23 -15.058 -19.205 22.583 50 HD1 PHE 23 HD1 PHE 23 -17.377 -17.410 20.483 51 HD2 PHE 23 HD2 PHE 23 -16.487 -21.201 22.200 52 HE1 PHE 23 HE1 PHE 23 -18.870 -18.494 18.856 53 HE2 PHE 23 HE2 PHE 23 -17.978 -22.291 20.575 54 HZ PHE 23 HZ PHE 23 -19.171 -20.938 18.899 55 H ASN 24 H ASN 24 -16.961 -15.812 23.893 56 HA ASN 24 HA ASN 24 -19.861 -15.958 23.899 57 HB2 ASN 24 HB1 ASN 24 -17.968 -14.192 24.980 58 HB3 ASN 24 HB2 ASN 24 -18.789 -13.274 23.713 59 HD21 ASN 24 HD21 ASN 24 -19.028 -14.612 26.839 60 HD22 ASN 24 HD22 ASN 24 -20.644 -14.109 27.182 61 H ASN 25 H ASN 25 -21.137 -15.625 22.190 62 HA ASN 25 HA ASN 25 -19.889 -15.060 19.622 63 HB2 ASN 25 HB1 ASN 25 -21.870 -16.803 20.373 64 HB3 ASN 25 HB2 ASN 25 -22.800 -15.470 19.681 65 HD21 ASN 25 HD21 ASN 25 -23.426 -16.231 17.769 66 HD22 ASN 25 HD22 ASN 25 -22.367 -16.824 16.540 67 H ILE 26 H ILE 26 -21.255 -13.674 18.080 68 HA ILE 26 HA ILE 26 -21.609 -11.092 19.351 69 HB ILE 26 HB ILE 26 -21.809 -10.199 17.091 70 HG12 ILE 26 HG11 ILE 26 -21.144 -12.222 15.359 71 HG13 ILE 26 HG12 ILE 26 -22.273 -13.031 16.460 72 HG21 ILE 26 HG21 ILE 26 -19.569 -11.012 18.227 73 HG22 ILE 26 HG22 ILE 26 -19.539 -12.100 16.841 74 HG23 ILE 26 HG23 ILE 26 -19.586 -10.355 16.590 75 HD11 ILE 26 HD11 ILE 26 -23.601 -10.719 15.953 76 HD12 ILE 26 HD12 ILE 26 -22.787 -11.010 14.416 77 HD13 ILE 26 HD13 ILE 26 -23.851 -12.240 15.098 78 H ARG 27 H ARG 27 -23.483 -9.793 19.130 79 HA ARG 27 HA ARG 27 -25.943 -11.225 18.401 80 HB2 ARG 27 HB1 ARG 27 -25.553 -11.225 20.892 81 HB3 ARG 27 HB2 ARG 27 -25.704 -9.464 20.840 82 HG2 ARG 27 HG1 ARG 27 -27.972 -9.547 20.239 83 HG3 ARG 27 HG2 ARG 27 -27.865 -11.258 19.793 84 HD2 ARG 27 HD1 ARG 27 -27.600 -10.135 22.593 85 HD3 ARG 27 HD2 ARG 27 -29.015 -10.963 21.930 86 HE ARG 27 HE ARG 27 -26.710 -12.595 21.700 87 HH11 ARG 27 HH11 ARG 27 -29.028 -11.415 24.013 88 HH12 ARG 27 HH12 ARG 27 -28.859 -12.776 25.072 89 HH21 ARG 27 HH21 ARG 27 -26.478 -14.392 23.086 90 HH22 ARG 27 HH22 ARG 27 -27.408 -14.469 24.544 91 H SER 28 H SER 28 -24.919 -8.012 19.573 92 HA SER 28 HA SER 28 -26.092 -6.817 17.170 93 HB2 SER 28 HB1 SER 28 -26.598 -5.327 19.685 94 HB3 SER 28 HB2 SER 28 -27.624 -5.526 18.253 95 HG SER 28 HG SER 28 -28.538 -7.219 19.127 96 H SER 29 H SER 29 -23.388 -7.226 17.710 97 HA SER 29 HA SER 29 -22.458 -4.463 17.761 98 HB2 SER 29 HB1 SER 29 -21.110 -6.585 19.453 99 HB3 SER 29 HB2 SER 29 -20.725 -4.857 19.380 100 HG SER 29 HG SER 29 -22.284 -4.456 20.735 101 H ALA 30 H ALA 30 -21.379 -4.214 15.930 102 HA ALA 30 HA ALA 30 -19.117 -5.740 15.237 103 HB1 ALA 30 HB1 ALA 30 -21.241 -7.211 14.641 104 HB2 ALA 30 HB2 ALA 30 -21.200 -6.224 13.180 105 HB3 ALA 30 HB3 ALA 30 -19.799 -7.197 13.627 106 H ASP 31 H ASP 31 -19.849 -3.003 15.484 107 HA ASP 31 HA ASP 31 -19.585 -0.993 14.451 108 HB2 ASP 31 HB1 ASP 31 -18.056 -2.736 12.502 109 HB3 ASP 31 HB2 ASP 31 -18.048 -0.968 12.471 110 HD2 ASP 31 HD ASP 31 -16.570 -1.654 15.922 111 H LEU 32 H LEU 32 -21.913 -1.009 14.071 112 HA LEU 32 HA LEU 32 -22.545 -1.168 11.197 113 HB2 LEU 32 HB1 LEU 32 -23.613 -2.916 12.712 114 HB3 LEU 32 HB2 LEU 32 -24.539 -1.577 13.409 115 HG LEU 32 HG LEU 32 -24.924 -1.376 10.645 116 HD11 LEU 32 HD11 LEU 32 -24.341 -3.473 9.978 117 HD12 LEU 32 HD12 LEU 32 -26.007 -3.783 10.465 118 HD13 LEU 32 HD13 LEU 32 -24.681 -4.192 11.553 119 HD21 LEU 32 HD21 LEU 32 -26.844 -2.727 12.505 120 HD22 LEU 32 HD22 LEU 32 -27.174 -1.602 11.186 121 HD23 LEU 32 HD23 LEU 32 -26.454 -1.017 12.688 122 H HIS 33 H HIS 33 -21.704 1.122 11.428 123 HA HIS 33 HA HIS 33 -24.000 2.882 11.785 124 HB2 HIS 33 HB1 HIS 33 -22.122 2.699 13.791 125 HB3 HIS 33 HB2 HIS 33 -21.537 4.071 12.844 126 HD1 HIS 33 HD1 HIS 33 -24.400 3.008 15.004 127 HD2 HIS 33 HD2 HIS 33 -23.122 6.372 12.928 128 HE1 HIS 33 HE1 HIS 33 -25.865 4.889 15.804 129 HE2 HIS 33 HE2 HIS 33 -25.083 6.946 14.538 130 H GLY 34 H GLY 34 -20.512 2.878 11.021 131 HA2 GLY 34 HA2 GLY 34 -19.519 3.482 8.994 132 HA3 GLY 34 HA3 GLY 34 -21.085 4.026 8.415 133 HA1 GLY 34 HA1 GLY 34 -19.508 3.791 9.819 134 H ALA 35 H ALA 35 -19.100 5.620 7.768 135 HA ALA 35 HA ALA 35 -19.740 8.068 9.065 136 HB1 ALA 35 HB1 ALA 35 -17.075 8.305 9.533 137 HB2 ALA 35 HB2 ALA 35 -18.276 7.894 10.758 138 HB3 ALA 35 HB3 ALA 35 -17.354 6.618 9.963 139 H ARG 36 H ARG 36 -19.434 9.717 7.684 140 HA ARG 36 HA ARG 36 -17.403 9.525 5.604 141 HB2 ARG 36 HB1 ARG 36 -20.246 9.113 5.153 142 HB3 ARG 36 HB2 ARG 36 -19.622 10.476 4.211 143 HG2 ARG 36 HG1 ARG 36 -18.014 7.987 4.177 144 HG3 ARG 36 HG2 ARG 36 -19.570 7.964 3.328 145 HD2 ARG 36 HD1 ARG 36 -18.408 10.396 2.594 146 HD3 ARG 36 HD2 ARG 36 -17.078 9.228 2.579 147 HE ARG 36 HE ARG 36 -19.364 8.189 1.249 148 HH11 ARG 36 HH11 ARG 36 -16.705 10.407 0.877 149 HH12 ARG 36 HH12 ARG 36 -16.668 10.276 -0.850 150 HH21 ARG 36 HH21 ARG 36 -19.324 8.010 -1.024 151 HH22 ARG 36 HH22 ARG 36 -18.158 8.913 -1.931 152 H LYS 37 H LYS 37 -17.153 11.574 4.408 153 HA LYS 37 HA LYS 37 -18.314 13.934 5.650 154 HB2 LYS 37 HB1 LYS 37 -16.008 13.067 6.725 155 HB3 LYS 37 HB2 LYS 37 -15.359 14.028 5.387 156 HG2 LYS 37 HG1 LYS 37 -16.153 16.019 6.231 157 HG3 LYS 37 HG2 LYS 37 -17.426 15.222 7.174 158 HD2 LYS 37 HD1 LYS 37 -14.609 14.573 7.873 159 HD3 LYS 37 HD2 LYS 37 -15.206 16.189 8.293 160 HE2 LYS 37 HE1 LYS 37 -16.971 15.298 9.627 161 HE3 LYS 37 HE2 LYS 37 -16.678 13.664 9.016 162 HZ1 LYS 37 HZ1 LYS 37 -14.388 13.910 10.062 163 HZ2 LYS 37 HZ2 LYS 37 -15.696 13.694 11.111 164 HZ3 LYS 37 HZ3 LYS 37 -15.029 15.233 10.898 165 H GLY 38 H GLY 38 -15.599 13.067 3.492 166 HA2 GLY 38 HA2 GLY 38 -16.839 13.947 1.129 167 HA3 GLY 38 HA3 GLY 38 -15.896 15.277 1.785 168 HA1 GLY 38 HA1 GLY 38 -16.441 13.244 1.486 169 H SER 39 H SER 39 -14.309 15.376 0.266 170 HA SER 39 HA SER 39 -12.427 14.823 -0.889 171 HB2 SER 39 HB1 SER 39 -10.744 13.961 0.386 172 HB3 SER 39 HB2 SER 39 -11.931 14.189 1.681 173 HG SER 39 HG SER 39 -12.178 12.095 1.849 174 H GLN 40 H GLN 40 -11.095 12.591 -1.520 175 HA GLN 40 HA GLN 40 -13.100 11.060 -2.997 176 HB2 GLN 40 HB1 GLN 40 -10.302 11.847 -3.441 177 HB3 GLN 40 HB2 GLN 40 -10.676 10.184 -3.916 178 HG2 GLN 40 HG1 GLN 40 -12.789 11.611 -4.960 179 HG3 GLN 40 HG2 GLN 40 -11.406 12.693 -5.185 180 HE21 GLN 40 HE21 GLN 40 -12.565 9.424 -5.787 181 HE22 GLN 40 HE22 GLN 40 -11.605 9.147 -7.196 182 H CYS 41 H CYS 41 -10.199 10.506 -1.013 183 HA CYS 41 HA CYS 41 -11.324 7.891 -0.264 184 HB2 CYS 41 HB1 CYS 41 -9.098 6.904 -0.287 185 HB3 CYS 41 HB2 CYS 41 -9.495 7.555 -1.878 186 H LEU 42 H LEU 42 -11.085 7.286 1.856 187 HA LEU 42 HA LEU 42 -10.469 9.407 3.714 188 HB2 LEU 42 HB1 LEU 42 -12.029 7.003 3.711 189 HB3 LEU 42 HB2 LEU 42 -10.914 6.982 5.088 190 HG LEU 42 HG LEU 42 -11.822 9.256 5.709 191 HD11 LEU 42 HD11 LEU 42 -13.393 10.273 4.505 192 HD12 LEU 42 HD12 LEU 42 -14.333 8.792 4.326 193 HD13 LEU 42 HD13 LEU 42 -13.000 9.128 3.222 194 HD21 LEU 42 HD21 LEU 42 -12.514 6.925 6.611 195 HD22 LEU 42 HD22 LEU 42 -14.008 7.215 5.719 196 HD23 LEU 42 HD23 LEU 42 -13.510 8.330 6.992 197 H SER 43 H SER 43 -8.999 6.452 2.586 198 HA SER 43 HA SER 43 -6.485 7.183 3.765 199 HB2 SER 43 HB1 SER 43 -7.997 4.765 4.787 200 HB3 SER 43 HB2 SER 43 -6.249 4.975 4.990 201 HG SER 43 HG SER 43 -8.358 6.403 6.157 202 H ASP 44 H ASP 44 -4.761 5.601 3.194 203 HA ASP 44 HA ASP 44 -4.774 5.015 0.477 204 HB2 ASP 44 HB1 ASP 44 -2.794 3.478 1.090 205 HB3 ASP 44 HB2 ASP 44 -2.656 5.202 1.462 206 HD2 ASP 44 HD ASP 44 -2.672 2.627 4.432 207 H THR 45 H THR 45 -5.909 3.152 3.174 208 HA THR 45 HA THR 45 -5.880 0.581 2.078 209 HB THR 45 HB THR 45 -8.162 1.442 3.813 210 HG1 THR 45 HG1 THR 45 -5.441 1.194 4.634 211 HG21 THR 45 HG21 THR 45 -8.361 -0.773 3.964 212 HG22 THR 45 HG22 THR 45 -6.813 -0.812 4.810 213 HG23 THR 45 HG23 THR 45 -6.866 -1.011 3.059 214 H ASP 46 H ASP 46 -7.920 3.299 1.427 215 HA ASP 46 HA ASP 46 -10.121 1.898 0.311 216 HB2 ASP 46 HB1 ASP 46 -9.638 4.503 0.981 217 HB3 ASP 46 HB2 ASP 46 -9.547 4.572 -0.785 218 HD2 ASP 46 HD ASP 46 -13.055 3.742 0.865 219 H CYS 47 H CYS 47 -7.006 2.835 -0.900 220 HA CYS 47 HA CYS 47 -7.605 2.652 -3.671 221 HB2 CYS 47 HB1 CYS 47 -5.451 3.494 -2.176 222 HB3 CYS 47 HB2 CYS 47 -4.850 2.004 -2.905 223 H ASN 48 H ASN 48 -5.877 0.991 -4.853 224 HA ASN 48 HA ASN 48 -7.137 -1.482 -4.821 225 HB2 ASN 48 HB1 ASN 48 -4.320 -0.812 -5.719 226 HB3 ASN 48 HB2 ASN 48 -5.193 -2.293 -6.131 227 HD21 ASN 48 HD21 ASN 48 -5.695 -2.190 -8.198 228 HD22 ASN 48 HD22 ASN 48 -6.428 -0.845 -8.996 229 H THR 49 H THR 49 -3.726 -1.098 -3.887 230 HA THR 49 HA THR 49 -4.078 -2.356 -1.345 231 HB THR 49 HB THR 49 -2.288 -4.192 -2.330 232 HG1 THR 49 HG1 THR 49 -3.108 -3.363 -4.486 233 HG21 THR 49 HG21 THR 49 -3.731 -5.366 -1.099 234 HG22 THR 49 HG22 THR 49 -4.790 -5.432 -2.509 235 HG23 THR 49 HG23 THR 49 -4.988 -4.148 -1.316 236 H ARG 50 H ARG 50 -1.504 -2.329 -3.819 237 HA ARG 50 HA ARG 50 0.336 -1.241 -1.828 238 HB2 ARG 50 HB1 ARG 50 0.830 -2.298 -4.622 239 HB3 ARG 50 HB2 ARG 50 2.086 -1.750 -3.502 240 HG2 ARG 50 HG1 ARG 50 2.146 -3.708 -2.456 241 HG3 ARG 50 HG2 ARG 50 0.384 -3.735 -2.276 242 HD2 ARG 50 HD1 ARG 50 1.044 -5.652 -3.573 243 HD3 ARG 50 HD2 ARG 50 0.203 -4.510 -4.628 244 HE ARG 50 HE ARG 50 3.023 -4.109 -4.686 245 HH11 ARG 50 HH11 ARG 50 0.458 -6.124 -5.904 246 HH12 ARG 50 HH12 ARG 50 1.318 -6.574 -7.340 247 HH21 ARG 50 HH21 ARG 50 4.165 -4.694 -6.572 248 HH22 ARG 50 HH22 ARG 50 3.426 -5.761 -7.718 249 H LYS 51 H LYS 51 -1.545 0.598 -2.532 250 HA LYS 51 HA LYS 51 0.022 2.505 -4.133 251 HB2 LYS 51 HB1 LYS 51 -2.854 1.741 -4.373 252 HB3 LYS 51 HB2 LYS 51 -2.412 3.433 -4.653 253 HG2 LYS 51 HG1 LYS 51 -2.273 2.615 -6.783 254 HG3 LYS 51 HG2 LYS 51 -0.605 2.379 -6.232 255 HD2 LYS 51 HD1 LYS 51 -1.413 0.035 -5.482 256 HD3 LYS 51 HD2 LYS 51 -2.783 0.345 -6.563 257 HE2 LYS 51 HE1 LYS 51 -1.559 -0.048 -8.396 258 HE3 LYS 51 HE2 LYS 51 -0.247 0.988 -7.816 259 HZ1 LYS 51 HZ1 LYS 51 0.436 -1.334 -8.110 260 HZ2 LYS 51 HZ2 LYS 51 -0.688 -1.817 -6.943 261 HZ3 LYS 51 HZ3 LYS 51 0.610 -0.823 -6.507 262 H PHE 52 H PHE 52 -0.401 4.764 -3.629 263 HA PHE 52 HA PHE 52 -1.319 5.124 -0.852 264 HB2 PHE 52 HB1 PHE 52 0.330 6.836 -0.541 265 HB3 PHE 52 HB2 PHE 52 1.145 5.420 -1.209 266 HD1 PHE 52 HD1 PHE 52 0.245 8.880 -1.768 267 HD2 PHE 52 HD2 PHE 52 1.863 5.379 -3.568 268 HE1 PHE 52 HE1 PHE 52 1.154 10.248 -3.601 269 HE2 PHE 52 HE2 PHE 52 2.775 6.740 -5.404 270 HZ PHE 52 HZ PHE 52 2.422 9.178 -5.421 271 H CYS 53 H CYS 53 -2.466 7.011 -0.339 272 HA CYS 53 HA CYS 53 -3.918 8.141 -2.599 273 HB2 CYS 53 HB1 CYS 53 -4.429 7.729 0.268 274 HB3 CYS 53 HB2 CYS 53 -5.012 9.275 -0.350 275 H LEU 54 H LEU 54 -3.344 10.010 -3.468 276 HA LEU 54 HA LEU 54 -1.711 11.868 -1.884 277 HB2 LEU 54 HB1 LEU 54 -0.690 11.062 -3.950 278 HB3 LEU 54 HB2 LEU 54 -2.084 11.656 -4.867 279 HG LEU 54 HG LEU 54 -1.290 13.948 -3.685 280 HD11 LEU 54 HD11 LEU 54 1.012 14.133 -3.469 281 HD12 LEU 54 HD12 LEU 54 1.318 12.651 -4.374 282 HD13 LEU 54 HD13 LEU 54 0.669 12.565 -2.737 283 HD21 LEU 54 HD21 LEU 54 -1.566 14.193 -5.912 284 HD22 LEU 54 HD22 LEU 54 -0.803 12.649 -6.289 285 HD23 LEU 54 HD23 LEU 54 0.193 14.057 -5.923 286 H GLN 55 H GLN 55 -2.556 13.730 -1.227 287 HA GLN 55 HA GLN 55 -4.938 14.760 -2.622 288 HB2 GLN 55 HB1 GLN 55 -5.608 15.677 -0.330 289 HB3 GLN 55 HB2 GLN 55 -5.800 13.936 -0.594 290 HG2 GLN 55 HG1 GLN 55 -3.675 13.529 0.577 291 HG3 GLN 55 HG2 GLN 55 -3.541 15.267 0.883 292 HE21 GLN 55 HE21 GLN 55 -5.013 16.261 2.305 293 HE22 GLN 55 HE22 GLN 55 -5.885 15.342 3.480 294 HA PRO 56 HA PRO 56 -1.749 18.044 -2.791 295 HB2 PRO 56 HB1 PRO 56 -2.596 19.039 -5.197 296 HB3 PRO 56 HB2 PRO 56 -1.507 17.663 -5.043 297 HG2 PRO 56 HG1 PRO 56 -4.477 17.699 -5.461 298 HG3 PRO 56 HG2 PRO 56 -3.221 16.703 -6.287 299 HD2 PRO 56 HD1 PRO 56 -4.794 15.726 -4.302 300 HD3 PRO 56 HD2 PRO 56 -3.116 15.207 -4.537 301 H ARG 57 H ARG 57 -1.946 20.314 -2.608 302 HA ARG 57 HA ARG 57 -4.474 21.172 -1.500 303 HB2 ARG 57 HB1 ARG 57 -1.973 21.730 -0.773 304 HB3 ARG 57 HB2 ARG 57 -2.217 23.075 -1.897 305 HG2 ARG 57 HG1 ARG 57 -3.229 24.205 -0.286 306 HG3 ARG 57 HG2 ARG 57 -4.510 22.983 -0.281 307 HD2 ARG 57 HD1 ARG 57 -3.647 21.863 1.532 308 HD3 ARG 57 HD2 ARG 57 -1.992 22.382 1.182 309 HE ARG 57 HE ARG 57 -3.930 23.757 2.795 310 HH11 ARG 57 HH11 ARG 57 -1.067 24.108 0.846 311 HH12 ARG 57 HH12 ARG 57 -0.550 25.562 1.635 312 HH21 ARG 57 HH21 ARG 57 -3.261 25.670 3.842 313 HH22 ARG 57 HH22 ARG 57 -1.798 26.449 3.339 314 H ASP 58 H ASP 58 -2.674 21.577 -4.442 315 HA ASP 58 HA ASP 58 -4.347 23.777 -5.349 316 HB2 ASP 58 HB1 ASP 58 -1.732 22.895 -5.932 317 HB3 ASP 58 HB2 ASP 58 -2.670 22.660 -7.413 318 HD2 ASP 58 HD ASP 58 -1.840 26.331 -6.266 319 H GLU 59 H GLU 59 -4.160 20.345 -5.607 320 HA GLU 59 HA GLU 59 -6.303 20.391 -7.631 321 HB2 GLU 59 HB1 GLU 59 -3.799 18.947 -7.571 322 HB3 GLU 59 HB2 GLU 59 -5.168 17.825 -7.634 323 HG2 GLU 59 HG1 GLU 59 -6.036 19.263 -9.567 324 HG3 GLU 59 HG2 GLU 59 -4.406 19.954 -9.599 325 HE2 GLU 59 HE GLU 59 -4.817 16.813 -11.636 326 H LYS 60 H LYS 60 -7.452 18.091 -7.552 327 HA LYS 60 HA LYS 60 -8.557 17.912 -4.872 328 HB2 LYS 60 HB1 LYS 60 -9.401 17.132 -7.602 329 HB3 LYS 60 HB2 LYS 60 -9.953 16.077 -6.291 330 HG2 LYS 60 HG1 LYS 60 -10.633 18.383 -5.183 331 HG3 LYS 60 HG2 LYS 60 -10.658 18.900 -6.879 332 HD2 LYS 60 HD1 LYS 60 -12.020 16.340 -6.186 333 HD3 LYS 60 HD2 LYS 60 -12.795 17.859 -5.701 334 HE2 LYS 60 HE1 LYS 60 -11.779 17.721 -8.488 335 HE3 LYS 60 HE2 LYS 60 -13.178 16.712 -8.095 336 HZ1 LYS 60 HZ1 LYS 60 -13.348 19.428 -7.122 337 HZ2 LYS 60 HZ2 LYS 60 -14.511 18.485 -7.908 338 HZ3 LYS 60 HZ3 LYS 60 -13.326 19.290 -8.808 339 HA PRO 61 HA PRO 61 -6.618 14.185 -3.607 340 HB2 PRO 61 HB1 PRO 61 -8.654 12.854 -2.347 341 HB3 PRO 61 HB2 PRO 61 -7.875 14.291 -1.686 342 HG2 PRO 61 HG1 PRO 61 -10.432 14.056 -3.236 343 HG3 PRO 61 HG2 PRO 61 -10.089 15.001 -1.739 344 HD2 PRO 61 HD1 PRO 61 -10.190 16.142 -4.201 345 HD3 PRO 61 HD2 PRO 61 -9.097 16.708 -2.927 346 H PHE 62 H PHE 62 -6.151 12.172 -4.352 347 HA PHE 62 HA PHE 62 -8.081 10.513 -5.663 348 HB2 PHE 62 HB1 PHE 62 -6.824 10.453 -7.853 349 HB3 PHE 62 HB2 PHE 62 -7.736 11.933 -7.545 350 HD1 PHE 62 HD1 PHE 62 -6.717 13.971 -7.855 351 HD2 PHE 62 HD2 PHE 62 -4.305 10.549 -7.089 352 HE1 PHE 62 HE1 PHE 62 -4.693 15.322 -8.212 353 HE2 PHE 62 HE2 PHE 62 -2.277 11.894 -7.443 354 HZ PHE 62 HZ PHE 62 -2.469 14.285 -8.005 355 H CYS 63 H CYS 63 -6.775 8.646 -6.856 356 HA CYS 63 HA CYS 63 -4.856 7.689 -4.866 357 HB2 CYS 63 HB1 CYS 63 -6.871 6.467 -6.579 358 HB3 CYS 63 HB2 CYS 63 -5.321 5.630 -6.685 359 H ALA 64 H ALA 64 -2.748 7.520 -5.267 360 HA ALA 64 HA ALA 64 -1.824 7.968 -8.024 361 HB1 ALA 64 HB1 ALA 64 -0.574 8.576 -5.362 362 HB2 ALA 64 HB2 ALA 64 0.366 8.556 -6.855 363 HB3 ALA 64 HB3 ALA 64 -0.976 9.687 -6.673 364 H THR 65 H THR 65 -1.158 6.214 -9.056 365 HA THR 65 HA THR 65 -0.817 3.690 -7.997 366 HB THR 65 HB THR 65 -1.042 3.883 -10.355 367 HG1 THR 65 HG1 THR 65 0.708 2.612 -11.034 368 HG21 THR 65 HG21 THR 65 1.511 5.494 -10.304 369 HG22 THR 65 HG22 THR 65 -0.102 6.089 -10.691 370 HG23 THR 65 HG23 THR 65 0.697 4.943 -11.766 371 H CYS 66 H CYS 66 1.139 2.378 -7.789 372 HA CYS 66 HA CYS 66 2.982 3.480 -5.994 373 HB2 CYS 66 HB1 CYS 66 2.425 1.063 -6.173 374 HB3 CYS 66 HB2 CYS 66 3.328 0.997 -7.688 375 H ARG 67 H ARG 67 5.096 4.158 -6.189 376 HA ARG 67 HA ARG 67 5.902 4.934 -8.902 377 HB2 ARG 67 HB1 ARG 67 7.065 5.924 -6.295 378 HB3 ARG 67 HB2 ARG 67 7.242 6.643 -7.903 379 HG2 ARG 67 HG1 ARG 67 4.577 6.755 -7.702 380 HG3 ARG 67 HG2 ARG 67 5.003 6.827 -5.984 381 HD2 ARG 67 HD1 ARG 67 6.450 8.741 -6.375 382 HD3 ARG 67 HD2 ARG 67 6.139 8.635 -8.114 383 HE ARG 67 HE ARG 67 4.458 9.843 -6.146 384 HH11 ARG 67 HH11 ARG 67 4.465 8.188 -9.209 385 HH12 ARG 67 HH12 ARG 67 2.975 8.892 -9.740 386 HH21 ARG 67 HH21 ARG 67 2.495 10.776 -6.835 387 HH22 ARG 67 HH22 ARG 67 1.855 10.365 -8.390 388 H GLY 68 H GLY 68 7.900 4.418 -9.741 389 HA2 GLY 68 HA2 GLY 68 9.096 2.013 -8.778 390 HA3 GLY 68 HA3 GLY 68 9.667 2.991 -10.122 391 HA1 GLY 68 HA1 GLY 68 8.959 2.621 -8.153 392 H LEU 69 H LEU 69 11.810 2.477 -9.316 393 HA LEU 69 HA LEU 69 12.615 3.579 -6.771 394 HB2 LEU 69 HB1 LEU 69 14.188 2.326 -9.028 395 HB3 LEU 69 HB2 LEU 69 14.888 2.860 -7.490 396 HG LEU 69 HG LEU 69 12.910 0.621 -7.901 397 HD11 LEU 69 HD11 LEU 69 15.519 0.482 -8.339 398 HD12 LEU 69 HD12 LEU 69 14.627 -0.835 -7.578 399 HD13 LEU 69 HD13 LEU 69 15.549 0.295 -6.586 400 HD21 LEU 69 HD21 LEU 69 14.069 1.725 -5.344 401 HD22 LEU 69 HD22 LEU 69 13.124 0.241 -5.484 402 HD23 LEU 69 HD23 LEU 69 12.380 1.799 -5.847 403 H ARG 70 H ARG 70 13.488 4.204 -10.172 404 HA ARG 70 HA ARG 70 15.074 6.445 -9.746 405 HB2 ARG 70 HB1 ARG 70 13.583 5.292 -12.025 406 HB3 ARG 70 HB2 ARG 70 13.967 7.015 -12.155 407 HG2 ARG 70 HG1 ARG 70 16.043 4.930 -11.516 408 HG3 ARG 70 HG2 ARG 70 15.639 5.428 -13.168 409 HD2 ARG 70 HD1 ARG 70 16.686 7.423 -12.977 410 HD3 ARG 70 HD2 ARG 70 16.168 7.634 -11.299 411 HE ARG 70 HE ARG 70 18.154 6.736 -10.610 412 HH11 ARG 70 HH11 ARG 70 17.653 5.940 -13.962 413 HH12 ARG 70 HH12 ARG 70 19.230 5.254 -14.169 414 HH21 ARG 70 HH21 ARG 70 20.233 5.835 -10.870 415 HH22 ARG 70 HH22 ARG 70 20.697 5.194 -12.409 416 H ARG 71 H ARG 71 11.631 6.098 -9.649 417 HA ARG 71 HA ARG 71 10.736 8.658 -10.165 418 HB2 ARG 71 HB1 ARG 71 9.781 6.407 -8.466 419 HB3 ARG 71 HB2 ARG 71 9.036 7.993 -8.215 420 HG2 ARG 71 HG1 ARG 71 9.228 6.695 -10.928 421 HG3 ARG 71 HG2 ARG 71 7.860 6.456 -9.829 422 HD2 ARG 71 HD1 ARG 71 7.685 9.011 -9.746 423 HD3 ARG 71 HD2 ARG 71 8.776 9.000 -11.139 424 HE ARG 71 HE ARG 71 6.545 7.284 -11.555 425 HH11 ARG 71 HH11 ARG 71 7.534 10.622 -11.567 426 HH12 ARG 71 HH12 ARG 71 6.321 11.112 -12.703 427 HH21 ARG 71 HH21 ARG 71 4.944 7.917 -13.052 428 HH22 ARG 71 HH22 ARG 71 4.849 9.574 -13.547 429 H ARG 72 H ARG 72 10.562 10.544 -9.026 430 HA ARG 72 HA ARG 72 12.394 10.871 -6.811 431 HB2 ARG 72 HB1 ARG 72 10.624 12.861 -8.252 432 HB3 ARG 72 HB2 ARG 72 11.824 13.275 -7.017 433 HG2 ARG 72 HG1 ARG 72 13.106 11.699 -9.018 434 HG3 ARG 72 HG2 ARG 72 12.198 13.003 -9.803 435 HD2 ARG 72 HD1 ARG 72 14.067 13.456 -7.472 436 HD3 ARG 72 HD2 ARG 72 14.572 13.558 -9.165 437 HE ARG 72 HE ARG 72 12.340 15.204 -8.833 438 HH11 ARG 72 HH11 ARG 72 15.655 15.008 -7.787 439 HH12 ARG 72 HH12 ARG 72 15.838 16.722 -7.614 440 HH21 ARG 72 HH21 ARG 72 12.569 17.462 -8.609 441 HH22 ARG 72 HH22 ARG 72 14.082 18.117 -8.081 442 H CYS 73 H CYS 73 11.884 11.307 -4.718 443 HA CYS 73 HA CYS 73 9.050 11.560 -3.999 444 HB2 CYS 73 HB1 CYS 73 9.301 9.954 -2.178 445 HB3 CYS 73 HB2 CYS 73 9.651 9.193 -3.731 446 H GLN 74 H GLN 74 8.738 12.326 -1.761 447 HA GLN 74 HA GLN 74 10.974 14.046 -0.910 448 HB2 GLN 74 HB1 GLN 74 8.920 15.183 -1.882 449 HB3 GLN 74 HB2 GLN 74 8.051 14.623 -0.445 450 HG2 GLN 74 HG1 GLN 74 8.638 16.606 0.409 451 HG3 GLN 74 HG2 GLN 74 10.187 15.805 0.706 452 HE21 GLN 74 HE21 GLN 74 11.971 16.461 -0.364 453 HE22 GLN 74 HE22 GLN 74 12.001 17.766 -1.496 454 H ARG 75 H ARG 75 8.524 11.776 0.045 455 HA ARG 75 HA ARG 75 9.656 11.766 2.761 456 HB2 ARG 75 HB1 ARG 75 6.744 11.528 1.976 457 HB3 ARG 75 HB2 ARG 75 7.367 11.168 3.593 458 HG2 ARG 75 HG1 ARG 75 7.989 13.424 3.974 459 HG3 ARG 75 HG2 ARG 75 7.726 13.841 2.272 460 HD2 ARG 75 HD1 ARG 75 5.280 13.061 2.709 461 HD3 ARG 75 HD2 ARG 75 5.709 13.280 4.411 462 HE ARG 75 HE ARG 75 6.447 15.594 3.028 463 HH11 ARG 75 HH11 ARG 75 3.571 13.856 3.938 464 HH12 ARG 75 HH12 ARG 75 2.576 15.273 3.999 465 HH21 ARG 75 HH21 ARG 75 5.147 17.467 3.106 466 HH22 ARG 75 HH22 ARG 75 3.474 17.327 3.525 467 H ASP 76 H ASP 76 9.030 9.675 3.933 468 HA ASP 76 HA ASP 76 9.948 7.485 2.344 469 HB2 ASP 76 HB1 ASP 76 10.467 7.840 4.787 470 HB3 ASP 76 HB2 ASP 76 8.798 7.366 5.137 471 HD2 ASP 76 HD ASP 76 9.715 4.083 5.108 472 H ALA 77 H ALA 77 6.867 8.256 3.939 473 HA ALA 77 HA ALA 77 5.496 5.935 3.127 474 HB1 ALA 77 HB1 ALA 77 4.922 8.173 4.678 475 HB2 ALA 77 HB2 ALA 77 3.745 8.217 3.364 476 HB3 ALA 77 HB3 ALA 77 3.872 6.785 4.384 477 H MET 78 H MET 78 6.219 8.915 1.491 478 HA MET 78 HA MET 78 4.259 8.924 -0.489 479 HB2 MET 78 HB1 MET 78 6.998 10.041 -0.203 480 HB3 MET 78 HB2 MET 78 6.341 9.949 -1.844 481 HG2 MET 78 HG1 MET 78 4.262 11.115 -0.853 482 HG3 MET 78 HG2 MET 78 5.331 11.513 0.494 483 HE1 MET 78 HE1 MET 78 6.377 12.243 -3.786 484 HE2 MET 78 HE2 MET 78 5.080 11.228 -3.155 485 HE3 MET 78 HE3 MET 78 4.769 12.923 -3.534 486 H CYS 79 H CYS 79 7.059 6.917 -0.096 487 HA CYS 79 HA CYS 79 6.695 5.799 -2.789 488 HB2 CYS 79 HB1 CYS 79 8.981 6.610 -1.943 489 HB3 CYS 79 HB2 CYS 79 8.971 5.174 -0.916 490 H CYS 80 H CYS 80 6.511 3.549 -3.090 491 HA CYS 80 HA CYS 80 4.774 2.205 -1.419 492 HB2 CYS 80 HB1 CYS 80 6.576 1.428 -3.648 493 HB3 CYS 80 HB2 CYS 80 5.987 0.118 -2.623 494 HA PRO 81 HA PRO 81 7.049 0.513 1.928 495 HB2 PRO 81 HB1 PRO 81 5.944 -1.979 2.197 496 HB3 PRO 81 HB2 PRO 81 5.103 -0.490 2.622 497 HG2 PRO 81 HG1 PRO 81 4.936 -2.118 0.108 498 HG3 PRO 81 HG2 PRO 81 3.606 -1.395 1.089 499 HD2 PRO 81 HD1 PRO 81 4.507 -0.272 -1.212 500 HD3 PRO 81 HD2 PRO 81 3.919 0.689 0.155 501 H GLY 82 H GLY 82 8.882 -0.639 2.379 502 HA2 GLY 82 HA2 GLY 82 10.304 -2.566 2.060 503 HA3 GLY 82 HA3 GLY 82 9.755 -2.636 0.392 504 HA1 GLY 82 HA1 GLY 82 10.331 -1.698 2.210 505 H THR 83 H THR 83 10.052 0.429 0.406 506 HA THR 83 HA THR 83 12.969 0.442 -0.026 507 HB THR 83 HB THR 83 12.490 2.295 -1.693 508 HG1 THR 83 HG1 THR 83 10.164 2.330 -0.789 509 HG21 THR 83 HG21 THR 83 11.230 0.318 -3.185 510 HG22 THR 83 HG22 THR 83 12.144 -0.570 -1.966 511 HG23 THR 83 HG23 THR 83 12.968 0.570 -3.029 512 H LEU 84 H LEU 84 13.823 2.794 -0.064 513 HA LEU 84 HA LEU 84 12.542 4.362 2.069 514 HB2 LEU 84 HB1 LEU 84 15.350 3.366 1.872 515 HB3 LEU 84 HB2 LEU 84 15.049 4.943 2.622 516 HG LEU 84 HG LEU 84 13.311 2.889 3.707 517 HD11 LEU 84 HD11 LEU 84 16.225 2.509 4.306 518 HD12 LEU 84 HD12 LEU 84 15.410 1.585 3.044 519 HD13 LEU 84 HD13 LEU 84 14.863 1.467 4.716 520 HD21 LEU 84 HD21 LEU 84 15.199 4.983 4.696 521 HD22 LEU 84 HD22 LEU 84 14.585 3.756 5.806 522 HD23 LEU 84 HD23 LEU 84 13.462 4.821 4.959 523 H CYS 85 H CYS 85 12.466 6.521 1.750 524 HA CYS 85 HA CYS 85 13.101 7.534 -0.846 525 HB2 CYS 85 HB1 CYS 85 11.142 8.220 0.640 526 HB3 CYS 85 HB2 CYS 85 12.309 9.174 1.559 527 H VAL 86 H VAL 86 15.214 7.736 -1.321 528 HA VAL 86 HA VAL 86 16.827 9.447 0.449 529 HB VAL 86 HB VAL 86 17.821 7.007 -1.030 530 HG11 VAL 86 HG11 VAL 86 19.223 9.156 0.525 531 HG12 VAL 86 HG12 VAL 86 19.918 7.543 0.348 532 HG13 VAL 86 HG13 VAL 86 19.594 8.526 -1.079 533 HG21 VAL 86 HG21 VAL 86 17.694 7.485 1.943 534 HG22 VAL 86 HG22 VAL 86 16.480 6.578 1.041 535 HG23 VAL 86 HG23 VAL 86 18.143 5.996 1.110 536 H ASN 87 H ASN 87 18.154 10.925 -0.541 537 HA ASN 87 HA ASN 87 18.856 12.368 -2.153 538 HB2 ASN 87 HB1 ASN 87 19.651 9.885 -2.957 539 HB3 ASN 87 HB2 ASN 87 18.707 10.411 -4.356 540 HD21 ASN 87 HD21 ASN 87 21.676 10.574 -2.811 541 HD22 ASN 87 HD22 ASN 87 22.387 11.836 -3.753 542 H ASP 88 H ASP 88 16.011 12.058 -1.687 543 HA ASP 88 HA ASP 88 14.046 12.858 -2.509 544 HB2 ASP 88 HB1 ASP 88 15.526 13.898 -4.920 545 HB3 ASP 88 HB2 ASP 88 14.099 14.572 -4.123 546 HD2 ASP 88 HD ASP 88 17.199 16.339 -3.133 547 H VAL 89 H VAL 89 15.211 10.232 -3.365 548 HA VAL 89 HA VAL 89 13.245 9.687 -5.444 549 HB VAL 89 HB VAL 89 14.937 8.302 -6.710 550 HG11 VAL 89 HG11 VAL 89 15.878 10.272 -7.912 551 HG12 VAL 89 HG12 VAL 89 14.134 10.356 -7.648 552 HG13 VAL 89 HG13 VAL 89 15.228 11.301 -6.635 553 HG21 VAL 89 HG21 VAL 89 17.289 8.883 -6.473 554 HG22 VAL 89 HG22 VAL 89 16.901 9.974 -5.145 555 HG23 VAL 89 HG23 VAL 89 16.655 8.238 -4.960 556 H CYS 90 H CYS 90 12.737 7.433 -5.662 557 HA CYS 90 HA CYS 90 12.733 6.053 -3.181 558 HB2 CYS 90 HB1 CYS 90 11.893 5.276 -5.975 559 HB3 CYS 90 HB2 CYS 90 11.747 4.172 -4.606 560 H THR 91 H THR 91 14.551 5.218 -2.375 561 HA THR 91 HA THR 91 16.299 3.681 -4.184 562 HB THR 91 HB THR 91 17.025 5.073 -1.599 563 HG1 THR 91 HG1 THR 91 17.279 5.713 -4.318 564 HG21 THR 91 HG21 THR 91 19.343 4.433 -2.175 565 HG22 THR 91 HG22 THR 91 18.721 3.471 -3.517 566 HG23 THR 91 HG23 THR 91 18.317 3.035 -1.857 567 H THR 92 H THR 92 16.377 1.559 -3.875 568 HA THR 92 HA THR 92 14.860 0.194 -1.981 569 HB THR 92 HB THR 92 17.011 -1.505 -2.670 570 HG1 THR 92 HG1 THR 92 17.760 -0.451 -4.371 571 HG21 THR 92 HG21 THR 92 15.318 -2.582 -4.096 572 HG22 THR 92 HG22 THR 92 14.276 -1.172 -3.910 573 HG23 THR 92 HG23 THR 92 14.671 -2.168 -2.509 574 H MET 93 H MET 93 15.425 -0.997 -0.122 575 HA MET 93 HA MET 93 17.208 0.311 1.636 576 HB2 MET 93 HB1 MET 93 15.171 -0.936 2.340 577 HB3 MET 93 HB2 MET 93 16.000 -2.445 1.932 578 HG2 MET 93 HG1 MET 93 17.793 -1.782 3.586 579 HG3 MET 93 HG2 MET 93 16.705 -0.490 4.098 580 HE1 MET 93 HE1 MET 93 15.320 -0.477 5.604 581 HE2 MET 93 HE2 MET 93 13.950 -1.586 5.656 582 HE3 MET 93 HE3 MET 93 15.234 -1.715 6.858 583 H GLU 94 H GLU 94 17.455 -2.653 -0.265 584 HA GLU 94 HA GLU 94 19.813 -3.676 0.816 585 HB2 GLU 94 HB1 GLU 94 18.863 -3.822 -2.056 586 HB3 GLU 94 HB2 GLU 94 20.074 -4.876 -1.311 587 HG2 GLU 94 HG1 GLU 94 18.449 -5.851 0.150 588 HG3 GLU 94 HG2 GLU 94 17.227 -4.679 -0.364 589 HE2 GLU 94 HE GLU 94 16.904 -6.350 -3.492 590 H ASP 95 H ASP 95 19.285 -1.082 -1.458 591 HA ASP 95 HA ASP 95 22.114 -0.866 -2.090 592 HB2 ASP 95 HB1 ASP 95 19.592 0.324 -3.113 593 HB3 ASP 95 HB2 ASP 95 21.043 1.329 -3.228 594 HD2 ASP 95 HD ASP 95 21.774 -2.041 -5.079 595 H ALA 96 H ALA 96 19.686 0.733 -0.137 596 HA ALA 96 HA ALA 96 21.132 3.076 0.466 597 HB1 ALA 96 HB1 ALA 96 18.728 1.736 1.463 598 HB2 ALA 96 HB2 ALA 96 19.577 2.702 2.671 599 HB3 ALA 96 HB3 ALA 96 19.036 3.447 1.166 600 H THR 97 H THR 97 23.126 3.022 1.291 601 HA THR 97 HA THR 97 23.541 1.808 3.882 602 HB THR 97 HB THR 97 25.366 0.989 1.620 603 HG1 THR 97 HG1 THR 97 23.449 -0.107 1.310 604 HG21 THR 97 HG21 THR 97 25.439 -0.726 3.893 605 HG22 THR 97 HG22 THR 97 25.628 0.939 4.444 606 HG23 THR 97 HG23 THR 97 26.727 0.280 3.233 607 H GLU 98 H GLU 98 25.451 3.079 1.143 608 HA GLU 98 HA GLU 98 26.837 4.846 3.040 609 HB2 GLU 98 HB1 GLU 98 28.637 4.984 1.464 610 HB3 GLU 98 HB2 GLU 98 28.215 3.276 1.668 611 HG2 GLU 98 HG1 GLU 98 26.981 3.289 -0.421 612 HG3 GLU 98 HG2 GLU 98 27.318 5.014 -0.621 613 HE2 GLU 98 HE GLU 98 30.823 4.080 -1.069 614 H ASN 99 H ASN 99 27.595 6.962 1.963 615 HA ASN 99 HA ASN 99 25.250 8.165 0.662 616 HB2 ASN 99 HB1 ASN 99 25.982 9.067 2.888 617 HB3 ASN 99 HB2 ASN 99 27.490 9.578 2.121 618 HD21 ASN 99 HD21 ASN 99 25.323 11.128 3.385 619 HD22 ASN 99 HD22 ASN 99 24.827 12.278 2.193 620 H LEU 100 H LEU 100 25.395 8.742 -1.398 621 HA LEU 100 HA LEU 100 26.225 9.299 -3.440 622 HB2 LEU 100 HB1 LEU 100 27.501 10.936 -1.646 623 HB3 LEU 100 HB2 LEU 100 28.855 10.184 -2.510 624 HG LEU 100 HG LEU 100 27.034 11.026 -4.484 625 HD11 LEU 100 HD11 LEU 100 26.088 12.438 -2.615 626 HD12 LEU 100 HD12 LEU 100 26.626 13.310 -4.050 627 HD13 LEU 100 HD13 LEU 100 27.631 13.292 -2.601 628 HD21 LEU 100 HD21 LEU 100 28.916 12.721 -4.880 629 HD22 LEU 100 HD22 LEU 100 29.320 11.005 -4.958 630 HD23 LEU 100 HD23 LEU 100 29.722 11.942 -3.519 631 H TYR 101 H TYR 101 27.989 8.807 -5.016 632 HA TYR 101 HA TYR 101 29.123 6.178 -4.387 633 HB2 TYR 101 HB1 TYR 101 27.614 6.505 -6.389 634 HB3 TYR 101 HB2 TYR 101 28.897 7.487 -7.101 635 HD1 TYR 101 HD1 TYR 101 29.994 6.363 -8.785 636 HD2 TYR 101 HD2 TYR 101 28.869 4.210 -5.292 637 HE1 TYR 101 HE1 TYR 101 31.076 4.347 -9.687 638 HE2 TYR 101 HE2 TYR 101 29.949 2.189 -6.185 639 HH TYR 101 HH TYR 101 32.051 1.916 -8.096 640 H PHE 102 H PHE 102 31.279 5.654 -5.101 641 HA PHE 102 HA PHE 102 33.105 7.884 -4.691 642 HB2 PHE 102 HB1 PHE 102 33.164 4.999 -4.259 643 HB3 PHE 102 HB2 PHE 102 34.631 5.584 -5.044 644 HD1 PHE 102 HD1 PHE 102 36.230 6.909 -3.892 645 HD2 PHE 102 HD2 PHE 102 32.538 5.896 -2.034 646 HE1 PHE 102 HE1 PHE 102 37.107 7.691 -1.731 647 HE2 PHE 102 HE2 PHE 102 33.408 6.677 0.131 648 HZ PHE 102 HZ PHE 102 35.696 7.577 0.284 649 H GLN 103 H GLN 103 34.762 8.449 -6.113 650 HA GLN 103 HA GLN 103 34.224 7.748 -8.904 651 HB2 GLN 103 HB1 GLN 103 35.545 9.722 -9.479 652 HB3 GLN 103 HB2 GLN 103 34.254 10.133 -8.338 653 HG2 GLN 103 HG1 GLN 103 36.799 9.435 -7.062 654 HG3 GLN 103 HG2 GLN 103 36.860 10.873 -8.091 655 HE21 GLN 103 HE21 GLN 103 36.035 9.663 -5.073 656 HE22 GLN 103 HE22 GLN 103 35.193 11.042 -4.465 657 H SER 104 H SER 104 36.544 8.194 -10.161 658 HA SER 104 HA SER 104 37.986 5.815 -9.750 659 HB2 SER 104 HB1 SER 104 39.671 7.575 -11.172 660 HB3 SER 104 HB2 SER 104 38.580 6.351 -11.843 661 HG SER 104 HG SER 104 37.625 8.021 -12.696 662 H LEU 105 H LEU 105 40.285 5.611 -9.251 663 HA LEU 105 HA LEU 105 40.939 7.068 -6.851 664 HB2 LEU 105 HB1 LEU 105 42.574 4.990 -8.313 665 HB3 LEU 105 HB2 LEU 105 42.792 5.541 -6.642 666 HG LEU 105 HG LEU 105 40.156 4.370 -7.273 667 HD11 LEU 105 HD11 LEU 105 42.054 3.017 -8.466 668 HD12 LEU 105 HD12 LEU 105 40.799 2.187 -7.545 669 HD13 LEU 105 HD13 LEU 105 42.389 2.450 -6.830 670 HD21 LEU 105 HD21 LEU 105 41.103 3.137 -5.068 671 HD22 LEU 105 HD22 LEU 105 40.261 4.687 -5.046 672 HD23 LEU 105 HD23 LEU 105 42.024 4.640 -5.014 673 H GLU 106 H GLU 106 42.884 8.236 -6.496 674 HA GLU 106 HA GLU 106 44.415 9.843 -6.997 675 HB2 GLU 106 HB1 GLU 106 45.128 7.586 -8.412 676 HB3 GLU 106 HB2 GLU 106 45.109 8.844 -9.658 677 HG2 GLU 106 HG1 GLU 106 47.200 9.274 -9.019 678 HG3 GLU 106 HG2 GLU 106 46.453 10.082 -7.633 679 HE2 GLU 106 HE GLU 106 47.534 7.650 -5.437 680 H HIS 107 H HIS 107 45.203 11.186 -9.175 681 HA HIS 107 HA HIS 107 42.723 12.470 -10.053 682 HB2 HIS 107 HB1 HIS 107 44.185 14.356 -10.718 683 HB3 HIS 107 HB2 HIS 107 44.335 13.946 -9.006 684 HD1 HIS 107 HD1 HIS 107 46.203 13.404 -12.260 685 HD2 HIS 107 HD2 HIS 107 46.874 13.420 -8.160 686 HE1 HIS 107 HE1 HIS 107 48.693 13.177 -11.985 687 HE2 HIS 107 HE2 HIS 107 49.104 13.187 -9.479 688 H HIS 108 H HIS 108 43.169 13.628 -12.334 689 HA HIS 108 HA HIS 108 44.368 11.718 -14.197 690 HB2 HIS 108 HB1 HIS 108 41.483 12.576 -14.151 691 HB3 HIS 108 HB2 HIS 108 42.258 12.082 -15.660 692 HD1 HIS 108 HD1 HIS 108 42.274 9.648 -16.159 693 HD2 HIS 108 HD2 HIS 108 41.583 10.414 -12.134 694 HE1 HIS 108 HE1 HIS 108 41.765 7.411 -15.126 695 HE2 HIS 108 HE2 HIS 108 41.344 7.880 -12.665 696 H HIS 109 H HIS 109 44.031 12.703 -16.548 697 HA HIS 109 HA HIS 109 44.595 15.590 -16.395 698 HB2 HIS 109 HB1 HIS 109 46.203 15.208 -18.316 699 HB3 HIS 109 HB2 HIS 109 46.719 14.588 -16.745 700 HD1 HIS 109 HD1 HIS 109 47.209 12.130 -16.554 701 HD2 HIS 109 HD2 HIS 109 45.327 13.119 -20.124 702 HE1 HIS 109 HE1 HIS 109 47.291 10.045 -17.957 703 HE2 HIS 109 HE2 HIS 109 46.141 10.649 -20.141 704 H HIS 110 H HIS 110 44.610 16.489 -18.785 705 HA HIS 110 HA HIS 110 42.753 15.256 -20.586 706 HB2 HIS 110 HB1 HIS 110 41.095 17.134 -20.500 707 HB3 HIS 110 HB2 HIS 110 41.098 16.097 -19.069 708 HD1 HIS 110 HD1 HIS 110 41.527 17.177 -16.843 709 HD2 HIS 110 HD2 HIS 110 42.349 19.707 -20.034 710 HE1 HIS 110 HE1 HIS 110 41.956 19.433 -15.818 711 HE2 HIS 110 HE2 HIS 110 42.458 20.981 -17.769 712 H HIS 111 H HIS 111 42.150 16.930 -22.376 713 HA HIS 111 HA HIS 111 44.428 18.732 -22.840 714 HB2 HIS 111 HB1 HIS 111 44.364 16.396 -24.088 715 HB3 HIS 111 HB2 HIS 111 43.240 17.251 -25.148 716 HD1 HIS 111 HD1 HIS 111 44.365 18.207 -27.116 717 HD2 HIS 111 HD2 HIS 111 46.849 18.202 -23.787 718 HE1 HIS 111 HE1 HIS 111 46.537 19.202 -27.898 719 HE2 HIS 111 HE2 HIS 111 48.057 19.199 -25.863 720 H HIS 112 H HIS 112 43.904 20.705 -23.573 721 HA HIS 112 HA HIS 112 41.077 21.279 -24.014 722 HB2 HIS 112 HB1 HIS 112 43.069 22.616 -22.642 723 HB3 HIS 112 HB2 HIS 112 42.929 23.542 -24.140 724 HD1 HIS 112 HD1 HIS 112 39.770 23.044 -24.404 725 HD2 HIS 112 HD2 HIS 112 41.792 24.574 -21.112 726 HE1 HIS 112 HE1 HIS 112 38.063 24.375 -23.125 727 HE2 HIS 112 HE2 HIS 112 39.298 25.313 -21.113 Start of MODEL 6 1 H1 MET 18 H MET 18 -30.439 -48.668 13.787 2 HA MET 18 HA MET 18 -28.133 -48.593 12.488 3 HB2 MET 18 HB1 MET 18 -28.610 -49.242 10.108 4 HB3 MET 18 HB2 MET 18 -28.518 -50.594 11.246 5 HG2 MET 18 HG1 MET 18 -31.221 -49.499 10.864 6 HG3 MET 18 HG2 MET 18 -30.495 -50.227 9.429 7 HE1 MET 18 HE1 MET 18 -32.347 -52.782 9.513 8 HE2 MET 18 HE2 MET 18 -30.881 -52.142 8.770 9 HE3 MET 18 HE3 MET 18 -30.836 -53.687 9.621 10 H LEU 19 H LEU 19 -29.621 -46.682 13.512 11 HA LEU 19 HA LEU 19 -30.639 -45.141 11.215 12 HB2 LEU 19 HB1 LEU 19 -31.324 -44.645 14.108 13 HB3 LEU 19 HB2 LEU 19 -32.120 -43.995 12.666 14 HG LEU 19 HG LEU 19 -32.473 -46.697 12.355 15 HD11 LEU 19 HD11 LEU 19 -32.697 -47.793 14.300 16 HD12 LEU 19 HD12 LEU 19 -33.347 -46.386 15.140 17 HD13 LEU 19 HD13 LEU 19 -31.605 -46.552 14.916 18 HD21 LEU 19 HD21 LEU 19 -34.696 -46.192 12.488 19 HD22 LEU 19 HD22 LEU 19 -34.031 -44.568 12.310 20 HD23 LEU 19 HD23 LEU 19 -34.493 -45.163 13.906 21 H VAL 20 H VAL 20 -29.020 -43.865 10.560 22 HA VAL 20 HA VAL 20 -27.536 -42.348 12.607 23 HB VAL 20 HB VAL 20 -25.706 -42.135 11.007 24 HG11 VAL 20 HG11 VAL 20 -25.495 -43.976 12.475 25 HG12 VAL 20 HG12 VAL 20 -26.668 -44.931 11.566 26 HG13 VAL 20 HG13 VAL 20 -25.083 -44.583 10.872 27 HG21 VAL 20 HG21 VAL 20 -27.586 -43.622 9.208 28 HG22 VAL 20 HG22 VAL 20 -26.689 -42.137 8.892 29 HG23 VAL 20 HG23 VAL 20 -25.842 -43.682 8.954 30 H LEU 21 H LEU 21 -27.496 -40.167 12.499 31 HA LEU 21 HA LEU 21 -29.280 -38.902 10.581 32 HB2 LEU 21 HB1 LEU 21 -28.111 -38.206 13.212 33 HB3 LEU 21 HB2 LEU 21 -28.402 -36.860 12.095 34 HG LEU 21 HG LEU 21 -30.602 -38.798 12.688 35 HD11 LEU 21 HD11 LEU 21 -31.014 -38.038 14.752 36 HD12 LEU 21 HD12 LEU 21 -30.558 -36.385 14.343 37 HD13 LEU 21 HD13 LEU 21 -29.313 -37.567 14.748 38 HD21 LEU 21 HD21 LEU 21 -30.972 -35.875 12.402 39 HD22 LEU 21 HD22 LEU 21 -31.963 -37.210 11.812 40 HD23 LEU 21 HD23 LEU 21 -30.480 -36.768 10.964 41 H ASP 22 H ASP 22 -28.683 -37.150 9.257 42 HA ASP 22 HA ASP 22 -25.817 -36.645 8.934 43 HB2 ASP 22 HB1 ASP 22 -26.765 -38.463 7.327 44 HB3 ASP 22 HB2 ASP 22 -27.515 -37.093 6.499 45 HD2 ASP 22 HD ASP 22 -23.648 -37.661 6.084 46 H PHE 23 H PHE 23 -28.106 -35.127 10.005 47 HA PHE 23 HA PHE 23 -28.576 -33.043 8.040 48 HB2 PHE 23 HB1 PHE 23 -30.234 -33.976 9.846 49 HB3 PHE 23 HB2 PHE 23 -29.404 -32.842 10.914 50 HD1 PHE 23 HD1 PHE 23 -29.136 -30.399 9.939 51 HD2 PHE 23 HD2 PHE 23 -32.093 -33.206 8.718 52 HE1 PHE 23 HE1 PHE 23 -30.544 -28.555 9.117 53 HE2 PHE 23 HE2 PHE 23 -33.505 -31.368 7.894 54 HZ PHE 23 HZ PHE 23 -32.730 -29.038 8.093 55 H ASN 24 H ASN 24 -27.408 -31.250 7.847 56 HA ASN 24 HA ASN 24 -26.276 -29.809 9.975 57 HB2 ASN 24 HB1 ASN 24 -24.779 -31.979 9.675 58 HB3 ASN 24 HB2 ASN 24 -24.071 -31.023 8.367 59 HD21 ASN 24 HD21 ASN 24 -22.169 -31.309 9.814 60 HD22 ASN 24 HD22 ASN 24 -21.908 -30.112 11.032 61 H ASN 25 H ASN 25 -26.418 -27.810 9.223 62 HA ASN 25 HA ASN 25 -25.073 -26.920 6.905 63 HB2 ASN 25 HB1 ASN 25 -27.659 -28.009 6.435 64 HB3 ASN 25 HB2 ASN 25 -27.778 -26.256 6.242 65 HD21 ASN 25 HD21 ASN 25 -27.920 -28.409 4.256 66 HD22 ASN 25 HD22 ASN 25 -26.709 -28.042 3.079 67 H ILE 26 H ILE 26 -25.190 -24.637 6.629 68 HA ILE 26 HA ILE 26 -26.752 -23.132 8.581 69 HB ILE 26 HB ILE 26 -24.706 -21.781 9.181 70 HG12 ILE 26 HG11 ILE 26 -22.874 -23.994 8.777 71 HG13 ILE 26 HG12 ILE 26 -23.513 -23.399 7.235 72 HG21 ILE 26 HG21 ILE 26 -23.880 -23.512 10.821 73 HG22 ILE 26 HG22 ILE 26 -25.617 -23.214 10.827 74 HG23 ILE 26 HG23 ILE 26 -24.972 -24.652 10.035 75 HD11 ILE 26 HD11 ILE 26 -22.665 -21.272 9.043 76 HD12 ILE 26 HD12 ILE 26 -21.367 -22.356 8.539 77 HD13 ILE 26 HD13 ILE 26 -22.332 -21.512 7.327 78 H ARG 27 H ARG 27 -27.662 -21.464 7.591 79 HA ARG 27 HA ARG 27 -26.306 -19.634 5.948 80 HB2 ARG 27 HB1 ARG 27 -27.581 -20.138 3.809 81 HB3 ARG 27 HB2 ARG 27 -26.256 -21.240 4.213 82 HG2 ARG 27 HG1 ARG 27 -28.736 -22.180 5.350 83 HG3 ARG 27 HG2 ARG 27 -28.887 -21.920 3.604 84 HD2 ARG 27 HD1 ARG 27 -26.549 -23.168 3.564 85 HD3 ARG 27 HD2 ARG 27 -27.148 -23.815 5.098 86 HE ARG 27 HE ARG 27 -28.626 -25.109 3.932 87 HH11 ARG 27 HH11 ARG 27 -27.471 -22.565 1.855 88 HH12 ARG 27 HH12 ARG 27 -28.239 -23.197 0.436 89 HH21 ARG 27 HH21 ARG 27 -29.643 -25.950 2.071 90 HH22 ARG 27 HH22 ARG 27 -29.475 -25.121 0.560 91 H SER 28 H SER 28 -27.330 -17.838 6.502 92 HA SER 28 HA SER 28 -30.275 -17.868 6.594 93 HB2 SER 28 HB1 SER 28 -29.625 -15.840 8.316 94 HB3 SER 28 HB2 SER 28 -30.017 -17.496 8.813 95 HG SER 28 HG SER 28 -27.650 -16.171 8.958 96 H SER 29 H SER 29 -27.528 -15.590 6.547 97 HA SER 29 HA SER 29 -28.272 -14.399 4.099 98 HB2 SER 29 HB1 SER 29 -29.549 -12.609 4.649 99 HB3 SER 29 HB2 SER 29 -29.940 -13.566 6.089 100 HG SER 29 HG SER 29 -28.816 -11.219 6.054 101 H ALA 30 H ALA 30 -27.127 -12.125 3.929 102 HA ALA 30 HA ALA 30 -24.921 -11.558 5.580 103 HB1 ALA 30 HB1 ALA 30 -23.197 -12.238 3.729 104 HB2 ALA 30 HB2 ALA 30 -23.735 -13.413 4.931 105 HB3 ALA 30 HB3 ALA 30 -24.431 -13.427 3.310 106 H ASP 31 H ASP 31 -25.041 -11.680 2.029 107 HA ASP 31 HA ASP 31 -24.933 -10.045 0.449 108 HB2 ASP 31 HB1 ASP 31 -26.446 -8.402 2.498 109 HB3 ASP 31 HB2 ASP 31 -26.377 -8.112 0.754 110 HD2 ASP 31 HD ASP 31 -28.614 -10.719 0.098 111 H LEU 32 H LEU 32 -24.574 -7.381 0.414 112 HA LEU 32 HA LEU 32 -22.603 -6.507 2.305 113 HB2 LEU 32 HB1 LEU 32 -21.694 -8.054 0.161 114 HB3 LEU 32 HB2 LEU 32 -21.348 -6.376 -0.294 115 HG LEU 32 HG LEU 32 -20.448 -6.573 2.329 116 HD11 LEU 32 HD11 LEU 32 -18.946 -8.509 2.288 117 HD12 LEU 32 HD12 LEU 32 -19.682 -9.041 0.776 118 HD13 LEU 32 HD13 LEU 32 -20.642 -8.991 2.255 119 HD21 LEU 32 HD21 LEU 32 -18.180 -6.812 0.932 120 HD22 LEU 32 HD22 LEU 32 -19.102 -5.311 1.014 121 HD23 LEU 32 HD23 LEU 32 -19.275 -6.378 -0.380 122 H HIS 33 H HIS 33 -22.502 -4.332 2.362 123 HA HIS 33 HA HIS 33 -22.865 -2.626 0.146 124 HB2 HIS 33 HB1 HIS 33 -25.277 -3.633 1.234 125 HB3 HIS 33 HB2 HIS 33 -25.151 -1.948 1.751 126 HD1 HIS 33 HD1 HIS 33 -26.702 -3.696 -0.791 127 HD2 HIS 33 HD2 HIS 33 -24.199 -0.382 -0.802 128 HE1 HIS 33 HE1 HIS 33 -27.147 -2.526 -2.971 129 HE2 HIS 33 HE2 HIS 33 -25.616 -0.500 -2.979 130 H GLY 34 H GLY 34 -21.418 -1.153 0.761 131 HA2 GLY 34 HA2 GLY 34 -21.492 0.929 2.257 132 HA3 GLY 34 HA3 GLY 34 -21.443 -0.244 3.564 133 HA1 GLY 34 HA1 GLY 34 -21.074 0.501 1.608 134 H ALA 35 H ALA 35 -19.580 1.916 2.208 135 HA ALA 35 HA ALA 35 -17.148 0.569 2.947 136 HB1 ALA 35 HB1 ALA 35 -16.881 -0.283 0.860 137 HB2 ALA 35 HB2 ALA 35 -17.856 0.975 0.099 138 HB3 ALA 35 HB3 ALA 35 -16.194 1.316 0.578 139 H ARG 36 H ARG 36 -18.349 3.355 1.068 140 HA ARG 36 HA ARG 36 -17.034 5.156 2.940 141 HB2 ARG 36 HB1 ARG 36 -15.965 6.446 1.123 142 HB3 ARG 36 HB2 ARG 36 -15.307 4.810 1.278 143 HG2 ARG 36 HG1 ARG 36 -15.858 4.277 -0.809 144 HG3 ARG 36 HG2 ARG 36 -17.505 4.895 -0.598 145 HD2 ARG 36 HD1 ARG 36 -16.259 7.239 -0.742 146 HD3 ARG 36 HD2 ARG 36 -15.078 6.267 -1.630 147 HE ARG 36 HE ARG 36 -16.563 6.093 -3.371 148 HH11 ARG 36 HH11 ARG 36 -18.211 7.306 -0.554 149 HH12 ARG 36 HH12 ARG 36 -19.665 7.694 -1.413 150 HH21 ARG 36 HH21 ARG 36 -18.472 6.600 -4.512 151 HH22 ARG 36 HH22 ARG 36 -19.814 7.292 -3.663 152 H LYS 37 H LYS 37 -17.885 7.257 2.948 153 HA LYS 37 HA LYS 37 -20.101 7.840 1.137 154 HB2 LYS 37 HB1 LYS 37 -20.316 7.430 4.093 155 HB3 LYS 37 HB2 LYS 37 -21.331 8.661 3.323 156 HG2 LYS 37 HG1 LYS 37 -22.710 7.147 2.432 157 HG3 LYS 37 HG2 LYS 37 -21.369 6.105 1.923 158 HD2 LYS 37 HD1 LYS 37 -21.150 5.287 4.252 159 HD3 LYS 37 HD2 LYS 37 -22.558 6.270 4.693 160 HE2 LYS 37 HE1 LYS 37 -23.259 3.978 4.321 161 HE3 LYS 37 HE2 LYS 37 -23.915 5.025 3.054 162 HZ1 LYS 37 HZ1 LYS 37 -21.437 4.093 2.175 163 HZ2 LYS 37 HZ2 LYS 37 -22.967 3.725 1.555 164 HZ3 LYS 37 HZ3 LYS 37 -22.290 2.757 2.767 165 H GLY 38 H GLY 38 -18.051 9.194 0.607 166 HA2 GLY 38 HA2 GLY 38 -18.551 11.847 1.678 167 HA3 GLY 38 HA3 GLY 38 -16.945 11.205 1.986 168 HA1 GLY 38 HA1 GLY 38 -18.793 11.406 0.955 169 H SER 39 H SER 39 -15.946 12.808 0.749 170 HA SER 39 HA SER 39 -16.637 13.516 -1.867 171 HB2 SER 39 HB1 SER 39 -13.975 13.594 -0.423 172 HB3 SER 39 HB2 SER 39 -14.239 14.299 -2.027 173 HG SER 39 HG SER 39 -14.843 15.326 0.379 174 H GLN 40 H GLN 40 -13.787 11.570 -0.967 175 HA GLN 40 HA GLN 40 -14.368 9.736 -3.165 176 HB2 GLN 40 HB1 GLN 40 -12.700 11.750 -3.698 177 HB3 GLN 40 HB2 GLN 40 -11.546 10.647 -2.929 178 HG2 GLN 40 HG1 GLN 40 -11.421 10.243 -5.254 179 HG3 GLN 40 HG2 GLN 40 -12.296 8.882 -4.537 180 HE21 GLN 40 HE21 GLN 40 -13.194 12.140 -5.628 181 HE22 GLN 40 HE22 GLN 40 -14.502 11.629 -6.632 182 H CYS 41 H CYS 41 -11.895 10.482 -0.703 183 HA CYS 41 HA CYS 41 -12.247 7.823 0.431 184 HB2 CYS 41 HB1 CYS 41 -9.865 7.297 0.377 185 HB3 CYS 41 HB2 CYS 41 -10.491 7.513 -1.260 186 H LEU 42 H LEU 42 -11.814 7.722 2.594 187 HA LEU 42 HA LEU 42 -11.649 10.191 4.010 188 HB2 LEU 42 HB1 LEU 42 -12.278 7.447 4.580 189 HB3 LEU 42 HB2 LEU 42 -11.130 8.065 5.780 190 HG LEU 42 HG LEU 42 -12.702 9.947 6.227 191 HD11 LEU 42 HD11 LEU 42 -14.592 8.343 4.512 192 HD12 LEU 42 HD12 LEU 42 -13.878 9.895 4.075 193 HD13 LEU 42 HD13 LEU 42 -14.988 9.790 5.440 194 HD21 LEU 42 HD21 LEU 42 -12.726 7.367 7.171 195 HD22 LEU 42 HD22 LEU 42 -14.415 7.648 6.750 196 HD23 LEU 42 HD23 LEU 42 -13.595 8.732 7.875 197 H SER 43 H SER 43 -9.389 7.616 3.247 198 HA SER 43 HA SER 43 -7.139 9.296 3.683 199 HB2 SER 43 HB1 SER 43 -6.229 8.512 5.657 200 HB3 SER 43 HB2 SER 43 -7.958 8.446 6.045 201 HG SER 43 HG SER 43 -6.487 6.489 6.391 202 H ASP 44 H ASP 44 -5.114 7.538 3.979 203 HA ASP 44 HA ASP 44 -4.930 6.333 1.443 204 HB2 ASP 44 HB1 ASP 44 -2.799 5.456 2.175 205 HB3 ASP 44 HB2 ASP 44 -2.984 7.105 2.788 206 HD2 ASP 44 HD ASP 44 -2.178 4.425 5.376 207 H THR 45 H THR 45 -6.084 5.166 4.494 208 HA THR 45 HA THR 45 -5.802 2.410 4.162 209 HB THR 45 HB THR 45 -7.671 2.165 5.738 210 HG1 THR 45 HG1 THR 45 -8.459 4.393 6.492 211 HG21 THR 45 HG21 THR 45 -5.791 2.543 6.983 212 HG22 THR 45 HG22 THR 45 -6.728 3.962 7.452 213 HG23 THR 45 HG23 THR 45 -5.470 4.103 6.225 214 H ASP 46 H ASP 46 -8.014 4.652 2.700 215 HA ASP 46 HA ASP 46 -9.932 2.720 1.841 216 HB2 ASP 46 HB1 ASP 46 -9.634 5.562 1.757 217 HB3 ASP 46 HB2 ASP 46 -9.958 4.986 0.117 218 HD2 ASP 46 HD ASP 46 -13.080 3.620 1.251 219 H CYS 47 H CYS 47 -6.909 3.895 0.611 220 HA CYS 47 HA CYS 47 -7.354 2.537 -1.952 221 HB2 CYS 47 HB1 CYS 47 -6.286 4.993 -1.448 222 HB3 CYS 47 HB2 CYS 47 -4.828 4.003 -1.527 223 H ASN 48 H ASN 48 -6.963 1.010 0.434 224 HA ASN 48 HA ASN 48 -5.767 -0.754 1.232 225 HB2 ASN 48 HB1 ASN 48 -4.338 -0.812 -1.425 226 HB3 ASN 48 HB2 ASN 48 -4.731 -2.168 -0.361 227 HD21 ASN 48 HD21 ASN 48 -7.192 -2.296 0.104 228 HD22 ASN 48 HD22 ASN 48 -8.200 -2.211 -1.297 229 H THR 49 H THR 49 -3.248 -1.665 1.024 230 HA THR 49 HA THR 49 -1.710 0.527 2.181 231 HB THR 49 HB THR 49 -1.850 -1.601 3.423 232 HG1 THR 49 HG1 THR 49 0.811 -1.232 2.497 233 HG21 THR 49 HG21 THR 49 -0.514 -3.536 2.563 234 HG22 THR 49 HG22 THR 49 -0.406 -2.703 1.013 235 HG23 THR 49 HG23 THR 49 -1.977 -3.201 1.639 236 H ARG 50 H ARG 50 -1.813 -1.458 -0.654 237 HA ARG 50 HA ARG 50 0.863 -1.148 -1.505 238 HB2 ARG 50 HB1 ARG 50 -1.620 -1.550 -3.193 239 HB3 ARG 50 HB2 ARG 50 0.049 -1.843 -3.701 240 HG2 ARG 50 HG1 ARG 50 0.222 -3.565 -1.885 241 HG3 ARG 50 HG2 ARG 50 -1.520 -3.361 -1.635 242 HD2 ARG 50 HD1 ARG 50 -0.153 -4.265 -4.180 243 HD3 ARG 50 HD2 ARG 50 -1.120 -5.258 -3.080 244 HE ARG 50 HE ARG 50 -2.806 -3.248 -3.835 245 HH11 ARG 50 HH11 ARG 50 -0.903 -5.631 -5.513 246 HH12 ARG 50 HH12 ARG 50 -1.991 -5.746 -6.856 247 HH21 ARG 50 HH21 ARG 50 -4.248 -3.390 -5.598 248 HH22 ARG 50 HH22 ARG 50 -3.893 -4.470 -6.903 249 H LYS 51 H LYS 51 -2.081 0.714 -2.148 250 HA LYS 51 HA LYS 51 -0.398 2.820 -3.341 251 HB2 LYS 51 HB1 LYS 51 -3.331 2.248 -3.834 252 HB3 LYS 51 HB2 LYS 51 -2.389 3.548 -4.582 253 HG2 LYS 51 HG1 LYS 51 -0.970 1.915 -5.702 254 HG3 LYS 51 HG2 LYS 51 -1.877 0.600 -4.933 255 HD2 LYS 51 HD1 LYS 51 -3.952 1.757 -6.035 256 HD3 LYS 51 HD2 LYS 51 -2.732 2.477 -7.098 257 HE2 LYS 51 HE1 LYS 51 -2.838 0.617 -8.331 258 HE3 LYS 51 HE2 LYS 51 -2.036 -0.207 -6.985 259 HZ1 LYS 51 HZ1 LYS 51 -4.635 -0.596 -7.958 260 HZ2 LYS 51 HZ2 LYS 51 -4.752 -0.025 -6.370 261 HZ3 LYS 51 HZ3 LYS 51 -3.850 -1.417 -6.704 262 H PHE 52 H PHE 52 -1.422 5.049 -3.114 263 HA PHE 52 HA PHE 52 -2.717 5.339 -0.489 264 HB2 PHE 52 HB1 PHE 52 -1.317 7.417 -0.166 265 HB3 PHE 52 HB2 PHE 52 -0.436 5.891 -0.074 266 HD1 PHE 52 HD1 PHE 52 -1.310 8.564 -2.512 267 HD2 PHE 52 HD2 PHE 52 1.489 5.593 -1.309 268 HE1 PHE 52 HE1 PHE 52 0.254 9.341 -4.245 269 HE2 PHE 52 HE2 PHE 52 3.057 6.365 -3.040 270 HZ PHE 52 HZ PHE 52 2.442 8.242 -4.510 271 H CYS 53 H CYS 53 -3.613 7.605 -0.199 272 HA CYS 53 HA CYS 53 -5.043 8.323 -2.647 273 HB2 CYS 53 HB1 CYS 53 -5.650 8.330 0.207 274 HB3 CYS 53 HB2 CYS 53 -6.085 9.853 -0.573 275 H LEU 54 H LEU 54 -3.952 9.767 -3.834 276 HA LEU 54 HA LEU 54 -2.399 11.867 -2.568 277 HB2 LEU 54 HB1 LEU 54 -1.477 10.720 -4.507 278 HB3 LEU 54 HB2 LEU 54 -2.880 11.212 -5.471 279 HG LEU 54 HG LEU 54 -1.829 13.607 -4.537 280 HD11 LEU 54 HD11 LEU 54 0.205 12.630 -3.791 281 HD12 LEU 54 HD12 LEU 54 0.547 13.441 -5.321 282 HD13 LEU 54 HD13 LEU 54 0.369 11.686 -5.273 283 HD21 LEU 54 HD21 LEU 54 -1.168 13.918 -6.889 284 HD22 LEU 54 HD22 LEU 54 -2.790 13.242 -6.729 285 HD23 LEU 54 HD23 LEU 54 -1.438 12.199 -7.175 286 H GLN 55 H GLN 55 -3.004 13.934 -2.339 287 HA GLN 55 HA GLN 55 -5.487 14.800 -3.666 288 HB2 GLN 55 HB1 GLN 55 -5.820 16.266 -1.609 289 HB3 GLN 55 HB2 GLN 55 -6.093 14.529 -1.403 290 HG2 GLN 55 HG1 GLN 55 -3.349 15.432 -0.836 291 HG3 GLN 55 HG2 GLN 55 -4.598 16.049 0.254 292 HE21 GLN 55 HE21 GLN 55 -6.174 14.321 1.016 293 HE22 GLN 55 HE22 GLN 55 -5.476 12.820 1.509 294 HA PRO 56 HA PRO 56 -2.198 17.694 -5.002 295 HB2 PRO 56 HB1 PRO 56 -3.313 18.163 -7.458 296 HB3 PRO 56 HB2 PRO 56 -2.279 16.780 -7.108 297 HG2 PRO 56 HG1 PRO 56 -5.273 16.948 -7.167 298 HG3 PRO 56 HG2 PRO 56 -4.188 15.692 -7.870 299 HD2 PRO 56 HD1 PRO 56 -5.525 15.332 -5.535 300 HD3 PRO 56 HD2 PRO 56 -3.920 14.643 -5.836 301 H ARG 57 H ARG 57 -2.244 19.942 -5.248 302 HA ARG 57 HA ARG 57 -4.598 21.220 -4.162 303 HB2 ARG 57 HB1 ARG 57 -1.887 21.705 -3.987 304 HB3 ARG 57 HB2 ARG 57 -2.449 22.978 -5.080 305 HG2 ARG 57 HG1 ARG 57 -4.280 23.393 -3.299 306 HG3 ARG 57 HG2 ARG 57 -3.199 22.482 -2.231 307 HD2 ARG 57 HD1 ARG 57 -1.731 24.176 -2.063 308 HD3 ARG 57 HD2 ARG 57 -1.826 24.531 -3.794 309 HE ARG 57 HE ARG 57 -3.327 25.789 -1.681 310 HH11 ARG 57 HH11 ARG 57 -3.182 25.091 -5.089 311 HH12 ARG 57 HH12 ARG 57 -4.198 26.421 -5.537 312 HH21 ARG 57 HH21 ARG 57 -4.665 27.543 -2.259 313 HH22 ARG 57 HH22 ARG 57 -5.040 27.815 -3.926 314 H ASP 58 H ASP 58 -2.760 21.286 -7.187 315 HA ASP 58 HA ASP 58 -4.485 23.222 -8.415 316 HB2 ASP 58 HB1 ASP 58 -2.013 21.834 -9.072 317 HB3 ASP 58 HB2 ASP 58 -3.114 21.904 -10.454 318 HD2 ASP 58 HD ASP 58 -2.451 25.219 -10.966 319 H GLU 59 H GLU 59 -4.468 19.795 -8.058 320 HA GLU 59 HA GLU 59 -6.717 19.595 -9.954 321 HB2 GLU 59 HB1 GLU 59 -4.523 17.636 -9.301 322 HB3 GLU 59 HB2 GLU 59 -6.043 17.117 -10.041 323 HG2 GLU 59 HG1 GLU 59 -5.286 17.656 -12.045 324 HG3 GLU 59 HG2 GLU 59 -5.070 19.331 -11.518 325 HE2 GLU 59 HE GLU 59 -1.861 16.994 -11.238 326 H LYS 60 H LYS 60 -7.909 17.349 -9.378 327 HA LYS 60 HA LYS 60 -8.886 17.752 -6.662 328 HB2 LYS 60 HB1 LYS 60 -9.933 16.469 -9.142 329 HB3 LYS 60 HB2 LYS 60 -10.527 15.867 -7.585 330 HG2 LYS 60 HG1 LYS 60 -10.843 18.491 -7.163 331 HG3 LYS 60 HG2 LYS 60 -11.010 18.452 -8.926 332 HD2 LYS 60 HD1 LYS 60 -12.691 16.582 -8.615 333 HD3 LYS 60 HD2 LYS 60 -12.645 16.958 -6.884 334 HE2 LYS 60 HE1 LYS 60 -13.371 19.248 -7.329 335 HE3 LYS 60 HE2 LYS 60 -13.358 18.916 -9.067 336 HZ1 LYS 60 HZ1 LYS 60 -15.219 17.913 -7.014 337 HZ2 LYS 60 HZ2 LYS 60 -15.000 17.051 -8.452 338 HZ3 LYS 60 HZ3 LYS 60 -15.564 18.645 -8.500 339 HA PRO 61 HA PRO 61 -7.092 14.172 -4.870 340 HB2 PRO 61 HB1 PRO 61 -9.116 13.220 -3.289 341 HB3 PRO 61 HB2 PRO 61 -8.212 14.692 -2.933 342 HG2 PRO 61 HG1 PRO 61 -10.875 14.372 -4.279 343 HG3 PRO 61 HG2 PRO 61 -10.379 15.533 -2.991 344 HD2 PRO 61 HD1 PRO 61 -10.573 16.240 -5.605 345 HD3 PRO 61 HD2 PRO 61 -9.368 16.939 -4.511 346 H PHE 62 H PHE 62 -6.890 11.960 -5.096 347 HA PHE 62 HA PHE 62 -8.974 10.285 -6.072 348 HB2 PHE 62 HB1 PHE 62 -7.792 9.707 -8.241 349 HB3 PHE 62 HB2 PHE 62 -8.610 11.271 -8.201 350 HD1 PHE 62 HD1 PHE 62 -5.241 9.834 -7.487 351 HD2 PHE 62 HD2 PHE 62 -7.498 13.111 -8.998 352 HE1 PHE 62 HE1 PHE 62 -3.157 10.966 -8.140 353 HE2 PHE 62 HE2 PHE 62 -5.417 14.247 -9.653 354 HZ PHE 62 HZ PHE 62 -3.242 13.175 -9.225 355 H CYS 63 H CYS 63 -7.845 8.132 -6.962 356 HA CYS 63 HA CYS 63 -5.961 7.377 -4.858 357 HB2 CYS 63 HB1 CYS 63 -8.111 6.055 -6.298 358 HB3 CYS 63 HB2 CYS 63 -6.632 5.092 -6.321 359 H ALA 64 H ALA 64 -3.874 7.468 -5.327 360 HA ALA 64 HA ALA 64 -3.013 6.755 -8.056 361 HB1 ALA 64 HB1 ALA 64 -0.935 8.220 -7.141 362 HB2 ALA 64 HB2 ALA 64 -2.275 8.881 -8.079 363 HB3 ALA 64 HB3 ALA 64 -2.280 9.013 -6.321 364 H THR 65 H THR 65 -0.926 5.725 -8.238 365 HA THR 65 HA THR 65 -0.426 3.929 -5.987 366 HB THR 65 HB THR 65 -0.765 2.944 -8.235 367 HG1 THR 65 HG1 THR 65 0.890 1.486 -7.984 368 HG21 THR 65 HG21 THR 65 0.319 3.647 -10.060 369 HG22 THR 65 HG22 THR 65 1.882 3.560 -9.249 370 HG23 THR 65 HG23 THR 65 0.886 5.006 -9.090 371 H CYS 66 H CYS 66 1.957 3.258 -5.748 372 HA CYS 66 HA CYS 66 3.419 5.414 -4.768 373 HB2 CYS 66 HB1 CYS 66 5.250 3.886 -4.469 374 HB3 CYS 66 HB2 CYS 66 3.749 3.028 -4.121 375 H ARG 67 H ARG 67 5.766 5.854 -5.498 376 HA ARG 67 HA ARG 67 5.669 6.508 -8.360 377 HB2 ARG 67 HB1 ARG 67 7.246 7.714 -6.078 378 HB3 ARG 67 HB2 ARG 67 7.466 8.164 -7.775 379 HG2 ARG 67 HG1 ARG 67 4.759 8.448 -7.458 380 HG3 ARG 67 HG2 ARG 67 5.394 8.956 -5.884 381 HD2 ARG 67 HD1 ARG 67 7.038 10.419 -7.173 382 HD3 ARG 67 HD2 ARG 67 6.045 10.077 -8.598 383 HE ARG 67 HE ARG 67 4.358 10.990 -6.564 384 HH11 ARG 67 HH11 ARG 67 6.932 12.160 -8.595 385 HH12 ARG 67 HH12 ARG 67 6.367 13.799 -8.587 386 HH21 ARG 67 HH21 ARG 67 3.605 13.143 -6.547 387 HH22 ARG 67 HH22 ARG 67 4.476 14.356 -7.421 388 H GLY 68 H GLY 68 7.860 6.587 -9.450 389 HA2 GLY 68 HA2 GLY 68 9.058 4.002 -9.253 390 HA3 GLY 68 HA3 GLY 68 9.566 5.305 -10.318 391 HA1 GLY 68 HA1 GLY 68 8.970 4.418 -8.481 392 H LEU 69 H LEU 69 11.699 4.307 -9.677 393 HA LEU 69 HA LEU 69 12.667 4.839 -7.027 394 HB2 LEU 69 HB1 LEU 69 14.053 4.009 -9.579 395 HB3 LEU 69 HB2 LEU 69 14.877 4.201 -8.022 396 HG LEU 69 HG LEU 69 12.739 2.183 -8.693 397 HD11 LEU 69 HD11 LEU 69 14.741 0.679 -7.961 398 HD12 LEU 69 HD12 LEU 69 15.705 2.088 -8.403 399 HD13 LEU 69 HD13 LEU 69 14.665 1.321 -9.602 400 HD21 LEU 69 HD21 LEU 69 13.538 1.339 -6.348 401 HD22 LEU 69 HD22 LEU 69 12.291 2.579 -6.475 402 HD23 LEU 69 HD23 LEU 69 13.954 3.035 -6.107 403 H ARG 70 H ARG 70 13.537 6.126 -10.241 404 HA ARG 70 HA ARG 70 15.239 8.143 -9.392 405 HB2 ARG 70 HB1 ARG 70 13.421 7.949 -11.795 406 HB3 ARG 70 HB2 ARG 70 14.545 9.296 -11.558 407 HG2 ARG 70 HG1 ARG 70 15.477 6.436 -11.543 408 HG3 ARG 70 HG2 ARG 70 15.315 7.375 -13.037 409 HD2 ARG 70 HD1 ARG 70 16.797 8.661 -10.806 410 HD3 ARG 70 HD2 ARG 70 17.576 7.289 -11.605 411 HE ARG 70 HE ARG 70 16.620 9.065 -13.563 412 HH11 ARG 70 HH11 ARG 70 19.072 8.843 -11.100 413 HH12 ARG 70 HH12 ARG 70 20.174 9.900 -11.919 414 HH21 ARG 70 HH21 ARG 70 18.063 10.457 -14.650 415 HH22 ARG 70 HH22 ARG 70 19.599 10.819 -13.936 416 H ARG 71 H ARG 71 11.772 7.983 -9.325 417 HA ARG 71 HA ARG 71 11.135 10.699 -9.168 418 HB2 ARG 71 HB1 ARG 71 9.814 8.177 -8.720 419 HB3 ARG 71 HB2 ARG 71 9.360 9.334 -7.459 420 HG2 ARG 71 HG1 ARG 71 7.803 9.377 -9.351 421 HG3 ARG 71 HG2 ARG 71 8.631 10.927 -9.128 422 HD2 ARG 71 HD1 ARG 71 10.193 10.388 -10.927 423 HD3 ARG 71 HD2 ARG 71 9.422 8.808 -11.123 424 HE ARG 71 HE ARG 71 8.508 11.299 -12.170 425 HH11 ARG 71 HH11 ARG 71 7.455 8.199 -10.985 426 HH12 ARG 71 HH12 ARG 71 5.979 8.209 -11.891 427 HH21 ARG 71 HH21 ARG 71 6.568 11.321 -13.370 428 HH22 ARG 71 HH22 ARG 71 5.476 9.984 -13.248 429 H ARG 72 H ARG 72 10.847 12.114 -7.447 430 HA ARG 72 HA ARG 72 12.635 11.702 -5.229 431 HB2 ARG 72 HB1 ARG 72 10.763 13.985 -5.902 432 HB3 ARG 72 HB2 ARG 72 11.929 13.995 -4.569 433 HG2 ARG 72 HG1 ARG 72 13.194 13.305 -7.086 434 HG3 ARG 72 HG2 ARG 72 12.370 14.871 -7.155 435 HD2 ARG 72 HD1 ARG 72 13.583 15.121 -4.764 436 HD3 ARG 72 HD2 ARG 72 14.719 14.030 -5.569 437 HE ARG 72 HE ARG 72 15.391 15.765 -6.896 438 HH11 ARG 72 HH11 ARG 72 12.346 16.581 -5.418 439 HH12 ARG 72 HH12 ARG 72 12.360 18.218 -5.985 440 HH21 ARG 72 HH21 ARG 72 15.421 17.918 -7.649 441 HH22 ARG 72 HH22 ARG 72 14.110 18.977 -7.255 442 H CYS 73 H CYS 73 12.048 11.835 -3.002 443 HA CYS 73 HA CYS 73 9.235 11.434 -2.340 444 HB2 CYS 73 HB1 CYS 73 9.799 9.455 -0.925 445 HB3 CYS 73 HB2 CYS 73 9.971 9.167 -2.656 446 H GLN 74 H GLN 74 8.779 11.676 -0.065 447 HA GLN 74 HA GLN 74 10.843 13.258 1.321 448 HB2 GLN 74 HB1 GLN 74 7.932 13.624 0.953 449 HB3 GLN 74 HB2 GLN 74 8.548 13.969 2.577 450 HG2 GLN 74 HG1 GLN 74 8.797 16.032 1.678 451 HG3 GLN 74 HG2 GLN 74 10.351 15.334 1.202 452 HE21 GLN 74 HE21 GLN 74 10.691 14.732 -0.944 453 HE22 GLN 74 HE22 GLN 74 9.688 15.316 -2.225 454 H ARG 75 H ARG 75 8.637 10.593 1.530 455 HA ARG 75 HA ARG 75 9.671 10.002 4.223 456 HB2 ARG 75 HB1 ARG 75 7.115 10.750 3.826 457 HB3 ARG 75 HB2 ARG 75 6.963 9.011 3.533 458 HG2 ARG 75 HG1 ARG 75 8.474 9.144 5.848 459 HG3 ARG 75 HG2 ARG 75 7.285 10.445 6.028 460 HD2 ARG 75 HD1 ARG 75 5.498 9.016 6.072 461 HD3 ARG 75 HD2 ARG 75 6.306 7.823 5.045 462 HE ARG 75 HE ARG 75 7.020 6.771 6.933 463 HH11 ARG 75 HH11 ARG 75 6.290 10.082 7.724 464 HH12 ARG 75 HH12 ARG 75 6.577 9.877 9.420 465 HH21 ARG 75 HH21 ARG 75 7.402 6.488 9.164 466 HH22 ARG 75 HH22 ARG 75 7.211 7.833 10.238 467 H ASP 76 H ASP 76 9.221 7.610 4.775 468 HA ASP 76 HA ASP 76 10.425 6.034 2.687 469 HB2 ASP 76 HB1 ASP 76 11.160 5.729 4.988 470 HB3 ASP 76 HB2 ASP 76 9.517 5.293 5.475 471 HD2 ASP 76 HD ASP 76 10.839 2.095 5.033 472 H ALA 77 H ALA 77 7.345 6.005 4.454 473 HA ALA 77 HA ALA 77 6.245 3.780 3.105 474 HB1 ALA 77 HB1 ALA 77 5.406 5.657 5.100 475 HB2 ALA 77 HB2 ALA 77 4.125 5.437 3.906 476 HB3 ALA 77 HB3 ALA 77 4.788 4.041 4.757 477 H MET 78 H MET 78 6.533 7.132 2.274 478 HA MET 78 HA MET 78 4.469 7.479 0.464 479 HB2 MET 78 HB1 MET 78 7.163 8.653 0.850 480 HB3 MET 78 HB2 MET 78 6.427 8.893 -0.743 481 HG2 MET 78 HG1 MET 78 5.043 9.579 1.848 482 HG3 MET 78 HG2 MET 78 6.018 10.720 0.918 483 HE1 MET 78 HE1 MET 78 4.646 10.278 -2.464 484 HE2 MET 78 HE2 MET 78 4.324 11.896 -1.840 485 HE3 MET 78 HE3 MET 78 5.822 11.068 -1.413 486 H CYS 79 H CYS 79 7.406 5.641 0.149 487 HA CYS 79 HA CYS 79 6.906 5.194 -2.703 488 HB2 CYS 79 HB1 CYS 79 9.239 5.671 -1.423 489 HB3 CYS 79 HB2 CYS 79 9.224 3.907 -1.381 490 H CYS 80 H CYS 80 6.990 2.999 -3.545 491 HA CYS 80 HA CYS 80 5.182 1.277 -2.366 492 HB2 CYS 80 HB1 CYS 80 7.124 1.131 -4.570 493 HB3 CYS 80 HB2 CYS 80 6.729 -0.433 -3.856 494 HA PRO 81 HA PRO 81 7.239 -1.009 0.762 495 HB2 PRO 81 HB1 PRO 81 6.248 -3.537 0.400 496 HB3 PRO 81 HB2 PRO 81 5.294 -2.200 1.040 497 HG2 PRO 81 HG1 PRO 81 5.436 -3.265 -1.760 498 HG3 PRO 81 HG2 PRO 81 3.989 -2.809 -0.785 499 HD2 PRO 81 HD1 PRO 81 5.028 -1.195 -2.705 500 HD3 PRO 81 HD2 PRO 81 4.273 -0.566 -1.232 501 H GLY 82 H GLY 82 9.327 -1.538 0.822 502 HA2 GLY 82 HA2 GLY 82 10.968 -3.307 0.465 503 HA3 GLY 82 HA3 GLY 82 10.331 -3.480 -1.164 504 HA1 GLY 82 HA1 GLY 82 10.880 -2.442 0.607 505 H THR 83 H THR 83 10.776 -0.315 0.174 506 HA THR 83 HA THR 83 13.357 0.011 -1.153 507 HB THR 83 HB THR 83 12.270 2.283 -2.040 508 HG1 THR 83 HG1 THR 83 10.125 0.516 -2.508 509 HG21 THR 83 HG21 THR 83 13.011 1.334 -3.914 510 HG22 THR 83 HG22 THR 83 11.526 0.388 -4.001 511 HG23 THR 83 HG23 THR 83 12.937 -0.260 -3.164 512 H LEU 84 H LEU 84 14.121 2.379 -0.827 513 HA LEU 84 HA LEU 84 13.200 3.451 1.740 514 HB2 LEU 84 HB1 LEU 84 15.556 1.951 1.422 515 HB3 LEU 84 HB2 LEU 84 16.063 3.644 1.545 516 HG LEU 84 HG LEU 84 16.134 2.633 3.725 517 HD11 LEU 84 HD11 LEU 84 13.690 4.385 3.608 518 HD12 LEU 84 HD12 LEU 84 15.340 4.991 3.473 519 HD13 LEU 84 HD13 LEU 84 14.814 4.188 4.952 520 HD21 LEU 84 HD21 LEU 84 13.380 2.192 4.276 521 HD22 LEU 84 HD22 LEU 84 14.715 1.041 4.331 522 HD23 LEU 84 HD23 LEU 84 13.815 1.275 2.832 523 H CYS 85 H CYS 85 13.387 5.650 1.957 524 HA CYS 85 HA CYS 85 13.813 7.130 -0.485 525 HB2 CYS 85 HB1 CYS 85 11.983 7.532 1.291 526 HB3 CYS 85 HB2 CYS 85 13.252 8.340 2.213 527 H VAL 86 H VAL 86 15.905 7.365 -1.036 528 HA VAL 86 HA VAL 86 17.747 8.421 1.010 529 HB VAL 86 HB VAL 86 18.436 6.840 -1.472 530 HG11 VAL 86 HG11 VAL 86 20.720 6.844 -0.587 531 HG12 VAL 86 HG12 VAL 86 20.151 8.482 -0.917 532 HG13 VAL 86 HG13 VAL 86 20.202 7.883 0.742 533 HG21 VAL 86 HG21 VAL 86 19.260 5.679 1.032 534 HG22 VAL 86 HG22 VAL 86 17.517 5.942 1.010 535 HG23 VAL 86 HG23 VAL 86 18.281 4.982 -0.258 536 H ASN 87 H ASN 87 18.675 10.348 0.667 537 HA ASN 87 HA ASN 87 19.079 12.389 -0.255 538 HB2 ASN 87 HB1 ASN 87 20.342 10.585 -1.796 539 HB3 ASN 87 HB2 ASN 87 19.250 11.272 -3.004 540 HD21 ASN 87 HD21 ASN 87 22.193 11.439 -2.647 541 HD22 ASN 87 HD22 ASN 87 22.550 13.130 -2.658 542 H ASP 88 H ASP 88 16.356 11.685 -0.003 543 HA ASP 88 HA ASP 88 14.290 12.432 -0.595 544 HB2 ASP 88 HB1 ASP 88 15.736 14.338 -2.450 545 HB3 ASP 88 HB2 ASP 88 14.114 14.525 -1.772 546 HD2 ASP 88 HD ASP 88 15.568 15.205 1.438 547 H VAL 89 H VAL 89 15.688 10.321 -2.147 548 HA VAL 89 HA VAL 89 13.878 10.340 -4.451 549 HB VAL 89 HB VAL 89 16.806 9.618 -4.641 550 HG11 VAL 89 HG11 VAL 89 14.512 9.370 -6.554 551 HG12 VAL 89 HG12 VAL 89 16.172 9.523 -7.131 552 HG13 VAL 89 HG13 VAL 89 15.716 8.164 -6.103 553 HG21 VAL 89 HG21 VAL 89 16.885 11.901 -4.750 554 HG22 VAL 89 HG22 VAL 89 16.560 11.532 -6.443 555 HG23 VAL 89 HG23 VAL 89 15.245 12.039 -5.383 556 H CYS 90 H CYS 90 13.018 8.377 -4.959 557 HA CYS 90 HA CYS 90 13.034 6.345 -3.015 558 HB2 CYS 90 HB1 CYS 90 11.965 6.604 -5.801 559 HB3 CYS 90 HB2 CYS 90 11.977 5.013 -5.036 560 H THR 91 H THR 91 14.818 5.221 -2.553 561 HA THR 91 HA THR 91 16.326 4.041 -4.794 562 HB THR 91 HB THR 91 17.385 4.816 -2.069 563 HG1 THR 91 HG1 THR 91 18.629 6.310 -3.401 564 HG21 THR 91 HG21 THR 91 18.735 3.037 -2.618 565 HG22 THR 91 HG22 THR 91 19.595 4.348 -3.427 566 HG23 THR 91 HG23 THR 91 18.537 3.283 -4.352 567 H THR 92 H THR 92 16.585 1.885 -4.822 568 HA THR 92 HA THR 92 14.999 0.190 -3.300 569 HB THR 92 HB THR 92 16.530 -1.652 -4.103 570 HG1 THR 92 HG1 THR 92 18.075 -0.886 -5.733 571 HG21 THR 92 HG21 THR 92 14.585 -0.370 -5.405 572 HG22 THR 92 HG22 THR 92 15.524 -1.664 -6.149 573 HG23 THR 92 HG23 THR 92 15.927 0.021 -6.479 574 H MET 93 H MET 93 15.467 -1.302 -1.637 575 HA MET 93 HA MET 93 17.135 -0.275 0.423 576 HB2 MET 93 HB1 MET 93 14.949 -1.788 0.474 577 HB3 MET 93 HB2 MET 93 16.152 -3.086 0.528 578 HG2 MET 93 HG1 MET 93 17.200 -1.902 2.492 579 HG3 MET 93 HG2 MET 93 15.787 -0.845 2.493 580 HE1 MET 93 HE1 MET 93 13.279 -1.754 3.656 581 HE2 MET 93 HE2 MET 93 13.942 -2.457 5.132 582 HE3 MET 93 HE3 MET 93 14.711 -1.045 4.403 583 H GLU 94 H GLU 94 17.522 -2.717 -2.037 584 HA GLU 94 HA GLU 94 19.714 -4.096 -0.931 585 HB2 GLU 94 HB1 GLU 94 18.710 -3.716 -3.745 586 HB3 GLU 94 HB2 GLU 94 20.188 -4.631 -3.410 587 HG2 GLU 94 HG1 GLU 94 18.914 -6.149 -1.953 588 HG3 GLU 94 HG2 GLU 94 17.440 -5.257 -2.355 589 HE2 GLU 94 HE GLU 94 18.699 -7.984 -4.842 590 H ASP 95 H ASP 95 19.454 -1.063 -2.603 591 HA ASP 95 HA ASP 95 22.321 -0.867 -3.038 592 HB2 ASP 95 HB1 ASP 95 20.011 0.310 -4.200 593 HB3 ASP 95 HB2 ASP 95 20.965 1.618 -3.486 594 HD2 ASP 95 HD ASP 95 23.603 1.088 -5.721 595 H ALA 96 H ALA 96 19.819 0.644 -1.042 596 HA ALA 96 HA ALA 96 21.392 2.586 0.202 597 HB1 ALA 96 HB1 ALA 96 19.318 1.281 1.852 598 HB2 ALA 96 HB2 ALA 96 19.586 2.989 1.503 599 HB3 ALA 96 HB3 ALA 96 18.790 1.959 0.312 600 H THR 97 H THR 97 22.062 2.596 2.513 601 HA THR 97 HA THR 97 23.461 1.840 4.144 602 HB THR 97 HB THR 97 22.119 -0.837 3.751 603 HG1 THR 97 HG1 THR 97 20.407 0.416 4.152 604 HG21 THR 97 HG21 THR 97 23.812 -1.204 5.279 605 HG22 THR 97 HG22 THR 97 22.484 -0.740 6.343 606 HG23 THR 97 HG23 THR 97 23.729 0.436 5.922 607 H GLU 98 H GLU 98 25.180 2.111 2.488 608 HA GLU 98 HA GLU 98 26.187 -0.100 1.036 609 HB2 GLU 98 HB1 GLU 98 27.580 2.430 1.945 610 HB3 GLU 98 HB2 GLU 98 28.214 1.288 0.749 611 HG2 GLU 98 HG1 GLU 98 26.865 2.025 -0.898 612 HG3 GLU 98 HG2 GLU 98 25.518 2.333 0.207 613 HE2 GLU 98 HE GLU 98 26.770 5.563 0.936 614 H ASN 99 H ASN 99 27.163 -1.847 1.790 615 HA ASN 99 HA ASN 99 28.734 -1.625 4.273 616 HB2 ASN 99 HB1 ASN 99 28.094 -4.053 4.663 617 HB3 ASN 99 HB2 ASN 99 26.799 -2.867 4.869 618 HD21 ASN 99 HD21 ASN 99 25.220 -4.432 4.520 619 HD22 ASN 99 HD22 ASN 99 24.883 -5.053 2.944 620 H LEU 100 H LEU 100 30.437 -3.276 4.493 621 HA LEU 100 HA LEU 100 31.359 -4.470 1.997 622 HB2 LEU 100 HB1 LEU 100 32.676 -2.231 3.443 623 HB3 LEU 100 HB2 LEU 100 33.714 -3.518 2.804 624 HG LEU 100 HG LEU 100 31.739 -2.273 0.960 625 HD11 LEU 100 HD11 LEU 100 34.134 -0.812 0.724 626 HD12 LEU 100 HD12 LEU 100 33.654 -0.740 2.420 627 HD13 LEU 100 HD13 LEU 100 32.533 -0.216 1.164 628 HD21 LEU 100 HD21 LEU 100 33.059 -4.099 0.141 629 HD22 LEU 100 HD22 LEU 100 34.546 -3.340 0.708 630 HD23 LEU 100 HD23 LEU 100 33.634 -2.614 -0.616 631 H TYR 101 H TYR 101 32.944 -6.117 2.286 632 HA TYR 101 HA TYR 101 32.627 -7.551 4.748 633 HB2 TYR 101 HB1 TYR 101 33.074 -8.304 2.169 634 HB3 TYR 101 HB2 TYR 101 34.695 -8.466 2.851 635 HD1 TYR 101 HD1 TYR 101 35.238 -10.593 3.529 636 HD2 TYR 101 HD2 TYR 101 31.219 -9.275 3.987 637 HE1 TYR 101 HE1 TYR 101 34.642 -12.771 4.504 638 HE2 TYR 101 HE2 TYR 101 30.611 -11.449 4.964 639 HH TYR 101 HH TYR 101 31.317 -13.625 5.198 640 H PHE 102 H PHE 102 34.831 -8.702 5.492 641 HA PHE 102 HA PHE 102 36.887 -6.633 5.838 642 HB2 PHE 102 HB1 PHE 102 35.171 -7.815 7.892 643 HB3 PHE 102 HB2 PHE 102 36.889 -7.975 8.260 644 HD1 PHE 102 HD1 PHE 102 38.207 -6.122 8.908 645 HD2 PHE 102 HD2 PHE 102 34.214 -5.540 7.559 646 HE1 PHE 102 HE1 PHE 102 38.283 -3.794 9.702 647 HE2 PHE 102 HE2 PHE 102 34.281 -3.211 8.350 648 HZ PHE 102 HZ PHE 102 36.318 -2.335 9.422 649 H GLN 103 H GLN 103 38.889 -7.355 5.500 650 HA GLN 103 HA GLN 103 39.772 -9.963 6.210 651 HB2 GLN 103 HB1 GLN 103 38.501 -9.739 3.692 652 HB3 GLN 103 HB2 GLN 103 40.236 -9.892 3.380 653 HG2 GLN 103 HG1 GLN 103 40.191 -11.886 4.969 654 HG3 GLN 103 HG2 GLN 103 38.431 -11.805 4.816 655 HE21 GLN 103 HE21 GLN 103 38.175 -13.723 3.763 656 HE22 GLN 103 HE22 GLN 103 38.738 -14.012 2.155 657 H SER 104 H SER 104 42.042 -10.332 5.609 658 HA SER 104 HA SER 104 43.456 -7.791 5.127 659 HB2 SER 104 HB1 SER 104 44.712 -10.030 6.683 660 HB3 SER 104 HB2 SER 104 45.024 -8.288 6.770 661 HG SER 104 HG SER 104 42.802 -9.710 7.801 662 H LEU 105 H LEU 105 45.819 -8.239 4.455 663 HA LEU 105 HA LEU 105 45.711 -9.837 2.061 664 HB2 LEU 105 HB1 LEU 105 47.332 -7.685 3.123 665 HB3 LEU 105 HB2 LEU 105 48.335 -8.967 2.423 666 HG LEU 105 HG LEU 105 46.053 -7.901 0.827 667 HD11 LEU 105 HD11 LEU 105 48.409 -6.369 1.684 668 HD12 LEU 105 HD12 LEU 105 46.850 -5.814 1.077 669 HD13 LEU 105 HD13 LEU 105 48.092 -6.361 -0.050 670 HD21 LEU 105 HD21 LEU 105 47.738 -9.850 0.291 671 HD22 LEU 105 HD22 LEU 105 48.781 -8.514 -0.196 672 HD23 LEU 105 HD23 LEU 105 47.208 -8.731 -0.967 673 H GLU 106 H GLU 106 47.056 -11.584 1.540 674 HA GLU 106 HA GLU 106 48.622 -12.782 3.696 675 HB2 GLU 106 HB1 GLU 106 47.584 -14.947 3.471 676 HB3 GLU 106 HB2 GLU 106 46.338 -13.744 3.836 677 HG2 GLU 106 HG1 GLU 106 45.201 -14.270 2.012 678 HG3 GLU 106 HG2 GLU 106 46.625 -13.987 1.002 679 HE2 GLU 106 HE GLU 106 46.380 -17.719 2.326 680 H HIS 107 H HIS 107 50.005 -14.558 2.937 681 HA HIS 107 HA HIS 107 50.375 -14.969 0.128 682 HB2 HIS 107 HB1 HIS 107 52.650 -14.021 -0.008 683 HB3 HIS 107 HB2 HIS 107 51.426 -12.781 0.281 684 HD1 HIS 107 HD1 HIS 107 51.934 -11.189 2.103 685 HD2 HIS 107 HD2 HIS 107 53.969 -14.779 2.576 686 HE1 HIS 107 HE1 HIS 107 53.410 -10.865 4.112 687 HE2 HIS 107 HE2 HIS 107 54.654 -13.059 4.404 688 H HIS 108 H HIS 108 51.888 -16.618 -0.337 689 HA HIS 108 HA HIS 108 52.612 -18.219 2.019 690 HB2 HIS 108 HB1 HIS 108 51.141 -18.966 -0.135 691 HB3 HIS 108 HB2 HIS 108 52.755 -19.449 -0.667 692 HD1 HIS 108 HD1 HIS 108 53.608 -20.180 2.399 693 HD2 HIS 108 HD2 HIS 108 50.424 -21.681 0.192 694 HE1 HIS 108 HE1 HIS 108 53.055 -22.401 3.441 695 HE2 HIS 108 HE2 HIS 108 51.109 -23.319 2.092 696 H HIS 109 H HIS 109 54.188 -15.977 1.006 697 HA HIS 109 HA HIS 109 56.336 -15.419 0.494 698 HB2 HIS 109 HB1 HIS 109 56.687 -18.143 1.750 699 HB3 HIS 109 HB2 HIS 109 58.063 -17.153 1.252 700 HD1 HIS 109 HD1 HIS 109 56.826 -17.984 4.246 701 HD2 HIS 109 HD2 HIS 109 57.130 -14.260 2.430 702 HE1 HIS 109 HE1 HIS 109 56.794 -16.315 6.127 703 HE2 HIS 109 HE2 HIS 109 56.979 -14.039 5.018 704 H HIS 110 H HIS 110 55.278 -15.820 -1.782 705 HA HIS 110 HA HIS 110 56.070 -18.023 -3.332 706 HB2 HIS 110 HB1 HIS 110 54.424 -15.931 -3.751 707 HB3 HIS 110 HB2 HIS 110 55.823 -15.392 -4.683 708 HD1 HIS 110 HD1 HIS 110 56.229 -16.464 -6.927 709 HD2 HIS 110 HD2 HIS 110 53.287 -18.402 -4.723 710 HE1 HIS 110 HE1 HIS 110 55.187 -18.119 -8.506 711 HE2 HIS 110 HE2 HIS 110 53.390 -19.306 -7.162 712 H HIS 111 H HIS 111 57.796 -18.383 -4.691 713 HA HIS 111 HA HIS 111 59.981 -16.421 -4.651 714 HB2 HIS 111 HB1 HIS 111 61.588 -18.359 -4.422 715 HB3 HIS 111 HB2 HIS 111 60.656 -17.967 -2.976 716 HD1 HIS 111 HD1 HIS 111 60.621 -20.488 -5.807 717 HD2 HIS 111 HD2 HIS 111 59.242 -20.038 -1.913 718 HE1 HIS 111 HE1 HIS 111 59.652 -22.721 -5.175 719 HE2 HIS 111 HE2 HIS 111 58.809 -22.446 -2.795 720 H HIS 112 H HIS 112 61.025 -16.171 -6.551 721 HA HIS 112 HA HIS 112 59.910 -17.415 -8.883 722 HB2 HIS 112 HB1 HIS 112 60.918 -15.000 -8.528 723 HB3 HIS 112 HB2 HIS 112 62.425 -15.799 -8.987 724 HD1 HIS 112 HD1 HIS 112 60.212 -13.758 -10.565 725 HD2 HIS 112 HD2 HIS 112 61.524 -17.590 -11.483 726 HE1 HIS 112 HE1 HIS 112 59.798 -14.037 -13.030 727 HE2 HIS 112 HE2 HIS 112 60.600 -16.380 -13.592 Start of MODEL 7 1 H1 MET 18 H MET 18 -81.720 1.886 -4.327 2 HA MET 18 HA MET 18 -82.133 2.641 -2.183 3 HB2 MET 18 HB1 MET 18 -83.393 1.135 -0.579 4 HB3 MET 18 HB2 MET 18 -84.292 1.680 -2.004 5 HG2 MET 18 HG1 MET 18 -83.788 -0.492 -3.104 6 HG3 MET 18 HG2 MET 18 -83.036 -1.022 -1.596 7 HE1 MET 18 HE1 MET 18 -83.970 -1.908 0.219 8 HE2 MET 18 HE2 MET 18 -84.986 -0.654 0.931 9 HE3 MET 18 HE3 MET 18 -85.669 -2.238 0.562 10 H LEU 19 H LEU 19 -80.284 2.776 -1.110 11 HA LEU 19 HA LEU 19 -79.262 0.700 0.490 12 HB2 LEU 19 HB1 LEU 19 -77.095 0.356 -0.690 13 HB3 LEU 19 HB2 LEU 19 -78.505 -0.328 -1.518 14 HG LEU 19 HG LEU 19 -78.140 2.249 -2.588 15 HD11 LEU 19 HD11 LEU 19 -75.815 1.975 -3.494 16 HD12 LEU 19 HD12 LEU 19 -75.560 0.733 -2.269 17 HD13 LEU 19 HD13 LEU 19 -75.912 2.391 -1.782 18 HD21 LEU 19 HD21 LEU 19 -78.011 -0.566 -3.465 19 HD22 LEU 19 HD22 LEU 19 -77.219 0.614 -4.511 20 HD23 LEU 19 HD23 LEU 19 -78.930 0.790 -4.120 21 H VAL 20 H VAL 20 -76.778 1.310 1.026 22 HA VAL 20 HA VAL 20 -76.859 4.176 1.673 23 HB VAL 20 HB VAL 20 -75.249 1.967 2.963 24 HG11 VAL 20 HG11 VAL 20 -75.221 4.907 3.219 25 HG12 VAL 20 HG12 VAL 20 -75.182 3.992 4.728 26 HG13 VAL 20 HG13 VAL 20 -73.940 3.729 3.503 27 HG21 VAL 20 HG21 VAL 20 -77.143 1.512 4.044 28 HG22 VAL 20 HG22 VAL 20 -76.970 3.078 4.833 29 HG23 VAL 20 HG23 VAL 20 -77.950 2.929 3.374 30 H LEU 21 H LEU 21 -75.599 5.472 0.526 31 HA LEU 21 HA LEU 21 -73.677 4.577 -1.323 32 HB2 LEU 21 HB1 LEU 21 -74.918 7.014 -0.626 33 HB3 LEU 21 HB2 LEU 21 -73.168 7.282 -0.526 34 HG LEU 21 HG LEU 21 -73.097 6.252 -2.893 35 HD11 LEU 21 HD11 LEU 21 -74.999 6.024 -4.103 36 HD12 LEU 21 HD12 LEU 21 -75.843 7.303 -3.230 37 HD13 LEU 21 HD13 LEU 21 -75.677 5.703 -2.507 38 HD21 LEU 21 HD21 LEU 21 -74.460 8.802 -3.201 39 HD22 LEU 21 HD22 LEU 21 -72.794 8.355 -3.573 40 HD23 LEU 21 HD23 LEU 21 -73.234 8.832 -1.933 41 H ASP 22 H ASP 22 -71.475 4.451 -1.263 42 HA ASP 22 HA ASP 22 -70.243 4.705 1.399 43 HB2 ASP 22 HB1 ASP 22 -69.042 3.121 -0.860 44 HB3 ASP 22 HB2 ASP 22 -68.809 2.930 0.884 45 HD2 ASP 22 HD ASP 22 -71.503 0.815 1.172 46 H PHE 23 H PHE 23 -67.884 5.241 1.365 47 HA PHE 23 HA PHE 23 -67.028 6.859 -0.901 48 HB2 PHE 23 HB1 PHE 23 -68.280 8.076 1.253 49 HB3 PHE 23 HB2 PHE 23 -66.564 8.266 1.620 50 HD1 PHE 23 HD1 PHE 23 -65.277 9.903 0.577 51 HD2 PHE 23 HD2 PHE 23 -69.075 8.867 -1.041 52 HE1 PHE 23 HE1 PHE 23 -65.126 11.799 -0.982 53 HE2 PHE 23 HE2 PHE 23 -68.929 10.762 -2.605 54 HZ PHE 23 HZ PHE 23 -66.953 12.231 -2.577 55 H ASN 24 H ASN 24 -64.784 7.256 -0.959 56 HA ASN 24 HA ASN 24 -63.182 5.865 1.076 57 HB2 ASN 24 HB1 ASN 24 -62.987 5.556 -1.929 58 HB3 ASN 24 HB2 ASN 24 -61.702 5.058 -0.819 59 HD21 ASN 24 HD21 ASN 24 -64.815 4.327 -2.083 60 HD22 ASN 24 HD22 ASN 24 -65.006 2.790 -1.317 61 H ASN 25 H ASN 25 -61.106 6.686 1.415 62 HA ASN 25 HA ASN 25 -60.319 9.064 -0.092 63 HB2 ASN 25 HB1 ASN 25 -61.683 9.638 2.031 64 HB3 ASN 25 HB2 ASN 25 -60.241 9.123 2.915 65 HD21 ASN 25 HD21 ASN 25 -61.756 11.756 1.895 66 HD22 ASN 25 HD22 ASN 25 -60.421 12.819 1.627 67 H ILE 26 H ILE 26 -58.144 9.317 -0.299 68 HA ILE 26 HA ILE 26 -56.468 7.257 0.970 69 HB ILE 26 HB ILE 26 -54.911 7.521 -0.876 70 HG12 ILE 26 HG11 ILE 26 -56.305 8.950 -2.819 71 HG13 ILE 26 HG12 ILE 26 -56.488 9.921 -1.349 72 HG21 ILE 26 HG21 ILE 26 -57.302 7.255 -2.506 73 HG22 ILE 26 HG22 ILE 26 -56.058 6.067 -2.118 74 HG23 ILE 26 HG23 ILE 26 -57.396 6.338 -1.003 75 HD11 ILE 26 HD11 ILE 26 -53.856 8.980 -2.460 76 HD12 ILE 26 HD12 ILE 26 -54.540 10.592 -2.674 77 HD13 ILE 26 HD13 ILE 26 -54.096 10.028 -1.063 78 H ARG 27 H ARG 27 -54.109 7.964 1.183 79 HA ARG 27 HA ARG 27 -54.083 10.597 2.479 80 HB2 ARG 27 HB1 ARG 27 -53.266 8.128 3.395 81 HB3 ARG 27 HB2 ARG 27 -51.747 8.883 2.888 82 HG2 ARG 27 HG1 ARG 27 -51.746 10.353 4.583 83 HG3 ARG 27 HG2 ARG 27 -53.491 10.627 4.466 84 HD2 ARG 27 HD1 ARG 27 -53.937 9.176 6.109 85 HD3 ARG 27 HD2 ARG 27 -52.884 7.949 5.392 86 HE ARG 27 HE ARG 27 -51.279 8.523 6.903 87 HH11 ARG 27 HH11 ARG 27 -53.522 11.169 6.611 88 HH12 ARG 27 HH12 ARG 27 -52.791 12.100 7.876 89 HH21 ARG 27 HH21 ARG 27 -50.306 9.739 8.570 90 HH22 ARG 27 HH22 ARG 27 -50.960 11.286 8.988 91 H SER 28 H SER 28 -52.425 12.081 2.095 92 HA SER 28 HA SER 28 -51.392 12.049 -0.583 93 HB2 SER 28 HB1 SER 28 -50.894 14.011 1.679 94 HB3 SER 28 HB2 SER 28 -50.479 14.264 -0.026 95 HG SER 28 HG SER 28 -52.551 14.533 -0.525 96 H SER 29 H SER 29 -49.820 10.564 -0.906 97 HA SER 29 HA SER 29 -47.596 10.410 0.990 98 HB2 SER 29 HB1 SER 29 -47.250 8.266 0.296 99 HB3 SER 29 HB2 SER 29 -48.938 8.411 -0.227 100 HG SER 29 HG SER 29 -48.147 7.932 -2.116 101 H ALA 30 H ALA 30 -45.596 11.129 0.547 102 HA ALA 30 HA ALA 30 -44.728 11.636 -2.160 103 HB1 ALA 30 HB1 ALA 30 -45.858 13.756 -0.579 104 HB2 ALA 30 HB2 ALA 30 -44.165 14.089 -0.947 105 HB3 ALA 30 HB3 ALA 30 -45.307 13.777 -2.254 106 H ASP 31 H ASP 31 -42.652 11.109 -2.273 107 HA ASP 31 HA ASP 31 -41.036 11.247 0.187 108 HB2 ASP 31 HB1 ASP 31 -41.529 8.958 -0.845 109 HB3 ASP 31 HB2 ASP 31 -40.469 9.454 -2.171 110 HD2 ASP 31 HD ASP 31 -38.840 8.250 1.170 111 H LEU 32 H LEU 32 -38.953 12.067 0.090 112 HA LEU 32 HA LEU 32 -38.247 13.448 -2.417 113 HB2 LEU 32 HB1 LEU 32 -38.314 14.382 0.401 114 HB3 LEU 32 HB2 LEU 32 -36.966 14.940 -0.606 115 HG LEU 32 HG LEU 32 -38.848 15.647 -2.264 116 HD11 LEU 32 HD11 LEU 32 -40.915 16.312 -1.130 117 HD12 LEU 32 HD12 LEU 32 -40.356 15.519 0.343 118 HD13 LEU 32 HD13 LEU 32 -40.684 14.564 -1.102 119 HD21 LEU 32 HD21 LEU 32 -38.969 17.830 -1.186 120 HD22 LEU 32 HD22 LEU 32 -37.331 17.178 -1.109 121 HD23 LEU 32 HD23 LEU 32 -38.367 17.131 0.318 122 H HIS 33 H HIS 33 -36.808 11.962 -3.203 123 HA HIS 33 HA HIS 33 -34.544 11.224 -1.480 124 HB2 HIS 33 HB1 HIS 33 -36.131 9.748 -3.323 125 HB3 HIS 33 HB2 HIS 33 -34.495 9.841 -3.985 126 HD1 HIS 33 HD1 HIS 33 -32.544 8.892 -2.439 127 HD2 HIS 33 HD2 HIS 33 -36.412 7.974 -1.232 128 HE1 HIS 33 HE1 HIS 33 -32.305 7.005 -0.794 129 HE2 HIS 33 HE2 HIS 33 -34.669 6.444 -0.056 130 H GLY 34 H GLY 34 -32.439 10.909 -2.788 131 HA2 GLY 34 HA2 GLY 34 -32.030 12.585 -5.068 132 HA3 GLY 34 HA3 GLY 34 -31.461 13.351 -3.593 133 HA1 GLY 34 HA1 GLY 34 -32.004 11.728 -4.856 134 H ALA 35 H ALA 35 -29.453 13.164 -5.046 135 HA ALA 35 HA ALA 35 -28.127 10.584 -4.514 136 HB1 ALA 35 HB1 ALA 35 -28.520 11.473 -6.950 137 HB2 ALA 35 HB2 ALA 35 -27.099 12.456 -6.593 138 HB3 ALA 35 HB3 ALA 35 -26.999 10.698 -6.508 139 H ARG 36 H ARG 36 -27.314 11.114 -2.492 140 HA ARG 36 HA ARG 36 -25.827 13.541 -2.067 141 HB2 ARG 36 HB1 ARG 36 -26.946 11.437 -0.452 142 HB3 ARG 36 HB2 ARG 36 -25.254 11.699 -0.008 143 HG2 ARG 36 HG1 ARG 36 -25.856 14.194 0.098 144 HG3 ARG 36 HG2 ARG 36 -27.537 13.633 0.106 145 HD2 ARG 36 HD1 ARG 36 -25.681 12.309 2.009 146 HD3 ARG 36 HD2 ARG 36 -26.107 13.994 2.341 147 HE ARG 36 HE ARG 36 -28.446 12.529 1.783 148 HH11 ARG 36 HH11 ARG 36 -26.003 12.896 4.235 149 HH12 ARG 36 HH12 ARG 36 -27.051 12.431 5.534 150 HH21 ARG 36 HH21 ARG 36 -29.838 11.917 3.485 151 HH22 ARG 36 HH22 ARG 36 -29.232 11.875 5.106 152 H LYS 37 H LYS 37 -23.775 13.852 -2.591 153 HA LYS 37 HA LYS 37 -22.056 11.500 -3.021 154 HB2 LYS 37 HB1 LYS 37 -21.866 14.295 -4.171 155 HB3 LYS 37 HB2 LYS 37 -20.693 12.999 -4.461 156 HG2 LYS 37 HG1 LYS 37 -21.902 12.224 -6.144 157 HG3 LYS 37 HG2 LYS 37 -23.302 12.028 -5.075 158 HD2 LYS 37 HD1 LYS 37 -23.846 14.434 -5.411 159 HD3 LYS 37 HD2 LYS 37 -22.519 14.522 -6.582 160 HE2 LYS 37 HE1 LYS 37 -24.071 12.291 -7.334 161 HE3 LYS 37 HE2 LYS 37 -25.210 13.590 -6.953 162 HZ1 LYS 37 HZ1 LYS 37 -23.343 13.366 -9.143 163 HZ2 LYS 37 HZ2 LYS 37 -23.361 14.888 -8.405 164 HZ3 LYS 37 HZ3 LYS 37 -24.789 14.238 -9.038 165 H GLY 38 H GLY 38 -19.687 11.929 -2.618 166 HA2 GLY 38 HA2 GLY 38 -19.229 13.843 -0.441 167 HA3 GLY 38 HA3 GLY 38 -18.893 12.144 -0.145 168 HA1 GLY 38 HA1 GLY 38 -19.120 13.905 -1.314 169 H SER 39 H SER 39 -16.705 12.330 0.148 170 HA SER 39 HA SER 39 -15.113 13.593 -1.951 171 HB2 SER 39 HB1 SER 39 -14.798 13.782 0.682 172 HB3 SER 39 HB2 SER 39 -13.862 12.297 0.432 173 HG SER 39 HG SER 39 -12.964 14.681 0.118 174 H GLN 40 H GLN 40 -12.935 12.350 -2.342 175 HA GLN 40 HA GLN 40 -13.665 9.874 -3.594 176 HB2 GLN 40 HB1 GLN 40 -11.216 11.585 -3.483 177 HB3 GLN 40 HB2 GLN 40 -11.055 9.903 -4.012 178 HG2 GLN 40 HG1 GLN 40 -13.254 10.953 -5.416 179 HG3 GLN 40 HG2 GLN 40 -11.980 12.179 -5.475 180 HE21 GLN 40 HE21 GLN 40 -10.663 12.010 -7.127 181 HE22 GLN 40 HE22 GLN 40 -10.244 10.555 -7.959 182 H CYS 41 H CYS 41 -11.221 10.737 -1.141 183 HA CYS 41 HA CYS 41 -11.750 8.284 0.295 184 HB2 CYS 41 HB1 CYS 41 -9.470 7.442 0.210 185 HB3 CYS 41 HB2 CYS 41 -10.136 7.553 -1.420 186 H LEU 42 H LEU 42 -11.133 8.377 2.430 187 HA LEU 42 HA LEU 42 -10.361 11.014 3.387 188 HB2 LEU 42 HB1 LEU 42 -12.291 9.625 4.315 189 HB3 LEU 42 HB2 LEU 42 -11.042 8.616 5.066 190 HG LEU 42 HG LEU 42 -10.846 11.506 5.625 191 HD11 LEU 42 HD11 LEU 42 -12.629 10.782 7.543 192 HD12 LEU 42 HD12 LEU 42 -13.301 9.985 6.121 193 HD13 LEU 42 HD13 LEU 42 -13.023 11.726 6.106 194 HD21 LEU 42 HD21 LEU 42 -9.461 9.559 6.565 195 HD22 LEU 42 HD22 LEU 42 -10.876 9.217 7.562 196 HD23 LEU 42 HD23 LEU 42 -10.059 10.775 7.693 197 H SER 43 H SER 43 -9.082 7.787 3.131 198 HA SER 43 HA SER 43 -6.483 8.766 4.012 199 HB2 SER 43 HB1 SER 43 -8.044 6.582 5.369 200 HB3 SER 43 HB2 SER 43 -6.272 6.524 5.343 201 HG SER 43 HG SER 43 -7.948 8.172 6.764 202 H ASP 44 H ASP 44 -4.908 6.697 3.870 203 HA ASP 44 HA ASP 44 -4.922 5.984 1.101 204 HB2 ASP 44 HB1 ASP 44 -3.133 4.882 3.280 205 HB3 ASP 44 HB2 ASP 44 -2.813 4.909 1.541 206 HD2 ASP 44 HD ASP 44 -1.306 7.796 3.371 207 H THR 45 H THR 45 -5.719 4.358 4.103 208 HA THR 45 HA THR 45 -5.765 1.713 3.244 209 HB THR 45 HB THR 45 -7.696 1.522 4.998 210 HG1 THR 45 HG1 THR 45 -6.647 4.018 5.825 211 HG21 THR 45 HG21 THR 45 -5.282 0.902 5.301 212 HG22 THR 45 HG22 THR 45 -6.094 1.436 6.773 213 HG23 THR 45 HG23 THR 45 -5.007 2.530 5.920 214 H ASP 46 H ASP 46 -7.967 4.316 2.603 215 HA ASP 46 HA ASP 46 -10.172 2.702 1.778 216 HB2 ASP 46 HB1 ASP 46 -9.504 5.558 1.877 217 HB3 ASP 46 HB2 ASP 46 -10.509 5.112 0.492 218 HD2 ASP 46 HD ASP 46 -13.281 4.630 2.459 219 H CYS 47 H CYS 47 -7.293 3.895 0.250 220 HA CYS 47 HA CYS 47 -8.145 3.613 -2.445 221 HB2 CYS 47 HB1 CYS 47 -6.111 4.900 -1.464 222 HB3 CYS 47 HB2 CYS 47 -5.282 3.345 -1.570 223 H ASN 48 H ASN 48 -6.877 1.414 -0.065 224 HA ASN 48 HA ASN 48 -6.602 -0.843 -0.051 225 HB2 ASN 48 HB1 ASN 48 -8.859 -0.400 -1.567 226 HB3 ASN 48 HB2 ASN 48 -7.863 -1.385 -2.645 227 HD21 ASN 48 HD21 ASN 48 -10.350 -1.831 -0.923 228 HD22 ASN 48 HD22 ASN 48 -10.014 -3.319 -0.112 229 H THR 49 H THR 49 -5.524 -2.653 -1.194 230 HA THR 49 HA THR 49 -3.760 -3.507 -2.353 231 HB THR 49 HB THR 49 -3.730 -1.513 -4.506 232 HG1 THR 49 HG1 THR 49 -5.792 -1.658 -5.082 233 HG21 THR 49 HG21 THR 49 -4.504 -4.352 -4.900 234 HG22 THR 49 HG22 THR 49 -2.882 -4.028 -4.288 235 HG23 THR 49 HG23 THR 49 -3.396 -3.342 -5.828 236 H ARG 50 H ARG 50 -1.656 -2.637 -3.659 237 HA ARG 50 HA ARG 50 -0.235 -1.085 -1.705 238 HB2 ARG 50 HB1 ARG 50 0.784 -1.963 -4.409 239 HB3 ARG 50 HB2 ARG 50 1.728 -1.590 -2.959 240 HG2 ARG 50 HG1 ARG 50 -0.191 -3.909 -3.182 241 HG3 ARG 50 HG2 ARG 50 1.557 -4.014 -3.456 242 HD2 ARG 50 HD1 ARG 50 1.212 -2.687 -0.983 243 HD3 ARG 50 HD2 ARG 50 0.110 -4.071 -0.985 244 HE ARG 50 HE ARG 50 2.417 -5.160 -1.855 245 HH11 ARG 50 HH11 ARG 50 1.633 -3.145 0.873 246 HH12 ARG 50 HH12 ARG 50 2.876 -3.806 1.884 247 HH21 ARG 50 HH21 ARG 50 4.057 -6.038 -0.534 248 HH22 ARG 50 HH22 ARG 50 4.254 -5.450 1.082 249 H LYS 51 H LYS 51 -1.973 0.688 -2.302 250 HA LYS 51 HA LYS 51 -0.561 2.612 -3.999 251 HB2 LYS 51 HB1 LYS 51 -3.413 1.714 -4.299 252 HB3 LYS 51 HB2 LYS 51 -2.944 3.360 -4.752 253 HG2 LYS 51 HG1 LYS 51 -2.475 2.520 -6.758 254 HG3 LYS 51 HG2 LYS 51 -1.032 1.833 -5.991 255 HD2 LYS 51 HD1 LYS 51 -2.275 -0.228 -5.486 256 HD3 LYS 51 HD2 LYS 51 -3.706 0.459 -6.276 257 HE2 LYS 51 HE1 LYS 51 -1.882 0.785 -8.249 258 HE3 LYS 51 HE2 LYS 51 -1.241 -0.661 -7.454 259 HZ1 LYS 51 HZ1 LYS 51 -4.101 -0.500 -8.149 260 HZ2 LYS 51 HZ2 LYS 51 -3.133 -1.871 -7.930 261 HZ3 LYS 51 HZ3 LYS 51 -2.962 -0.929 -9.325 262 H PHE 52 H PHE 52 -0.719 4.730 -3.336 263 HA PHE 52 HA PHE 52 -2.047 5.138 -0.743 264 HB2 PHE 52 HB1 PHE 52 -0.452 7.072 -0.501 265 HB3 PHE 52 HB2 PHE 52 0.308 5.479 -0.534 266 HD1 PHE 52 HD1 PHE 52 -0.330 8.510 -2.534 267 HD2 PHE 52 HD2 PHE 52 1.842 4.862 -2.223 268 HE1 PHE 52 HE1 PHE 52 1.126 9.223 -4.385 269 HE2 PHE 52 HE2 PHE 52 3.302 5.569 -4.073 270 HZ PHE 52 HZ PHE 52 2.946 7.753 -5.157 271 H CYS 53 H CYS 53 -3.234 7.029 -0.360 272 HA CYS 53 HA CYS 53 -4.518 8.102 -2.723 273 HB2 CYS 53 HB1 CYS 53 -5.149 7.828 0.106 274 HB3 CYS 53 HB2 CYS 53 -5.538 9.440 -0.498 275 H LEU 54 H LEU 54 -3.204 9.533 -3.744 276 HA LEU 54 HA LEU 54 -1.683 11.505 -2.301 277 HB2 LEU 54 HB1 LEU 54 -0.843 10.527 -4.381 278 HB3 LEU 54 HB2 LEU 54 -2.230 11.204 -5.252 279 HG LEU 54 HG LEU 54 -1.195 13.466 -4.224 280 HD11 LEU 54 HD11 LEU 54 1.378 12.760 -5.004 281 HD12 LEU 54 HD12 LEU 54 0.864 11.466 -3.923 282 HD13 LEU 54 HD13 LEU 54 0.829 13.141 -3.372 283 HD21 LEU 54 HD21 LEU 54 -0.863 11.999 -6.773 284 HD22 LEU 54 HD22 LEU 54 0.189 13.389 -6.505 285 HD23 LEU 54 HD23 LEU 54 -1.564 13.586 -6.458 286 H GLN 55 H GLN 55 -2.177 13.593 -1.928 287 HA GLN 55 HA GLN 55 -4.615 14.687 -3.151 288 HB2 GLN 55 HB1 GLN 55 -5.058 15.813 -0.915 289 HB3 GLN 55 HB2 GLN 55 -5.363 14.071 -0.996 290 HG2 GLN 55 HG1 GLN 55 -3.842 13.606 0.564 291 HG3 GLN 55 HG2 GLN 55 -2.652 14.696 -0.161 292 HE21 GLN 55 HE21 GLN 55 -5.430 14.530 1.972 293 HE22 GLN 55 HE22 GLN 55 -5.080 15.976 2.850 294 HA PRO 56 HA PRO 56 -1.180 17.646 -3.804 295 HB2 PRO 56 HB1 PRO 56 -2.124 18.536 -6.215 296 HB3 PRO 56 HB2 PRO 56 -1.146 17.081 -6.030 297 HG2 PRO 56 HG1 PRO 56 -4.125 17.356 -6.241 298 HG3 PRO 56 HG2 PRO 56 -3.026 16.193 -7.071 299 HD2 PRO 56 HD1 PRO 56 -4.519 15.511 -4.909 300 HD3 PRO 56 HD2 PRO 56 -2.915 14.825 -5.219 301 H ARG 57 H ARG 57 -1.166 19.926 -3.765 302 HA ARG 57 HA ARG 57 -3.526 21.089 -2.572 303 HB2 ARG 57 HB1 ARG 57 -2.088 23.109 -2.318 304 HB3 ARG 57 HB2 ARG 57 -1.410 21.649 -1.581 305 HG2 ARG 57 HG1 ARG 57 0.407 21.692 -2.873 306 HG3 ARG 57 HG2 ARG 57 -0.544 22.023 -4.331 307 HD2 ARG 57 HD1 ARG 57 -0.435 24.320 -4.063 308 HD3 ARG 57 HD2 ARG 57 -0.159 24.192 -2.319 309 HE ARG 57 HE ARG 57 2.073 23.083 -3.383 310 HH11 ARG 57 HH11 ARG 57 0.424 26.111 -3.864 311 HH12 ARG 57 HH12 ARG 57 1.867 26.985 -4.255 312 HH21 ARG 57 HH21 ARG 57 3.980 24.223 -3.897 313 HH22 ARG 57 HH22 ARG 57 3.891 25.909 -4.275 314 H ASP 58 H ASP 58 -1.877 21.149 -5.633 315 HA ASP 58 HA ASP 58 -3.419 23.420 -6.596 316 HB2 ASP 58 HB1 ASP 58 -0.920 22.319 -7.246 317 HB3 ASP 58 HB2 ASP 58 -1.949 21.998 -8.647 318 HD2 ASP 58 HD ASP 58 -1.638 25.852 -7.751 319 H GLU 59 H GLU 59 -3.533 19.975 -6.627 320 HA GLU 59 HA GLU 59 -5.771 20.074 -8.544 321 HB2 GLU 59 HB1 GLU 59 -3.418 18.380 -8.442 322 HB3 GLU 59 HB2 GLU 59 -4.906 17.421 -8.408 323 HG2 GLU 59 HG1 GLU 59 -4.698 19.602 -10.419 324 HG3 GLU 59 HG2 GLU 59 -3.753 18.128 -10.671 325 HE2 GLU 59 HE GLU 59 -7.633 17.373 -10.447 326 H LYS 60 H LYS 60 -7.082 17.858 -8.223 327 HA LYS 60 HA LYS 60 -8.089 18.016 -5.499 328 HB2 LYS 60 HB1 LYS 60 -9.116 17.082 -8.116 329 HB3 LYS 60 HB2 LYS 60 -9.703 16.206 -6.693 330 HG2 LYS 60 HG1 LYS 60 -10.917 17.959 -5.924 331 HG3 LYS 60 HG2 LYS 60 -9.774 19.157 -6.555 332 HD2 LYS 60 HD1 LYS 60 -11.414 19.536 -8.067 333 HD3 LYS 60 HD2 LYS 60 -10.689 18.132 -8.872 334 HE2 LYS 60 HE1 LYS 60 -12.872 17.445 -8.842 335 HE3 LYS 60 HE2 LYS 60 -12.338 16.813 -7.277 336 HZ1 LYS 60 HZ1 LYS 60 -13.111 19.302 -6.632 337 HZ2 LYS 60 HZ2 LYS 60 -14.094 17.933 -6.499 338 HZ3 LYS 60 HZ3 LYS 60 -14.212 18.930 -7.862 339 HA PRO 61 HA PRO 61 -6.419 14.250 -3.989 340 HB2 PRO 61 HB1 PRO 61 -8.501 13.215 -2.542 341 HB3 PRO 61 HB2 PRO 61 -7.574 14.627 -2.039 342 HG2 PRO 61 HG1 PRO 61 -10.208 14.490 -3.466 343 HG3 PRO 61 HG2 PRO 61 -9.720 15.523 -2.070 344 HD2 PRO 61 HD1 PRO 61 -9.836 16.458 -4.615 345 HD3 PRO 61 HD2 PRO 61 -8.641 17.031 -3.438 346 H PHE 62 H PHE 62 -6.052 12.284 -4.814 347 HA PHE 62 HA PHE 62 -8.210 10.650 -5.833 348 HB2 PHE 62 HB1 PHE 62 -7.411 10.429 -8.073 349 HB3 PHE 62 HB2 PHE 62 -7.564 12.156 -7.741 350 HD1 PHE 62 HD1 PHE 62 -5.311 9.501 -8.645 351 HD2 PHE 62 HD2 PHE 62 -5.529 13.509 -7.230 352 HE1 PHE 62 HE1 PHE 62 -2.965 9.854 -9.298 353 HE2 PHE 62 HE2 PHE 62 -3.183 13.869 -7.882 354 HZ PHE 62 HZ PHE 62 -1.899 12.041 -8.918 355 H CYS 63 H CYS 63 -7.306 8.521 -6.695 356 HA CYS 63 HA CYS 63 -5.417 7.531 -4.748 357 HB2 CYS 63 HB1 CYS 63 -7.393 6.397 -6.606 358 HB3 CYS 63 HB2 CYS 63 -5.929 5.426 -6.439 359 H ALA 64 H ALA 64 -3.305 7.285 -5.046 360 HA ALA 64 HA ALA 64 -2.235 7.569 -7.766 361 HB1 ALA 64 HB1 ALA 64 -0.058 7.992 -6.521 362 HB2 ALA 64 HB2 ALA 64 -1.312 9.224 -6.377 363 HB3 ALA 64 HB3 ALA 64 -1.041 8.084 -5.059 364 H THR 65 H THR 65 -0.405 6.247 -8.389 365 HA THR 65 HA THR 65 -0.638 3.531 -7.306 366 HB THR 65 HB THR 65 0.849 3.123 -9.484 367 HG1 THR 65 HG1 THR 65 1.000 4.950 -10.550 368 HG21 THR 65 HG21 THR 65 -0.991 2.008 -10.064 369 HG22 THR 65 HG22 THR 65 -1.831 3.514 -10.433 370 HG23 THR 65 HG23 THR 65 -1.869 2.860 -8.795 371 H CYS 66 H CYS 66 1.449 2.220 -7.450 372 HA CYS 66 HA CYS 66 3.306 3.165 -5.640 373 HB2 CYS 66 HB1 CYS 66 2.875 0.790 -6.940 374 HB3 CYS 66 HB2 CYS 66 4.418 1.302 -7.626 375 H ARG 67 H ARG 67 5.510 3.824 -5.861 376 HA ARG 67 HA ARG 67 6.020 5.291 -8.364 377 HB2 ARG 67 HB1 ARG 67 6.842 5.917 -5.522 378 HB3 ARG 67 HB2 ARG 67 7.460 6.780 -6.938 379 HG2 ARG 67 HG1 ARG 67 4.648 6.792 -7.162 380 HG3 ARG 67 HG2 ARG 67 5.042 7.211 -5.485 381 HD2 ARG 67 HD1 ARG 67 6.546 8.977 -6.245 382 HD3 ARG 67 HD2 ARG 67 6.223 8.532 -7.927 383 HE ARG 67 HE ARG 67 3.798 9.130 -6.612 384 HH11 ARG 67 HH11 ARG 67 6.658 10.658 -7.877 385 HH12 ARG 67 HH12 ARG 67 5.867 12.166 -8.200 386 HH21 ARG 67 HH21 ARG 67 2.746 11.110 -7.032 387 HH22 ARG 67 HH22 ARG 67 3.643 12.422 -7.718 388 H GLY 68 H GLY 68 7.731 4.694 -9.526 389 HA2 GLY 68 HA2 GLY 68 9.340 2.497 -8.839 390 HA3 GLY 68 HA3 GLY 68 9.662 3.622 -10.150 391 HA1 GLY 68 HA1 GLY 68 9.207 3.039 -8.157 392 H LEU 69 H LEU 69 11.904 2.955 -9.325 393 HA LEU 69 HA LEU 69 12.833 4.107 -6.888 394 HB2 LEU 69 HB1 LEU 69 14.183 2.931 -9.306 395 HB3 LEU 69 HB2 LEU 69 15.112 3.690 -8.001 396 HG LEU 69 HG LEU 69 13.305 1.290 -7.715 397 HD11 LEU 69 HD11 LEU 69 15.189 0.500 -8.816 398 HD12 LEU 69 HD12 LEU 69 15.587 0.252 -7.117 399 HD13 LEU 69 HD13 LEU 69 16.267 1.625 -7.988 400 HD21 LEU 69 HD21 LEU 69 15.032 2.752 -5.724 401 HD22 LEU 69 HD22 LEU 69 14.328 1.159 -5.449 402 HD23 LEU 69 HD23 LEU 69 13.280 2.559 -5.680 403 H ARG 70 H ARG 70 13.306 4.982 -10.310 404 HA ARG 70 HA ARG 70 14.775 7.315 -9.882 405 HB2 ARG 70 HB1 ARG 70 12.901 6.528 -12.120 406 HB3 ARG 70 HB2 ARG 70 13.893 7.993 -12.156 407 HG2 ARG 70 HG1 ARG 70 15.479 6.768 -13.114 408 HG3 ARG 70 HG2 ARG 70 15.701 5.998 -11.534 409 HD2 ARG 70 HD1 ARG 70 14.299 4.179 -12.093 410 HD3 ARG 70 HD2 ARG 70 13.647 5.028 -13.501 411 HE ARG 70 HE ARG 70 16.455 4.643 -13.739 412 HH11 ARG 70 HH11 ARG 70 13.390 3.015 -14.021 413 HH12 ARG 70 HH12 ARG 70 13.966 1.849 -15.165 414 HH21 ARG 70 HH21 ARG 70 17.226 3.113 -15.246 415 HH22 ARG 70 HH22 ARG 70 16.148 1.906 -15.860 416 H ARG 71 H ARG 71 11.386 6.686 -9.548 417 HA ARG 71 HA ARG 71 10.369 9.287 -9.787 418 HB2 ARG 71 HB1 ARG 71 9.445 6.872 -8.236 419 HB3 ARG 71 HB2 ARG 71 8.538 8.392 -8.242 420 HG2 ARG 71 HG1 ARG 71 9.280 6.951 -10.781 421 HG3 ARG 71 HG2 ARG 71 7.792 6.612 -9.879 422 HD2 ARG 71 HD1 ARG 71 6.850 8.655 -10.366 423 HD3 ARG 71 HD2 ARG 71 8.424 9.442 -10.550 424 HE ARG 71 HE ARG 71 8.257 7.634 -12.618 425 HH11 ARG 71 HH11 ARG 71 6.427 10.380 -11.510 426 HH12 ARG 71 HH12 ARG 71 5.883 10.821 -13.094 427 HH21 ARG 71 HH21 ARG 71 7.547 8.205 -14.709 428 HH22 ARG 71 HH22 ARG 71 6.520 9.583 -14.913 429 H ARG 72 H ARG 72 10.046 10.937 -8.336 430 HA ARG 72 HA ARG 72 11.854 10.998 -6.081 431 HB2 ARG 72 HB1 ARG 72 10.071 13.019 -7.419 432 HB3 ARG 72 HB2 ARG 72 10.831 13.365 -5.859 433 HG2 ARG 72 HG1 ARG 72 12.890 12.384 -7.490 434 HG3 ARG 72 HG2 ARG 72 11.951 13.500 -8.496 435 HD2 ARG 72 HD1 ARG 72 12.728 14.291 -5.708 436 HD3 ARG 72 HD2 ARG 72 13.900 14.408 -7.027 437 HE ARG 72 HE ARG 72 11.531 15.648 -7.849 438 HH11 ARG 72 HH11 ARG 72 14.088 16.084 -5.527 439 HH12 ARG 72 HH12 ARG 72 13.946 17.811 -5.500 440 HH21 ARG 72 HH21 ARG 72 11.335 17.921 -7.823 441 HH22 ARG 72 HH22 ARG 72 12.379 18.855 -6.806 442 H CYS 73 H CYS 73 11.230 11.512 -3.925 443 HA CYS 73 HA CYS 73 8.438 11.348 -3.190 444 HB2 CYS 73 HB1 CYS 73 8.615 9.402 -1.791 445 HB3 CYS 73 HB2 CYS 73 9.148 8.966 -3.415 446 H GLN 74 H GLN 74 8.024 12.056 -1.079 447 HA GLN 74 HA GLN 74 10.314 13.385 0.205 448 HB2 GLN 74 HB1 GLN 74 7.759 14.338 -0.558 449 HB3 GLN 74 HB2 GLN 74 7.789 14.304 1.212 450 HG2 GLN 74 HG1 GLN 74 10.212 15.420 0.664 451 HG3 GLN 74 HG2 GLN 74 9.217 16.041 -0.661 452 HE21 GLN 74 HE21 GLN 74 7.342 17.263 -0.155 453 HE22 GLN 74 HE22 GLN 74 7.214 18.099 1.352 454 H ARG 75 H ARG 75 7.745 11.105 0.655 455 HA ARG 75 HA ARG 75 8.656 10.680 3.423 456 HB2 ARG 75 HB1 ARG 75 5.832 10.527 2.347 457 HB3 ARG 75 HB2 ARG 75 6.317 9.959 3.951 458 HG2 ARG 75 HG1 ARG 75 6.450 12.038 4.816 459 HG3 ARG 75 HG2 ARG 75 7.062 12.733 3.306 460 HD2 ARG 75 HD1 ARG 75 4.882 12.833 2.349 461 HD3 ARG 75 HD2 ARG 75 4.211 11.836 3.647 462 HE ARG 75 HE ARG 75 5.340 14.208 4.704 463 HH11 ARG 75 HH11 ARG 75 2.584 13.028 2.935 464 HH12 ARG 75 HH12 ARG 75 1.527 14.286 3.486 465 HH21 ARG 75 HH21 ARG 75 3.958 15.868 5.438 466 HH22 ARG 75 HH22 ARG 75 2.310 15.900 4.909 467 H ASP 76 H ASP 76 9.055 8.610 4.025 468 HA ASP 76 HA ASP 76 9.659 6.672 2.147 469 HB2 ASP 76 HB1 ASP 76 10.493 6.681 4.477 470 HB3 ASP 76 HB2 ASP 76 8.883 6.208 5.034 471 HD2 ASP 76 HD ASP 76 10.457 3.366 2.798 472 H ALA 77 H ALA 77 6.617 7.389 3.681 473 HA ALA 77 HA ALA 77 5.295 4.955 3.081 474 HB1 ALA 77 HB1 ALA 77 4.382 7.703 3.830 475 HB2 ALA 77 HB2 ALA 77 3.214 6.483 3.321 476 HB3 ALA 77 HB3 ALA 77 4.238 6.191 4.727 477 H MET 78 H MET 78 5.789 7.944 1.305 478 HA MET 78 HA MET 78 3.907 7.438 -0.751 479 HB2 MET 78 HB1 MET 78 6.253 9.269 -0.418 480 HB3 MET 78 HB2 MET 78 5.528 9.075 -2.020 481 HG2 MET 78 HG1 MET 78 3.681 9.637 0.235 482 HG3 MET 78 HG2 MET 78 4.745 10.942 -0.297 483 HE1 MET 78 HE1 MET 78 4.099 12.347 -2.909 484 HE2 MET 78 HE2 MET 78 5.269 11.029 -2.850 485 HE3 MET 78 HE3 MET 78 4.015 11.042 -4.092 486 H CYS 79 H CYS 79 7.213 6.460 -0.215 487 HA CYS 79 HA CYS 79 7.714 5.586 -2.887 488 HB2 CYS 79 HB1 CYS 79 9.388 6.178 -0.974 489 HB3 CYS 79 HB2 CYS 79 9.157 4.498 -0.492 490 H CYS 80 H CYS 80 8.137 3.321 -3.474 491 HA CYS 80 HA CYS 80 5.904 1.688 -2.976 492 HB2 CYS 80 HB1 CYS 80 8.541 1.318 -4.342 493 HB3 CYS 80 HB2 CYS 80 7.556 -0.107 -4.007 494 HA PRO 81 HA PRO 81 6.879 -0.611 0.631 495 HB2 PRO 81 HB1 PRO 81 5.980 -3.119 -0.006 496 HB3 PRO 81 HB2 PRO 81 4.912 -1.755 0.318 497 HG2 PRO 81 HG1 PRO 81 5.855 -2.846 -2.312 498 HG3 PRO 81 HG2 PRO 81 4.195 -2.351 -1.812 499 HD2 PRO 81 HD1 PRO 81 5.800 -0.777 -3.337 500 HD3 PRO 81 HD2 PRO 81 4.653 -0.118 -2.157 501 H GLY 82 H GLY 82 8.899 -1.075 1.236 502 HA2 GLY 82 HA2 GLY 82 10.551 -2.853 1.444 503 HA3 GLY 82 HA3 GLY 82 10.352 -3.153 -0.277 504 HA1 GLY 82 HA1 GLY 82 10.443 -1.979 1.493 505 H THR 83 H THR 83 10.257 0.035 -0.235 506 HA THR 83 HA THR 83 13.186 0.313 -0.427 507 HB THR 83 HB THR 83 12.399 2.356 -1.947 508 HG1 THR 83 HG1 THR 83 10.360 0.406 -2.367 509 HG21 THR 83 HG21 THR 83 13.165 -0.406 -2.451 510 HG22 THR 83 HG22 THR 83 13.713 1.078 -3.233 511 HG23 THR 83 HG23 THR 83 12.233 0.289 -3.777 512 H LEU 84 H LEU 84 13.856 2.708 -0.271 513 HA LEU 84 HA LEU 84 12.306 4.042 1.847 514 HB2 LEU 84 HB1 LEU 84 15.256 3.480 1.705 515 HB3 LEU 84 HB2 LEU 84 14.615 4.821 2.672 516 HG LEU 84 HG LEU 84 13.574 2.050 3.104 517 HD11 LEU 84 HD11 LEU 84 15.543 1.284 3.771 518 HD12 LEU 84 HD12 LEU 84 15.575 2.535 5.012 519 HD13 LEU 84 HD13 LEU 84 16.307 2.838 3.437 520 HD21 LEU 84 HD21 LEU 84 14.110 3.964 5.288 521 HD22 LEU 84 HD22 LEU 84 12.738 2.886 5.032 522 HD23 LEU 84 HD23 LEU 84 12.841 4.410 4.147 523 H CYS 85 H CYS 85 12.821 6.369 2.069 524 HA CYS 85 HA CYS 85 13.090 7.563 -0.581 525 HB2 CYS 85 HB1 CYS 85 11.925 8.415 2.033 526 HB3 CYS 85 HB2 CYS 85 12.487 9.672 0.927 527 H VAL 86 H VAL 86 15.220 7.722 -1.074 528 HA VAL 86 HA VAL 86 16.961 9.104 0.859 529 HB VAL 86 HB VAL 86 17.781 7.312 -1.431 530 HG11 VAL 86 HG11 VAL 86 20.012 7.429 -0.242 531 HG12 VAL 86 HG12 VAL 86 19.504 8.893 -1.086 532 HG13 VAL 86 HG13 VAL 86 19.351 8.786 0.669 533 HG21 VAL 86 HG21 VAL 86 17.458 6.828 1.510 534 HG22 VAL 86 HG22 VAL 86 16.874 5.863 0.153 535 HG23 VAL 86 HG23 VAL 86 18.592 5.878 0.549 536 H ASN 87 H ASN 87 17.720 11.056 0.350 537 HA ASN 87 HA ASN 87 18.070 12.996 -0.784 538 HB2 ASN 87 HB1 ASN 87 19.555 11.158 -2.015 539 HB3 ASN 87 HB2 ASN 87 18.461 11.533 -3.354 540 HD21 ASN 87 HD21 ASN 87 20.040 12.479 -4.602 541 HD22 ASN 87 HD22 ASN 87 20.736 14.013 -4.222 542 H ASP 88 H ASP 88 15.381 12.135 -0.591 543 HA ASP 88 HA ASP 88 13.314 12.695 -1.357 544 HB2 ASP 88 HB1 ASP 88 15.043 14.757 -2.232 545 HB3 ASP 88 HB2 ASP 88 13.970 14.385 -3.588 546 HD2 ASP 88 HD ASP 88 12.320 15.863 -0.293 547 H VAL 89 H VAL 89 14.943 10.515 -2.590 548 HA VAL 89 HA VAL 89 13.223 10.109 -4.926 549 HB VAL 89 HB VAL 89 16.202 9.609 -4.966 550 HG11 VAL 89 HG11 VAL 89 15.140 7.932 -6.263 551 HG12 VAL 89 HG12 VAL 89 14.027 9.098 -6.983 552 HG13 VAL 89 HG13 VAL 89 15.741 9.139 -7.400 553 HG21 VAL 89 HG21 VAL 89 15.760 11.309 -7.001 554 HG22 VAL 89 HG22 VAL 89 14.526 11.863 -5.869 555 HG23 VAL 89 HG23 VAL 89 16.219 11.832 -5.380 556 H CYS 90 H CYS 90 12.693 7.975 -5.347 557 HA CYS 90 HA CYS 90 12.733 6.207 -3.139 558 HB2 CYS 90 HB1 CYS 90 11.771 6.108 -5.955 559 HB3 CYS 90 HB2 CYS 90 12.000 4.566 -5.129 560 H THR 91 H THR 91 14.528 5.250 -2.442 561 HA THR 91 HA THR 91 16.337 4.054 -4.442 562 HB THR 91 HB THR 91 17.054 5.152 -1.717 563 HG1 THR 91 HG1 THR 91 18.449 6.446 -3.323 564 HG21 THR 91 HG21 THR 91 18.712 3.748 -3.808 565 HG22 THR 91 HG22 THR 91 18.440 3.253 -2.138 566 HG23 THR 91 HG23 THR 91 19.401 4.689 -2.486 567 H THR 92 H THR 92 17.050 1.977 -4.118 568 HA THR 92 HA THR 92 15.407 0.286 -2.516 569 HB THR 92 HB THR 92 17.853 -0.990 -3.416 570 HG1 THR 92 HG1 THR 92 17.768 -0.475 -5.541 571 HG21 THR 92 HG21 THR 92 14.904 -1.287 -3.864 572 HG22 THR 92 HG22 THR 92 16.030 -2.392 -3.073 573 HG23 THR 92 HG23 THR 92 16.052 -2.214 -4.828 574 H MET 93 H MET 93 15.977 -0.985 -0.735 575 HA MET 93 HA MET 93 17.638 0.253 1.177 576 HB2 MET 93 HB1 MET 93 15.651 -1.232 1.636 577 HB3 MET 93 HB2 MET 93 16.683 -2.611 1.231 578 HG2 MET 93 HG1 MET 93 18.221 -1.998 3.049 579 HG3 MET 93 HG2 MET 93 17.158 -0.650 3.463 580 HE1 MET 93 HE1 MET 93 14.503 -1.083 4.214 581 HE2 MET 93 HE2 MET 93 14.565 -2.054 5.685 582 HE3 MET 93 HE3 MET 93 15.768 -0.794 5.410 583 H GLU 94 H GLU 94 18.149 -2.433 -1.038 584 HA GLU 94 HA GLU 94 20.498 -3.485 0.007 585 HB2 GLU 94 HB1 GLU 94 19.318 -3.343 -2.740 586 HB3 GLU 94 HB2 GLU 94 20.971 -3.948 -2.542 587 HG2 GLU 94 HG1 GLU 94 19.118 -5.164 -0.658 588 HG3 GLU 94 HG2 GLU 94 18.652 -5.424 -2.343 589 HE2 GLU 94 HE GLU 94 21.284 -7.794 -1.048 590 H ASP 95 H ASP 95 19.972 -0.618 -1.932 591 HA ASP 95 HA ASP 95 22.825 -0.160 -2.259 592 HB2 ASP 95 HB1 ASP 95 21.466 0.392 -4.159 593 HB3 ASP 95 HB2 ASP 95 20.391 1.382 -3.165 594 HD2 ASP 95 HD ASP 95 23.959 2.934 -3.984 595 H ALA 96 H ALA 96 20.092 1.145 -0.461 596 HA ALA 96 HA ALA 96 21.564 3.328 0.665 597 HB1 ALA 96 HB1 ALA 96 19.558 3.444 2.220 598 HB2 ALA 96 HB2 ALA 96 19.241 3.656 0.497 599 HB3 ALA 96 HB3 ALA 96 18.885 2.114 1.277 600 H THR 97 H THR 97 23.108 3.101 2.131 601 HA THR 97 HA THR 97 22.684 1.363 4.424 602 HB THR 97 HB THR 97 25.366 0.874 3.793 603 HG1 THR 97 HG1 THR 97 25.468 0.568 1.695 604 HG21 THR 97 HG21 THR 97 24.747 -1.376 3.886 605 HG22 THR 97 HG22 THR 97 23.156 -1.066 3.192 606 HG23 THR 97 HG23 THR 97 23.507 -0.573 4.847 607 H GLU 98 H GLU 98 22.902 2.789 6.024 608 HA GLU 98 HA GLU 98 24.642 5.064 5.836 609 HB2 GLU 98 HB1 GLU 98 23.142 3.992 8.239 610 HB3 GLU 98 HB2 GLU 98 23.859 5.603 8.080 611 HG2 GLU 98 HG1 GLU 98 22.281 5.721 5.962 612 HG3 GLU 98 HG2 GLU 98 21.381 4.501 6.875 613 HE2 GLU 98 HE GLU 98 21.097 8.226 7.980 614 H ASN 99 H ASN 99 24.841 1.862 7.156 615 HA ASN 99 HA ASN 99 26.475 0.730 8.266 616 HB2 ASN 99 HB1 ASN 99 27.688 2.244 6.202 617 HB3 ASN 99 HB2 ASN 99 28.753 2.353 7.609 618 HD21 ASN 99 HD21 ASN 99 27.730 0.437 5.029 619 HD22 ASN 99 HD22 ASN 99 28.574 -1.011 5.447 620 H LEU 100 H LEU 100 28.734 1.329 9.581 621 HA LEU 100 HA LEU 100 27.858 3.289 11.599 622 HB2 LEU 100 HB1 LEU 100 29.459 1.893 13.092 623 HB3 LEU 100 HB2 LEU 100 27.835 1.286 12.728 624 HG LEU 100 HG LEU 100 29.977 0.388 10.907 625 HD11 LEU 100 HD11 LEU 100 30.262 -1.466 12.850 626 HD12 LEU 100 HD12 LEU 100 30.108 0.000 13.818 627 HD13 LEU 100 HD13 LEU 100 31.373 -0.119 12.594 628 HD21 LEU 100 HD21 LEU 100 28.353 -1.634 12.150 629 HD22 LEU 100 HD22 LEU 100 28.449 -1.158 10.454 630 HD23 LEU 100 HD23 LEU 100 27.348 -0.316 11.546 631 H TYR 101 H TYR 101 30.456 2.218 9.557 632 HA TYR 101 HA TYR 101 32.193 4.329 10.648 633 HB2 TYR 101 HB1 TYR 101 32.700 1.617 9.627 634 HB3 TYR 101 HB2 TYR 101 33.803 2.842 8.996 635 HD1 TYR 101 HD1 TYR 101 35.774 3.126 10.146 636 HD2 TYR 101 HD2 TYR 101 32.304 1.951 12.309 637 HE1 TYR 101 HE1 TYR 101 37.102 3.036 12.215 638 HE2 TYR 101 HE2 TYR 101 33.622 1.861 14.385 639 HH TYR 101 HH TYR 101 35.668 1.961 15.272 640 H PHE 102 H PHE 102 33.090 5.853 9.303 641 HA PHE 102 HA PHE 102 32.164 5.838 6.507 642 HB2 PHE 102 HB1 PHE 102 31.740 8.188 6.582 643 HB3 PHE 102 HB2 PHE 102 30.927 7.467 7.971 644 HD1 PHE 102 HD1 PHE 102 33.274 9.926 6.905 645 HD2 PHE 102 HD2 PHE 102 32.089 7.553 10.234 646 HE1 PHE 102 HE1 PHE 102 34.441 11.475 8.419 647 HE2 PHE 102 HE2 PHE 102 33.254 9.099 11.754 648 HZ PHE 102 HZ PHE 102 34.431 11.063 10.847 649 H GLN 103 H GLN 103 33.474 7.265 5.076 650 HA GLN 103 HA GLN 103 36.170 7.854 5.951 651 HB2 GLN 103 HB1 GLN 103 36.171 5.420 5.328 652 HB3 GLN 103 HB2 GLN 103 35.748 5.908 3.680 653 HG2 GLN 103 HG1 GLN 103 37.868 6.302 3.181 654 HG3 GLN 103 HG2 GLN 103 38.022 7.401 4.558 655 HE21 GLN 103 HE21 GLN 103 39.093 6.755 6.341 656 HE22 GLN 103 HE22 GLN 103 39.825 5.202 6.531 657 H SER 104 H SER 104 36.577 9.795 5.151 658 HA SER 104 HA SER 104 36.090 10.358 2.348 659 HB2 SER 104 HB1 SER 104 33.989 10.977 3.718 660 HB3 SER 104 HB2 SER 104 34.976 12.300 4.363 661 HG SER 104 HG SER 104 34.619 11.842 1.588 662 H LEU 105 H LEU 105 37.144 11.621 5.487 663 HA LEU 105 HA LEU 105 38.935 12.878 6.104 664 HB2 LEU 105 HB1 LEU 105 39.823 11.193 3.991 665 HB3 LEU 105 HB2 LEU 105 40.566 12.787 3.774 666 HG LEU 105 HG LEU 105 41.353 12.616 6.171 667 HD11 LEU 105 HD11 LEU 105 40.716 10.915 7.437 668 HD12 LEU 105 HD12 LEU 105 41.388 9.768 6.279 669 HD13 LEU 105 HD13 LEU 105 39.720 10.316 6.111 670 HD21 LEU 105 HD21 LEU 105 42.328 10.669 4.089 671 HD22 LEU 105 HD22 LEU 105 43.198 11.035 5.580 672 HD23 LEU 105 HD23 LEU 105 42.912 12.306 4.391 673 H GLU 106 H GLU 106 40.493 14.711 5.131 674 HA GLU 106 HA GLU 106 38.853 16.450 3.413 675 HB2 GLU 106 HB1 GLU 106 38.912 16.918 6.006 676 HB3 GLU 106 HB2 GLU 106 40.483 17.637 5.619 677 HG2 GLU 106 HG1 GLU 106 38.914 19.400 5.590 678 HG3 GLU 106 HG2 GLU 106 39.313 19.043 3.905 679 HE2 GLU 106 HE GLU 106 36.061 18.229 3.165 680 H HIS 107 H HIS 107 40.034 16.380 1.580 681 HA HIS 107 HA HIS 107 42.902 16.398 1.584 682 HB2 HIS 107 HB1 HIS 107 42.733 16.427 -0.834 683 HB3 HIS 107 HB2 HIS 107 41.586 15.256 -0.175 684 HD1 HIS 107 HD1 HIS 107 39.047 15.855 -0.306 685 HD2 HIS 107 HD2 HIS 107 41.566 18.553 -2.213 686 HE1 HIS 107 HE1 HIS 107 37.549 17.268 -1.749 687 HE2 HIS 107 HE2 HIS 107 39.088 18.916 -2.917 688 H HIS 108 H HIS 108 43.752 18.070 -0.302 689 HA HIS 108 HA HIS 108 42.731 20.743 0.130 690 HB2 HIS 108 HB1 HIS 108 45.005 21.581 0.856 691 HB3 HIS 108 HB2 HIS 108 44.113 20.649 2.064 692 HD1 HIS 108 HD1 HIS 108 47.263 20.669 0.157 693 HD2 HIS 108 HD2 HIS 108 45.115 17.992 2.499 694 HE1 HIS 108 HE1 HIS 108 48.872 18.817 0.709 695 HE2 HIS 108 HE2 HIS 108 47.561 17.181 2.142 696 H HIS 109 H HIS 109 43.484 22.249 -1.385 697 HA HIS 109 HA HIS 109 44.239 22.965 -3.408 698 HB2 HIS 109 HB1 HIS 109 46.386 21.523 -2.236 699 HB3 HIS 109 HB2 HIS 109 46.343 21.095 -3.949 700 HD1 HIS 109 HD1 HIS 109 48.137 22.451 -4.994 701 HD2 HIS 109 HD2 HIS 109 45.800 24.698 -2.395 702 HE1 HIS 109 HE1 HIS 109 48.950 24.818 -5.235 703 HE2 HIS 109 HE2 HIS 109 47.522 26.193 -3.648 704 H HIS 110 H HIS 110 42.629 22.472 -4.801 705 HA HIS 110 HA HIS 110 43.037 20.301 -6.624 706 HB2 HIS 110 HB1 HIS 110 41.043 19.058 -6.237 707 HB3 HIS 110 HB2 HIS 110 41.858 19.212 -4.678 708 HD1 HIS 110 HD1 HIS 110 40.923 21.736 -3.506 709 HD2 HIS 110 HD2 HIS 110 38.393 19.341 -5.770 710 HE1 HIS 110 HE1 HIS 110 38.592 22.377 -2.813 711 HE2 HIS 110 HE2 HIS 110 37.045 20.912 -4.195 712 H HIS 111 H HIS 111 41.491 20.340 -8.416 713 HA HIS 111 HA HIS 111 40.389 21.449 -10.069 714 HB2 HIS 111 HB1 HIS 111 39.084 22.405 -7.565 715 HB3 HIS 111 HB2 HIS 111 38.714 23.268 -9.060 716 HD1 HIS 111 HD1 HIS 111 36.631 22.435 -10.071 717 HD2 HIS 111 HD2 HIS 111 38.765 19.382 -8.231 718 HE1 HIS 111 HE1 HIS 111 35.276 20.350 -10.442 719 HE2 HIS 111 HE2 HIS 111 36.580 18.482 -9.318 720 H HIS 112 H HIS 112 42.529 22.363 -10.586 721 HA HIS 112 HA HIS 112 42.357 25.246 -10.737 722 HB2 HIS 112 HB1 HIS 112 44.647 25.603 -9.851 723 HB3 HIS 112 HB2 HIS 112 43.515 25.023 -8.624 724 HD1 HIS 112 HD1 HIS 112 45.979 23.374 -11.024 725 HD2 HIS 112 HD2 HIS 112 44.597 23.072 -7.117 726 HE1 HIS 112 HE1 HIS 112 47.296 21.498 -9.987 727 HE2 HIS 112 HE2 HIS 112 46.452 21.314 -7.600 Start of MODEL 8 1 H1 MET 18 H MET 18 -54.411 -44.592 4.354 2 HA MET 18 HA MET 18 -53.062 -43.914 2.629 3 HB2 MET 18 HB1 MET 18 -55.751 -43.238 1.544 4 HB3 MET 18 HB2 MET 18 -54.354 -42.429 0.817 5 HG2 MET 18 HG1 MET 18 -53.329 -44.611 0.345 6 HG3 MET 18 HG2 MET 18 -54.744 -45.403 1.045 7 HE1 MET 18 HE1 MET 18 -54.184 -44.444 -3.221 8 HE2 MET 18 HE2 MET 18 -53.159 -43.725 -1.979 9 HE3 MET 18 HE3 MET 18 -53.326 -45.478 -2.077 10 H LEU 19 H LEU 19 -51.647 -42.401 3.171 11 HA LEU 19 HA LEU 19 -52.485 -39.619 3.328 12 HB2 LEU 19 HB1 LEU 19 -52.465 -40.946 5.642 13 HB3 LEU 19 HB2 LEU 19 -50.741 -40.551 5.540 14 HG LEU 19 HG LEU 19 -51.678 -38.115 5.124 15 HD11 LEU 19 HD11 LEU 19 -53.774 -37.654 5.816 16 HD12 LEU 19 HD12 LEU 19 -53.754 -38.902 7.063 17 HD13 LEU 19 HD13 LEU 19 -54.055 -39.340 5.381 18 HD21 LEU 19 HD21 LEU 19 -51.281 -39.603 7.690 19 HD22 LEU 19 HD22 LEU 19 -51.719 -37.895 7.700 20 HD23 LEU 19 HD23 LEU 19 -50.232 -38.419 6.910 21 H VAL 20 H VAL 20 -50.946 -38.221 2.643 22 HA VAL 20 HA VAL 20 -48.306 -39.364 2.001 23 HB VAL 20 HB VAL 20 -49.662 -38.765 0.015 24 HG11 VAL 20 HG11 VAL 20 -50.728 -36.779 1.271 25 HG12 VAL 20 HG12 VAL 20 -49.305 -35.882 0.742 26 HG13 VAL 20 HG13 VAL 20 -50.386 -36.605 -0.450 27 HG21 VAL 20 HG21 VAL 20 -47.885 -37.884 -1.174 28 HG22 VAL 20 HG22 VAL 20 -47.394 -36.819 0.145 29 HG23 VAL 20 HG23 VAL 20 -47.081 -38.552 0.248 30 H LEU 21 H LEU 21 -46.465 -38.153 2.404 31 HA LEU 21 HA LEU 21 -46.444 -36.525 4.660 32 HB2 LEU 21 HB1 LEU 21 -44.548 -37.786 3.277 33 HB3 LEU 21 HB2 LEU 21 -44.310 -36.153 2.631 34 HG LEU 21 HG LEU 21 -44.114 -35.407 5.073 35 HD11 LEU 21 HD11 LEU 21 -43.024 -37.628 6.227 36 HD12 LEU 21 HD12 LEU 21 -44.417 -38.297 5.377 37 HD13 LEU 21 HD13 LEU 21 -44.639 -37.000 6.550 38 HD21 LEU 21 HD21 LEU 21 -42.156 -35.294 3.847 39 HD22 LEU 21 HD22 LEU 21 -42.114 -37.033 3.556 40 HD23 LEU 21 HD23 LEU 21 -41.718 -36.395 5.154 41 H ASP 22 H ASP 22 -46.186 -34.303 4.969 42 HA ASP 22 HA ASP 22 -46.877 -32.625 2.648 43 HB2 ASP 22 HB1 ASP 22 -48.036 -32.738 5.390 44 HB3 ASP 22 HB2 ASP 22 -47.852 -31.140 4.653 45 HD2 ASP 22 HD ASP 22 -50.153 -32.015 2.087 46 H PHE 23 H PHE 23 -45.999 -30.519 2.595 47 HA PHE 23 HA PHE 23 -43.744 -30.079 4.438 48 HB2 PHE 23 HB1 PHE 23 -42.568 -28.985 2.487 49 HB3 PHE 23 HB2 PHE 23 -42.751 -30.736 2.375 50 HD1 PHE 23 HD1 PHE 23 -43.578 -31.674 0.442 51 HD2 PHE 23 HD2 PHE 23 -44.475 -27.607 1.320 52 HE1 PHE 23 HE1 PHE 23 -44.672 -31.445 -1.750 53 HE2 PHE 23 HE2 PHE 23 -45.572 -27.373 -0.870 54 HZ PHE 23 HZ PHE 23 -45.671 -29.293 -2.408 55 H ASN 24 H ASN 24 -42.955 -27.710 4.237 56 HA ASN 24 HA ASN 24 -45.339 -25.989 4.341 57 HB2 ASN 24 HB1 ASN 24 -43.690 -24.487 5.699 58 HB3 ASN 24 HB2 ASN 24 -44.423 -25.896 6.476 59 HD21 ASN 24 HD21 ASN 24 -42.932 -26.552 7.876 60 HD22 ASN 24 HD22 ASN 24 -41.300 -26.954 7.480 61 H ASN 25 H ASN 25 -42.190 -26.406 2.931 62 HA ASN 25 HA ASN 25 -41.039 -25.274 1.325 63 HB2 ASN 25 HB1 ASN 25 -43.373 -25.764 0.256 64 HB3 ASN 25 HB2 ASN 25 -43.616 -24.021 0.427 65 HD21 ASN 25 HD21 ASN 25 -42.962 -22.781 -1.173 66 HD22 ASN 25 HD22 ASN 25 -41.822 -23.219 -2.396 67 H ILE 26 H ILE 26 -40.326 -24.001 3.315 68 HA ILE 26 HA ILE 26 -41.329 -21.308 3.541 69 HB ILE 26 HB ILE 26 -39.590 -20.980 5.211 70 HG12 ILE 26 HG11 ILE 26 -38.544 -23.624 5.450 71 HG13 ILE 26 HG12 ILE 26 -38.301 -23.084 3.781 72 HG21 ILE 26 HG21 ILE 26 -40.379 -22.514 6.848 73 HG22 ILE 26 HG22 ILE 26 -41.720 -22.190 5.751 74 HG23 ILE 26 HG23 ILE 26 -40.817 -23.698 5.618 75 HD11 ILE 26 HD11 ILE 26 -36.381 -22.558 5.191 76 HD12 ILE 26 HD12 ILE 26 -37.146 -21.100 4.559 77 HD13 ILE 26 HD13 ILE 26 -37.416 -21.582 6.233 78 H ARG 27 H ARG 27 -39.326 -19.632 3.780 79 HA ARG 27 HA ARG 27 -37.631 -19.875 1.398 80 HB2 ARG 27 HB1 ARG 27 -39.441 -17.551 2.079 81 HB3 ARG 27 HB2 ARG 27 -38.119 -17.445 0.907 82 HG2 ARG 27 HG1 ARG 27 -39.281 -19.484 -0.217 83 HG3 ARG 27 HG2 ARG 27 -40.688 -18.950 0.716 84 HD2 ARG 27 HD1 ARG 27 -41.118 -17.369 -0.794 85 HD3 ARG 27 HD2 ARG 27 -39.522 -16.663 -0.503 86 HE ARG 27 HE ARG 27 -38.783 -17.602 -2.457 87 HH11 ARG 27 HH11 ARG 27 -41.778 -19.112 -1.523 88 HH12 ARG 27 HH12 ARG 27 -41.946 -19.996 -3.004 89 HH21 ARG 27 HH21 ARG 27 -38.992 -18.761 -4.410 90 HH22 ARG 27 HH22 ARG 27 -40.359 -19.796 -4.644 91 H SER 28 H SER 28 -36.204 -17.681 1.391 92 HA SER 28 HA SER 28 -35.399 -16.849 4.031 93 HB2 SER 28 HB1 SER 28 -33.117 -17.696 3.921 94 HB3 SER 28 HB2 SER 28 -34.261 -19.045 3.797 95 HG SER 28 HG SER 28 -32.337 -18.545 2.151 96 H SER 29 H SER 29 -34.533 -14.862 3.975 97 HA SER 29 HA SER 29 -32.967 -13.853 1.834 98 HB2 SER 29 HB1 SER 29 -35.790 -13.697 1.471 99 HB3 SER 29 HB2 SER 29 -35.193 -12.058 1.785 100 HG SER 29 HG SER 29 -33.869 -12.190 0.040 101 H ALA 30 H ALA 30 -31.549 -12.922 3.183 102 HA ALA 30 HA ALA 30 -32.372 -10.573 4.640 103 HB1 ALA 30 HB1 ALA 30 -31.702 -11.247 6.813 104 HB2 ALA 30 HB2 ALA 30 -32.794 -12.494 6.210 105 HB3 ALA 30 HB3 ALA 30 -31.053 -12.773 6.213 106 H ASP 31 H ASP 31 -30.950 -9.360 3.467 107 HA ASP 31 HA ASP 31 -28.106 -10.107 3.604 108 HB2 ASP 31 HB1 ASP 31 -27.796 -8.571 1.674 109 HB3 ASP 31 HB2 ASP 31 -28.888 -9.916 1.321 110 HD2 ASP 31 HD ASP 31 -31.254 -7.680 0.306 111 H LEU 32 H LEU 32 -26.668 -8.033 3.441 112 HA LEU 32 HA LEU 32 -27.724 -5.809 4.992 113 HB2 LEU 32 HB1 LEU 32 -26.145 -5.932 6.747 114 HB3 LEU 32 HB2 LEU 32 -26.874 -7.541 6.598 115 HG LEU 32 HG LEU 32 -24.685 -7.871 5.053 116 HD11 LEU 32 HD11 LEU 32 -24.054 -5.725 7.045 117 HD12 LEU 32 HD12 LEU 32 -23.619 -5.825 5.339 118 HD13 LEU 32 HD13 LEU 32 -22.820 -6.869 6.514 119 HD21 LEU 32 HD21 LEU 32 -25.423 -9.326 6.868 120 HD22 LEU 32 HD22 LEU 32 -24.814 -8.171 8.053 121 HD23 LEU 32 HD23 LEU 32 -23.693 -9.004 6.975 122 H HIS 33 H HIS 33 -26.482 -3.912 4.843 123 HA HIS 33 HA HIS 33 -23.961 -3.802 3.543 124 HB2 HIS 33 HB1 HIS 33 -26.200 -3.986 1.821 125 HB3 HIS 33 HB2 HIS 33 -25.647 -2.310 1.754 126 HD1 HIS 33 HD1 HIS 33 -24.510 -5.799 0.974 127 HD2 HIS 33 HD2 HIS 33 -23.212 -1.884 0.483 128 HE1 HIS 33 HE1 HIS 33 -22.557 -5.932 -0.603 129 HE2 HIS 33 HE2 HIS 33 -21.763 -3.539 -0.904 130 H GLY 34 H GLY 34 -23.106 -1.663 3.435 131 HA2 GLY 34 HA2 GLY 34 -24.545 0.672 4.031 132 HA3 GLY 34 HA3 GLY 34 -23.921 0.014 5.537 133 HA1 GLY 34 HA1 GLY 34 -23.991 0.326 3.434 134 H ALA 35 H ALA 35 -23.299 2.467 3.841 135 HA ALA 35 HA ALA 35 -20.510 2.524 4.388 136 HB1 ALA 35 HB1 ALA 35 -19.818 1.531 2.499 137 HB2 ALA 35 HB2 ALA 35 -21.365 1.771 1.686 138 HB3 ALA 35 HB3 ALA 35 -20.189 3.084 1.749 139 H ARG 36 H ARG 36 -20.383 4.513 5.186 140 HA ARG 36 HA ARG 36 -21.201 6.767 3.544 141 HB2 ARG 36 HB1 ARG 36 -22.347 7.833 5.538 142 HB3 ARG 36 HB2 ARG 36 -23.217 6.503 4.760 143 HG2 ARG 36 HG1 ARG 36 -23.263 5.312 6.634 144 HG3 ARG 36 HG2 ARG 36 -21.520 5.525 6.876 145 HD2 ARG 36 HD1 ARG 36 -22.619 6.481 8.770 146 HD3 ARG 36 HD2 ARG 36 -22.003 7.809 7.776 147 HE ARG 36 HE ARG 36 -24.151 8.516 7.486 148 HH11 ARG 36 HH11 ARG 36 -24.201 5.166 8.434 149 HH12 ARG 36 HH12 ARG 36 -25.927 5.093 8.561 150 HH21 ARG 36 HH21 ARG 36 -26.424 8.432 7.651 151 HH22 ARG 36 HH22 ARG 36 -27.191 6.951 8.115 152 H LYS 37 H LYS 37 -19.727 8.334 3.643 153 HA LYS 37 HA LYS 37 -18.204 8.794 6.073 154 HB2 LYS 37 HB1 LYS 37 -17.138 7.110 4.173 155 HB3 LYS 37 HB2 LYS 37 -16.440 8.678 3.738 156 HG2 LYS 37 HG1 LYS 37 -14.912 8.408 5.315 157 HG3 LYS 37 HG2 LYS 37 -16.203 8.458 6.529 158 HD2 LYS 37 HD1 LYS 37 -16.242 6.201 6.803 159 HD3 LYS 37 HD2 LYS 37 -15.824 5.890 5.108 160 HE2 LYS 37 HE1 LYS 37 -13.897 6.907 7.211 161 HE3 LYS 37 HE2 LYS 37 -14.036 5.224 6.682 162 HZ1 LYS 37 HZ1 LYS 37 -13.721 6.505 4.346 163 HZ2 LYS 37 HZ2 LYS 37 -12.458 5.809 5.229 164 HZ3 LYS 37 HZ3 LYS 37 -12.774 7.464 5.369 165 H GLY 38 H GLY 38 -16.893 10.774 5.950 166 HA2 GLY 38 HA2 GLY 38 -18.176 12.717 4.148 167 HA3 GLY 38 HA3 GLY 38 -17.435 13.102 5.694 168 HA1 GLY 38 HA1 GLY 38 -17.646 12.086 3.839 169 H SER 39 H SER 39 -15.943 11.008 3.317 170 HA SER 39 HA SER 39 -14.385 12.939 1.992 171 HB2 SER 39 HB1 SER 39 -13.540 12.640 4.599 172 HB3 SER 39 HB2 SER 39 -12.484 11.522 3.719 173 HG SER 39 HG SER 39 -11.401 13.293 3.331 174 H GLN 40 H GLN 40 -12.669 11.966 0.675 175 HA GLN 40 HA GLN 40 -13.491 9.406 -0.318 176 HB2 GLN 40 HB1 GLN 40 -12.689 11.282 -1.762 177 HB3 GLN 40 HB2 GLN 40 -11.066 11.028 -1.102 178 HG2 GLN 40 HG1 GLN 40 -11.042 9.903 -3.143 179 HG3 GLN 40 HG2 GLN 40 -11.272 8.634 -1.931 180 HE21 GLN 40 HE21 GLN 40 -13.457 7.857 -1.583 181 HE22 GLN 40 HE22 GLN 40 -14.570 7.848 -2.903 182 H CYS 41 H CYS 41 -10.276 10.556 0.723 183 HA CYS 41 HA CYS 41 -9.863 8.011 2.110 184 HB2 CYS 41 HB1 CYS 41 -7.749 7.592 1.088 185 HB3 CYS 41 HB2 CYS 41 -8.910 7.858 -0.214 186 H LEU 42 H LEU 42 -8.246 8.072 3.737 187 HA LEU 42 HA LEU 42 -7.636 10.802 4.650 188 HB2 LEU 42 HB1 LEU 42 -8.597 8.402 5.975 189 HB3 LEU 42 HB2 LEU 42 -7.148 9.057 6.757 190 HG LEU 42 HG LEU 42 -9.597 10.719 6.200 191 HD11 LEU 42 HD11 LEU 42 -9.709 8.597 7.823 192 HD12 LEU 42 HD12 LEU 42 -10.565 10.104 8.147 193 HD13 LEU 42 HD13 LEU 42 -9.025 9.777 8.941 194 HD21 LEU 42 HD21 LEU 42 -7.068 11.488 6.842 195 HD22 LEU 42 HD22 LEU 42 -7.806 11.336 8.438 196 HD23 LEU 42 HD23 LEU 42 -8.527 12.400 7.229 197 H SER 43 H SER 43 -6.274 7.742 3.767 198 HA SER 43 HA SER 43 -3.647 8.847 3.611 199 HB2 SER 43 HB1 SER 43 -2.603 7.995 5.433 200 HB3 SER 43 HB2 SER 43 -4.236 7.966 6.121 201 HG SER 43 HG SER 43 -3.348 5.936 6.371 202 H ASP 44 H ASP 44 -2.022 7.004 3.090 203 HA ASP 44 HA ASP 44 -2.818 5.739 0.760 204 HB2 ASP 44 HB1 ASP 44 -0.720 4.699 0.719 205 HB3 ASP 44 HB2 ASP 44 -0.445 6.163 1.674 206 HD2 ASP 44 HD ASP 44 0.446 4.358 4.445 207 H THR 45 H THR 45 -3.066 4.668 4.067 208 HA THR 45 HA THR 45 -3.445 1.924 3.663 209 HB THR 45 HB THR 45 -4.446 1.844 5.842 210 HG1 THR 45 HG1 THR 45 -5.495 3.507 6.710 211 HG21 THR 45 HG21 THR 45 -1.990 3.092 5.320 212 HG22 THR 45 HG22 THR 45 -2.495 2.310 6.819 213 HG23 THR 45 HG23 THR 45 -2.745 4.041 6.599 214 H ASP 46 H ASP 46 -5.539 4.619 3.089 215 HA ASP 46 HA ASP 46 -8.004 3.201 3.101 216 HB2 ASP 46 HB1 ASP 46 -7.397 5.815 3.104 217 HB3 ASP 46 HB2 ASP 46 -7.703 5.603 1.376 218 HD2 ASP 46 HD ASP 46 -10.760 5.358 3.870 219 H CYS 47 H CYS 47 -5.500 3.711 0.736 220 HA CYS 47 HA CYS 47 -7.038 2.937 -1.540 221 HB2 CYS 47 HB1 CYS 47 -4.618 4.146 -1.192 222 HB3 CYS 47 HB2 CYS 47 -4.120 2.515 -1.642 223 H ASN 48 H ASN 48 -7.777 0.968 -1.932 224 HA ASN 48 HA ASN 48 -7.221 -1.320 -0.493 225 HB2 ASN 48 HB1 ASN 48 -8.905 -0.646 -2.585 226 HB3 ASN 48 HB2 ASN 48 -7.862 -1.889 -3.289 227 HD21 ASN 48 HD21 ASN 48 -10.699 -1.988 -2.616 228 HD22 ASN 48 HD22 ASN 48 -10.885 -3.322 -1.535 229 H THR 49 H THR 49 -6.088 -0.713 -3.823 230 HA THR 49 HA THR 49 -4.220 -2.822 -3.827 231 HB THR 49 HB THR 49 -3.371 -0.737 -5.606 232 HG1 THR 49 HG1 THR 49 -6.140 -1.370 -5.807 233 HG21 THR 49 HG21 THR 49 -3.631 -2.382 -7.239 234 HG22 THR 49 HG22 THR 49 -4.971 -3.150 -6.389 235 HG23 THR 49 HG23 THR 49 -3.326 -3.318 -5.775 236 H ARG 50 H ARG 50 -1.810 -2.232 -4.434 237 HA ARG 50 HA ARG 50 -0.714 -0.994 -2.073 238 HB2 ARG 50 HB1 ARG 50 1.475 -1.674 -3.027 239 HB3 ARG 50 HB2 ARG 50 0.326 -3.013 -2.885 240 HG2 ARG 50 HG1 ARG 50 0.146 -1.716 -5.476 241 HG3 ARG 50 HG2 ARG 50 1.778 -2.318 -5.133 242 HD2 ARG 50 HD1 ARG 50 1.159 -4.463 -5.342 243 HD3 ARG 50 HD2 ARG 50 -0.298 -4.210 -4.372 244 HE ARG 50 HE ARG 50 -1.496 -4.053 -6.305 245 HH11 ARG 50 HH11 ARG 50 1.856 -3.449 -7.023 246 HH12 ARG 50 HH12 ARG 50 1.610 -3.372 -8.735 247 HH21 ARG 50 HH21 ARG 50 -1.833 -3.955 -8.559 248 HH22 ARG 50 HH22 ARG 50 -0.488 -3.659 -9.609 249 H LYS 51 H LYS 51 -1.925 1.050 -3.041 250 HA LYS 51 HA LYS 51 0.164 2.661 -4.342 251 HB2 LYS 51 HB1 LYS 51 -2.789 2.998 -4.889 252 HB3 LYS 51 HB2 LYS 51 -1.435 3.775 -5.726 253 HG2 LYS 51 HG1 LYS 51 -0.740 1.619 -6.645 254 HG3 LYS 51 HG2 LYS 51 -2.090 0.836 -5.804 255 HD2 LYS 51 HD1 LYS 51 -2.787 3.145 -7.527 256 HD3 LYS 51 HD2 LYS 51 -2.227 1.680 -8.353 257 HE2 LYS 51 HE1 LYS 51 -4.074 0.485 -7.798 258 HE3 LYS 51 HE2 LYS 51 -4.210 1.260 -6.212 259 HZ1 LYS 51 HZ1 LYS 51 -4.736 3.227 -8.087 260 HZ2 LYS 51 HZ2 LYS 51 -5.840 2.483 -7.043 261 HZ3 LYS 51 HZ3 LYS 51 -5.596 1.863 -8.598 262 H PHE 52 H PHE 52 -0.132 5.015 -3.990 263 HA PHE 52 HA PHE 52 -1.099 5.485 -1.260 264 HB2 PHE 52 HB1 PHE 52 0.299 7.571 -1.400 265 HB3 PHE 52 HB2 PHE 52 1.208 6.063 -1.513 266 HD1 PHE 52 HD1 PHE 52 2.730 5.761 -3.217 267 HD2 PHE 52 HD2 PHE 52 -0.372 8.636 -3.692 268 HE1 PHE 52 HE1 PHE 52 3.743 6.499 -5.335 269 HE2 PHE 52 HE2 PHE 52 0.636 9.379 -5.809 270 HZ PHE 52 HZ PHE 52 2.696 8.310 -6.635 271 H CYS 53 H CYS 53 -2.014 7.681 -0.828 272 HA CYS 53 HA CYS 53 -3.908 8.370 -2.964 273 HB2 CYS 53 HB1 CYS 53 -4.301 7.821 -0.269 274 HB3 CYS 53 HB2 CYS 53 -4.412 9.579 -0.357 275 H LEU 54 H LEU 54 -2.863 9.865 -4.193 276 HA LEU 54 HA LEU 54 -1.314 11.990 -3.047 277 HB2 LEU 54 HB1 LEU 54 -0.689 11.137 -5.200 278 HB3 LEU 54 HB2 LEU 54 -2.306 11.473 -5.844 279 HG LEU 54 HG LEU 54 -1.303 13.939 -4.938 280 HD11 LEU 54 HD11 LEU 54 0.750 12.324 -6.432 281 HD12 LEU 54 HD12 LEU 54 0.933 13.140 -4.879 282 HD13 LEU 54 HD13 LEU 54 0.760 14.086 -6.357 283 HD21 LEU 54 HD21 LEU 54 -2.692 13.031 -7.037 284 HD22 LEU 54 HD22 LEU 54 -1.121 13.253 -7.808 285 HD23 LEU 54 HD23 LEU 54 -1.912 14.613 -7.011 286 H GLN 55 H GLN 55 -2.021 13.885 -2.326 287 HA GLN 55 HA GLN 55 -4.741 14.734 -3.073 288 HB2 GLN 55 HB1 GLN 55 -4.652 16.050 -0.905 289 HB3 GLN 55 HB2 GLN 55 -4.741 14.289 -0.749 290 HG2 GLN 55 HG1 GLN 55 -2.687 14.110 0.166 291 HG3 GLN 55 HG2 GLN 55 -2.030 15.441 -0.795 292 HE21 GLN 55 HE21 GLN 55 -2.548 17.615 -0.141 293 HE22 GLN 55 HE22 GLN 55 -2.847 17.960 1.525 294 HA PRO 56 HA PRO 56 -2.019 17.896 -4.963 295 HB2 PRO 56 HB1 PRO 56 -3.723 18.427 -7.040 296 HB3 PRO 56 HB2 PRO 56 -2.569 17.095 -7.044 297 HG2 PRO 56 HG1 PRO 56 -5.491 17.079 -6.365 298 HG3 PRO 56 HG2 PRO 56 -4.553 15.934 -7.396 299 HD2 PRO 56 HD1 PRO 56 -5.260 15.364 -4.837 300 HD3 PRO 56 HD2 PRO 56 -3.747 14.793 -5.562 301 H ARG 57 H ARG 57 -2.216 20.142 -5.003 302 HA ARG 57 HA ARG 57 -4.310 21.207 -3.319 303 HB2 ARG 57 HB1 ARG 57 -1.708 21.813 -3.517 304 HB3 ARG 57 HB2 ARG 57 -2.360 23.012 -4.644 305 HG2 ARG 57 HG1 ARG 57 -3.448 24.187 -3.015 306 HG3 ARG 57 HG2 ARG 57 -3.639 22.765 -1.976 307 HD2 ARG 57 HD1 ARG 57 -1.085 22.838 -1.701 308 HD3 ARG 57 HD2 ARG 57 -1.197 24.463 -2.390 309 HE ARG 57 HE ARG 57 -2.975 24.037 -0.172 310 HH11 ARG 57 HH11 ARG 57 0.251 24.938 -1.124 311 HH12 ARG 57 HH12 ARG 57 0.568 25.834 0.325 312 HH21 ARG 57 HH21 ARG 57 -2.568 25.213 1.740 313 HH22 ARG 57 HH22 ARG 57 -1.036 25.989 1.953 314 H ASP 58 H ASP 58 -3.302 21.421 -6.687 315 HA ASP 58 HA ASP 58 -5.306 23.388 -7.345 316 HB2 ASP 58 HB1 ASP 58 -3.210 21.874 -8.858 317 HB3 ASP 58 HB2 ASP 58 -4.535 22.629 -9.753 318 HD2 ASP 58 HD ASP 58 -3.431 25.850 -8.628 319 H GLU 59 H GLU 59 -5.084 19.951 -7.220 320 HA GLU 59 HA GLU 59 -7.715 19.743 -8.533 321 HB2 GLU 59 HB1 GLU 59 -5.344 17.888 -8.588 322 HB3 GLU 59 HB2 GLU 59 -6.978 17.306 -8.941 323 HG2 GLU 59 HG1 GLU 59 -6.896 18.078 -11.016 324 HG3 GLU 59 HG2 GLU 59 -6.418 19.684 -10.451 325 HE2 GLU 59 HE GLU 59 -3.398 19.103 -11.968 326 H LYS 60 H LYS 60 -8.633 17.394 -7.850 327 HA LYS 60 HA LYS 60 -8.965 17.595 -4.966 328 HB2 LYS 60 HB1 LYS 60 -10.508 16.498 -7.226 329 HB3 LYS 60 HB2 LYS 60 -10.591 15.543 -5.737 330 HG2 LYS 60 HG1 LYS 60 -10.996 18.050 -4.764 331 HG3 LYS 60 HG2 LYS 60 -11.750 18.162 -6.363 332 HD2 LYS 60 HD1 LYS 60 -12.737 15.782 -5.578 333 HD3 LYS 60 HD2 LYS 60 -12.540 16.568 -4.001 334 HE2 LYS 60 HE1 LYS 60 -13.849 18.076 -6.236 335 HE3 LYS 60 HE2 LYS 60 -14.765 16.842 -5.357 336 HZ1 LYS 60 HZ1 LYS 60 -14.776 18.059 -3.457 337 HZ2 LYS 60 HZ2 LYS 60 -14.699 19.334 -4.567 338 HZ3 LYS 60 HZ3 LYS 60 -13.296 18.816 -3.778 339 HA PRO 61 HA PRO 61 -6.571 14.097 -3.834 340 HB2 PRO 61 HB1 PRO 61 -8.108 12.927 -1.891 341 HB3 PRO 61 HB2 PRO 61 -7.249 14.450 -1.667 342 HG2 PRO 61 HG1 PRO 61 -10.121 13.977 -2.391 343 HG3 PRO 61 HG2 PRO 61 -9.422 15.121 -1.184 344 HD2 PRO 61 HD1 PRO 61 -10.260 15.914 -3.641 345 HD3 PRO 61 HD2 PRO 61 -8.884 16.662 -2.812 346 H PHE 62 H PHE 62 -6.261 11.946 -4.288 347 HA PHE 62 HA PHE 62 -8.367 10.110 -4.797 348 HB2 PHE 62 HB1 PHE 62 -7.900 9.774 -7.230 349 HB3 PHE 62 HB2 PHE 62 -8.669 11.317 -6.854 350 HD1 PHE 62 HD1 PHE 62 -7.754 13.308 -7.604 351 HD2 PHE 62 HD2 PHE 62 -5.327 9.814 -7.473 352 HE1 PHE 62 HE1 PHE 62 -5.954 14.518 -8.768 353 HE2 PHE 62 HE2 PHE 62 -3.524 11.017 -8.636 354 HZ PHE 62 HZ PHE 62 -3.836 13.373 -9.285 355 H CYS 63 H CYS 63 -7.379 8.115 -6.057 356 HA CYS 63 HA CYS 63 -4.884 7.498 -4.666 357 HB2 CYS 63 HB1 CYS 63 -7.207 5.959 -5.637 358 HB3 CYS 63 HB2 CYS 63 -5.647 5.162 -5.862 359 H ALA 64 H ALA 64 -3.010 7.576 -5.695 360 HA ALA 64 HA ALA 64 -3.001 7.302 -8.630 361 HB1 ALA 64 HB1 ALA 64 -0.709 8.557 -8.276 362 HB2 ALA 64 HB2 ALA 64 -2.235 9.439 -8.361 363 HB3 ALA 64 HB3 ALA 64 -1.500 9.097 -6.795 364 H THR 65 H THR 65 -1.536 5.949 -9.592 365 HA THR 65 HA THR 65 -0.708 3.661 -8.293 366 HB THR 65 HB THR 65 1.146 3.847 -10.306 367 HG1 THR 65 HG1 THR 65 0.581 5.644 -11.323 368 HG21 THR 65 HG21 THR 65 -0.421 2.012 -9.979 369 HG22 THR 65 HG22 THR 65 -0.475 2.571 -11.651 370 HG23 THR 65 HG23 THR 65 -1.753 3.030 -10.525 371 H CYS 66 H CYS 66 1.637 2.897 -8.161 372 HA CYS 66 HA CYS 66 3.014 4.618 -6.328 373 HB2 CYS 66 HB1 CYS 66 3.108 1.825 -7.135 374 HB3 CYS 66 HB2 CYS 66 4.727 2.506 -6.963 375 H ARG 67 H ARG 67 5.525 4.720 -6.606 376 HA ARG 67 HA ARG 67 6.032 5.812 -9.291 377 HB2 ARG 67 HB1 ARG 67 7.588 6.463 -6.787 378 HB3 ARG 67 HB2 ARG 67 7.559 7.349 -8.319 379 HG2 ARG 67 HG1 ARG 67 4.976 7.564 -7.712 380 HG3 ARG 67 HG2 ARG 67 5.630 7.382 -6.075 381 HD2 ARG 67 HD1 ARG 67 6.433 9.466 -6.062 382 HD3 ARG 67 HD2 ARG 67 7.215 9.228 -7.632 383 HE ARG 67 HE ARG 67 4.534 9.559 -8.175 384 HH11 ARG 67 HH11 ARG 67 7.060 11.408 -6.652 385 HH12 ARG 67 HH12 ARG 67 6.384 12.940 -7.094 386 HH21 ARG 67 HH21 ARG 67 3.634 11.571 -8.763 387 HH22 ARG 67 HH22 ARG 67 4.434 13.032 -8.294 388 H GLY 68 H GLY 68 8.695 5.978 -9.410 389 HA2 GLY 68 HA2 GLY 68 9.533 3.154 -9.267 390 HA3 GLY 68 HA3 GLY 68 10.123 4.319 -10.443 391 HA1 GLY 68 HA1 GLY 68 9.427 3.653 -8.549 392 H LEU 69 H LEU 69 12.192 3.324 -9.597 393 HA LEU 69 HA LEU 69 13.066 4.167 -6.988 394 HB2 LEU 69 HB1 LEU 69 14.287 2.697 -9.289 395 HB3 LEU 69 HB2 LEU 69 15.337 3.379 -8.036 396 HG LEU 69 HG LEU 69 13.148 1.354 -7.577 397 HD11 LEU 69 HD11 LEU 69 14.877 0.218 -8.676 398 HD12 LEU 69 HD12 LEU 69 15.167 -0.072 -6.960 399 HD13 LEU 69 HD13 LEU 69 16.130 1.124 -7.828 400 HD21 LEU 69 HD21 LEU 69 14.211 1.195 -5.320 401 HD22 LEU 69 HD22 LEU 69 13.372 2.716 -5.631 402 HD23 LEU 69 HD23 LEU 69 15.134 2.646 -5.717 403 H ARG 70 H ARG 70 13.178 5.415 -10.210 404 HA ARG 70 HA ARG 70 15.284 7.319 -9.621 405 HB2 ARG 70 HB1 ARG 70 13.510 6.982 -12.052 406 HB3 ARG 70 HB2 ARG 70 14.852 8.130 -11.927 407 HG2 ARG 70 HG1 ARG 70 15.396 5.242 -11.418 408 HG3 ARG 70 HG2 ARG 70 15.165 5.798 -13.084 409 HD2 ARG 70 HD1 ARG 70 16.935 7.541 -11.545 410 HD3 ARG 70 HD2 ARG 70 17.523 5.877 -11.656 411 HE ARG 70 HE ARG 70 16.747 6.621 -14.212 412 HH11 ARG 70 HH11 ARG 70 19.094 7.600 -11.834 413 HH12 ARG 70 HH12 ARG 70 20.243 8.154 -13.006 414 HH21 ARG 70 HH21 ARG 70 18.253 7.347 -15.764 415 HH22 ARG 70 HH22 ARG 70 19.764 8.011 -15.241 416 H ARG 71 H ARG 71 11.872 7.141 -9.413 417 HA ARG 71 HA ARG 71 11.234 9.880 -9.722 418 HB2 ARG 71 HB1 ARG 71 9.882 7.434 -8.890 419 HB3 ARG 71 HB2 ARG 71 9.345 8.849 -7.972 420 HG2 ARG 71 HG1 ARG 71 7.946 8.433 -9.948 421 HG3 ARG 71 HG2 ARG 71 8.760 10.007 -10.009 422 HD2 ARG 71 HD1 ARG 71 10.410 9.181 -11.551 423 HD3 ARG 71 HD2 ARG 71 9.806 7.528 -11.367 424 HE ARG 71 HE ARG 71 8.110 8.007 -12.841 425 HH11 ARG 71 HH11 ARG 71 9.656 10.962 -11.843 426 HH12 ARG 71 HH12 ARG 71 8.836 11.940 -13.015 427 HH21 ARG 71 HH21 ARG 71 7.025 9.283 -14.389 428 HH22 ARG 71 HH22 ARG 71 7.340 10.984 -14.462 429 H ARG 72 H ARG 72 10.911 11.497 -8.198 430 HA ARG 72 HA ARG 72 12.626 11.358 -5.895 431 HB2 ARG 72 HB1 ARG 72 10.739 13.546 -6.800 432 HB3 ARG 72 HB2 ARG 72 11.976 13.702 -5.545 433 HG2 ARG 72 HG1 ARG 72 13.053 12.729 -8.076 434 HG3 ARG 72 HG2 ARG 72 12.291 14.324 -8.198 435 HD2 ARG 72 HD1 ARG 72 14.316 13.620 -6.068 436 HD3 ARG 72 HD2 ARG 72 14.749 14.323 -7.632 437 HE ARG 72 HE ARG 72 12.769 15.918 -6.442 438 HH11 ARG 72 HH11 ARG 72 16.111 15.040 -6.025 439 HH12 ARG 72 HH12 ARG 72 16.544 16.534 -5.263 440 HH21 ARG 72 HH21 ARG 72 13.326 17.889 -5.440 441 HH22 ARG 72 HH22 ARG 72 14.959 18.154 -4.929 442 H CYS 73 H CYS 73 11.915 11.951 -3.720 443 HA CYS 73 HA CYS 73 9.116 11.594 -3.074 444 HB2 CYS 73 HB1 CYS 73 9.469 9.713 -1.558 445 HB3 CYS 73 HB2 CYS 73 9.903 9.274 -3.209 446 H GLN 74 H GLN 74 8.645 12.045 -0.825 447 HA GLN 74 HA GLN 74 10.755 13.657 0.452 448 HB2 GLN 74 HB1 GLN 74 8.599 14.771 -0.504 449 HB3 GLN 74 HB2 GLN 74 7.834 14.111 0.951 450 HG2 GLN 74 HG1 GLN 74 9.053 15.455 2.383 451 HG3 GLN 74 HG2 GLN 74 10.328 15.731 1.189 452 HE21 GLN 74 HE21 GLN 74 7.959 17.228 2.776 453 HE22 GLN 74 HE22 GLN 74 7.527 18.448 1.633 454 H ARG 75 H ARG 75 8.383 11.165 0.836 455 HA ARG 75 HA ARG 75 9.258 10.813 3.627 456 HB2 ARG 75 HB1 ARG 75 6.484 10.406 2.486 457 HB3 ARG 75 HB2 ARG 75 6.982 9.906 4.109 458 HG2 ARG 75 HG1 ARG 75 7.341 12.168 4.792 459 HG3 ARG 75 HG2 ARG 75 7.105 12.748 3.134 460 HD2 ARG 75 HD1 ARG 75 4.791 12.212 3.161 461 HD3 ARG 75 HD2 ARG 75 4.969 11.271 4.651 462 HE ARG 75 HE ARG 75 4.578 14.088 4.447 463 HH11 ARG 75 HH11 ARG 75 6.074 11.600 6.368 464 HH12 ARG 75 HH12 ARG 75 6.035 12.525 7.832 465 HH21 ARG 75 HH21 ARG 75 4.521 15.316 6.368 466 HH22 ARG 75 HH22 ARG 75 5.151 14.639 7.831 467 H ASP 76 H ASP 76 8.884 8.544 4.415 468 HA ASP 76 HA ASP 76 10.013 6.711 2.501 469 HB2 ASP 76 HB1 ASP 76 9.082 6.003 5.282 470 HB3 ASP 76 HB2 ASP 76 10.361 5.243 4.324 471 HD2 ASP 76 HD ASP 76 12.504 8.030 5.001 472 H ALA 77 H ALA 77 6.958 7.040 4.252 473 HA ALA 77 HA ALA 77 5.814 4.630 3.270 474 HB1 ALA 77 HB1 ALA 77 4.685 5.262 5.130 475 HB2 ALA 77 HB2 ALA 77 4.858 6.983 4.787 476 HB3 ALA 77 HB3 ALA 77 3.643 6.033 3.934 477 H MET 78 H MET 78 6.136 7.834 1.997 478 HA MET 78 HA MET 78 4.014 7.952 0.207 479 HB2 MET 78 HB1 MET 78 6.641 9.242 0.493 480 HB3 MET 78 HB2 MET 78 6.036 9.190 -1.169 481 HG2 MET 78 HG1 MET 78 4.303 10.172 1.077 482 HG3 MET 78 HG2 MET 78 5.473 11.228 0.283 483 HE1 MET 78 HE1 MET 78 5.757 11.440 -2.033 484 HE2 MET 78 HE2 MET 78 4.757 10.719 -3.294 485 HE3 MET 78 HE3 MET 78 4.399 12.342 -2.704 486 H CYS 79 H CYS 79 6.908 6.055 0.113 487 HA CYS 79 HA CYS 79 6.446 5.317 -2.684 488 HB2 CYS 79 HB1 CYS 79 8.764 5.274 -0.849 489 HB3 CYS 79 HB2 CYS 79 8.645 3.897 -1.946 490 H CYS 80 H CYS 80 6.361 3.084 -3.307 491 HA CYS 80 HA CYS 80 4.527 1.549 -1.931 492 HB2 CYS 80 HB1 CYS 80 6.362 1.152 -4.184 493 HB3 CYS 80 HB2 CYS 80 5.990 -0.338 -3.314 494 HA PRO 81 HA PRO 81 6.586 -0.548 1.324 495 HB2 PRO 81 HB1 PRO 81 5.482 -3.053 1.211 496 HB3 PRO 81 HB2 PRO 81 4.605 -1.626 1.760 497 HG2 PRO 81 HG1 PRO 81 4.616 -2.931 -0.942 498 HG3 PRO 81 HG2 PRO 81 3.220 -2.333 0.030 499 HD2 PRO 81 HD1 PRO 81 4.263 -0.936 -2.050 500 HD3 PRO 81 HD2 PRO 81 3.578 -0.150 -0.617 501 H GLY 82 H GLY 82 8.685 -1.055 1.272 502 HA2 GLY 82 HA2 GLY 82 10.100 -3.135 0.989 503 HA3 GLY 82 HA3 GLY 82 9.586 -3.069 -0.690 504 HA1 GLY 82 HA1 GLY 82 10.085 -2.286 1.221 505 H THR 83 H THR 83 9.757 0.012 -0.271 506 HA THR 83 HA THR 83 12.662 0.172 -0.749 507 HB THR 83 HB THR 83 12.018 2.307 -2.046 508 HG1 THR 83 HG1 THR 83 9.877 2.193 -2.916 509 HG21 THR 83 HG21 THR 83 12.624 0.976 -3.726 510 HG22 THR 83 HG22 THR 83 10.968 0.376 -3.820 511 HG23 THR 83 HG23 THR 83 12.147 -0.449 -2.804 512 H LEU 84 H LEU 84 13.508 2.474 -0.399 513 HA LEU 84 HA LEU 84 12.194 3.760 1.889 514 HB2 LEU 84 HB1 LEU 84 14.567 2.220 2.003 515 HB3 LEU 84 HB2 LEU 84 15.031 3.921 2.190 516 HG LEU 84 HG LEU 84 13.344 4.074 4.050 517 HD11 LEU 84 HD11 LEU 84 12.947 1.289 3.232 518 HD12 LEU 84 HD12 LEU 84 11.870 2.388 4.091 519 HD13 LEU 84 HD13 LEU 84 13.132 1.526 4.969 520 HD21 LEU 84 HD21 LEU 84 14.813 2.587 5.596 521 HD22 LEU 84 HD22 LEU 84 15.526 3.988 4.798 522 HD23 LEU 84 HD23 LEU 84 15.797 2.370 4.149 523 H CYS 85 H CYS 85 12.378 5.961 1.978 524 HA CYS 85 HA CYS 85 13.168 7.288 -0.441 525 HB2 CYS 85 HB1 CYS 85 11.205 7.875 1.128 526 HB3 CYS 85 HB2 CYS 85 12.423 8.666 2.131 527 H VAL 86 H VAL 86 15.192 7.816 -0.896 528 HA VAL 86 HA VAL 86 16.889 8.901 1.238 529 HB VAL 86 HB VAL 86 17.870 6.888 -0.790 530 HG11 VAL 86 HG11 VAL 86 19.957 6.974 0.349 531 HG12 VAL 86 HG12 VAL 86 19.482 8.640 0.014 532 HG13 VAL 86 HG13 VAL 86 19.285 7.976 1.636 533 HG21 VAL 86 HG21 VAL 86 16.387 5.866 0.888 534 HG22 VAL 86 HG22 VAL 86 18.056 5.322 1.055 535 HG23 VAL 86 HG23 VAL 86 17.404 6.523 2.169 536 H ASN 87 H ASN 87 18.054 10.646 0.656 537 HA ASN 87 HA ASN 87 18.754 12.425 -0.577 538 HB2 ASN 87 HB1 ASN 87 19.172 10.120 -2.463 539 HB3 ASN 87 HB2 ASN 87 19.507 11.774 -2.988 540 HD21 ASN 87 HD21 ASN 87 21.672 11.724 -3.122 541 HD22 ASN 87 HD22 ASN 87 22.729 11.415 -1.790 542 H ASP 88 H ASP 88 15.938 11.928 -0.467 543 HA ASP 88 HA ASP 88 14.004 12.740 -1.350 544 HB2 ASP 88 HB1 ASP 88 16.006 14.548 -2.123 545 HB3 ASP 88 HB2 ASP 88 15.063 14.245 -3.587 546 HD2 ASP 88 HD ASP 88 13.312 16.153 -0.593 547 H VAL 89 H VAL 89 15.356 10.317 -2.436 548 HA VAL 89 HA VAL 89 13.691 10.058 -4.824 549 HB VAL 89 HB VAL 89 16.612 9.282 -4.770 550 HG11 VAL 89 HG11 VAL 89 16.130 8.752 -7.212 551 HG12 VAL 89 HG12 VAL 89 15.507 7.618 -6.012 552 HG13 VAL 89 HG13 VAL 89 14.424 8.787 -6.769 553 HG21 VAL 89 HG21 VAL 89 15.099 11.521 -6.053 554 HG22 VAL 89 HG22 VAL 89 16.635 11.560 -5.186 555 HG23 VAL 89 HG23 VAL 89 16.558 10.887 -6.815 556 H CYS 90 H CYS 90 12.846 8.036 -5.132 557 HA CYS 90 HA CYS 90 12.686 6.312 -2.914 558 HB2 CYS 90 HB1 CYS 90 11.193 6.660 -5.130 559 HB3 CYS 90 HB2 CYS 90 12.075 5.206 -5.599 560 H THR 91 H THR 91 14.419 5.258 -2.172 561 HA THR 91 HA THR 91 16.092 3.798 -4.110 562 HB THR 91 HB THR 91 16.911 4.699 -1.343 563 HG1 THR 91 HG1 THR 91 17.246 5.878 -3.901 564 HG21 THR 91 HG21 THR 91 18.703 3.835 -3.596 565 HG22 THR 91 HG22 THR 91 18.027 2.675 -2.454 566 HG23 THR 91 HG23 THR 91 19.078 3.969 -1.879 567 H THR 92 H THR 92 15.948 1.661 -4.053 568 HA THR 92 HA THR 92 14.286 0.201 -2.405 569 HB THR 92 HB THR 92 16.595 -1.379 -3.198 570 HG1 THR 92 HG1 THR 92 16.702 -0.839 -5.298 571 HG21 THR 92 HG21 THR 92 14.897 -2.638 -4.417 572 HG22 THR 92 HG22 THR 92 13.729 -1.342 -4.152 573 HG23 THR 92 HG23 THR 92 14.342 -2.271 -2.784 574 H MET 93 H MET 93 14.671 -1.258 -0.670 575 HA MET 93 HA MET 93 16.239 -0.217 1.410 576 HB2 MET 93 HB1 MET 93 14.397 -2.400 1.019 577 HB3 MET 93 HB2 MET 93 15.787 -2.941 1.972 578 HG2 MET 93 HG1 MET 93 15.394 -1.360 3.672 579 HG3 MET 93 HG2 MET 93 14.282 -0.441 2.655 580 HE1 MET 93 HE1 MET 93 13.465 -0.563 5.111 581 HE2 MET 93 HE2 MET 93 11.801 -0.734 4.552 582 HE3 MET 93 HE3 MET 93 12.444 -1.846 5.762 583 H GLU 94 H GLU 94 16.829 -2.838 -0.880 584 HA GLU 94 HA GLU 94 19.234 -3.746 0.327 585 HB2 GLU 94 HB1 GLU 94 18.352 -4.028 -2.554 586 HB3 GLU 94 HB2 GLU 94 19.577 -5.002 -1.726 587 HG2 GLU 94 HG1 GLU 94 17.531 -5.471 -0.084 588 HG3 GLU 94 HG2 GLU 94 16.628 -5.131 -1.567 589 HE2 GLU 94 HE GLU 94 18.002 -8.662 -1.225 590 H ASP 95 H ASP 95 18.460 -1.182 -1.875 591 HA ASP 95 HA ASP 95 21.151 -0.786 -2.804 592 HB2 ASP 95 HB1 ASP 95 18.524 0.266 -3.396 593 HB3 ASP 95 HB2 ASP 95 19.691 1.583 -3.205 594 HD2 ASP 95 HD ASP 95 20.481 0.968 -6.494 595 H ALA 96 H ALA 96 19.034 0.729 -0.409 596 HA ALA 96 HA ALA 96 20.582 2.900 0.319 597 HB1 ALA 96 HB1 ALA 96 18.291 1.630 1.296 598 HB2 ALA 96 HB2 ALA 96 19.409 1.707 2.658 599 HB3 ALA 96 HB3 ALA 96 18.956 3.182 1.805 600 H THR 97 H THR 97 21.852 3.189 2.337 601 HA THR 97 HA THR 97 23.662 2.734 3.642 602 HB THR 97 HB THR 97 23.183 -0.213 3.472 603 HG1 THR 97 HG1 THR 97 21.532 0.141 5.133 604 HG21 THR 97 HG21 THR 97 23.598 1.411 5.953 605 HG22 THR 97 HG22 THR 97 24.961 1.061 4.891 606 HG23 THR 97 HG23 THR 97 24.049 -0.260 5.621 607 H GLU 98 H GLU 98 25.283 3.321 2.246 608 HA GLU 98 HA GLU 98 26.931 1.191 1.239 609 HB2 GLU 98 HB1 GLU 98 25.031 2.174 -0.516 610 HB3 GLU 98 HB2 GLU 98 26.486 3.093 -0.931 611 HG2 GLU 98 HG1 GLU 98 26.412 0.086 -0.734 612 HG3 GLU 98 HG2 GLU 98 26.152 0.989 -2.233 613 HE2 GLU 98 HE GLU 98 29.518 1.481 -2.678 614 H ASN 99 H ASN 99 29.012 1.750 1.399 615 HA ASN 99 HA ASN 99 29.743 4.587 1.312 616 HB2 ASN 99 HB1 ASN 99 30.156 2.676 3.584 617 HB3 ASN 99 HB2 ASN 99 31.374 3.921 3.274 618 HD21 ASN 99 HD21 ASN 99 28.749 3.261 5.061 619 HD22 ASN 99 HD22 ASN 99 28.166 4.860 5.356 620 H LEU 100 H LEU 100 31.408 1.527 2.066 621 HA LEU 100 HA LEU 100 33.275 0.561 1.199 622 HB2 LEU 100 HB1 LEU 100 31.546 1.126 -0.923 623 HB3 LEU 100 HB2 LEU 100 33.144 1.671 -1.465 624 HG LEU 100 HG LEU 100 33.689 -0.819 -0.449 625 HD11 LEU 100 HD11 LEU 100 31.302 -1.339 -2.127 626 HD12 LEU 100 HD12 LEU 100 31.037 -0.921 -0.435 627 HD13 LEU 100 HD13 LEU 100 32.030 -2.317 -0.853 628 HD21 LEU 100 HD21 LEU 100 34.031 -1.459 -2.726 629 HD22 LEU 100 HD22 LEU 100 34.452 0.247 -2.572 630 HD23 LEU 100 HD23 LEU 100 32.913 -0.221 -3.298 631 H TYR 101 H TYR 101 33.356 3.376 2.213 632 HA TYR 101 HA TYR 101 36.040 3.972 1.252 633 HB2 TYR 101 HB1 TYR 101 33.768 5.439 0.374 634 HB3 TYR 101 HB2 TYR 101 34.663 6.473 1.490 635 HD1 TYR 101 HD1 TYR 101 34.737 4.822 -1.761 636 HD2 TYR 101 HD2 TYR 101 36.960 7.172 1.001 637 HE1 TYR 101 HE1 TYR 101 36.349 5.371 -3.536 638 HE2 TYR 101 HE2 TYR 101 38.579 7.728 -0.765 639 HH TYR 101 HH TYR 101 38.895 7.725 -3.040 640 H PHE 102 H PHE 102 37.096 5.668 2.606 641 HA PHE 102 HA PHE 102 35.980 5.758 5.326 642 HB2 PHE 102 HB1 PHE 102 38.125 5.298 6.299 643 HB3 PHE 102 HB2 PHE 102 37.780 4.030 5.123 644 HD1 PHE 102 HD1 PHE 102 39.954 6.810 5.959 645 HD2 PHE 102 HD2 PHE 102 38.955 3.947 2.972 646 HE1 PHE 102 HE1 PHE 102 42.091 7.256 4.821 647 HE2 PHE 102 HE2 PHE 102 41.089 4.387 1.831 648 HZ PHE 102 HZ PHE 102 42.660 6.043 2.755 649 H GLN 103 H GLN 103 37.758 7.272 6.620 650 HA GLN 103 HA GLN 103 37.288 9.873 5.530 651 HB2 GLN 103 HB1 GLN 103 37.682 8.867 8.056 652 HB3 GLN 103 HB2 GLN 103 39.211 9.702 7.736 653 HG2 GLN 103 HG1 GLN 103 37.263 11.490 6.878 654 HG3 GLN 103 HG2 GLN 103 36.612 10.789 8.367 655 HE21 GLN 103 HE21 GLN 103 38.516 10.503 10.065 656 HE22 GLN 103 HE22 GLN 103 39.404 11.956 10.354 657 H SER 104 H SER 104 38.447 10.621 3.882 658 HA SER 104 HA SER 104 41.299 9.944 3.717 659 HB2 SER 104 HB1 SER 104 39.495 9.659 1.783 660 HB3 SER 104 HB2 SER 104 39.884 11.365 1.504 661 HG SER 104 HG SER 104 41.621 9.137 1.409 662 H LEU 105 H LEU 105 42.342 11.929 2.256 663 HA LEU 105 HA LEU 105 42.604 14.043 4.159 664 HB2 LEU 105 HB1 LEU 105 44.407 13.110 2.625 665 HB3 LEU 105 HB2 LEU 105 43.637 14.049 1.335 666 HG LEU 105 HG LEU 105 44.241 15.669 3.675 667 HD11 LEU 105 HD11 LEU 105 46.483 14.225 2.278 668 HD12 LEU 105 HD12 LEU 105 46.105 14.215 4.000 669 HD13 LEU 105 HD13 LEU 105 46.697 15.690 3.237 670 HD21 LEU 105 HD21 LEU 105 44.805 15.775 0.725 671 HD22 LEU 105 HD22 LEU 105 45.406 16.993 1.849 672 HD23 LEU 105 HD23 LEU 105 43.670 16.747 1.662 673 H GLU 106 H GLU 106 41.210 15.654 4.379 674 HA GLU 106 HA GLU 106 39.841 16.666 1.973 675 HB2 GLU 106 HB1 GLU 106 38.777 15.729 4.443 676 HB3 GLU 106 HB2 GLU 106 38.475 17.471 4.344 677 HG2 GLU 106 HG1 GLU 106 37.867 16.283 1.815 678 HG3 GLU 106 HG2 GLU 106 37.055 15.379 3.101 679 HE2 GLU 106 HE GLU 106 35.358 18.421 4.055 680 H HIS 107 H HIS 107 39.561 18.908 1.762 681 HA HIS 107 HA HIS 107 41.436 20.497 3.380 682 HB2 HIS 107 HB1 HIS 107 41.718 20.235 0.821 683 HB3 HIS 107 HB2 HIS 107 40.345 21.341 0.704 684 HD1 HIS 107 HD1 HIS 107 43.620 21.369 2.662 685 HD2 HIS 107 HD2 HIS 107 41.197 23.875 0.402 686 HE1 HIS 107 HE1 HIS 107 44.797 23.592 2.628 687 HE2 HIS 107 HE2 HIS 107 43.316 25.124 1.246 688 H HIS 108 H HIS 108 40.832 22.598 4.056 689 HA HIS 108 HA HIS 108 38.039 23.373 3.775 690 HB2 HIS 108 HB1 HIS 108 39.234 22.282 6.233 691 HB3 HIS 108 HB2 HIS 108 38.387 23.816 6.458 692 HD1 HIS 108 HD1 HIS 108 37.598 20.623 7.141 693 HD2 HIS 108 HD2 HIS 108 35.786 23.345 4.578 694 HE1 HIS 108 HE1 HIS 108 35.234 19.811 6.859 695 HE2 HIS 108 HE2 HIS 108 34.126 21.473 5.295 696 H HIS 109 H HIS 109 37.651 25.545 4.842 697 HA HIS 109 HA HIS 109 40.017 27.196 5.164 698 HB2 HIS 109 HB1 HIS 109 39.349 27.060 2.668 699 HB3 HIS 109 HB2 HIS 109 37.975 28.068 3.134 700 HD1 HIS 109 HD1 HIS 109 41.240 28.415 1.828 701 HD2 HIS 109 HD2 HIS 109 39.017 30.504 4.648 702 HE1 HIS 109 HE1 HIS 109 42.329 30.676 2.003 703 HE2 HIS 109 HE2 HIS 109 40.970 31.953 3.726 704 H HIS 110 H HIS 110 39.495 27.907 7.154 705 HA HIS 110 HA HIS 110 37.038 29.489 7.402 706 HB2 HIS 110 HB1 HIS 110 37.612 27.013 8.766 707 HB3 HIS 110 HB2 HIS 110 37.485 28.332 9.935 708 HD1 HIS 110 HD1 HIS 110 35.443 26.179 7.760 709 HD2 HIS 110 HD2 HIS 110 34.945 29.680 9.941 710 HE1 HIS 110 HE1 HIS 110 32.957 26.520 7.926 711 HE2 HIS 110 HE2 HIS 110 32.651 28.658 9.258 712 H HIS 111 H HIS 111 37.167 31.246 8.804 713 HA HIS 111 HA HIS 111 39.840 31.806 9.908 714 HB2 HIS 111 HB1 HIS 111 39.465 34.202 9.351 715 HB3 HIS 111 HB2 HIS 111 39.581 33.161 7.928 716 HD1 HIS 111 HD1 HIS 111 37.997 33.938 6.209 717 HD2 HIS 111 HD2 HIS 111 36.394 34.258 10.029 718 HE1 HIS 111 HE1 HIS 111 35.660 34.807 5.887 719 HE2 HIS 111 HE2 HIS 111 34.679 35.004 8.220 720 H HIS 112 H HIS 112 39.711 33.705 11.515 721 HA HIS 112 HA HIS 112 37.742 32.987 13.501 722 HB2 HIS 112 HB1 HIS 112 40.355 34.155 13.486 723 HB3 HIS 112 HB2 HIS 112 39.256 35.248 14.332 724 HD1 HIS 112 HD1 HIS 112 41.568 33.054 15.378 725 HD2 HIS 112 HD2 HIS 112 37.458 33.106 15.987 726 HE1 HIS 112 HE1 HIS 112 41.178 31.685 17.451 727 HE2 HIS 112 HE2 HIS 112 38.667 31.715 17.824 Start of MODEL 9 1 H1 MET 18 H MET 18 -72.357 1.070 -40.542 2 HA MET 18 HA MET 18 -70.282 1.940 -41.439 3 HB2 MET 18 HB1 MET 18 -71.494 2.940 -39.042 4 HB3 MET 18 HB2 MET 18 -69.745 3.198 -38.956 5 HG2 MET 18 HG1 MET 18 -69.756 4.784 -40.540 6 HG3 MET 18 HG2 MET 18 -70.927 3.911 -41.532 7 HE1 MET 18 HE1 MET 18 -71.503 6.317 -42.126 8 HE2 MET 18 HE2 MET 18 -73.107 5.584 -42.098 9 HE3 MET 18 HE3 MET 18 -72.842 7.156 -41.341 10 H LEU 19 H LEU 19 -69.927 0.415 -38.258 11 HA LEU 19 HA LEU 19 -68.154 -0.564 -37.218 12 HB2 LEU 19 HB1 LEU 19 -67.832 -1.212 -40.098 13 HB3 LEU 19 HB2 LEU 19 -66.452 -1.531 -39.036 14 HG LEU 19 HG LEU 19 -67.848 -3.521 -39.383 15 HD11 LEU 19 HD11 LEU 19 -67.789 -4.253 -37.178 16 HD12 LEU 19 HD12 LEU 19 -68.204 -2.664 -36.535 17 HD13 LEU 19 HD13 LEU 19 -66.599 -2.952 -37.207 18 HD21 LEU 19 HD21 LEU 19 -70.013 -2.309 -37.729 19 HD22 LEU 19 HD22 LEU 19 -70.082 -3.654 -38.869 20 HD23 LEU 19 HD23 LEU 19 -69.979 -1.996 -39.465 21 H VAL 20 H VAL 20 -67.523 1.601 -36.496 22 HA VAL 20 HA VAL 20 -65.141 2.671 -37.837 23 HB VAL 20 HB VAL 20 -65.446 4.673 -36.475 24 HG11 VAL 20 HG11 VAL 20 -67.894 3.720 -37.948 25 HG12 VAL 20 HG12 VAL 20 -67.677 5.379 -37.388 26 HG13 VAL 20 HG13 VAL 20 -66.566 4.695 -38.575 27 HG21 VAL 20 HG21 VAL 20 -67.378 2.937 -35.078 28 HG22 VAL 20 HG22 VAL 20 -66.374 4.247 -34.458 29 HG23 VAL 20 HG23 VAL 20 -67.874 4.614 -35.310 30 H LEU 21 H LEU 21 -63.169 2.610 -36.923 31 HA LEU 21 HA LEU 21 -62.768 0.954 -34.617 32 HB2 LEU 21 HB1 LEU 21 -61.128 2.188 -36.711 33 HB3 LEU 21 HB2 LEU 21 -60.343 2.123 -35.123 34 HG LEU 21 HG LEU 21 -59.761 0.206 -36.552 35 HD11 LEU 21 HD11 LEU 21 -59.432 -0.708 -34.554 36 HD12 LEU 21 HD12 LEU 21 -61.023 -1.451 -34.715 37 HD13 LEU 21 HD13 LEU 21 -60.851 0.091 -33.878 38 HD21 LEU 21 HD21 LEU 21 -62.001 0.138 -37.700 39 HD22 LEU 21 HD22 LEU 21 -62.630 -0.658 -36.257 40 HD23 LEU 21 HD23 LEU 21 -61.354 -1.426 -37.202 41 H ASP 22 H ASP 22 -62.155 1.524 -32.580 42 HA ASP 22 HA ASP 22 -62.064 4.410 -31.986 43 HB2 ASP 22 HB1 ASP 22 -64.141 3.207 -31.201 44 HB3 ASP 22 HB2 ASP 22 -63.098 2.266 -30.125 45 HD2 ASP 22 HD ASP 22 -62.964 6.103 -29.206 46 H PHE 23 H PHE 23 -60.776 5.030 -30.138 47 HA PHE 23 HA PHE 23 -58.792 3.067 -29.262 48 HB2 PHE 23 HB1 PHE 23 -58.298 5.318 -31.054 49 HB3 PHE 23 HB2 PHE 23 -57.287 5.378 -29.607 50 HD1 PHE 23 HD1 PHE 23 -55.585 3.739 -29.183 51 HD2 PHE 23 HD2 PHE 23 -58.077 3.457 -32.623 52 HE1 PHE 23 HE1 PHE 23 -54.055 2.073 -30.151 53 HE2 PHE 23 HE2 PHE 23 -56.551 1.789 -33.595 54 HZ PHE 23 HZ PHE 23 -54.537 1.094 -32.359 55 H ASN 24 H ASN 24 -58.091 3.344 -27.196 56 HA ASN 24 HA ASN 24 -58.481 5.836 -25.795 57 HB2 ASN 24 HB1 ASN 24 -60.573 3.961 -25.760 58 HB3 ASN 24 HB2 ASN 24 -59.754 3.780 -24.205 59 HD21 ASN 24 HD21 ASN 24 -62.391 4.934 -24.992 60 HD22 ASN 24 HD22 ASN 24 -62.415 6.505 -24.274 61 H ASN 25 H ASN 25 -58.107 5.231 -23.263 62 HA ASN 25 HA ASN 25 -56.551 4.641 -21.713 63 HB2 ASN 25 HB1 ASN 25 -57.007 2.241 -23.322 64 HB3 ASN 25 HB2 ASN 25 -55.403 2.271 -22.578 65 HD21 ASN 25 HD21 ASN 25 -58.771 2.981 -21.716 66 HD22 ASN 25 HD22 ASN 25 -58.701 2.255 -20.150 67 H ILE 26 H ILE 26 -55.201 6.399 -22.290 68 HA ILE 26 HA ILE 26 -52.787 5.601 -23.783 69 HB ILE 26 HB ILE 26 -53.870 8.411 -23.573 70 HG12 ILE 26 HG11 ILE 26 -54.104 7.819 -26.189 71 HG13 ILE 26 HG12 ILE 26 -54.409 6.216 -25.496 72 HG21 ILE 26 HG21 ILE 26 -51.696 7.233 -25.298 73 HG22 ILE 26 HG22 ILE 26 -52.240 8.910 -25.316 74 HG23 ILE 26 HG23 ILE 26 -51.451 8.255 -23.882 75 HD11 ILE 26 HD11 ILE 26 -56.527 6.889 -25.360 76 HD12 ILE 26 HD12 ILE 26 -55.994 7.798 -23.945 77 HD13 ILE 26 HD13 ILE 26 -56.099 8.592 -25.516 78 H ARG 27 H ARG 27 -51.374 5.106 -22.202 79 HA ARG 27 HA ARG 27 -50.913 7.141 -20.119 80 HB2 ARG 27 HB1 ARG 27 -51.375 4.282 -19.915 81 HB3 ARG 27 HB2 ARG 27 -49.832 4.745 -19.180 82 HG2 ARG 27 HG1 ARG 27 -50.960 5.294 -17.353 83 HG3 ARG 27 HG2 ARG 27 -51.626 6.656 -18.270 84 HD2 ARG 27 HD1 ARG 27 -53.430 5.080 -19.095 85 HD3 ARG 27 HD2 ARG 27 -52.830 3.923 -17.899 86 HE ARG 27 HE ARG 27 -53.838 5.148 -16.248 87 HH11 ARG 27 HH11 ARG 27 -53.671 7.058 -19.155 88 HH12 ARG 27 HH12 ARG 27 -54.662 8.333 -18.530 89 HH21 ARG 27 HH21 ARG 27 -55.144 6.822 -15.414 90 HH22 ARG 27 HH22 ARG 27 -55.499 8.199 -16.402 91 H SER 28 H SER 28 -48.687 7.250 -19.314 92 HA SER 28 HA SER 28 -46.521 6.023 -20.633 93 HB2 SER 28 HB1 SER 28 -45.807 7.552 -22.211 94 HB3 SER 28 HB2 SER 28 -47.565 7.723 -22.369 95 HG SER 28 HG SER 28 -47.242 9.444 -20.673 96 H SER 29 H SER 29 -44.488 6.697 -19.818 97 HA SER 29 HA SER 29 -44.208 8.899 -18.038 98 HB2 SER 29 HB1 SER 29 -45.392 6.642 -16.889 99 HB3 SER 29 HB2 SER 29 -43.692 6.557 -16.396 100 HG SER 29 HG SER 29 -45.642 8.417 -15.731 101 H ALA 30 H ALA 30 -42.055 9.090 -17.182 102 HA ALA 30 HA ALA 30 -40.101 7.253 -18.391 103 HB1 ALA 30 HB1 ALA 30 -38.986 8.872 -19.486 104 HB2 ALA 30 HB2 ALA 30 -40.533 9.718 -19.408 105 HB3 ALA 30 HB3 ALA 30 -39.274 10.070 -18.224 106 H ASP 31 H ASP 31 -37.783 8.245 -17.480 107 HA ASP 31 HA ASP 31 -37.935 8.901 -14.676 108 HB2 ASP 31 HB1 ASP 31 -38.193 6.284 -15.100 109 HB3 ASP 31 HB2 ASP 31 -36.430 6.384 -15.211 110 HD2 ASP 31 HD ASP 31 -36.447 6.086 -11.792 111 H LEU 32 H LEU 32 -36.300 10.222 -14.247 112 HA LEU 32 HA LEU 32 -34.004 10.257 -16.063 113 HB2 LEU 32 HB1 LEU 32 -35.545 12.258 -14.698 114 HB3 LEU 32 HB2 LEU 32 -33.845 12.380 -14.216 115 HG LEU 32 HG LEU 32 -34.376 13.872 -16.080 116 HD11 LEU 32 HD11 LEU 32 -32.193 13.512 -16.388 117 HD12 LEU 32 HD12 LEU 32 -32.695 12.492 -17.736 118 HD13 LEU 32 HD13 LEU 32 -32.351 11.769 -16.164 119 HD21 LEU 32 HD21 LEU 32 -35.028 11.326 -17.561 120 HD22 LEU 32 HD22 LEU 32 -34.883 12.924 -18.293 121 HD23 LEU 32 HD23 LEU 32 -36.161 12.605 -17.120 122 H HIS 33 H HIS 33 -32.268 9.163 -15.450 123 HA HIS 33 HA HIS 33 -31.810 8.582 -12.638 124 HB2 HIS 33 HB1 HIS 33 -30.955 7.457 -15.217 125 HB3 HIS 33 HB2 HIS 33 -29.685 7.489 -13.990 126 HD1 HIS 33 HD1 HIS 33 -33.257 6.917 -13.015 127 HD2 HIS 33 HD2 HIS 33 -29.765 4.735 -13.568 128 HE1 HIS 33 HE1 HIS 33 -33.728 4.641 -12.057 129 HE2 HIS 33 HE2 HIS 33 -31.595 3.307 -12.393 130 H GLY 34 H GLY 34 -29.541 8.771 -11.793 131 HA2 GLY 34 HA2 GLY 34 -27.653 10.527 -12.903 132 HA3 GLY 34 HA3 GLY 34 -28.711 11.457 -11.852 133 HA1 GLY 34 HA1 GLY 34 -27.738 9.711 -12.577 134 H ALA 35 H ALA 35 -25.874 10.955 -11.541 135 HA ALA 35 HA ALA 35 -25.954 9.577 -8.938 136 HB1 ALA 35 HB1 ALA 35 -23.324 9.513 -10.113 137 HB2 ALA 35 HB2 ALA 35 -24.327 8.184 -9.528 138 HB3 ALA 35 HB3 ALA 35 -24.509 8.764 -11.183 139 H ARG 36 H ARG 36 -23.575 10.141 -7.897 140 HA ARG 36 HA ARG 36 -23.182 13.040 -8.121 141 HB2 ARG 36 HB1 ARG 36 -24.463 11.712 -5.953 142 HB3 ARG 36 HB2 ARG 36 -22.892 12.298 -5.383 143 HG2 ARG 36 HG1 ARG 36 -23.660 14.367 -5.221 144 HG3 ARG 36 HG2 ARG 36 -24.157 14.346 -6.922 145 HD2 ARG 36 HD1 ARG 36 -26.323 13.802 -6.443 146 HD3 ARG 36 HD2 ARG 36 -25.872 12.879 -5.002 147 HE ARG 36 HE ARG 36 -25.457 15.710 -4.726 148 HH11 ARG 36 HH11 ARG 36 -27.757 13.112 -4.443 149 HH12 ARG 36 HH12 ARG 36 -28.757 13.948 -3.302 150 HH21 ARG 36 HH21 ARG 36 -26.766 16.820 -3.223 151 HH22 ARG 36 HH22 ARG 36 -28.193 16.057 -2.609 152 H LYS 37 H LYS 37 -21.161 13.777 -7.099 153 HA LYS 37 HA LYS 37 -19.146 11.699 -6.698 154 HB2 LYS 37 HB1 LYS 37 -19.331 13.459 -9.025 155 HB3 LYS 37 HB2 LYS 37 -17.768 13.569 -8.201 156 HG2 LYS 37 HG1 LYS 37 -18.724 10.823 -8.612 157 HG3 LYS 37 HG2 LYS 37 -18.401 11.732 -10.098 158 HD2 LYS 37 HD1 LYS 37 -16.154 12.327 -9.187 159 HD3 LYS 37 HD2 LYS 37 -16.487 11.256 -7.815 160 HE2 LYS 37 HE1 LYS 37 -16.686 10.262 -10.651 161 HE3 LYS 37 HE2 LYS 37 -15.137 10.319 -9.797 162 HZ1 LYS 37 HZ1 LYS 37 -16.332 9.021 -7.983 163 HZ2 LYS 37 HZ2 LYS 37 -15.946 8.189 -9.404 164 HZ3 LYS 37 HZ3 LYS 37 -17.531 8.718 -9.138 165 H GLY 38 H GLY 38 -18.469 12.158 -4.700 166 HA2 GLY 38 HA2 GLY 38 -18.184 14.963 -3.893 167 HA3 GLY 38 HA3 GLY 38 -18.201 13.577 -2.814 168 HA1 GLY 38 HA1 GLY 38 -17.727 14.658 -4.581 169 H SER 39 H SER 39 -16.305 12.075 -3.029 170 HA SER 39 HA SER 39 -13.862 13.457 -3.876 171 HB2 SER 39 HB1 SER 39 -12.885 13.496 -1.825 172 HB3 SER 39 HB2 SER 39 -14.563 13.462 -1.254 173 HG SER 39 HG SER 39 -13.621 11.806 -0.204 174 H GLN 40 H GLN 40 -11.941 11.934 -3.781 175 HA GLN 40 HA GLN 40 -12.755 9.402 -4.974 176 HB2 GLN 40 HB1 GLN 40 -10.261 11.054 -4.986 177 HB3 GLN 40 HB2 GLN 40 -10.142 9.320 -5.328 178 HG2 GLN 40 HG1 GLN 40 -10.348 10.214 -7.442 179 HG3 GLN 40 HG2 GLN 40 -12.013 9.767 -7.050 180 HE21 GLN 40 HE21 GLN 40 -13.453 11.231 -7.573 181 HE22 GLN 40 HE22 GLN 40 -13.209 12.941 -7.614 182 H CYS 41 H CYS 41 -10.046 10.297 -2.835 183 HA CYS 41 HA CYS 41 -10.776 8.125 -1.023 184 HB2 CYS 41 HB1 CYS 41 -8.349 7.387 -0.987 185 HB3 CYS 41 HB2 CYS 41 -9.266 6.961 -2.433 186 H LEU 42 H LEU 42 -9.918 8.332 1.074 187 HA LEU 42 HA LEU 42 -8.920 11.032 1.675 188 HB2 LEU 42 HB1 LEU 42 -10.977 9.406 2.812 189 HB3 LEU 42 HB2 LEU 42 -9.723 9.684 4.033 190 HG LEU 42 HG LEU 42 -9.965 12.156 3.534 191 HD11 LEU 42 HD11 LEU 42 -11.085 12.491 1.597 192 HD12 LEU 42 HD12 LEU 42 -12.474 12.483 2.683 193 HD13 LEU 42 HD13 LEU 42 -12.057 11.030 1.774 194 HD21 LEU 42 HD21 LEU 42 -11.595 12.393 5.153 195 HD22 LEU 42 HD22 LEU 42 -11.041 10.743 5.435 196 HD23 LEU 42 HD23 LEU 42 -12.541 11.031 4.551 197 H SER 43 H SER 43 -8.240 7.644 1.959 198 HA SER 43 HA SER 43 -5.605 8.294 3.052 199 HB2 SER 43 HB1 SER 43 -7.668 7.076 4.578 200 HB3 SER 43 HB2 SER 43 -6.470 5.820 4.217 201 HG SER 43 HG SER 43 -5.601 6.736 5.950 202 H ASP 44 H ASP 44 -4.190 6.239 3.019 203 HA ASP 44 HA ASP 44 -4.071 5.320 0.348 204 HB2 ASP 44 HB1 ASP 44 -2.181 3.984 1.056 205 HB3 ASP 44 HB2 ASP 44 -2.092 5.571 1.832 206 HD2 ASP 44 HD ASP 44 -2.783 4.186 4.988 207 H THR 45 H THR 45 -5.433 3.992 3.278 208 HA THR 45 HA THR 45 -5.702 1.316 2.534 209 HB THR 45 HB THR 45 -7.627 1.249 4.126 210 HG1 THR 45 HG1 THR 45 -8.549 3.060 4.720 211 HG21 THR 45 HG21 THR 45 -4.962 1.539 4.657 212 HG22 THR 45 HG22 THR 45 -6.193 1.148 5.857 213 HG23 THR 45 HG23 THR 45 -5.669 2.818 5.642 214 H ASP 46 H ASP 46 -7.578 4.133 1.655 215 HA ASP 46 HA ASP 46 -9.823 2.756 0.603 216 HB2 ASP 46 HB1 ASP 46 -8.725 5.525 0.055 217 HB3 ASP 46 HB2 ASP 46 -10.263 4.929 -0.584 218 HD2 ASP 46 HD ASP 46 -10.729 4.775 3.245 219 H CYS 47 H CYS 47 -6.668 3.487 -0.629 220 HA CYS 47 HA CYS 47 -7.356 3.021 -3.390 221 HB2 CYS 47 HB1 CYS 47 -4.839 3.597 -1.873 222 HB3 CYS 47 HB2 CYS 47 -4.719 2.922 -3.499 223 H ASN 48 H ASN 48 -6.239 1.329 -4.669 224 HA ASN 48 HA ASN 48 -6.791 -1.234 -3.638 225 HB2 ASN 48 HB1 ASN 48 -5.046 -0.556 -6.020 226 HB3 ASN 48 HB2 ASN 48 -5.877 -2.086 -5.715 227 HD21 ASN 48 HD21 ASN 48 -8.290 -1.889 -5.446 228 HD22 ASN 48 HD22 ASN 48 -9.108 -0.834 -6.542 229 H THR 49 H THR 49 -4.876 -2.970 -4.155 230 HA THR 49 HA THR 49 -3.096 -2.716 -1.976 231 HB THR 49 HB THR 49 -3.767 -4.917 -2.665 232 HG1 THR 49 HG1 THR 49 -1.770 -5.119 -1.836 233 HG21 THR 49 HG21 THR 49 -2.468 -4.236 -5.304 234 HG22 THR 49 HG22 THR 49 -4.172 -4.585 -5.010 235 HG23 THR 49 HG23 THR 49 -2.968 -5.862 -4.837 236 H ARG 50 H ARG 50 -0.856 -2.439 -1.922 237 HA ARG 50 HA ARG 50 1.087 -1.376 -2.454 238 HB2 ARG 50 HB1 ARG 50 0.455 -2.562 -5.168 239 HB3 ARG 50 HB2 ARG 50 2.027 -1.911 -4.681 240 HG2 ARG 50 HG1 ARG 50 2.106 -3.618 -2.859 241 HG3 ARG 50 HG2 ARG 50 0.632 -4.323 -3.546 242 HD2 ARG 50 HD1 ARG 50 1.847 -5.478 -5.012 243 HD3 ARG 50 HD2 ARG 50 2.485 -3.963 -5.663 244 HE ARG 50 HE ARG 50 4.454 -4.384 -4.592 245 HH11 ARG 50 HH11 ARG 50 1.949 -6.302 -3.121 246 HH12 ARG 50 HH12 ARG 50 3.039 -7.172 -2.092 247 HH21 ARG 50 HH21 ARG 50 5.898 -5.521 -3.241 248 HH22 ARG 50 HH22 ARG 50 5.284 -6.726 -2.161 249 H LYS 51 H LYS 51 -1.346 0.170 -2.656 250 HA LYS 51 HA LYS 51 -0.352 2.277 -4.433 251 HB2 LYS 51 HB1 LYS 51 -2.973 0.896 -4.584 252 HB3 LYS 51 HB2 LYS 51 -3.002 2.660 -4.746 253 HG2 LYS 51 HG1 LYS 51 -2.184 2.602 -6.816 254 HG3 LYS 51 HG2 LYS 51 -0.931 1.427 -6.369 255 HD2 LYS 51 HD1 LYS 51 -3.100 -0.173 -6.275 256 HD3 LYS 51 HD2 LYS 51 -3.624 0.989 -7.508 257 HE2 LYS 51 HE1 LYS 51 -2.303 0.060 -9.047 258 HE3 LYS 51 HE2 LYS 51 -0.899 0.210 -7.981 259 HZ1 LYS 51 HZ1 LYS 51 -1.280 -2.088 -8.547 260 HZ2 LYS 51 HZ2 LYS 51 -2.867 -2.014 -7.967 261 HZ3 LYS 51 HZ3 LYS 51 -1.567 -1.862 -6.895 262 H PHE 52 H PHE 52 -0.863 4.387 -3.785 263 HA PHE 52 HA PHE 52 -2.055 4.617 -1.101 264 HB2 PHE 52 HB1 PHE 52 -0.476 6.459 -0.638 265 HB3 PHE 52 HB2 PHE 52 0.349 4.926 -0.927 266 HD1 PHE 52 HD1 PHE 52 1.416 4.496 -3.155 267 HD2 PHE 52 HD2 PHE 52 -0.023 8.332 -1.999 268 HE1 PHE 52 HE1 PHE 52 2.793 5.536 -4.907 269 HE2 PHE 52 HE2 PHE 52 1.352 9.378 -3.750 270 HZ PHE 52 HZ PHE 52 2.761 7.981 -5.209 271 H CYS 53 H CYS 53 -2.836 6.851 -0.612 272 HA CYS 53 HA CYS 53 -4.124 7.978 -3.004 273 HB2 CYS 53 HB1 CYS 53 -5.697 7.122 -1.363 274 HB3 CYS 53 HB2 CYS 53 -4.942 8.089 -0.094 275 H LEU 54 H LEU 54 -2.779 9.546 -3.718 276 HA LEU 54 HA LEU 54 -1.393 11.313 -1.925 277 HB2 LEU 54 HB1 LEU 54 -0.348 10.688 -4.006 278 HB3 LEU 54 HB2 LEU 54 -1.726 11.323 -4.919 279 HG LEU 54 HG LEU 54 -0.830 13.509 -3.467 280 HD11 LEU 54 HD11 LEU 54 1.636 13.410 -4.415 281 HD12 LEU 54 HD12 LEU 54 1.413 11.683 -4.136 282 HD13 LEU 54 HD13 LEU 54 1.236 12.821 -2.801 283 HD21 LEU 54 HD21 LEU 54 0.001 14.271 -5.687 284 HD22 LEU 54 HD22 LEU 54 -1.641 13.630 -5.717 285 HD23 LEU 54 HD23 LEU 54 -0.301 12.648 -6.306 286 H GLN 55 H GLN 55 -1.948 13.317 -1.288 287 HA GLN 55 HA GLN 55 -4.364 14.518 -2.468 288 HB2 GLN 55 HB1 GLN 55 -4.841 15.427 -0.152 289 HB3 GLN 55 HB2 GLN 55 -5.086 13.686 -0.370 290 HG2 GLN 55 HG1 GLN 55 -3.655 13.205 1.246 291 HG3 GLN 55 HG2 GLN 55 -2.398 14.188 0.481 292 HE21 GLN 55 HE21 GLN 55 -5.129 14.271 2.679 293 HE22 GLN 55 HE22 GLN 55 -4.642 15.693 3.532 294 HA PRO 56 HA PRO 56 -0.975 17.575 -2.853 295 HB2 PRO 56 HB1 PRO 56 -1.933 18.660 -5.177 296 HB3 PRO 56 HB2 PRO 56 -0.934 17.210 -5.121 297 HG2 PRO 56 HG1 PRO 56 -3.916 17.457 -5.310 298 HG3 PRO 56 HG2 PRO 56 -2.800 16.388 -6.238 299 HD2 PRO 56 HD1 PRO 56 -4.282 15.493 -4.147 300 HD3 PRO 56 HD2 PRO 56 -2.667 14.865 -4.514 301 H ARG 57 H ARG 57 -0.991 19.828 -2.573 302 HA ARG 57 HA ARG 57 -3.377 20.848 -1.305 303 HB2 ARG 57 HB1 ARG 57 -0.561 21.838 -1.647 304 HB3 ARG 57 HB2 ARG 57 -1.834 22.931 -1.080 305 HG2 ARG 57 HG1 ARG 57 -2.206 21.673 0.880 306 HG3 ARG 57 HG2 ARG 57 -1.271 20.303 0.257 307 HD2 ARG 57 HD1 ARG 57 0.661 21.150 1.000 308 HD3 ARG 57 HD2 ARG 57 0.300 22.736 0.303 309 HE ARG 57 HE ARG 57 -0.376 23.447 2.366 310 HH11 ARG 57 HH11 ARG 57 -0.320 19.967 2.336 311 HH12 ARG 57 HH12 ARG 57 -0.638 19.817 4.032 312 HH21 ARG 57 HH21 ARG 57 -0.795 23.263 4.601 313 HH22 ARG 57 HH22 ARG 57 -0.909 21.693 5.319 314 H ASP 58 H ASP 58 -1.700 21.221 -4.330 315 HA ASP 58 HA ASP 58 -3.254 23.556 -5.089 316 HB2 ASP 58 HB1 ASP 58 -0.847 22.194 -6.059 317 HB3 ASP 58 HB2 ASP 58 -1.927 22.716 -7.359 318 HD2 ASP 58 HD ASP 58 -1.280 26.065 -6.770 319 H GLU 59 H GLU 59 -3.349 20.129 -5.441 320 HA GLU 59 HA GLU 59 -5.596 20.398 -7.329 321 HB2 GLU 59 HB1 GLU 59 -3.210 18.758 -7.454 322 HB3 GLU 59 HB2 GLU 59 -4.674 17.763 -7.498 323 HG2 GLU 59 HG1 GLU 59 -5.386 19.632 -9.277 324 HG3 GLU 59 HG2 GLU 59 -3.629 19.689 -9.477 325 HE2 GLU 59 HE GLU 59 -5.579 16.516 -10.777 326 H LYS 60 H LYS 60 -6.828 18.095 -7.247 327 HA LYS 60 HA LYS 60 -7.801 17.927 -4.507 328 HB2 LYS 60 HB1 LYS 60 -8.866 17.249 -7.200 329 HB3 LYS 60 HB2 LYS 60 -9.448 16.283 -5.835 330 HG2 LYS 60 HG1 LYS 60 -9.573 18.976 -5.013 331 HG3 LYS 60 HG2 LYS 60 -10.236 18.902 -6.654 332 HD2 LYS 60 HD1 LYS 60 -11.580 16.868 -5.805 333 HD3 LYS 60 HD2 LYS 60 -11.159 17.460 -4.188 334 HE2 LYS 60 HE1 LYS 60 -12.072 19.734 -4.986 335 HE3 LYS 60 HE2 LYS 60 -12.798 18.811 -6.311 336 HZ1 LYS 60 HZ1 LYS 60 -13.474 18.822 -3.473 337 HZ2 LYS 60 HZ2 LYS 60 -13.609 17.343 -4.283 338 HZ3 LYS 60 HZ3 LYS 60 -14.482 18.686 -4.827 339 HA PRO 61 HA PRO 61 -6.058 14.026 -3.510 340 HB2 PRO 61 HB1 PRO 61 -8.097 12.791 -2.162 341 HB3 PRO 61 HB2 PRO 61 -7.175 14.143 -1.506 342 HG2 PRO 61 HG1 PRO 61 -9.839 14.149 -2.885 343 HG3 PRO 61 HG2 PRO 61 -9.330 15.006 -1.382 344 HD2 PRO 61 HD1 PRO 61 -9.510 16.248 -3.789 345 HD3 PRO 61 HD2 PRO 61 -8.298 16.687 -2.573 346 H PHE 62 H PHE 62 -5.668 12.227 -4.637 347 HA PHE 62 HA PHE 62 -7.848 10.714 -5.818 348 HB2 PHE 62 HB1 PHE 62 -6.680 10.648 -8.049 349 HB3 PHE 62 HB2 PHE 62 -7.408 12.202 -7.636 350 HD1 PHE 62 HD1 PHE 62 -6.173 14.135 -7.844 351 HD2 PHE 62 HD2 PHE 62 -4.147 10.415 -7.414 352 HE1 PHE 62 HE1 PHE 62 -4.020 15.269 -8.208 353 HE2 PHE 62 HE2 PHE 62 -1.992 11.545 -7.776 354 HZ PHE 62 HZ PHE 62 -1.926 13.974 -8.173 355 H CYS 63 H CYS 63 -7.009 8.671 -6.853 356 HA CYS 63 HA CYS 63 -5.077 7.480 -5.059 357 HB2 CYS 63 HB1 CYS 63 -7.289 6.433 -5.903 358 HB3 CYS 63 HB2 CYS 63 -6.388 6.082 -7.379 359 H ALA 64 H ALA 64 -2.993 7.167 -5.480 360 HA ALA 64 HA ALA 64 -2.058 7.559 -8.244 361 HB1 ALA 64 HB1 ALA 64 -1.233 8.754 -5.838 362 HB2 ALA 64 HB2 ALA 64 0.072 7.676 -6.335 363 HB3 ALA 64 HB3 ALA 64 -0.507 8.924 -7.437 364 H THR 65 H THR 65 -0.693 6.092 -9.189 365 HA THR 65 HA THR 65 -0.787 3.415 -8.182 366 HB THR 65 HB THR 65 1.105 3.517 -10.268 367 HG1 THR 65 HG1 THR 65 0.356 4.966 -11.669 368 HG21 THR 65 HG21 THR 65 -0.629 2.380 -11.542 369 HG22 THR 65 HG22 THR 65 -1.854 2.921 -10.393 370 HG23 THR 65 HG23 THR 65 -0.607 1.785 -9.882 371 H CYS 66 H CYS 66 1.189 2.043 -8.038 372 HA CYS 66 HA CYS 66 2.915 2.945 -6.052 373 HB2 CYS 66 HB1 CYS 66 2.431 0.555 -6.625 374 HB3 CYS 66 HB2 CYS 66 3.486 0.731 -8.030 375 H ARG 67 H ARG 67 5.052 3.632 -6.036 376 HA ARG 67 HA ARG 67 5.919 4.930 -8.509 377 HB2 ARG 67 HB1 ARG 67 6.054 5.570 -5.706 378 HB3 ARG 67 HB2 ARG 67 7.682 5.562 -6.398 379 HG2 ARG 67 HG1 ARG 67 6.973 7.768 -6.649 380 HG3 ARG 67 HG2 ARG 67 6.718 7.042 -8.244 381 HD2 ARG 67 HD1 ARG 67 4.331 6.624 -7.601 382 HD3 ARG 67 HD2 ARG 67 4.638 7.545 -6.122 383 HE ARG 67 HE ARG 67 5.424 9.209 -8.144 384 HH11 ARG 67 HH11 ARG 67 2.493 7.521 -7.322 385 HH12 ARG 67 HH12 ARG 67 1.454 8.706 -8.040 386 HH21 ARG 67 HH21 ARG 67 4.067 10.778 -9.094 387 HH22 ARG 67 HH22 ARG 67 2.350 10.558 -9.048 388 H GLY 68 H GLY 68 8.131 4.799 -9.210 389 HA2 GLY 68 HA2 GLY 68 9.280 2.149 -8.654 390 HA3 GLY 68 HA3 GLY 68 9.579 3.112 -10.093 391 HA1 GLY 68 HA1 GLY 68 9.241 2.766 -8.024 392 H LEU 69 H LEU 69 11.796 2.226 -9.202 393 HA LEU 69 HA LEU 69 12.980 3.634 -7.034 394 HB2 LEU 69 HB1 LEU 69 13.968 1.867 -9.234 395 HB3 LEU 69 HB2 LEU 69 15.134 2.821 -8.299 396 HG LEU 69 HG LEU 69 13.208 0.818 -7.124 397 HD11 LEU 69 HD11 LEU 69 14.657 -0.776 -7.639 398 HD12 LEU 69 HD12 LEU 69 15.947 0.105 -6.825 399 HD13 LEU 69 HD13 LEU 69 15.622 0.398 -8.533 400 HD21 LEU 69 HD21 LEU 69 13.677 2.354 -5.433 401 HD22 LEU 69 HD22 LEU 69 15.343 2.581 -5.969 402 HD23 LEU 69 HD23 LEU 69 14.867 1.075 -5.180 403 H ARG 70 H ARG 70 12.555 4.307 -10.407 404 HA ARG 70 HA ARG 70 14.476 6.503 -10.343 405 HB2 ARG 70 HB1 ARG 70 12.842 5.226 -12.533 406 HB3 ARG 70 HB2 ARG 70 13.712 6.748 -12.778 407 HG2 ARG 70 HG1 ARG 70 15.523 4.894 -11.606 408 HG3 ARG 70 HG2 ARG 70 14.703 4.102 -12.962 409 HD2 ARG 70 HD1 ARG 70 15.619 6.877 -13.445 410 HD3 ARG 70 HD2 ARG 70 16.884 5.656 -13.239 411 HE ARG 70 HE ARG 70 14.869 4.805 -15.072 412 HH11 ARG 70 HH11 ARG 70 17.717 6.782 -14.746 413 HH12 ARG 70 HH12 ARG 70 18.136 6.684 -16.424 414 HH21 ARG 70 HH21 ARG 70 15.410 4.670 -17.284 415 HH22 ARG 70 HH22 ARG 70 16.822 5.484 -17.867 416 H ARG 71 H ARG 71 11.632 6.254 -9.059 417 HA ARG 71 HA ARG 71 10.450 8.681 -10.202 418 HB2 ARG 71 HB1 ARG 71 9.415 6.321 -8.770 419 HB3 ARG 71 HB2 ARG 71 8.684 7.861 -8.295 420 HG2 ARG 71 HG1 ARG 71 8.924 7.184 -11.199 421 HG3 ARG 71 HG2 ARG 71 7.640 6.454 -10.219 422 HD2 ARG 71 HD1 ARG 71 6.897 8.708 -9.530 423 HD3 ARG 71 HD2 ARG 71 8.155 9.406 -10.560 424 HE ARG 71 HE ARG 71 5.627 8.364 -11.403 425 HH11 ARG 71 HH11 ARG 71 8.923 8.926 -12.374 426 HH12 ARG 71 HH12 ARG 71 8.551 8.994 -14.065 427 HH21 ARG 71 HH21 ARG 71 5.124 8.452 -13.627 428 HH22 ARG 71 HH22 ARG 71 6.389 8.726 -14.777 429 H ARG 72 H ARG 72 10.298 10.560 -9.094 430 HA ARG 72 HA ARG 72 11.933 10.881 -6.759 431 HB2 ARG 72 HB1 ARG 72 10.150 12.802 -8.272 432 HB3 ARG 72 HB2 ARG 72 11.168 13.267 -6.902 433 HG2 ARG 72 HG1 ARG 72 12.819 11.875 -8.739 434 HG3 ARG 72 HG2 ARG 72 11.868 13.062 -9.647 435 HD2 ARG 72 HD1 ARG 72 13.480 13.678 -7.160 436 HD3 ARG 72 HD2 ARG 72 14.019 13.965 -8.821 437 HE ARG 72 HE ARG 72 12.135 15.536 -7.316 438 HH11 ARG 72 HH11 ARG 72 13.257 14.659 -10.493 439 HH12 ARG 72 HH12 ARG 72 12.667 16.106 -11.243 440 HH21 ARG 72 HH21 ARG 72 11.354 17.444 -8.291 441 HH22 ARG 72 HH22 ARG 72 11.585 17.689 -9.989 442 H CYS 73 H CYS 73 11.297 11.455 -4.687 443 HA CYS 73 HA CYS 73 8.433 11.410 -4.077 444 HB2 CYS 73 HB1 CYS 73 8.904 9.915 -2.112 445 HB3 CYS 73 HB2 CYS 73 9.049 9.134 -3.687 446 H GLN 74 H GLN 74 7.976 12.147 -1.842 447 HA GLN 74 HA GLN 74 9.949 14.170 -1.020 448 HB2 GLN 74 HB1 GLN 74 6.940 14.106 -0.896 449 HB3 GLN 74 HB2 GLN 74 7.885 15.221 0.104 450 HG2 GLN 74 HG1 GLN 74 8.984 15.968 -2.094 451 HG3 GLN 74 HG2 GLN 74 7.630 15.141 -2.877 452 HE21 GLN 74 HE21 GLN 74 6.467 16.786 -3.653 453 HE22 GLN 74 HE22 GLN 74 5.806 18.068 -2.702 454 H ARG 75 H ARG 75 7.957 11.516 0.045 455 HA ARG 75 HA ARG 75 9.317 11.609 2.647 456 HB2 ARG 75 HB1 ARG 75 6.370 11.136 2.154 457 HB3 ARG 75 HB2 ARG 75 7.182 10.780 3.687 458 HG2 ARG 75 HG1 ARG 75 7.689 13.082 4.059 459 HG3 ARG 75 HG2 ARG 75 7.146 13.510 2.429 460 HD2 ARG 75 HD1 ARG 75 4.871 12.488 3.181 461 HD3 ARG 75 HD2 ARG 75 5.520 12.717 4.812 462 HE ARG 75 HE ARG 75 5.188 14.970 4.594 463 HH11 ARG 75 HH11 ARG 75 5.043 13.487 1.447 464 HH12 ARG 75 HH12 ARG 75 4.511 14.928 0.648 465 HH21 ARG 75 HH21 ARG 75 4.487 16.874 3.553 466 HH22 ARG 75 HH22 ARG 75 4.196 16.856 1.847 467 H ASP 76 H ASP 76 9.102 9.472 3.819 468 HA ASP 76 HA ASP 76 9.921 7.379 2.036 469 HB2 ASP 76 HB1 ASP 76 9.349 7.037 4.978 470 HB3 ASP 76 HB2 ASP 76 10.506 6.156 3.969 471 HD2 ASP 76 HD ASP 76 12.784 8.860 4.097 472 H ALA 77 H ALA 77 7.046 8.141 3.893 473 HA ALA 77 HA ALA 77 5.790 5.598 3.470 474 HB1 ALA 77 HB1 ALA 77 4.880 6.514 5.331 475 HB2 ALA 77 HB2 ALA 77 5.046 8.166 4.735 476 HB3 ALA 77 HB3 ALA 77 3.727 7.148 4.156 477 H MET 78 H MET 78 6.011 8.582 1.727 478 HA MET 78 HA MET 78 3.690 8.414 0.160 479 HB2 MET 78 HB1 MET 78 6.255 9.865 0.058 480 HB3 MET 78 HB2 MET 78 5.477 9.620 -1.513 481 HG2 MET 78 HG1 MET 78 3.792 10.634 0.718 482 HG3 MET 78 HG2 MET 78 4.973 11.730 -0.001 483 HE1 MET 78 HE1 MET 78 4.758 10.702 -3.326 484 HE2 MET 78 HE2 MET 78 3.918 12.233 -3.567 485 HE3 MET 78 HE3 MET 78 5.248 12.130 -2.414 486 H CYS 79 H CYS 79 6.859 6.930 -0.182 487 HA CYS 79 HA CYS 79 6.205 5.811 -2.777 488 HB2 CYS 79 HB1 CYS 79 8.581 6.432 -1.414 489 HB3 CYS 79 HB2 CYS 79 8.558 4.672 -1.536 490 H CYS 80 H CYS 80 6.425 3.467 -3.162 491 HA CYS 80 HA CYS 80 4.682 1.989 -1.537 492 HB2 CYS 80 HB1 CYS 80 6.481 1.391 -3.835 493 HB3 CYS 80 HB2 CYS 80 5.903 0.022 -2.883 494 HA PRO 81 HA PRO 81 7.146 0.239 1.642 495 HB2 PRO 81 HB1 PRO 81 6.174 -2.316 1.809 496 HB3 PRO 81 HB2 PRO 81 5.273 -0.897 2.339 497 HG2 PRO 81 HG1 PRO 81 5.104 -2.395 -0.253 498 HG3 PRO 81 HG2 PRO 81 3.774 -1.794 0.805 499 HD2 PRO 81 HD1 PRO 81 4.542 -0.507 -1.457 500 HD3 PRO 81 HD2 PRO 81 3.954 0.350 -0.023 501 H GLY 82 H GLY 82 8.977 -0.991 2.047 502 HA2 GLY 82 HA2 GLY 82 10.489 -2.783 1.553 503 HA3 GLY 82 HA3 GLY 82 9.906 -2.770 -0.105 504 HA1 GLY 82 HA1 GLY 82 10.486 -1.924 1.757 505 H THR 83 H THR 83 10.072 0.265 -0.010 506 HA THR 83 HA THR 83 12.990 0.453 -0.387 507 HB THR 83 HB THR 83 12.149 2.450 -1.959 508 HG1 THR 83 HG1 THR 83 10.172 0.508 -2.500 509 HG21 THR 83 HG21 THR 83 12.933 -0.319 -2.362 510 HG22 THR 83 HG22 THR 83 13.412 1.128 -3.249 511 HG23 THR 83 HG23 THR 83 11.924 0.284 -3.677 512 H LEU 84 H LEU 84 13.732 2.823 -0.358 513 HA LEU 84 HA LEU 84 12.283 4.326 1.714 514 HB2 LEU 84 HB1 LEU 84 14.334 3.015 2.521 515 HB3 LEU 84 HB2 LEU 84 15.279 4.194 1.594 516 HG LEU 84 HG LEU 84 13.822 5.883 3.083 517 HD11 LEU 84 HD11 LEU 84 14.248 3.514 4.894 518 HD12 LEU 84 HD12 LEU 84 12.687 3.976 4.216 519 HD13 LEU 84 HD13 LEU 84 13.532 5.071 5.312 520 HD21 LEU 84 HD21 LEU 84 16.389 4.481 3.803 521 HD22 LEU 84 HD22 LEU 84 15.778 5.900 4.656 522 HD23 LEU 84 HD23 LEU 84 16.194 6.010 2.945 523 H CYS 85 H CYS 85 12.263 6.528 1.501 524 HA CYS 85 HA CYS 85 12.876 7.572 -1.100 525 HB2 CYS 85 HB1 CYS 85 10.888 8.198 0.381 526 HB3 CYS 85 HB2 CYS 85 12.027 9.179 1.307 527 H VAL 86 H VAL 86 15.022 7.737 -1.499 528 HA VAL 86 HA VAL 86 16.631 9.314 0.403 529 HB VAL 86 HB VAL 86 17.677 7.355 -1.642 530 HG11 VAL 86 HG11 VAL 86 19.676 7.559 0.042 531 HG12 VAL 86 HG12 VAL 86 19.445 8.762 -1.228 532 HG13 VAL 86 HG13 VAL 86 18.924 9.109 0.420 533 HG21 VAL 86 HG21 VAL 86 17.066 7.013 1.282 534 HG22 VAL 86 HG22 VAL 86 16.501 6.037 -0.075 535 HG23 VAL 86 HG23 VAL 86 18.193 5.967 0.419 536 H ASN 87 H ASN 87 17.616 11.129 -0.293 537 HA ASN 87 HA ASN 87 18.044 12.940 -1.603 538 HB2 ASN 87 HB1 ASN 87 19.489 10.971 -2.605 539 HB3 ASN 87 HB2 ASN 87 18.395 11.157 -3.980 540 HD21 ASN 87 HD21 ASN 87 18.672 12.803 -5.364 541 HD22 ASN 87 HD22 ASN 87 19.885 14.024 -5.206 542 H ASP 88 H ASP 88 15.313 12.212 -1.368 543 HA ASP 88 HA ASP 88 13.281 12.784 -2.217 544 HB2 ASP 88 HB1 ASP 88 14.844 14.830 -2.903 545 HB3 ASP 88 HB2 ASP 88 14.488 14.229 -4.528 546 HD2 ASP 88 HD ASP 88 11.570 15.926 -2.469 547 H VAL 89 H VAL 89 14.757 10.407 -3.174 548 HA VAL 89 HA VAL 89 13.039 9.831 -5.455 549 HB VAL 89 HB VAL 89 16.017 9.336 -5.562 550 HG11 VAL 89 HG11 VAL 89 13.835 8.764 -7.564 551 HG12 VAL 89 HG12 VAL 89 15.566 8.573 -7.858 552 HG13 VAL 89 HG13 VAL 89 14.758 7.572 -6.650 553 HG21 VAL 89 HG21 VAL 89 15.995 10.944 -7.429 554 HG22 VAL 89 HG22 VAL 89 14.294 11.278 -7.102 555 HG23 VAL 89 HG23 VAL 89 15.520 11.686 -5.902 556 H CYS 90 H CYS 90 12.359 7.740 -5.535 557 HA CYS 90 HA CYS 90 12.552 6.146 -3.238 558 HB2 CYS 90 HB1 CYS 90 10.998 6.167 -5.522 559 HB3 CYS 90 HB2 CYS 90 11.916 4.669 -5.684 560 H THR 91 H THR 91 14.357 5.220 -2.532 561 HA THR 91 HA THR 91 16.071 3.835 -4.492 562 HB THR 91 HB THR 91 16.947 5.175 -1.924 563 HG1 THR 91 HG1 THR 91 18.215 6.338 -3.733 564 HG21 THR 91 HG21 THR 91 19.233 4.650 -2.748 565 HG22 THR 91 HG22 THR 91 18.510 3.681 -4.032 566 HG23 THR 91 HG23 THR 91 18.291 3.215 -2.345 567 H THR 92 H THR 92 16.720 1.779 -4.033 568 HA THR 92 HA THR 92 15.168 0.171 -2.379 569 HB THR 92 HB THR 92 17.381 -1.351 -2.566 570 HG1 THR 92 HG1 THR 92 18.704 -0.691 -4.131 571 HG21 THR 92 HG21 THR 92 15.861 -0.924 -5.098 572 HG22 THR 92 HG22 THR 92 14.988 -1.459 -3.661 573 HG23 THR 92 HG23 THR 92 16.317 -2.427 -4.297 574 H MET 93 H MET 93 15.333 -0.566 -0.318 575 HA MET 93 HA MET 93 16.734 0.952 1.584 576 HB2 MET 93 HB1 MET 93 15.054 -1.476 1.582 577 HB3 MET 93 HB2 MET 93 16.192 -1.346 2.933 578 HG2 MET 93 HG1 MET 93 15.277 0.945 3.387 579 HG3 MET 93 HG2 MET 93 14.041 0.610 2.175 580 HE1 MET 93 HE1 MET 93 15.701 -0.212 5.341 581 HE2 MET 93 HE2 MET 93 14.291 0.479 6.145 582 HE3 MET 93 HE3 MET 93 14.615 -1.251 6.265 583 H GLU 94 H GLU 94 17.466 -2.136 0.044 584 HA GLU 94 HA GLU 94 19.647 -2.878 1.640 585 HB2 GLU 94 HB1 GLU 94 19.114 -3.451 -1.286 586 HB3 GLU 94 HB2 GLU 94 20.329 -4.274 -0.296 587 HG2 GLU 94 HG1 GLU 94 18.740 -5.386 0.988 588 HG3 GLU 94 HG2 GLU 94 17.454 -4.264 0.521 589 HE2 GLU 94 HE GLU 94 16.731 -7.066 -1.489 590 H ASP 95 H ASP 95 19.426 -0.778 -1.176 591 HA ASP 95 HA ASP 95 22.242 -0.456 -1.501 592 HB2 ASP 95 HB1 ASP 95 19.783 0.663 -2.694 593 HB3 ASP 95 HB2 ASP 95 21.172 1.760 -2.683 594 HD2 ASP 95 HD ASP 95 21.099 -0.912 -5.426 595 H ALA 96 H ALA 96 19.704 1.418 0.101 596 HA ALA 96 HA ALA 96 21.341 3.604 0.837 597 HB1 ALA 96 HB1 ALA 96 18.625 2.835 1.161 598 HB2 ALA 96 HB2 ALA 96 19.263 3.295 2.741 599 HB3 ALA 96 HB3 ALA 96 19.357 4.424 1.389 600 H THR 97 H THR 97 23.250 2.856 1.746 601 HA THR 97 HA THR 97 23.163 2.346 4.558 602 HB THR 97 HB THR 97 24.743 0.199 3.976 603 HG1 THR 97 HG1 THR 97 24.048 -0.802 2.224 604 HG21 THR 97 HG21 THR 97 22.111 0.678 5.077 605 HG22 THR 97 HG22 THR 97 23.339 -0.488 5.571 606 HG23 THR 97 HG23 THR 97 22.198 -0.897 4.289 607 H GLU 98 H GLU 98 25.309 1.784 1.760 608 HA GLU 98 HA GLU 98 27.228 3.658 2.942 609 HB2 GLU 98 HB1 GLU 98 27.640 0.772 2.384 610 HB3 GLU 98 HB2 GLU 98 28.955 1.865 1.925 611 HG2 GLU 98 HG1 GLU 98 29.239 2.630 4.151 612 HG3 GLU 98 HG2 GLU 98 27.742 1.842 4.671 613 HE2 GLU 98 HE GLU 98 29.911 -0.636 5.739 614 H ASN 99 H ASN 99 28.342 4.887 1.489 615 HA ASN 99 HA ASN 99 27.347 4.901 -1.217 616 HB2 ASN 99 HB1 ASN 99 28.807 6.912 -1.470 617 HB3 ASN 99 HB2 ASN 99 27.656 7.032 -0.133 618 HD21 ASN 99 HD21 ASN 99 30.900 7.196 -1.038 619 HD22 ASN 99 HD22 ASN 99 31.591 7.325 0.540 620 H LEU 100 H LEU 100 28.240 3.886 -2.881 621 HA LEU 100 HA LEU 100 30.611 2.355 -2.626 622 HB2 LEU 100 HB1 LEU 100 28.541 2.816 -4.627 623 HB3 LEU 100 HB2 LEU 100 30.150 2.610 -5.341 624 HG LEU 100 HG LEU 100 29.853 0.542 -3.452 625 HD11 LEU 100 HD11 LEU 100 27.544 0.400 -5.335 626 HD12 LEU 100 HD12 LEU 100 27.364 1.235 -3.793 627 HD13 LEU 100 HD13 LEU 100 27.819 -0.468 -3.824 628 HD21 LEU 100 HD21 LEU 100 29.609 -0.750 -5.741 629 HD22 LEU 100 HD22 LEU 100 31.130 0.010 -5.268 630 HD23 LEU 100 HD23 LEU 100 30.052 0.823 -6.404 631 H TYR 101 H TYR 101 32.452 2.531 -4.200 632 HA TYR 101 HA TYR 101 33.086 5.090 -5.305 633 HB2 TYR 101 HB1 TYR 101 33.885 4.487 -2.564 634 HB3 TYR 101 HB2 TYR 101 35.270 4.841 -3.600 635 HD1 TYR 101 HD1 TYR 101 32.772 6.279 -1.581 636 HD2 TYR 101 HD2 TYR 101 35.035 6.981 -5.115 637 HE1 TYR 101 HE1 TYR 101 32.330 8.689 -1.378 638 HE2 TYR 101 HE2 TYR 101 34.601 9.394 -4.921 639 HH TYR 101 HH TYR 101 33.808 11.021 -3.583 640 H PHE 102 H PHE 102 35.588 5.087 -5.846 641 HA PHE 102 HA PHE 102 36.116 2.472 -7.070 642 HB2 PHE 102 HB1 PHE 102 36.533 5.265 -7.888 643 HB3 PHE 102 HB2 PHE 102 37.915 4.215 -8.203 644 HD1 PHE 102 HD1 PHE 102 37.959 3.763 -10.461 645 HD2 PHE 102 HD2 PHE 102 34.257 3.533 -8.372 646 HE1 PHE 102 HE1 PHE 102 36.870 2.898 -12.491 647 HE2 PHE 102 HE2 PHE 102 33.163 2.668 -10.399 648 HZ PHE 102 HZ PHE 102 34.470 2.348 -12.462 649 H GLN 103 H GLN 103 38.367 1.753 -7.205 650 HA GLN 103 HA GLN 103 40.331 2.872 -5.451 651 HB2 GLN 103 HB1 GLN 103 38.483 1.197 -4.233 652 HB3 GLN 103 HB2 GLN 103 39.867 0.138 -4.555 653 HG2 GLN 103 HG1 GLN 103 40.773 2.647 -3.479 654 HG3 GLN 103 HG2 GLN 103 39.541 1.928 -2.432 655 HE21 GLN 103 HE21 GLN 103 39.864 -0.476 -2.043 656 HE22 GLN 103 HE22 GLN 103 41.479 -0.984 -1.699 657 H SER 104 H SER 104 42.137 1.017 -5.135 658 HA SER 104 HA SER 104 43.780 -0.162 -6.177 659 HB2 SER 104 HB1 SER 104 41.896 -1.835 -6.319 660 HB3 SER 104 HB2 SER 104 41.582 -1.235 -7.957 661 HG SER 104 HG SER 104 43.146 -2.447 -8.627 662 H LEU 105 H LEU 105 44.870 1.586 -7.060 663 HA LEU 105 HA LEU 105 44.173 2.375 -9.796 664 HB2 LEU 105 HB1 LEU 105 46.286 3.640 -8.068 665 HB3 LEU 105 HB2 LEU 105 45.444 4.326 -9.468 666 HG LEU 105 HG LEU 105 43.399 3.865 -7.677 667 HD11 LEU 105 HD11 LEU 105 44.445 5.222 -5.681 668 HD12 LEU 105 HD12 LEU 105 45.930 4.442 -6.224 669 HD13 LEU 105 HD13 LEU 105 44.547 3.461 -5.741 670 HD21 LEU 105 HD21 LEU 105 43.386 5.821 -8.935 671 HD22 LEU 105 HD22 LEU 105 45.011 6.278 -8.425 672 HD23 LEU 105 HD23 LEU 105 43.665 6.398 -7.292 673 H GLU 106 H GLU 106 46.286 3.028 -11.077 674 HA GLU 106 HA GLU 106 48.142 0.745 -10.900 675 HB2 GLU 106 HB1 GLU 106 46.412 1.364 -12.985 676 HB3 GLU 106 HB2 GLU 106 47.980 1.979 -13.531 677 HG2 GLU 106 HG1 GLU 106 48.217 -0.119 -14.309 678 HG3 GLU 106 HG2 GLU 106 48.747 -0.426 -12.649 679 HE2 GLU 106 HE GLU 106 45.937 -2.635 -13.781 680 H HIS 107 H HIS 107 50.147 1.345 -12.445 681 HA HIS 107 HA HIS 107 50.995 4.073 -12.333 682 HB2 HIS 107 HB1 HIS 107 51.244 3.184 -9.940 683 HB3 HIS 107 HB2 HIS 107 52.555 2.187 -10.575 684 HD1 HIS 107 HD1 HIS 107 52.152 5.225 -8.879 685 HD2 HIS 107 HD2 HIS 107 54.454 4.058 -12.135 686 HE1 HIS 107 HE1 HIS 107 54.001 6.923 -9.039 687 HE2 HIS 107 HE2 HIS 107 55.408 6.211 -11.028 688 H HIS 108 H HIS 108 52.354 4.396 -13.970 689 HA HIS 108 HA HIS 108 54.390 2.509 -14.683 690 HB2 HIS 108 HB1 HIS 108 51.857 2.195 -15.894 691 HB3 HIS 108 HB2 HIS 108 52.906 2.921 -17.115 692 HD1 HIS 108 HD1 HIS 108 52.973 -0.056 -14.750 693 HD2 HIS 108 HD2 HIS 108 54.473 1.147 -18.433 694 HE1 HIS 108 HE1 HIS 108 54.160 -2.067 -15.682 695 HE2 HIS 108 HE2 HIS 108 55.076 -1.334 -17.934 696 H HIS 109 H HIS 109 55.482 3.264 -16.813 697 HA HIS 109 HA HIS 109 55.176 5.921 -17.693 698 HB2 HIS 109 HB1 HIS 109 57.333 6.816 -16.698 699 HB3 HIS 109 HB2 HIS 109 55.963 6.683 -15.590 700 HD1 HIS 109 HD1 HIS 109 59.405 5.476 -16.110 701 HD2 HIS 109 HD2 HIS 109 56.151 4.525 -13.708 702 HE1 HIS 109 HE1 HIS 109 60.323 4.012 -14.284 703 HE2 HIS 109 HE2 HIS 109 58.335 3.431 -12.815 704 H HIS 110 H HIS 110 55.504 5.053 -19.709 705 HA HIS 110 HA HIS 110 58.277 4.527 -20.411 706 HB2 HIS 110 HB1 HIS 110 56.548 2.390 -19.975 707 HB3 HIS 110 HB2 HIS 110 56.543 2.593 -21.730 708 HD1 HIS 110 HD1 HIS 110 58.514 1.718 -23.000 709 HD2 HIS 110 HD2 HIS 110 59.221 1.915 -18.911 710 HE1 HIS 110 HE1 HIS 110 60.725 0.574 -22.644 711 HE2 HIS 110 HE2 HIS 110 61.158 0.694 -20.145 712 H HIS 111 H HIS 111 58.669 4.629 -22.717 713 HA HIS 111 HA HIS 111 58.463 5.615 -24.757 714 HB2 HIS 111 HB1 HIS 111 56.401 3.977 -24.638 715 HB3 HIS 111 HB2 HIS 111 55.478 5.481 -24.586 716 HD1 HIS 111 HD1 HIS 111 58.032 3.775 -26.815 717 HD2 HIS 111 HD2 HIS 111 55.015 6.624 -27.010 718 HE1 HIS 111 HE1 HIS 111 57.791 4.333 -29.255 719 HE2 HIS 111 HE2 HIS 111 55.947 6.075 -29.375 720 H HIS 112 H HIS 112 59.170 7.663 -24.327 721 HA HIS 112 HA HIS 112 57.825 9.654 -22.928 722 HB2 HIS 112 HB1 HIS 112 60.269 9.483 -24.012 723 HB3 HIS 112 HB2 HIS 112 59.495 10.479 -25.248 724 HD1 HIS 112 HD1 HIS 112 59.945 10.535 -21.470 725 HD2 HIS 112 HD2 HIS 112 59.508 13.128 -24.687 726 HE1 HIS 112 HE1 HIS 112 60.215 12.844 -20.513 727 HE2 HIS 112 HE2 HIS 112 59.948 14.429 -22.479 Start of MODEL 10 1 H1 MET 18 H MET 18 -21.220 -17.703 -23.691 2 HA MET 18 HA MET 18 -19.179 -15.846 -23.556 3 HB2 MET 18 HB1 MET 18 -21.887 -14.505 -23.750 4 HB3 MET 18 HB2 MET 18 -20.346 -13.707 -23.401 5 HG2 MET 18 HG1 MET 18 -20.433 -13.238 -25.609 6 HG3 MET 18 HG2 MET 18 -19.690 -14.837 -25.718 7 HE1 MET 18 HE1 MET 18 -21.791 -16.047 -28.501 8 HE2 MET 18 HE2 MET 18 -20.582 -14.770 -28.370 9 HE3 MET 18 HE3 MET 18 -20.361 -16.287 -27.496 10 H LEU 19 H LEU 19 -19.883 -17.872 -21.946 11 HA LEU 19 HA LEU 19 -20.879 -16.526 -19.521 12 HB2 LEU 19 HB1 LEU 19 -21.155 -19.450 -20.240 13 HB3 LEU 19 HB2 LEU 19 -21.741 -18.672 -18.759 14 HG LEU 19 HG LEU 19 -22.884 -17.302 -20.970 15 HD11 LEU 19 HD11 LEU 19 -24.218 -19.230 -21.881 16 HD12 LEU 19 HD12 LEU 19 -23.028 -20.302 -21.142 17 HD13 LEU 19 HD13 LEU 19 -22.531 -19.162 -22.392 18 HD21 LEU 19 HD21 LEU 19 -24.919 -17.827 -19.892 19 HD22 LEU 19 HD22 LEU 19 -23.725 -17.644 -18.608 20 HD23 LEU 19 HD23 LEU 19 -24.231 -19.255 -19.120 21 H VAL 20 H VAL 20 -18.692 -15.931 -19.053 22 HA VAL 20 HA VAL 20 -16.879 -18.136 -18.389 23 HB VAL 20 HB VAL 20 -16.292 -15.174 -18.413 24 HG11 VAL 20 HG11 VAL 20 -14.652 -16.097 -17.078 25 HG12 VAL 20 HG12 VAL 20 -14.648 -17.626 -17.957 26 HG13 VAL 20 HG13 VAL 20 -13.909 -16.193 -18.673 27 HG21 VAL 20 HG21 VAL 20 -16.409 -15.369 -20.638 28 HG22 VAL 20 HG22 VAL 20 -14.915 -16.297 -20.507 29 HG23 VAL 20 HG23 VAL 20 -16.467 -17.131 -20.569 30 H LEU 21 H LEU 21 -16.185 -18.546 -16.342 31 HA LEU 21 HA LEU 21 -17.800 -17.817 -14.172 32 HB2 LEU 21 HB1 LEU 21 -15.646 -19.571 -14.665 33 HB3 LEU 21 HB2 LEU 21 -15.175 -18.559 -13.290 34 HG LEU 21 HG LEU 21 -16.173 -20.595 -12.485 35 HD11 LEU 21 HD11 LEU 21 -16.639 -18.393 -11.350 36 HD12 LEU 21 HD12 LEU 21 -17.776 -19.694 -11.001 37 HD13 LEU 21 HD13 LEU 21 -18.218 -18.418 -12.135 38 HD21 LEU 21 HD21 LEU 21 -18.671 -20.923 -12.980 39 HD22 LEU 21 HD22 LEU 21 -17.510 -21.387 -14.225 40 HD23 LEU 21 HD23 LEU 21 -18.393 -19.866 -14.364 41 H ASP 22 H ASP 22 -17.611 -16.320 -12.564 42 HA ASP 22 HA ASP 22 -15.272 -14.611 -12.415 43 HB2 ASP 22 HB1 ASP 22 -18.009 -13.558 -13.168 44 HB3 ASP 22 HB2 ASP 22 -16.696 -12.535 -12.571 45 HD2 ASP 22 HD ASP 22 -14.856 -13.060 -15.560 46 H PHE 23 H PHE 23 -15.078 -15.524 -10.338 47 HA PHE 23 HA PHE 23 -17.026 -15.696 -8.384 48 HB2 PHE 23 HB1 PHE 23 -14.048 -15.402 -8.331 49 HB3 PHE 23 HB2 PHE 23 -14.937 -15.254 -6.815 50 HD1 PHE 23 HD1 PHE 23 -14.238 -17.536 -9.631 51 HD2 PHE 23 HD2 PHE 23 -15.807 -17.134 -5.694 52 HE1 PHE 23 HE1 PHE 23 -14.324 -19.986 -9.419 53 HE2 PHE 23 HE2 PHE 23 -15.894 -19.583 -5.477 54 HZ PHE 23 HZ PHE 23 -15.152 -21.012 -7.339 55 H ASN 24 H ASN 24 -17.892 -14.337 -6.886 56 HA ASN 24 HA ASN 24 -16.870 -11.667 -6.504 57 HB2 ASN 24 HB1 ASN 24 -19.122 -12.213 -8.308 58 HB3 ASN 24 HB2 ASN 24 -19.492 -11.024 -7.054 59 HD21 ASN 24 HD21 ASN 24 -18.547 -11.242 -10.108 60 HD22 ASN 24 HD22 ASN 24 -17.565 -9.826 -10.248 61 H ASN 25 H ASN 25 -16.697 -12.559 -4.368 62 HA ASN 25 HA ASN 25 -19.270 -12.565 -2.935 63 HB2 ASN 25 HB1 ASN 25 -18.170 -14.836 -3.131 64 HB3 ASN 25 HB2 ASN 25 -16.853 -14.194 -2.141 65 HD21 ASN 25 HD21 ASN 25 -17.166 -15.505 -0.401 66 HD22 ASN 25 HD22 ASN 25 -18.555 -15.419 0.621 67 H ILE 26 H ILE 26 -19.428 -11.230 -1.233 68 HA ILE 26 HA ILE 26 -16.964 -9.905 -0.303 69 HB ILE 26 HB ILE 26 -18.421 -7.950 0.265 70 HG12 ILE 26 HG11 ILE 26 -20.440 -9.149 -1.619 71 HG13 ILE 26 HG12 ILE 26 -20.537 -9.437 0.127 72 HG21 ILE 26 HG21 ILE 26 -17.849 -8.878 -2.497 73 HG22 ILE 26 HG22 ILE 26 -18.823 -7.422 -2.296 74 HG23 ILE 26 HG23 ILE 26 -17.200 -7.500 -1.609 75 HD11 ILE 26 HD11 ILE 26 -21.567 -7.265 -1.293 76 HD12 ILE 26 HD12 ILE 26 -21.504 -7.479 0.457 77 HD13 ILE 26 HD13 ILE 26 -20.198 -6.638 -0.376 78 H ARG 27 H ARG 27 -17.206 -8.947 1.929 79 HA ARG 27 HA ARG 27 -19.050 -10.396 3.662 80 HB2 ARG 27 HB1 ARG 27 -17.196 -11.038 5.201 81 HB3 ARG 27 HB2 ARG 27 -17.159 -11.879 3.646 82 HG2 ARG 27 HG1 ARG 27 -15.469 -10.185 2.869 83 HG3 ARG 27 HG2 ARG 27 -15.399 -9.617 4.546 84 HD2 ARG 27 HD1 ARG 27 -13.595 -11.166 4.212 85 HD3 ARG 27 HD2 ARG 27 -14.808 -11.929 5.248 86 HE ARG 27 HE ARG 27 -15.178 -12.547 2.476 87 HH11 ARG 27 HH11 ARG 27 -13.419 -13.391 5.360 88 HH12 ARG 27 HH12 ARG 27 -13.121 -15.022 4.857 89 HH21 ARG 27 HH21 ARG 27 -14.791 -14.692 1.803 90 HH22 ARG 27 HH22 ARG 27 -13.901 -15.760 2.833 91 H SER 28 H SER 28 -18.859 -7.647 2.871 92 HA SER 28 HA SER 28 -18.829 -6.444 5.490 93 HB2 SER 28 HB1 SER 28 -17.315 -4.537 4.277 94 HB3 SER 28 HB2 SER 28 -16.654 -5.810 5.320 95 HG SER 28 HG SER 28 -15.490 -6.092 3.542 96 H SER 29 H SER 29 -20.061 -4.590 5.606 97 HA SER 29 HA SER 29 -21.110 -3.464 3.118 98 HB2 SER 29 HB1 SER 29 -22.776 -4.670 5.338 99 HB3 SER 29 HB2 SER 29 -23.434 -3.510 4.171 100 HG SER 29 HG SER 29 -23.357 -6.035 3.817 101 H ALA 30 H ALA 30 -20.112 -1.520 3.462 102 HA ALA 30 HA ALA 30 -20.166 -0.168 5.981 103 HB1 ALA 30 HB1 ALA 30 -18.759 1.337 5.037 104 HB2 ALA 30 HB2 ALA 30 -18.548 0.033 3.868 105 HB3 ALA 30 HB3 ALA 30 -19.639 1.371 3.509 106 H ASP 31 H ASP 31 -21.657 1.170 6.778 107 HA ASP 31 HA ASP 31 -23.550 2.481 4.979 108 HB2 ASP 31 HB1 ASP 31 -24.462 0.234 5.869 109 HB3 ASP 31 HB2 ASP 31 -24.575 1.062 7.428 110 HD2 ASP 31 HD ASP 31 -27.480 2.608 6.516 111 H LEU 32 H LEU 32 -22.583 4.442 5.493 112 HA LEU 32 HA LEU 32 -22.871 5.312 8.294 113 HB2 LEU 32 HB1 LEU 32 -20.612 5.325 6.708 114 HB3 LEU 32 HB2 LEU 32 -21.211 6.988 6.581 115 HG LEU 32 HG LEU 32 -21.056 5.914 9.321 116 HD11 LEU 32 HD11 LEU 32 -19.049 4.911 8.567 117 HD12 LEU 32 HD12 LEU 32 -18.588 6.403 9.385 118 HD13 LEU 32 HD13 LEU 32 -18.608 6.334 7.624 119 HD21 LEU 32 HD21 LEU 32 -19.952 8.461 8.166 120 HD22 LEU 32 HD22 LEU 32 -20.398 8.121 9.838 121 HD23 LEU 32 HD23 LEU 32 -21.651 8.267 8.603 122 H HIS 33 H HIS 33 -23.981 7.158 8.748 123 HA HIS 33 HA HIS 33 -25.611 8.245 6.594 124 HB2 HIS 33 HB1 HIS 33 -25.715 8.423 9.601 125 HB3 HIS 33 HB2 HIS 33 -26.691 9.490 8.587 126 HD1 HIS 33 HD1 HIS 33 -27.728 7.142 10.535 127 HD2 HIS 33 HD2 HIS 33 -27.514 7.058 6.387 128 HE1 HIS 33 HE1 HIS 33 -29.407 5.416 9.809 129 HE2 HIS 33 HE2 HIS 33 -29.277 5.364 7.273 130 H GLY 34 H GLY 34 -23.196 9.066 6.017 131 HA2 GLY 34 HA2 GLY 34 -22.828 11.726 7.221 132 HA3 GLY 34 HA3 GLY 34 -21.608 10.840 6.319 133 HA1 GLY 34 HA1 GLY 34 -23.568 11.521 6.788 134 H ALA 35 H ALA 35 -22.629 10.223 3.990 135 HA ALA 35 HA ALA 35 -23.069 11.037 1.911 136 HB1 ALA 35 HB1 ALA 35 -25.169 12.133 3.641 137 HB2 ALA 35 HB2 ALA 35 -24.937 12.997 2.120 138 HB3 ALA 35 HB3 ALA 35 -25.294 11.269 2.108 139 H ARG 36 H ARG 36 -20.918 11.935 1.823 140 HA ARG 36 HA ARG 36 -20.981 14.853 1.586 141 HB2 ARG 36 HB1 ARG 36 -18.932 13.242 3.112 142 HB3 ARG 36 HB2 ARG 36 -18.645 14.902 2.569 143 HG2 ARG 36 HG1 ARG 36 -21.112 14.979 3.892 144 HG3 ARG 36 HG2 ARG 36 -20.056 13.962 4.887 145 HD2 ARG 36 HD1 ARG 36 -19.473 16.769 3.920 146 HD3 ARG 36 HD2 ARG 36 -19.845 16.269 5.575 147 HE ARG 36 HE ARG 36 -17.630 14.807 4.834 148 HH11 ARG 36 HH11 ARG 36 -18.459 18.173 5.152 149 HH12 ARG 36 HH12 ARG 36 -16.846 18.668 5.546 150 HH21 ARG 36 HH21 ARG 36 -15.503 15.445 5.351 151 HH22 ARG 36 HH22 ARG 36 -15.165 17.115 5.657 152 H LYS 37 H LYS 37 -20.170 15.522 -0.291 153 HA LYS 37 HA LYS 37 -18.710 13.590 -1.941 154 HB2 LYS 37 HB1 LYS 37 -20.216 16.127 -2.591 155 HB3 LYS 37 HB2 LYS 37 -19.199 15.290 -3.774 156 HG2 LYS 37 HG1 LYS 37 -21.369 13.813 -2.327 157 HG3 LYS 37 HG2 LYS 37 -21.737 14.822 -3.737 158 HD2 LYS 37 HD1 LYS 37 -20.668 13.435 -5.201 159 HD3 LYS 37 HD2 LYS 37 -19.482 12.911 -3.992 160 HE2 LYS 37 HE1 LYS 37 -20.871 11.029 -4.468 161 HE3 LYS 37 HE2 LYS 37 -21.321 11.632 -2.866 162 HZ1 LYS 37 HZ1 LYS 37 -23.199 11.062 -4.431 163 HZ2 LYS 37 HZ2 LYS 37 -22.776 12.442 -5.312 164 HZ3 LYS 37 HZ3 LYS 37 -23.275 12.587 -3.703 165 H GLY 38 H GLY 38 -16.613 13.752 -1.215 166 HA2 GLY 38 HA2 GLY 38 -15.118 16.007 -2.177 167 HA3 GLY 38 HA3 GLY 38 -15.189 15.948 -0.421 168 HA1 GLY 38 HA1 GLY 38 -15.254 15.163 -2.397 169 H SER 39 H SER 39 -14.358 14.028 0.644 170 HA SER 39 HA SER 39 -11.830 13.279 -0.336 171 HB2 SER 39 HB1 SER 39 -12.929 11.388 1.601 172 HB3 SER 39 HB2 SER 39 -11.541 12.482 1.748 173 HG SER 39 HG SER 39 -12.905 14.120 2.379 174 H GLN 40 H GLN 40 -11.332 11.889 -1.882 175 HA GLN 40 HA GLN 40 -13.278 10.094 -2.978 176 HB2 GLN 40 HB1 GLN 40 -10.610 11.074 -3.682 177 HB3 GLN 40 HB2 GLN 40 -10.862 9.370 -4.092 178 HG2 GLN 40 HG1 GLN 40 -13.014 11.264 -4.848 179 HG3 GLN 40 HG2 GLN 40 -11.489 11.365 -5.738 180 HE21 GLN 40 HE21 GLN 40 -14.032 9.134 -4.752 181 HE22 GLN 40 HE22 GLN 40 -13.872 8.068 -6.102 182 H CYS 41 H CYS 41 -10.569 9.837 -0.789 183 HA CYS 41 HA CYS 41 -11.376 7.128 -0.121 184 HB2 CYS 41 HB1 CYS 41 -9.128 6.199 -0.337 185 HB3 CYS 41 HB2 CYS 41 -9.715 6.784 -1.894 186 H LEU 42 H LEU 42 -10.963 6.589 1.981 187 HA LEU 42 HA LEU 42 -9.989 8.752 3.679 188 HB2 LEU 42 HB1 LEU 42 -11.808 6.464 3.978 189 HB3 LEU 42 HB2 LEU 42 -10.755 6.752 5.374 190 HG LEU 42 HG LEU 42 -12.936 7.832 5.634 191 HD11 LEU 42 HD11 LEU 42 -12.073 9.645 6.665 192 HD12 LEU 42 HD12 LEU 42 -11.158 10.156 5.247 193 HD13 LEU 42 HD13 LEU 42 -10.544 8.859 6.271 194 HD21 LEU 42 HD21 LEU 42 -12.138 9.260 3.107 195 HD22 LEU 42 HD22 LEU 42 -13.395 9.850 4.197 196 HD23 LEU 42 HD23 LEU 42 -13.581 8.288 3.399 197 H SER 43 H SER 43 -9.197 5.472 2.739 198 HA SER 43 HA SER 43 -6.637 5.751 4.156 199 HB2 SER 43 HB1 SER 43 -8.288 3.209 4.012 200 HB3 SER 43 HB2 SER 43 -6.701 3.384 4.783 201 HG SER 43 HG SER 43 -9.054 4.781 5.543 202 H ASP 44 H ASP 44 -4.858 4.728 3.184 203 HA ASP 44 HA ASP 44 -4.729 4.807 0.417 204 HB2 ASP 44 HB1 ASP 44 -2.974 3.099 2.197 205 HB3 ASP 44 HB2 ASP 44 -2.563 3.759 0.609 206 HD2 ASP 44 HD ASP 44 -2.662 7.041 2.315 207 H THR 45 H THR 45 -5.569 2.157 2.546 208 HA THR 45 HA THR 45 -5.395 0.077 0.633 209 HB THR 45 HB THR 45 -6.760 -1.243 2.185 210 HG1 THR 45 HG1 THR 45 -7.541 -0.214 4.093 211 HG21 THR 45 HG21 THR 45 -5.144 -1.441 3.804 212 HG22 THR 45 HG22 THR 45 -4.960 0.304 3.988 213 HG23 THR 45 HG23 THR 45 -4.258 -0.516 2.594 214 H ASP 46 H ASP 46 -7.819 2.461 1.347 215 HA ASP 46 HA ASP 46 -10.012 1.159 0.096 216 HB2 ASP 46 HB1 ASP 46 -9.544 3.603 1.482 217 HB3 ASP 46 HB2 ASP 46 -10.290 3.999 -0.072 218 HD2 ASP 46 HD ASP 46 -12.737 2.980 2.584 219 H CYS 47 H CYS 47 -7.349 3.057 -1.070 220 HA CYS 47 HA CYS 47 -8.295 4.007 -3.484 221 HB2 CYS 47 HB1 CYS 47 -6.037 4.442 -2.485 222 HB3 CYS 47 HB2 CYS 47 -5.544 2.838 -3.033 223 H ASN 48 H ASN 48 -6.334 1.041 -3.215 224 HA ASN 48 HA ASN 48 -8.150 -0.336 -5.028 225 HB2 ASN 48 HB1 ASN 48 -6.243 0.929 -6.291 226 HB3 ASN 48 HB2 ASN 48 -5.224 -0.384 -5.693 227 HD21 ASN 48 HD21 ASN 48 -8.101 0.325 -7.583 228 HD22 ASN 48 HD22 ASN 48 -8.037 -1.102 -8.556 229 H THR 49 H THR 49 -4.837 -0.805 -3.791 230 HA THR 49 HA THR 49 -5.478 -2.684 -1.825 231 HB THR 49 HB THR 49 -6.213 -4.206 -3.501 232 HG1 THR 49 HG1 THR 49 -3.530 -5.005 -3.038 233 HG21 THR 49 HG21 THR 49 -5.190 -3.101 -5.442 234 HG22 THR 49 HG22 THR 49 -4.862 -4.835 -5.436 235 HG23 THR 49 HG23 THR 49 -3.608 -3.697 -4.941 236 H ARG 50 H ARG 50 -3.140 -1.730 -4.290 237 HA ARG 50 HA ARG 50 -1.037 -1.873 -2.239 238 HB2 ARG 50 HB1 ARG 50 -0.734 -2.677 -5.144 239 HB3 ARG 50 HB2 ARG 50 0.559 -2.644 -3.936 240 HG2 ARG 50 HG1 ARG 50 -1.381 -4.233 -2.763 241 HG3 ARG 50 HG2 ARG 50 -1.418 -4.689 -4.476 242 HD2 ARG 50 HD1 ARG 50 0.176 -6.118 -3.462 243 HD3 ARG 50 HD2 ARG 50 1.095 -4.899 -4.353 244 HE ARG 50 HE ARG 50 0.729 -4.052 -1.686 245 HH11 ARG 50 HH11 ARG 50 2.502 -6.369 -3.586 246 HH12 ARG 50 HH12 ARG 50 3.829 -6.458 -2.476 247 HH21 ARG 50 HH21 ARG 50 2.471 -4.161 -0.218 248 HH22 ARG 50 HH22 ARG 50 3.810 -5.202 -0.561 249 H LYS 51 H LYS 51 -2.687 0.340 -3.246 250 HA LYS 51 HA LYS 51 -0.548 2.023 -4.379 251 HB2 LYS 51 HB1 LYS 51 -3.481 1.884 -4.946 252 HB3 LYS 51 HB2 LYS 51 -2.666 3.452 -5.068 253 HG2 LYS 51 HG1 LYS 51 -2.506 2.701 -7.230 254 HG3 LYS 51 HG2 LYS 51 -0.968 2.144 -6.550 255 HD2 LYS 51 HD1 LYS 51 -1.613 -0.069 -6.509 256 HD3 LYS 51 HD2 LYS 51 -3.335 0.336 -6.410 257 HE2 LYS 51 HE1 LYS 51 -3.568 0.571 -8.668 258 HE3 LYS 51 HE2 LYS 51 -1.911 1.160 -8.871 259 HZ1 LYS 51 HZ1 LYS 51 -1.751 -0.900 -9.802 260 HZ2 LYS 51 HZ2 LYS 51 -2.898 -1.598 -8.772 261 HZ3 LYS 51 HZ3 LYS 51 -1.333 -1.286 -8.209 262 H PHE 52 H PHE 52 -0.697 4.335 -3.784 263 HA PHE 52 HA PHE 52 -1.624 4.615 -1.003 264 HB2 PHE 52 HB1 PHE 52 0.092 6.410 -0.806 265 HB3 PHE 52 HB2 PHE 52 0.775 4.819 -1.153 266 HD1 PHE 52 HD1 PHE 52 2.008 4.392 -3.121 267 HD2 PHE 52 HD2 PHE 52 -0.044 8.090 -2.645 268 HE1 PHE 52 HE1 PHE 52 3.193 5.297 -5.078 269 HE2 PHE 52 HE2 PHE 52 1.136 9.001 -4.602 270 HZ PHE 52 HZ PHE 52 2.756 7.604 -5.823 271 H CYS 53 H CYS 53 -2.820 6.381 -0.394 272 HA CYS 53 HA CYS 53 -4.249 7.729 -2.506 273 HB2 CYS 53 HB1 CYS 53 -4.471 7.586 0.480 274 HB3 CYS 53 HB2 CYS 53 -5.294 8.887 -0.383 275 H LEU 54 H LEU 54 -3.257 9.361 -3.508 276 HA LEU 54 HA LEU 54 -1.501 11.149 -2.021 277 HB2 LEU 54 HB1 LEU 54 -1.248 10.106 -4.476 278 HB3 LEU 54 HB2 LEU 54 -2.089 11.610 -4.887 279 HG LEU 54 HG LEU 54 0.324 11.847 -5.126 280 HD11 LEU 54 HD11 LEU 54 0.619 13.845 -3.724 281 HD12 LEU 54 HD12 LEU 54 -0.823 13.401 -2.813 282 HD13 LEU 54 HD13 LEU 54 -0.951 13.812 -4.523 283 HD21 LEU 54 HD21 LEU 54 0.805 11.731 -2.215 284 HD22 LEU 54 HD22 LEU 54 1.855 11.286 -3.560 285 HD23 LEU 54 HD23 LEU 54 0.580 10.186 -3.035 286 H GLN 55 H GLN 55 -2.443 12.772 -0.972 287 HA GLN 55 HA GLN 55 -4.603 14.241 -2.333 288 HB2 GLN 55 HB1 GLN 55 -5.389 14.834 0.008 289 HB3 GLN 55 HB2 GLN 55 -5.643 13.158 -0.505 290 HG2 GLN 55 HG1 GLN 55 -4.179 12.310 0.997 291 HG3 GLN 55 HG2 GLN 55 -3.128 13.731 0.931 292 HE21 GLN 55 HE21 GLN 55 -2.945 14.158 3.059 293 HE22 GLN 55 HE22 GLN 55 -4.266 14.589 4.084 294 HA PRO 56 HA PRO 56 -1.162 17.213 -1.789 295 HB2 PRO 56 HB1 PRO 56 -1.759 18.643 -4.046 296 HB3 PRO 56 HB2 PRO 56 -0.794 17.168 -4.056 297 HG2 PRO 56 HG1 PRO 56 -3.715 17.533 -4.630 298 HG3 PRO 56 HG2 PRO 56 -2.488 16.571 -5.533 299 HD2 PRO 56 HD1 PRO 56 -4.267 15.439 -3.825 300 HD3 PRO 56 HD2 PRO 56 -2.623 14.817 -4.045 301 H ARG 57 H ARG 57 -1.195 19.382 -1.155 302 HA ARG 57 HA ARG 57 -3.740 20.299 -0.140 303 HB2 ARG 57 HB1 ARG 57 -0.965 20.706 0.477 304 HB3 ARG 57 HB2 ARG 57 -1.752 22.275 0.252 305 HG2 ARG 57 HG1 ARG 57 -3.142 22.015 2.057 306 HG3 ARG 57 HG2 ARG 57 -3.095 20.247 1.962 307 HD2 ARG 57 HD1 ARG 57 -0.823 20.210 2.819 308 HD3 ARG 57 HD2 ARG 57 -0.777 21.978 2.811 309 HE ARG 57 HE ARG 57 -2.904 21.395 4.400 310 HH11 ARG 57 HH11 ARG 57 0.445 20.446 4.373 311 HH12 ARG 57 HH12 ARG 57 0.539 20.248 6.091 312 HH21 ARG 57 HH21 ARG 57 -2.793 21.137 6.665 313 HH22 ARG 57 HH22 ARG 57 -1.304 20.640 7.394 314 H ASP 58 H ASP 58 -1.608 21.026 -2.784 315 HA ASP 58 HA ASP 58 -2.965 23.523 -3.401 316 HB2 ASP 58 HB1 ASP 58 -0.517 23.339 -3.698 317 HB3 ASP 58 HB2 ASP 58 -0.777 22.077 -4.910 318 HD2 ASP 58 HD ASP 58 -1.327 24.385 -7.371 319 H GLU 59 H GLU 59 -3.076 20.193 -4.283 320 HA GLU 59 HA GLU 59 -4.988 20.838 -6.430 321 HB2 GLU 59 HB1 GLU 59 -2.616 19.260 -6.528 322 HB3 GLU 59 HB2 GLU 59 -4.005 18.182 -6.737 323 HG2 GLU 59 HG1 GLU 59 -4.061 18.758 -8.872 324 HG3 GLU 59 HG2 GLU 59 -4.551 20.378 -8.359 325 HE2 GLU 59 HE GLU 59 -0.682 19.902 -9.160 326 H LYS 60 H LYS 60 -6.282 18.625 -6.893 327 HA LYS 60 HA LYS 60 -7.703 18.115 -4.410 328 HB2 LYS 60 HB1 LYS 60 -8.286 17.917 -7.297 329 HB3 LYS 60 HB2 LYS 60 -9.023 16.655 -6.295 330 HG2 LYS 60 HG1 LYS 60 -10.437 18.088 -5.255 331 HG3 LYS 60 HG2 LYS 60 -9.292 19.438 -5.336 332 HD2 LYS 60 HD1 LYS 60 -10.148 18.605 -7.986 333 HD3 LYS 60 HD2 LYS 60 -11.519 19.049 -6.954 334 HE2 LYS 60 HE1 LYS 60 -10.642 21.224 -6.547 335 HE3 LYS 60 HE2 LYS 60 -9.076 20.782 -7.244 336 HZ1 LYS 60 HZ1 LYS 60 -11.235 20.406 -9.085 337 HZ2 LYS 60 HZ2 LYS 60 -9.787 21.256 -9.284 338 HZ3 LYS 60 HZ3 LYS 60 -11.117 22.009 -8.560 339 HA PRO 61 HA PRO 61 -6.183 14.076 -3.617 340 HB2 PRO 61 HB1 PRO 61 -8.436 12.740 -2.819 341 HB3 PRO 61 HB2 PRO 61 -7.642 13.976 -1.844 342 HG2 PRO 61 HG1 PRO 61 -10.015 14.222 -3.663 343 HG3 PRO 61 HG2 PRO 61 -9.780 14.874 -1.998 344 HD2 PRO 61 HD1 PRO 61 -9.520 16.407 -4.225 345 HD3 PRO 61 HD2 PRO 61 -8.544 16.661 -2.768 346 H PHE 62 H PHE 62 -5.607 12.414 -4.867 347 HA PHE 62 HA PHE 62 -7.544 11.113 -6.596 348 HB2 PHE 62 HB1 PHE 62 -6.357 11.422 -8.638 349 HB3 PHE 62 HB2 PHE 62 -6.553 13.021 -7.918 350 HD1 PHE 62 HD1 PHE 62 -4.280 10.937 -9.503 351 HD2 PHE 62 HD2 PHE 62 -4.550 13.707 -6.283 352 HE1 PHE 62 HE1 PHE 62 -1.851 11.313 -9.626 353 HE2 PHE 62 HE2 PHE 62 -2.123 14.088 -6.402 354 HZ PHE 62 HZ PHE 62 -0.770 12.891 -8.076 355 H CYS 63 H CYS 63 -6.977 9.018 -7.171 356 HA CYS 63 HA CYS 63 -5.124 7.725 -5.431 357 HB2 CYS 63 HB1 CYS 63 -7.137 6.933 -7.427 358 HB3 CYS 63 HB2 CYS 63 -5.756 5.838 -7.321 359 H ALA 64 H ALA 64 -3.074 7.107 -5.770 360 HA ALA 64 HA ALA 64 -1.946 7.539 -8.460 361 HB1 ALA 64 HB1 ALA 64 -0.822 8.119 -5.746 362 HB2 ALA 64 HB2 ALA 64 0.242 7.859 -7.128 363 HB3 ALA 64 HB3 ALA 64 -0.934 9.173 -7.156 364 H THR 65 H THR 65 -0.062 6.193 -8.986 365 HA THR 65 HA THR 65 -0.491 3.458 -8.058 366 HB THR 65 HB THR 65 1.056 2.862 -9.959 367 HG1 THR 65 HG1 THR 65 0.634 5.514 -10.861 368 HG21 THR 65 HG21 THR 65 -1.655 3.796 -10.033 369 HG22 THR 65 HG22 THR 65 -0.896 2.511 -10.972 370 HG23 THR 65 HG23 THR 65 -0.856 4.174 -11.558 371 H CYS 66 H CYS 66 1.339 2.069 -7.581 372 HA CYS 66 HA CYS 66 3.017 3.050 -5.611 373 HB2 CYS 66 HB1 CYS 66 2.506 0.668 -5.896 374 HB3 CYS 66 HB2 CYS 66 3.453 0.638 -7.384 375 H ARG 67 H ARG 67 5.056 3.864 -5.533 376 HA ARG 67 HA ARG 67 6.146 4.868 -8.031 377 HB2 ARG 67 HB1 ARG 67 7.015 5.291 -5.161 378 HB3 ARG 67 HB2 ARG 67 7.710 6.109 -6.568 379 HG2 ARG 67 HG1 ARG 67 4.847 6.332 -5.633 380 HG3 ARG 67 HG2 ARG 67 6.122 7.541 -5.407 381 HD2 ARG 67 HD1 ARG 67 6.361 7.496 -7.972 382 HD3 ARG 67 HD2 ARG 67 4.797 6.670 -7.954 383 HE ARG 67 HE ARG 67 4.671 9.037 -6.409 384 HH11 ARG 67 HH11 ARG 67 4.796 7.916 -9.703 385 HH12 ARG 67 HH12 ARG 67 3.958 9.293 -10.340 386 HH21 ARG 67 HH21 ARG 67 3.567 10.853 -7.235 387 HH22 ARG 67 HH22 ARG 67 3.260 10.963 -8.935 388 H GLY 68 H GLY 68 8.044 4.258 -8.960 389 HA2 GLY 68 HA2 GLY 68 9.188 1.748 -8.016 390 HA3 GLY 68 HA3 GLY 68 9.493 2.515 -9.568 391 HA1 GLY 68 HA1 GLY 68 9.193 2.439 -7.465 392 H LEU 69 H LEU 69 11.687 1.628 -8.597 393 HA LEU 69 HA LEU 69 12.984 3.258 -6.657 394 HB2 LEU 69 HB1 LEU 69 14.106 1.375 -8.739 395 HB3 LEU 69 HB2 LEU 69 15.045 2.123 -7.436 396 HG LEU 69 HG LEU 69 12.825 0.104 -7.135 397 HD11 LEU 69 HD11 LEU 69 15.167 -0.603 -7.884 398 HD12 LEU 69 HD12 LEU 69 14.470 -1.419 -6.486 399 HD13 LEU 69 HD13 LEU 69 15.680 -0.158 -6.256 400 HD21 LEU 69 HD21 LEU 69 14.106 0.419 -4.697 401 HD22 LEU 69 HD22 LEU 69 12.487 0.981 -5.117 402 HD23 LEU 69 HD23 LEU 69 13.868 2.067 -5.280 403 H ARG 70 H ARG 70 12.530 3.467 -10.087 404 HA ARG 70 HA ARG 70 14.566 5.543 -10.355 405 HB2 ARG 70 HB1 ARG 70 12.767 4.213 -12.395 406 HB3 ARG 70 HB2 ARG 70 13.965 5.460 -12.773 407 HG2 ARG 70 HG1 ARG 70 15.420 3.575 -11.360 408 HG3 ARG 70 HG2 ARG 70 14.319 2.615 -12.363 409 HD2 ARG 70 HD1 ARG 70 15.045 4.133 -14.305 410 HD3 ARG 70 HD2 ARG 70 16.363 4.635 -13.235 411 HE ARG 70 HE ARG 70 16.138 2.148 -14.636 412 HH11 ARG 70 HH11 ARG 70 17.465 3.701 -11.817 413 HH12 ARG 70 HH12 ARG 70 18.755 2.560 -11.635 414 HH21 ARG 70 HH21 ARG 70 17.832 0.639 -14.408 415 HH22 ARG 70 HH22 ARG 70 18.964 0.818 -13.110 416 H ARG 71 H ARG 71 11.731 5.631 -9.028 417 HA ARG 71 HA ARG 71 10.707 7.969 -10.481 418 HB2 ARG 71 HB1 ARG 71 9.477 5.892 -8.739 419 HB3 ARG 71 HB2 ARG 71 8.780 7.519 -8.685 420 HG2 ARG 71 HG1 ARG 71 9.187 5.962 -11.237 421 HG3 ARG 71 HG2 ARG 71 7.685 5.955 -10.296 422 HD2 ARG 71 HD1 ARG 71 8.138 8.632 -10.521 423 HD3 ARG 71 HD2 ARG 71 8.811 8.033 -12.043 424 HE ARG 71 HE ARG 71 6.349 6.822 -11.785 425 HH11 ARG 71 HH11 ARG 71 7.569 10.077 -11.968 426 HH12 ARG 71 HH12 ARG 71 6.141 10.710 -12.716 427 HH21 ARG 71 HH21 ARG 71 4.462 7.643 -12.770 428 HH22 ARG 71 HH22 ARG 71 4.373 9.326 -13.171 429 H ARG 72 H ARG 72 10.543 9.949 -9.532 430 HA ARG 72 HA ARG 72 12.199 10.462 -7.259 431 HB2 ARG 72 HB1 ARG 72 10.285 12.334 -8.673 432 HB3 ARG 72 HB2 ARG 72 11.609 12.795 -7.595 433 HG2 ARG 72 HG1 ARG 72 12.533 11.135 -9.792 434 HG3 ARG 72 HG2 ARG 72 11.720 12.607 -10.348 435 HD2 ARG 72 HD1 ARG 72 13.217 14.018 -9.193 436 HD3 ARG 72 HD2 ARG 72 13.824 12.681 -8.207 437 HE ARG 72 HE ARG 72 14.386 12.083 -10.869 438 HH11 ARG 72 HH11 ARG 72 15.272 14.441 -8.466 439 HH12 ARG 72 HH12 ARG 72 16.850 14.714 -9.127 440 HH21 ARG 72 HH21 ARG 72 16.461 12.432 -11.748 441 HH22 ARG 72 HH22 ARG 72 17.525 13.570 -10.994 442 H CYS 73 H CYS 73 11.588 11.305 -5.242 443 HA CYS 73 HA CYS 73 8.772 11.358 -4.532 444 HB2 CYS 73 HB1 CYS 73 8.918 9.748 -2.762 445 HB3 CYS 73 HB2 CYS 73 9.494 8.980 -4.243 446 H GLN 74 H GLN 74 8.341 12.469 -2.596 447 HA GLN 74 HA GLN 74 10.613 14.065 -1.621 448 HB2 GLN 74 HB1 GLN 74 7.763 14.663 -2.166 449 HB3 GLN 74 HB2 GLN 74 8.461 15.429 -0.729 450 HG2 GLN 74 HG1 GLN 74 10.392 16.075 -2.389 451 HG3 GLN 74 HG2 GLN 74 9.126 15.831 -3.599 452 HE21 GLN 74 HE21 GLN 74 9.433 17.350 -0.402 453 HE22 GLN 74 HE22 GLN 74 8.612 18.809 -0.829 454 H ARG 75 H ARG 75 7.623 12.480 -0.532 455 HA ARG 75 HA ARG 75 8.698 12.454 2.202 456 HB2 ARG 75 HB1 ARG 75 6.354 13.399 1.573 457 HB3 ARG 75 HB2 ARG 75 5.884 11.695 1.496 458 HG2 ARG 75 HG1 ARG 75 6.995 11.588 3.873 459 HG3 ARG 75 HG2 ARG 75 6.676 13.331 3.850 460 HD2 ARG 75 HD1 ARG 75 4.403 11.722 2.937 461 HD3 ARG 75 HD2 ARG 75 4.892 11.386 4.605 462 HE ARG 75 HE ARG 75 4.798 14.119 4.436 463 HH11 ARG 75 HH11 ARG 75 2.563 11.509 3.877 464 HH12 ARG 75 HH12 ARG 75 1.166 12.440 4.311 465 HH21 ARG 75 HH21 ARG 75 2.968 15.354 5.009 466 HH22 ARG 75 HH22 ARG 75 1.398 14.626 4.954 467 H ASP 76 H ASP 76 8.754 10.541 3.405 468 HA ASP 76 HA ASP 76 9.471 8.217 1.996 469 HB2 ASP 76 HB1 ASP 76 9.909 9.057 4.501 470 HB3 ASP 76 HB2 ASP 76 8.558 7.958 4.814 471 HD2 ASP 76 HD ASP 76 11.585 6.002 4.984 472 H ALA 77 H ALA 77 6.424 9.359 3.202 473 HA ALA 77 HA ALA 77 5.095 6.814 3.057 474 HB1 ALA 77 HB1 ALA 77 3.264 7.865 3.922 475 HB2 ALA 77 HB2 ALA 77 4.523 8.979 4.457 476 HB3 ALA 77 HB3 ALA 77 3.559 9.358 3.028 477 H MET 78 H MET 78 5.606 9.540 0.932 478 HA MET 78 HA MET 78 3.593 9.078 -0.947 479 HB2 MET 78 HB1 MET 78 6.145 10.542 -0.856 480 HB3 MET 78 HB2 MET 78 5.654 10.027 -2.476 481 HG2 MET 78 HG1 MET 78 3.371 11.071 -1.908 482 HG3 MET 78 HG2 MET 78 4.235 11.863 -0.587 483 HE1 MET 78 HE1 MET 78 4.314 10.889 -4.118 484 HE2 MET 78 HE2 MET 78 3.974 12.445 -4.874 485 HE3 MET 78 HE3 MET 78 5.630 11.840 -4.806 486 H CYS 79 H CYS 79 6.728 7.568 -0.516 487 HA CYS 79 HA CYS 79 6.517 6.077 -2.993 488 HB2 CYS 79 HB1 CYS 79 8.600 6.715 -1.081 489 HB3 CYS 79 HB2 CYS 79 8.588 4.989 -1.446 490 H CYS 80 H CYS 80 7.073 3.633 -2.769 491 HA CYS 80 HA CYS 80 4.938 2.461 -1.223 492 HB2 CYS 80 HB1 CYS 80 6.732 1.621 -3.416 493 HB3 CYS 80 HB2 CYS 80 6.258 0.335 -2.303 494 HA PRO 81 HA PRO 81 7.177 0.978 2.245 495 HB2 PRO 81 HB1 PRO 81 6.092 -1.507 2.635 496 HB3 PRO 81 HB2 PRO 81 5.230 -0.004 2.965 497 HG2 PRO 81 HG1 PRO 81 5.116 -1.769 0.543 498 HG3 PRO 81 HG2 PRO 81 3.765 -1.008 1.462 499 HD2 PRO 81 HD1 PRO 81 4.690 -0.005 -0.884 500 HD3 PRO 81 HD2 PRO 81 4.073 1.026 0.420 501 H GLY 82 H GLY 82 9.005 -0.147 2.795 502 HA2 GLY 82 HA2 GLY 82 10.467 -2.047 2.607 503 HA3 GLY 82 HA3 GLY 82 9.920 -2.252 0.950 504 HA1 GLY 82 HA1 GLY 82 10.481 -1.171 2.692 505 H THR 83 H THR 83 10.170 0.792 0.691 506 HA THR 83 HA THR 83 13.093 0.834 0.308 507 HB THR 83 HB THR 83 12.582 2.511 -1.548 508 HG1 THR 83 HG1 THR 83 10.009 1.294 -1.404 509 HG21 THR 83 HG21 THR 83 11.483 0.298 -2.846 510 HG22 THR 83 HG22 THR 83 12.448 -0.377 -1.534 511 HG23 THR 83 HG23 THR 83 13.192 0.706 -2.710 512 H LEU 84 H LEU 84 13.908 3.175 0.065 513 HA LEU 84 HA LEU 84 12.528 4.929 1.983 514 HB2 LEU 84 HB1 LEU 84 14.634 3.628 2.803 515 HB3 LEU 84 HB2 LEU 84 15.513 4.825 1.836 516 HG LEU 84 HG LEU 84 14.223 6.574 3.230 517 HD11 LEU 84 HD11 LEU 84 13.573 5.846 5.449 518 HD12 LEU 84 HD12 LEU 84 13.981 4.179 5.046 519 HD13 LEU 84 HD13 LEU 84 12.641 4.982 4.226 520 HD21 LEU 84 HD21 LEU 84 16.207 4.985 4.812 521 HD22 LEU 84 HD22 LEU 84 16.018 6.734 4.693 522 HD23 LEU 84 HD23 LEU 84 16.694 5.826 3.340 523 H CYS 85 H CYS 85 12.701 7.141 1.621 524 HA CYS 85 HA CYS 85 13.189 7.884 -1.117 525 HB2 CYS 85 HB1 CYS 85 12.057 9.208 1.307 526 HB3 CYS 85 HB2 CYS 85 12.666 10.241 0.013 527 H VAL 86 H VAL 86 15.318 7.891 -1.632 528 HA VAL 86 HA VAL 86 17.095 9.574 0.011 529 HB VAL 86 HB VAL 86 17.884 7.282 -1.793 530 HG11 VAL 86 HG11 VAL 86 20.037 7.709 -0.268 531 HG12 VAL 86 HG12 VAL 86 19.791 8.510 -1.821 532 HG13 VAL 86 HG13 VAL 86 19.401 9.352 -0.321 533 HG21 VAL 86 HG21 VAL 86 18.463 6.118 0.294 534 HG22 VAL 86 HG22 VAL 86 17.784 7.458 1.217 535 HG23 VAL 86 HG23 VAL 86 16.739 6.476 0.191 536 H ASN 87 H ASN 87 18.150 11.231 -0.936 537 HA ASN 87 HA ASN 87 18.614 12.849 -2.468 538 HB2 ASN 87 HB1 ASN 87 18.795 10.486 -4.357 539 HB3 ASN 87 HB2 ASN 87 19.496 12.087 -4.622 540 HD21 ASN 87 HD21 ASN 87 20.742 9.419 -4.420 541 HD22 ASN 87 HD22 ASN 87 21.946 9.569 -3.191 542 H ASP 88 H ASP 88 15.860 12.319 -2.018 543 HA ASP 88 HA ASP 88 13.819 12.911 -2.828 544 HB2 ASP 88 HB1 ASP 88 15.654 14.631 -4.057 545 HB3 ASP 88 HB2 ASP 88 14.618 14.056 -5.371 546 HD2 ASP 88 HD ASP 88 12.902 16.218 -2.514 547 H VAL 89 H VAL 89 15.128 10.372 -3.611 548 HA VAL 89 HA VAL 89 13.266 9.672 -5.743 549 HB VAL 89 HB VAL 89 16.215 9.032 -5.909 550 HG11 VAL 89 HG11 VAL 89 15.042 7.154 -6.735 551 HG12 VAL 89 HG12 VAL 89 13.863 8.163 -7.574 552 HG13 VAL 89 HG13 VAL 89 15.528 8.084 -8.152 553 HG21 VAL 89 HG21 VAL 89 15.761 11.324 -6.550 554 HG22 VAL 89 HG22 VAL 89 16.138 10.367 -7.983 555 HG23 VAL 89 HG23 VAL 89 14.466 10.795 -7.624 556 H CYS 90 H CYS 90 12.550 7.569 -5.666 557 HA CYS 90 HA CYS 90 12.679 6.228 -3.201 558 HB2 CYS 90 HB1 CYS 90 11.124 6.064 -5.488 559 HB3 CYS 90 HB2 CYS 90 11.970 4.516 -5.460 560 H THR 91 H THR 91 14.398 5.237 -2.391 561 HA THR 91 HA THR 91 16.045 3.588 -4.196 562 HB THR 91 HB THR 91 17.089 5.090 -1.790 563 HG1 THR 91 HG1 THR 91 16.550 6.553 -3.450 564 HG21 THR 91 HG21 THR 91 18.190 2.913 -2.711 565 HG22 THR 91 HG22 THR 91 19.200 4.313 -2.351 566 HG23 THR 91 HG23 THR 91 18.741 3.962 -4.017 567 H THR 92 H THR 92 16.317 1.528 -3.606 568 HA THR 92 HA THR 92 14.848 0.352 -1.550 569 HB THR 92 HB THR 92 17.265 -1.146 -2.255 570 HG1 THR 92 HG1 THR 92 16.608 -1.363 -4.474 571 HG21 THR 92 HG21 THR 92 14.313 -1.536 -2.191 572 HG22 THR 92 HG22 THR 92 15.595 -2.504 -1.464 573 HG23 THR 92 HG23 THR 92 15.277 -2.619 -3.195 574 H MET 93 H MET 93 15.336 -0.357 0.501 575 HA MET 93 HA MET 93 17.068 1.150 2.066 576 HB2 MET 93 HB1 MET 93 15.225 -0.991 2.447 577 HB3 MET 93 HB2 MET 93 16.725 -1.401 3.295 578 HG2 MET 93 HG1 MET 93 16.466 0.211 4.851 579 HG3 MET 93 HG2 MET 93 15.769 1.348 3.693 580 HE1 MET 93 HE1 MET 93 15.445 -0.407 6.604 581 HE2 MET 93 HE2 MET 93 14.266 0.877 6.876 582 HE3 MET 93 HE3 MET 93 13.753 -0.812 6.902 583 H GLU 94 H GLU 94 17.504 -2.183 0.883 584 HA GLU 94 HA GLU 94 20.075 -2.558 1.944 585 HB2 GLU 94 HB1 GLU 94 18.481 -3.848 -0.237 586 HB3 GLU 94 HB2 GLU 94 20.200 -4.244 -0.077 587 HG2 GLU 94 HG1 GLU 94 19.513 -5.836 1.326 588 HG3 GLU 94 HG2 GLU 94 19.347 -4.513 2.489 589 HE2 GLU 94 HE GLU 94 16.185 -6.457 1.898 590 H ASP 95 H ASP 95 18.961 -0.921 -0.908 591 HA ASP 95 HA ASP 95 21.535 -0.834 -2.191 592 HB2 ASP 95 HB1 ASP 95 18.827 0.320 -2.728 593 HB3 ASP 95 HB2 ASP 95 20.230 1.044 -3.525 594 HD2 ASP 95 HD ASP 95 20.816 -1.939 -5.344 595 H ALA 96 H ALA 96 19.794 1.089 0.105 596 HA ALA 96 HA ALA 96 20.940 3.586 -0.194 597 HB1 ALA 96 HB1 ALA 96 19.920 4.082 1.743 598 HB2 ALA 96 HB2 ALA 96 19.230 2.465 1.596 599 HB3 ALA 96 HB3 ALA 96 20.659 2.727 2.595 600 H THR 97 H THR 97 22.584 4.617 1.240 601 HA THR 97 HA THR 97 25.095 3.452 0.891 602 HB THR 97 HB THR 97 24.696 5.890 1.221 603 HG1 THR 97 HG1 THR 97 26.803 4.976 1.489 604 HG21 THR 97 HG21 THR 97 23.284 5.208 3.416 605 HG22 THR 97 HG22 THR 97 23.989 6.805 3.169 606 HG23 THR 97 HG23 THR 97 24.832 5.612 4.158 607 H GLU 98 H GLU 98 22.781 3.097 3.441 608 HA GLU 98 HA GLU 98 24.378 1.025 4.654 609 HB2 GLU 98 HB1 GLU 98 24.396 1.968 6.898 610 HB3 GLU 98 HB2 GLU 98 25.252 3.032 5.771 611 HG2 GLU 98 HG1 GLU 98 23.618 4.661 5.832 612 HG3 GLU 98 HG2 GLU 98 22.372 3.524 6.362 613 HE2 GLU 98 HE GLU 98 24.725 4.053 9.420 614 H ASN 99 H ASN 99 23.145 0.183 6.693 615 HA ASN 99 HA ASN 99 20.248 0.439 6.343 616 HB2 ASN 99 HB1 ASN 99 21.439 -1.615 5.135 617 HB3 ASN 99 HB2 ASN 99 21.332 -2.307 6.759 618 HD21 ASN 99 HD21 ASN 99 19.986 -3.208 4.399 619 HD22 ASN 99 HD22 ASN 99 18.290 -3.094 4.708 620 H LEU 100 H LEU 100 19.011 -0.342 8.166 621 HA LEU 100 HA LEU 100 20.547 -0.174 10.666 622 HB2 LEU 100 HB1 LEU 100 18.436 1.326 9.867 623 HB3 LEU 100 HB2 LEU 100 17.610 0.034 10.756 624 HG LEU 100 HG LEU 100 19.526 0.725 12.544 625 HD11 LEU 100 HD11 LEU 100 20.488 2.563 11.532 626 HD12 LEU 100 HD12 LEU 100 19.260 3.307 12.557 627 HD13 LEU 100 HD13 LEU 100 18.964 3.106 10.829 628 HD21 LEU 100 HD21 LEU 100 17.789 1.642 13.810 629 HD22 LEU 100 HD22 LEU 100 16.982 0.507 12.727 630 HD23 LEU 100 HD23 LEU 100 16.939 2.236 12.383 631 H TYR 101 H TYR 101 19.706 -1.450 12.509 632 HA TYR 101 HA TYR 101 18.076 -3.748 11.980 633 HB2 TYR 101 HB1 TYR 101 20.828 -3.976 11.414 634 HB3 TYR 101 HB2 TYR 101 20.579 -4.811 12.950 635 HD1 TYR 101 HD1 TYR 101 18.950 -6.695 13.100 636 HD2 TYR 101 HD2 TYR 101 20.030 -4.939 9.379 637 HE1 TYR 101 HE1 TYR 101 18.071 -8.667 11.921 638 HE2 TYR 101 HE2 TYR 101 19.153 -6.905 8.189 639 HH TYR 101 HH TYR 101 17.993 -8.810 8.384 640 H PHE 102 H PHE 102 17.578 -4.945 13.876 641 HA PHE 102 HA PHE 102 18.337 -3.571 16.370 642 HB2 PHE 102 HB1 PHE 102 15.715 -4.740 15.463 643 HB3 PHE 102 HB2 PHE 102 16.072 -4.555 17.181 644 HD1 PHE 102 HD1 PHE 102 15.689 -2.688 14.017 645 HD2 PHE 102 HD2 PHE 102 15.923 -2.470 18.262 646 HE1 PHE 102 HE1 PHE 102 14.973 -0.336 13.932 647 HE2 PHE 102 HE2 PHE 102 15.205 -0.118 18.184 648 HZ PHE 102 HZ PHE 102 14.729 0.952 16.017 649 H GLN 103 H GLN 103 20.142 -5.284 15.972 650 HA GLN 103 HA GLN 103 19.508 -7.536 17.707 651 HB2 GLN 103 HB1 GLN 103 20.647 -7.816 14.921 652 HB3 GLN 103 HB2 GLN 103 20.753 -9.088 16.147 653 HG2 GLN 103 HG1 GLN 103 18.122 -8.656 16.252 654 HG3 GLN 103 HG2 GLN 103 18.426 -8.153 14.584 655 HE21 GLN 103 HE21 GLN 103 17.245 -9.896 13.781 656 HE22 GLN 103 HE22 GLN 103 17.873 -11.506 13.788 657 H SER 104 H SER 104 21.568 -8.771 18.257 658 HA SER 104 HA SER 104 23.496 -6.886 19.194 659 HB2 SER 104 HB1 SER 104 24.272 -9.726 19.290 660 HB3 SER 104 HB2 SER 104 24.135 -8.539 20.599 661 HG SER 104 HG SER 104 22.562 -10.109 20.885 662 H LEU 105 H LEU 105 25.745 -6.844 18.726 663 HA LEU 105 HA LEU 105 26.310 -7.293 15.920 664 HB2 LEU 105 HB1 LEU 105 27.471 -5.721 18.131 665 HB3 LEU 105 HB2 LEU 105 28.632 -6.354 16.950 666 HG LEU 105 HG LEU 105 26.240 -4.681 16.199 667 HD11 LEU 105 HD11 LEU 105 27.593 -2.768 16.178 668 HD12 LEU 105 HD12 LEU 105 29.073 -3.706 16.372 669 HD13 LEU 105 HD13 LEU 105 27.946 -3.553 17.719 670 HD21 LEU 105 HD21 LEU 105 28.473 -5.965 14.747 671 HD22 LEU 105 HD22 LEU 105 28.034 -4.333 14.244 672 HD23 LEU 105 HD23 LEU 105 26.825 -5.617 14.222 673 H GLU 106 H GLU 106 28.440 -8.235 15.284 674 HA GLU 106 HA GLU 106 29.466 -10.264 17.112 675 HB2 GLU 106 HB1 GLU 106 29.349 -11.959 15.202 676 HB3 GLU 106 HB2 GLU 106 27.837 -11.582 16.041 677 HG2 GLU 106 HG1 GLU 106 27.034 -10.270 14.260 678 HG3 GLU 106 HG2 GLU 106 28.631 -10.197 13.502 679 HE2 GLU 106 HE GLU 106 28.186 -13.687 12.577 680 H HIS 107 H HIS 107 31.358 -11.457 16.024 681 HA HIS 107 HA HIS 107 32.754 -9.930 13.997 682 HB2 HIS 107 HB1 HIS 107 34.711 -9.449 15.323 683 HB3 HIS 107 HB2 HIS 107 33.298 -8.751 16.119 684 HD1 HIS 107 HD1 HIS 107 36.206 -10.069 17.223 685 HD2 HIS 107 HD2 HIS 107 32.277 -11.235 17.907 686 HE1 HIS 107 HE1 HIS 107 36.258 -11.387 19.365 687 HE2 HIS 107 HE2 HIS 107 33.857 -12.100 19.783 688 H HIS 108 H HIS 108 35.194 -10.945 14.013 689 HA HIS 108 HA HIS 108 36.439 -12.761 13.443 690 HB2 HIS 108 HB1 HIS 108 34.946 -13.542 15.822 691 HB3 HIS 108 HB2 HIS 108 35.337 -14.927 14.800 692 HD1 HIS 108 HD1 HIS 108 37.647 -11.979 15.151 693 HD2 HIS 108 HD2 HIS 108 37.348 -15.926 16.415 694 HE1 HIS 108 HE1 HIS 108 39.870 -12.521 16.194 695 HE2 HIS 108 HE2 HIS 108 39.689 -14.933 16.967 696 H HIS 109 H HIS 109 35.666 -12.747 11.296 697 HA HIS 109 HA HIS 109 33.322 -14.145 10.498 698 HB2 HIS 109 HB1 HIS 109 35.702 -13.021 9.040 699 HB3 HIS 109 HB2 HIS 109 34.496 -13.989 8.186 700 HD1 HIS 109 HD1 HIS 109 32.095 -12.988 7.954 701 HD2 HIS 109 HD2 HIS 109 34.880 -10.433 9.678 702 HE1 HIS 109 HE1 HIS 109 31.035 -10.708 7.905 703 HE2 HIS 109 HE2 HIS 109 32.736 -9.145 8.957 704 H HIS 110 H HIS 110 33.276 -16.048 9.106 705 HA HIS 110 HA HIS 110 35.468 -17.928 9.690 706 HB2 HIS 110 HB1 HIS 110 32.493 -18.288 9.881 707 HB3 HIS 110 HB2 HIS 110 33.525 -19.677 9.526 708 HD1 HIS 110 HD1 HIS 110 35.741 -19.667 11.372 709 HD2 HIS 110 HD2 HIS 110 32.034 -18.203 12.545 710 HE1 HIS 110 HE1 HIS 110 35.745 -19.763 13.884 711 HE2 HIS 110 HE2 HIS 110 33.479 -18.869 14.604 712 H HIS 111 H HIS 111 36.414 -18.741 7.945 713 HA HIS 111 HA HIS 111 34.860 -18.940 5.454 714 HB2 HIS 111 HB1 HIS 111 37.447 -17.566 5.960 715 HB3 HIS 111 HB2 HIS 111 37.316 -18.483 4.455 716 HD1 HIS 111 HD1 HIS 111 35.186 -15.888 6.265 717 HD2 HIS 111 HD2 HIS 111 36.352 -16.986 2.432 718 HE1 HIS 111 HE1 HIS 111 34.150 -14.184 4.734 719 HE2 HIS 111 HE2 HIS 111 34.861 -14.855 2.390 720 H HIS 112 H HIS 112 38.102 -19.816 6.667 721 HA HIS 112 HA HIS 112 38.084 -22.290 5.217 722 HB2 HIS 112 HB1 HIS 112 40.115 -20.827 5.830 723 HB3 HIS 112 HB2 HIS 112 40.011 -21.586 7.422 724 HD1 HIS 112 HD1 HIS 112 39.097 -24.391 5.882 725 HD2 HIS 112 HD2 HIS 112 42.613 -22.207 5.529 726 HE1 HIS 112 HE1 HIS 112 40.816 -26.019 5.038 727 HE2 HIS 112 HE2 HIS 112 42.965 -24.686 4.820 Start of MODEL 11 1 H1 MET 18 H MET 18 -53.434 -20.982 20.805 2 HA MET 18 HA MET 18 -52.511 -18.670 21.875 3 HB2 MET 18 HB1 MET 18 -52.576 -19.832 19.186 4 HB3 MET 18 HB2 MET 18 -52.439 -18.067 19.185 5 HG2 MET 18 HG1 MET 18 -50.511 -18.315 20.794 6 HG3 MET 18 HG2 MET 18 -50.585 -20.048 20.471 7 HE1 MET 18 HE1 MET 18 -48.618 -20.927 18.543 8 HE2 MET 18 HE2 MET 18 -47.503 -19.561 18.491 9 HE3 MET 18 HE3 MET 18 -48.269 -20.016 20.014 10 H LEU 19 H LEU 19 -55.081 -18.802 19.401 11 HA LEU 19 HA LEU 19 -56.730 -17.337 18.843 12 HB2 LEU 19 HB1 LEU 19 -56.533 -16.552 21.755 13 HB3 LEU 19 HB2 LEU 19 -57.901 -16.249 20.671 14 HG LEU 19 HG LEU 19 -57.832 -18.909 20.488 15 HD11 LEU 19 HD11 LEU 19 -56.478 -19.872 21.954 16 HD12 LEU 19 HD12 LEU 19 -57.462 -19.194 23.250 17 HD13 LEU 19 HD13 LEU 19 -56.054 -18.312 22.658 18 HD21 LEU 19 HD21 LEU 19 -59.868 -18.153 21.116 19 HD22 LEU 19 HD22 LEU 19 -59.206 -17.010 22.287 20 HD23 LEU 19 HD23 LEU 19 -59.336 -18.722 22.700 21 H VAL 20 H VAL 20 -54.455 -16.385 17.949 22 HA VAL 20 HA VAL 20 -54.173 -13.618 18.882 23 HB VAL 20 HB VAL 20 -52.441 -15.078 16.887 24 HG11 VAL 20 HG11 VAL 20 -52.108 -12.787 16.580 25 HG12 VAL 20 HG12 VAL 20 -52.241 -12.442 18.306 26 HG13 VAL 20 HG13 VAL 20 -50.811 -13.261 17.677 27 HG21 VAL 20 HG21 VAL 20 -51.557 -16.214 18.579 28 HG22 VAL 20 HG22 VAL 20 -51.056 -14.686 19.304 29 HG23 VAL 20 HG23 VAL 20 -52.614 -15.394 19.728 30 H LEU 21 H LEU 21 -55.238 -12.077 17.846 31 HA LEU 21 HA LEU 21 -56.276 -12.586 15.167 32 HB2 LEU 21 HB1 LEU 21 -57.000 -10.872 17.439 33 HB3 LEU 21 HB2 LEU 21 -57.148 -10.089 15.857 34 HG LEU 21 HG LEU 21 -58.402 -12.532 15.497 35 HD11 LEU 21 HD11 LEU 21 -58.629 -13.204 17.683 36 HD12 LEU 21 HD12 LEU 21 -60.117 -12.288 17.448 37 HD13 LEU 21 HD13 LEU 21 -58.754 -11.554 18.292 38 HD21 LEU 21 HD21 LEU 21 -59.617 -9.868 16.223 39 HD22 LEU 21 HD22 LEU 21 -60.437 -11.194 15.400 40 HD23 LEU 21 HD23 LEU 21 -59.099 -10.359 14.610 41 H ASP 22 H ASP 22 -55.983 -11.120 13.433 42 HA ASP 22 HA ASP 22 -53.533 -9.499 13.663 43 HB2 ASP 22 HB1 ASP 22 -53.986 -11.633 11.982 44 HB3 ASP 22 HB2 ASP 22 -54.364 -10.247 10.952 45 HD2 ASP 22 HD ASP 22 -50.686 -11.079 11.259 46 H PHE 23 H PHE 23 -53.514 -7.432 12.871 47 HA PHE 23 HA PHE 23 -56.136 -6.342 12.104 48 HB2 PHE 23 HB1 PHE 23 -53.930 -5.364 13.804 49 HB3 PHE 23 HB2 PHE 23 -54.625 -4.154 12.725 50 HD1 PHE 23 HD1 PHE 23 -55.908 -6.879 14.934 51 HD2 PHE 23 HD2 PHE 23 -56.267 -2.845 13.625 52 HE1 PHE 23 HE1 PHE 23 -57.787 -6.546 16.488 53 HE2 PHE 23 HE2 PHE 23 -58.146 -2.505 15.178 54 HZ PHE 23 HZ PHE 23 -58.907 -4.357 16.612 55 H ASN 24 H ASN 24 -52.659 -5.953 11.450 56 HA ASN 24 HA ASN 24 -52.931 -5.943 8.663 57 HB2 ASN 24 HB1 ASN 24 -53.892 -3.591 9.650 58 HB3 ASN 24 HB2 ASN 24 -52.194 -3.175 9.378 59 HD21 ASN 24 HD21 ASN 24 -52.059 -2.086 7.557 60 HD22 ASN 24 HD22 ASN 24 -52.805 -2.516 6.059 61 H ASN 25 H ASN 25 -50.873 -4.811 7.640 62 HA ASN 25 HA ASN 25 -48.562 -4.838 9.380 63 HB2 ASN 25 HB1 ASN 25 -49.034 -6.961 7.284 64 HB3 ASN 25 HB2 ASN 25 -47.415 -6.553 7.866 65 HD21 ASN 25 HD21 ASN 25 -50.286 -8.260 8.496 66 HD22 ASN 25 HD22 ASN 25 -49.843 -8.903 10.038 67 H ILE 26 H ILE 26 -47.596 -3.017 8.776 68 HA ILE 26 HA ILE 26 -47.920 -1.704 6.339 69 HB ILE 26 HB ILE 26 -47.063 -0.644 8.419 70 HG12 ILE 26 HG11 ILE 26 -44.884 0.080 6.643 71 HG13 ILE 26 HG12 ILE 26 -46.407 -0.100 5.754 72 HG21 ILE 26 HG21 ILE 26 -45.032 -1.084 9.333 73 HG22 ILE 26 HG22 ILE 26 -45.328 -2.657 8.596 74 HG23 ILE 26 HG23 ILE 26 -44.295 -1.482 7.782 75 HD11 ILE 26 HD11 ILE 26 -45.577 1.972 7.632 76 HD12 ILE 26 HD12 ILE 26 -46.773 2.018 6.336 77 HD13 ILE 26 HD13 ILE 26 -47.205 1.354 7.911 78 H ARG 27 H ARG 27 -46.847 -1.709 4.426 79 HA ARG 27 HA ARG 27 -45.042 -3.948 3.950 80 HB2 ARG 27 HB1 ARG 27 -45.446 -3.620 1.624 81 HB3 ARG 27 HB2 ARG 27 -47.004 -3.477 2.451 82 HG2 ARG 27 HG1 ARG 27 -46.501 -0.929 2.447 83 HG3 ARG 27 HG2 ARG 27 -45.355 -1.348 1.163 84 HD2 ARG 27 HD1 ARG 27 -47.151 -2.394 -0.130 85 HD3 ARG 27 HD2 ARG 27 -48.298 -2.011 1.162 86 HE ARG 27 HE ARG 27 -47.205 0.400 0.472 87 HH11 ARG 27 HH11 ARG 27 -48.889 -2.136 -1.218 88 HH12 ARG 27 HH12 ARG 27 -49.596 -1.067 -2.383 89 HH21 ARG 27 HH21 ARG 27 -48.130 1.816 -1.057 90 HH22 ARG 27 HH22 ARG 27 -49.163 1.181 -2.292 91 H SER 28 H SER 28 -43.052 -3.679 2.782 92 HA SER 28 HA SER 28 -40.996 -2.758 2.463 93 HB2 SER 28 HB1 SER 28 -41.981 0.040 2.419 94 HB3 SER 28 HB2 SER 28 -40.968 -0.829 1.252 95 HG SER 28 HG SER 28 -43.154 -0.277 0.532 96 H SER 29 H SER 29 -39.550 -0.796 3.301 97 HA SER 29 HA SER 29 -40.137 0.285 5.849 98 HB2 SER 29 HB1 SER 29 -39.616 -2.356 6.094 99 HB3 SER 29 HB2 SER 29 -37.968 -1.709 6.187 100 HG SER 29 HG SER 29 -39.034 -0.166 7.778 101 H ALA 30 H ALA 30 -38.373 1.522 6.727 102 HA ALA 30 HA ALA 30 -36.616 2.958 6.552 103 HB1 ALA 30 HB1 ALA 30 -35.532 0.569 6.239 104 HB2 ALA 30 HB2 ALA 30 -35.199 1.197 4.624 105 HB3 ALA 30 HB3 ALA 30 -34.588 2.046 6.044 106 H ASP 31 H ASP 31 -34.989 3.839 4.640 107 HA ASP 31 HA ASP 31 -36.211 4.098 2.076 108 HB2 ASP 31 HB1 ASP 31 -36.461 6.671 2.373 109 HB3 ASP 31 HB2 ASP 31 -37.751 5.609 2.953 110 HD2 ASP 31 HD ASP 31 -35.741 7.734 5.580 111 H LEU 32 H LEU 32 -34.097 5.787 4.390 112 HA LEU 32 HA LEU 32 -32.089 6.009 2.244 113 HB2 LEU 32 HB1 LEU 32 -33.238 8.014 3.905 114 HB3 LEU 32 HB2 LEU 32 -31.537 7.828 4.359 115 HG LEU 32 HG LEU 32 -31.731 7.957 1.508 116 HD11 LEU 32 HD11 LEU 32 -33.816 9.112 1.761 117 HD12 LEU 32 HD12 LEU 32 -32.570 10.286 1.341 118 HD13 LEU 32 HD13 LEU 32 -33.137 10.161 3.006 119 HD21 LEU 32 HD21 LEU 32 -30.614 9.903 3.523 120 HD22 LEU 32 HD22 LEU 32 -30.209 9.820 1.808 121 HD23 LEU 32 HD23 LEU 32 -29.766 8.495 2.886 122 H HIS 33 H HIS 33 -29.829 6.492 3.405 123 HA HIS 33 HA HIS 33 -29.336 5.140 5.856 124 HB2 HIS 33 HB1 HIS 33 -29.788 3.199 4.353 125 HB3 HIS 33 HB2 HIS 33 -28.419 3.701 3.359 126 HD1 HIS 33 HD1 HIS 33 -26.237 2.686 3.936 127 HD2 HIS 33 HD2 HIS 33 -28.880 2.605 7.141 128 HE1 HIS 33 HE1 HIS 33 -25.053 1.410 5.751 129 HE2 HIS 33 HE2 HIS 33 -26.668 1.360 7.710 130 H GLY 34 H GLY 34 -27.519 5.373 2.792 131 HA2 GLY 34 HA2 GLY 34 -26.065 7.615 3.107 132 HA3 GLY 34 HA3 GLY 34 -25.258 6.507 4.207 133 HA1 GLY 34 HA1 GLY 34 -26.443 7.065 2.531 134 H ALA 35 H ALA 35 -24.266 7.792 1.759 135 HA ALA 35 HA ALA 35 -23.723 5.389 0.140 136 HB1 ALA 35 HB1 ALA 35 -24.211 6.597 -1.653 137 HB2 ALA 35 HB2 ALA 35 -24.559 7.990 -0.628 138 HB3 ALA 35 HB3 ALA 35 -22.926 7.734 -1.245 139 H ARG 36 H ARG 36 -22.316 8.150 1.790 140 HA ARG 36 HA ARG 36 -19.739 6.788 1.808 141 HB2 ARG 36 HB1 ARG 36 -20.323 9.313 0.379 142 HB3 ARG 36 HB2 ARG 36 -18.860 9.315 1.377 143 HG2 ARG 36 HG1 ARG 36 -19.131 6.931 -0.302 144 HG3 ARG 36 HG2 ARG 36 -19.009 8.450 -1.206 145 HD2 ARG 36 HD1 ARG 36 -16.792 7.530 -0.862 146 HD3 ARG 36 HD2 ARG 36 -16.980 9.023 0.069 147 HE ARG 36 HE ARG 36 -16.693 7.819 1.990 148 HH11 ARG 36 HH11 ARG 36 -17.480 5.637 -0.606 149 HH12 ARG 36 HH12 ARG 36 -17.198 4.209 0.333 150 HH21 ARG 36 HH21 ARG 36 -16.319 5.947 3.238 151 HH22 ARG 36 HH22 ARG 36 -16.540 4.386 2.520 152 H LYS 37 H LYS 37 -18.311 7.536 3.461 153 HA LYS 37 HA LYS 37 -19.393 9.435 5.394 154 HB2 LYS 37 HB1 LYS 37 -19.572 6.619 5.735 155 HB3 LYS 37 HB2 LYS 37 -18.353 7.221 6.872 156 HG2 LYS 37 HG1 LYS 37 -19.871 8.206 8.182 157 HG3 LYS 37 HG2 LYS 37 -20.779 8.842 6.798 158 HD2 LYS 37 HD1 LYS 37 -21.516 6.357 6.472 159 HD3 LYS 37 HD2 LYS 37 -21.028 6.193 8.168 160 HE2 LYS 37 HE1 LYS 37 -23.109 6.880 8.661 161 HE3 LYS 37 HE2 LYS 37 -22.520 8.488 8.218 162 HZ1 LYS 37 HZ1 LYS 37 -24.477 8.158 6.994 163 HZ2 LYS 37 HZ2 LYS 37 -24.042 6.589 6.534 164 HZ3 LYS 37 HZ3 LYS 37 -23.225 7.918 5.881 165 H GLY 38 H GLY 38 -17.725 10.852 5.130 166 HA2 GLY 38 HA2 GLY 38 -15.520 10.962 6.559 167 HA3 GLY 38 HA3 GLY 38 -14.980 9.855 5.306 168 HA1 GLY 38 HA1 GLY 38 -16.154 11.415 6.147 169 H SER 39 H SER 39 -13.421 11.222 4.477 170 HA SER 39 HA SER 39 -14.446 13.656 3.166 171 HB2 SER 39 HB1 SER 39 -12.404 13.463 5.067 172 HB3 SER 39 HB2 SER 39 -11.560 13.625 3.517 173 HG SER 39 HG SER 39 -12.341 15.592 3.264 174 H GLN 40 H GLN 40 -11.792 11.282 2.939 175 HA GLN 40 HA GLN 40 -12.311 11.042 0.075 176 HB2 GLN 40 HB1 GLN 40 -9.603 11.698 1.257 177 HB3 GLN 40 HB2 GLN 40 -9.884 11.229 -0.426 178 HG2 GLN 40 HG1 GLN 40 -11.033 13.674 0.920 179 HG3 GLN 40 HG2 GLN 40 -9.630 13.649 -0.159 180 HE21 GLN 40 HE21 GLN 40 -11.882 15.205 -0.638 181 HE22 GLN 40 HE22 GLN 40 -12.670 14.622 -2.060 182 H CYS 41 H CYS 41 -9.809 9.977 2.386 183 HA CYS 41 HA CYS 41 -10.693 7.215 2.052 184 HB2 CYS 41 HB1 CYS 41 -8.527 6.380 1.448 185 HB3 CYS 41 HB2 CYS 41 -8.958 7.653 0.305 186 H LEU 42 H LEU 42 -10.298 5.926 3.807 187 HA LEU 42 HA LEU 42 -9.630 7.264 6.257 188 HB2 LEU 42 HB1 LEU 42 -11.148 5.044 5.533 189 HB3 LEU 42 HB2 LEU 42 -9.775 4.375 6.432 190 HG LEU 42 HG LEU 42 -10.627 6.471 8.024 191 HD11 LEU 42 HD11 LEU 42 -12.672 6.358 6.394 192 HD12 LEU 42 HD12 LEU 42 -12.915 6.543 8.130 193 HD13 LEU 42 HD13 LEU 42 -13.112 4.961 7.377 194 HD21 LEU 42 HD21 LEU 42 -11.857 4.265 9.084 195 HD22 LEU 42 HD22 LEU 42 -10.166 4.706 9.317 196 HD23 LEU 42 HD23 LEU 42 -10.610 3.552 8.059 197 H SER 43 H SER 43 -7.994 5.210 3.992 198 HA SER 43 HA SER 43 -5.468 5.703 5.233 199 HB2 SER 43 HB1 SER 43 -6.594 3.726 6.524 200 HB3 SER 43 HB2 SER 43 -6.158 2.784 5.089 201 HG SER 43 HG SER 43 -4.458 2.641 6.507 202 H ASP 44 H ASP 44 -3.681 4.547 4.037 203 HA ASP 44 HA ASP 44 -3.910 5.010 1.289 204 HB2 ASP 44 HB1 ASP 44 -1.700 4.209 1.084 205 HB3 ASP 44 HB2 ASP 44 -1.788 4.903 2.709 206 HD2 ASP 44 HD ASP 44 -1.913 1.537 4.030 207 H THR 45 H THR 45 -4.611 2.203 3.192 208 HA THR 45 HA THR 45 -4.576 0.335 1.016 209 HB THR 45 HB THR 45 -6.250 -0.625 3.106 210 HG1 THR 45 HG1 THR 45 -5.189 -0.088 4.915 211 HG21 THR 45 HG21 THR 45 -4.812 -2.039 1.782 212 HG22 THR 45 HG22 THR 45 -4.331 -2.168 3.474 213 HG23 THR 45 HG23 THR 45 -3.380 -1.189 2.359 214 H ASP 46 H ASP 46 -6.881 2.543 2.353 215 HA ASP 46 HA ASP 46 -9.243 1.306 1.384 216 HB2 ASP 46 HB1 ASP 46 -8.635 4.182 2.111 217 HB3 ASP 46 HB2 ASP 46 -10.250 3.586 1.703 218 HD2 ASP 46 HD ASP 46 -10.732 2.391 4.866 219 H CYS 47 H CYS 47 -6.825 3.328 -0.067 220 HA CYS 47 HA CYS 47 -8.169 4.449 -2.201 221 HB2 CYS 47 HB1 CYS 47 -5.455 3.985 -1.456 222 HB3 CYS 47 HB2 CYS 47 -5.640 3.517 -3.146 223 H ASN 48 H ASN 48 -6.699 1.221 -1.998 224 HA ASN 48 HA ASN 48 -8.646 0.020 -3.642 225 HB2 ASN 48 HB1 ASN 48 -6.382 1.251 -5.009 226 HB3 ASN 48 HB2 ASN 48 -6.498 -0.482 -5.342 227 HD21 ASN 48 HD21 ASN 48 -7.155 2.177 -6.786 228 HD22 ASN 48 HD22 ASN 48 -8.690 1.849 -7.508 229 H THR 49 H THR 49 -5.124 -0.476 -3.559 230 HA THR 49 HA THR 49 -5.209 -2.509 -1.578 231 HB THR 49 HB THR 49 -4.270 -4.062 -3.728 232 HG1 THR 49 HG1 THR 49 -5.418 -3.280 -5.338 233 HG21 THR 49 HG21 THR 49 -6.199 -5.498 -3.156 234 HG22 THR 49 HG22 THR 49 -6.859 -4.186 -2.177 235 HG23 THR 49 HG23 THR 49 -5.328 -4.939 -1.727 236 H ARG 50 H ARG 50 -3.385 -2.076 -4.616 237 HA ARG 50 HA ARG 50 -0.916 -1.998 -3.033 238 HB2 ARG 50 HB1 ARG 50 -1.198 -2.316 -6.027 239 HB3 ARG 50 HB2 ARG 50 0.254 -2.585 -5.052 240 HG2 ARG 50 HG1 ARG 50 -0.287 -4.721 -4.845 241 HG3 ARG 50 HG2 ARG 50 -1.763 -4.245 -3.992 242 HD2 ARG 50 HD1 ARG 50 -3.091 -4.476 -5.840 243 HD3 ARG 50 HD2 ARG 50 -1.784 -4.039 -6.948 244 HE ARG 50 HE ARG 50 -2.448 -6.679 -6.005 245 HH11 ARG 50 HH11 ARG 50 0.015 -4.646 -7.390 246 HH12 ARG 50 HH12 ARG 50 0.900 -5.965 -8.082 247 HH21 ARG 50 HH21 ARG 50 -1.293 -8.424 -6.911 248 HH22 ARG 50 HH22 ARG 50 0.154 -8.116 -7.810 249 H LYS 51 H LYS 51 -2.806 0.264 -3.393 250 HA LYS 51 HA LYS 51 -0.890 2.176 -4.551 251 HB2 LYS 51 HB1 LYS 51 -3.833 1.901 -5.001 252 HB3 LYS 51 HB2 LYS 51 -3.129 3.526 -4.984 253 HG2 LYS 51 HG1 LYS 51 -2.946 3.093 -7.203 254 HG3 LYS 51 HG2 LYS 51 -1.411 2.396 -6.656 255 HD2 LYS 51 HD1 LYS 51 -2.056 0.274 -7.093 256 HD3 LYS 51 HD2 LYS 51 -3.720 0.570 -6.560 257 HE2 LYS 51 HE1 LYS 51 -4.351 1.494 -8.635 258 HE3 LYS 51 HE2 LYS 51 -2.666 1.707 -9.133 259 HZ1 LYS 51 HZ1 LYS 51 -4.361 -0.546 -9.476 260 HZ2 LYS 51 HZ2 LYS 51 -2.950 -0.989 -8.656 261 HZ3 LYS 51 HZ3 LYS 51 -2.848 -0.231 -10.165 262 H PHE 52 H PHE 52 -1.101 4.381 -3.691 263 HA PHE 52 HA PHE 52 -2.010 4.343 -0.888 264 HB2 PHE 52 HB1 PHE 52 -0.269 6.056 -0.454 265 HB3 PHE 52 HB2 PHE 52 0.402 4.519 -1.004 266 HD1 PHE 52 HD1 PHE 52 1.276 4.274 -3.293 267 HD2 PHE 52 HD2 PHE 52 -0.006 8.035 -1.769 268 HE1 PHE 52 HE1 PHE 52 2.483 5.416 -5.108 269 HE2 PHE 52 HE2 PHE 52 1.198 9.184 -3.581 270 HZ PHE 52 HZ PHE 52 2.444 7.875 -5.254 271 H CYS 53 H CYS 53 -2.426 6.626 -0.035 272 HA CYS 53 HA CYS 53 -4.282 7.910 -1.878 273 HB2 CYS 53 HB1 CYS 53 -4.411 7.322 0.813 274 HB3 CYS 53 HB2 CYS 53 -4.049 9.048 0.812 275 H LEU 54 H LEU 54 -3.414 9.395 -3.177 276 HA LEU 54 HA LEU 54 -1.285 11.130 -2.158 277 HB2 LEU 54 HB1 LEU 54 -0.887 9.938 -4.271 278 HB3 LEU 54 HB2 LEU 54 -2.303 10.744 -4.969 279 HG LEU 54 HG LEU 54 -1.032 12.936 -4.451 280 HD11 LEU 54 HD11 LEU 54 1.290 11.017 -4.515 281 HD12 LEU 54 HD12 LEU 54 0.697 11.823 -3.063 282 HD13 LEU 54 HD13 LEU 54 1.360 12.776 -4.391 283 HD21 LEU 54 HD21 LEU 54 -1.347 11.453 -6.686 284 HD22 LEU 54 HD22 LEU 54 0.413 11.503 -6.580 285 HD23 LEU 54 HD23 LEU 54 -0.511 13.005 -6.641 286 H GLN 55 H GLN 55 -1.580 13.244 -1.784 287 HA GLN 55 HA GLN 55 -3.963 14.568 -2.854 288 HB2 GLN 55 HB1 GLN 55 -3.151 14.842 0.043 289 HB3 GLN 55 HB2 GLN 55 -4.616 15.456 -0.737 290 HG2 GLN 55 HG1 GLN 55 -5.210 13.019 -1.199 291 HG3 GLN 55 HG2 GLN 55 -3.930 12.622 -0.044 292 HE21 GLN 55 HE21 GLN 55 -5.759 11.624 1.095 293 HE22 GLN 55 HE22 GLN 55 -6.693 12.604 2.166 294 HA PRO 56 HA PRO 56 -0.267 17.204 -3.465 295 HB2 PRO 56 HB1 PRO 56 -1.147 18.256 -5.836 296 HB3 PRO 56 HB2 PRO 56 -0.312 16.708 -5.708 297 HG2 PRO 56 HG1 PRO 56 -3.254 17.273 -5.869 298 HG3 PRO 56 HG2 PRO 56 -2.279 16.037 -6.749 299 HD2 PRO 56 HD1 PRO 56 -3.808 15.432 -4.587 300 HD3 PRO 56 HD2 PRO 56 -2.279 14.607 -4.941 301 H ARG 57 H ARG 57 -0.029 19.453 -3.304 302 HA ARG 57 HA ARG 57 -2.275 20.803 -2.084 303 HB2 ARG 57 HB1 ARG 57 0.251 20.884 -1.413 304 HB3 ARG 57 HB2 ARG 57 0.347 22.129 -2.668 305 HG2 ARG 57 HG1 ARG 57 -1.847 22.924 -1.215 306 HG3 ARG 57 HG2 ARG 57 -0.757 22.272 0.021 307 HD2 ARG 57 HD1 ARG 57 0.970 23.779 -0.531 308 HD3 ARG 57 HD2 ARG 57 0.210 24.194 -2.072 309 HE ARG 57 HE ARG 57 -1.612 24.985 -0.211 310 HH11 ARG 57 HH11 ARG 57 1.764 25.634 -0.759 311 HH12 ARG 57 HH12 ARG 57 1.703 27.227 -0.080 312 HH21 ARG 57 HH21 ARG 57 -1.706 27.081 0.685 313 HH22 ARG 57 HH22 ARG 57 -0.272 28.048 0.743 314 H ASP 58 H ASP 58 -0.597 20.809 -5.127 315 HA ASP 58 HA ASP 58 -1.866 23.273 -6.005 316 HB2 ASP 58 HB1 ASP 58 0.040 21.349 -7.353 317 HB3 ASP 58 HB2 ASP 58 -0.653 22.759 -8.165 318 HD2 ASP 58 HD ASP 58 2.339 23.299 -5.695 319 H GLU 59 H GLU 59 -2.363 19.867 -6.177 320 HA GLU 59 HA GLU 59 -4.580 20.300 -8.071 321 HB2 GLU 59 HB1 GLU 59 -2.409 18.356 -8.088 322 HB3 GLU 59 HB2 GLU 59 -4.001 17.584 -8.155 323 HG2 GLU 59 HG1 GLU 59 -3.266 19.845 -9.994 324 HG3 GLU 59 HG2 GLU 59 -2.863 18.162 -10.362 325 HE2 GLU 59 HE GLU 59 -6.665 17.966 -10.061 326 H LYS 60 H LYS 60 -6.114 18.231 -7.877 327 HA LYS 60 HA LYS 60 -7.092 18.309 -5.148 328 HB2 LYS 60 HB1 LYS 60 -8.187 17.699 -7.802 329 HB3 LYS 60 HB2 LYS 60 -8.780 16.628 -6.521 330 HG2 LYS 60 HG1 LYS 60 -10.052 18.219 -5.599 331 HG3 LYS 60 HG2 LYS 60 -8.796 19.456 -5.789 332 HD2 LYS 60 HD1 LYS 60 -9.393 19.384 -8.304 333 HD3 LYS 60 HD2 LYS 60 -10.869 18.564 -7.767 334 HE2 LYS 60 HE1 LYS 60 -10.206 21.003 -6.253 335 HE3 LYS 60 HE2 LYS 60 -10.575 21.263 -7.964 336 HZ1 LYS 60 HZ1 LYS 60 -12.653 20.014 -7.635 337 HZ2 LYS 60 HZ2 LYS 60 -12.580 21.411 -6.683 338 HZ3 LYS 60 HZ3 LYS 60 -12.312 19.895 -5.981 339 HA PRO 61 HA PRO 61 -5.720 14.364 -3.806 340 HB2 PRO 61 HB1 PRO 61 -7.881 13.427 -2.407 341 HB3 PRO 61 HB2 PRO 61 -6.852 14.742 -1.841 342 HG2 PRO 61 HG1 PRO 61 -9.484 14.869 -3.274 343 HG3 PRO 61 HG2 PRO 61 -8.922 15.799 -1.834 344 HD2 PRO 61 HD1 PRO 61 -8.955 16.852 -4.337 345 HD3 PRO 61 HD2 PRO 61 -7.727 17.279 -3.133 346 H PHE 62 H PHE 62 -5.535 12.367 -4.639 347 HA PHE 62 HA PHE 62 -7.753 10.884 -5.660 348 HB2 PHE 62 HB1 PHE 62 -7.203 10.819 -7.978 349 HB3 PHE 62 HB2 PHE 62 -7.278 12.521 -7.518 350 HD1 PHE 62 HD1 PHE 62 -4.959 13.532 -6.704 351 HD2 PHE 62 HD2 PHE 62 -5.408 10.161 -9.264 352 HE1 PHE 62 HE1 PHE 62 -2.686 13.894 -7.574 353 HE2 PHE 62 HE2 PHE 62 -3.135 10.518 -10.137 354 HZ PHE 62 HZ PHE 62 -1.771 12.386 -9.291 355 H CYS 63 H CYS 63 -7.136 8.742 -6.399 356 HA CYS 63 HA CYS 63 -4.939 7.706 -4.873 357 HB2 CYS 63 HB1 CYS 63 -6.975 6.459 -6.719 358 HB3 CYS 63 HB2 CYS 63 -5.667 5.517 -5.998 359 H ALA 64 H ALA 64 -2.908 7.543 -5.528 360 HA ALA 64 HA ALA 64 -2.340 7.634 -8.412 361 HB1 ALA 64 HB1 ALA 64 -0.556 8.295 -6.071 362 HB2 ALA 64 HB2 ALA 64 -0.090 8.382 -7.771 363 HB3 ALA 64 HB3 ALA 64 -1.347 9.450 -7.146 364 H THR 65 H THR 65 -0.643 6.292 -9.258 365 HA THR 65 HA THR 65 -0.773 3.613 -8.263 366 HB THR 65 HB THR 65 1.057 3.292 -10.113 367 HG1 THR 65 HG1 THR 65 -0.081 5.674 -11.114 368 HG21 THR 65 HG21 THR 65 -1.856 3.850 -10.389 369 HG22 THR 65 HG22 THR 65 -0.962 2.356 -10.666 370 HG23 THR 65 HG23 THR 65 -0.900 3.654 -11.857 371 H CYS 66 H CYS 66 1.293 2.296 -8.062 372 HA CYS 66 HA CYS 66 2.813 3.302 -5.905 373 HB2 CYS 66 HB1 CYS 66 2.415 0.925 -6.144 374 HB3 CYS 66 HB2 CYS 66 3.262 0.905 -7.692 375 H ARG 67 H ARG 67 4.779 4.246 -5.796 376 HA ARG 67 HA ARG 67 5.888 5.295 -8.253 377 HB2 ARG 67 HB1 ARG 67 6.772 5.663 -5.379 378 HB3 ARG 67 HB2 ARG 67 7.382 6.569 -6.772 379 HG2 ARG 67 HG1 ARG 67 4.560 6.616 -5.701 380 HG3 ARG 67 HG2 ARG 67 5.774 7.899 -5.563 381 HD2 ARG 67 HD1 ARG 67 5.842 7.843 -8.141 382 HD3 ARG 67 HD2 ARG 67 4.325 6.944 -8.010 383 HE ARG 67 HE ARG 67 4.290 9.373 -6.498 384 HH11 ARG 67 HH11 ARG 67 3.882 8.015 -9.678 385 HH12 ARG 67 HH12 ARG 67 2.851 9.293 -10.233 386 HH21 ARG 67 HH21 ARG 67 2.934 11.060 -7.217 387 HH22 ARG 67 HH22 ARG 67 2.313 11.025 -8.833 388 H GLY 68 H GLY 68 7.946 4.908 -9.059 389 HA2 GLY 68 HA2 GLY 68 9.125 2.370 -8.174 390 HA3 GLY 68 HA3 GLY 68 9.378 3.131 -9.737 391 HA1 GLY 68 HA1 GLY 68 9.109 3.063 -7.629 392 H LEU 69 H LEU 69 11.625 2.366 -8.831 393 HA LEU 69 HA LEU 69 12.911 3.945 -6.877 394 HB2 LEU 69 HB1 LEU 69 14.048 2.360 -9.186 395 HB3 LEU 69 HB2 LEU 69 15.005 3.063 -7.871 396 HG LEU 69 HG LEU 69 12.970 0.849 -7.642 397 HD11 LEU 69 HD11 LEU 69 14.719 -0.440 -8.107 398 HD12 LEU 69 HD12 LEU 69 15.419 0.081 -6.575 399 HD13 LEU 69 HD13 LEU 69 15.825 0.933 -8.065 400 HD21 LEU 69 HD21 LEU 69 14.509 2.341 -5.527 401 HD22 LEU 69 HD22 LEU 69 13.753 0.770 -5.259 402 HD23 LEU 69 HD23 LEU 69 12.760 2.169 -5.675 403 H ARG 70 H ARG 70 12.261 4.433 -10.249 404 HA ARG 70 HA ARG 70 14.120 6.673 -10.422 405 HB2 ARG 70 HB1 ARG 70 12.203 5.638 -12.523 406 HB3 ARG 70 HB2 ARG 70 13.564 6.743 -12.771 407 HG2 ARG 70 HG1 ARG 70 14.815 4.596 -11.642 408 HG3 ARG 70 HG2 ARG 70 13.527 3.826 -12.584 409 HD2 ARG 70 HD1 ARG 70 15.198 5.980 -13.835 410 HD3 ARG 70 HD2 ARG 70 15.831 4.334 -13.696 411 HE ARG 70 HE ARG 70 13.313 4.099 -14.811 412 HH11 ARG 70 HH11 ARG 70 16.342 5.613 -15.619 413 HH12 ARG 70 HH12 ARG 70 16.105 5.473 -17.329 414 HH21 ARG 70 HH21 ARG 70 12.989 3.908 -17.061 415 HH22 ARG 70 HH22 ARG 70 14.197 4.504 -18.149 416 H ARG 71 H ARG 71 11.390 6.434 -8.910 417 HA ARG 71 HA ARG 71 10.170 8.875 -10.012 418 HB2 ARG 71 HB1 ARG 71 9.086 6.531 -8.500 419 HB3 ARG 71 HB2 ARG 71 8.279 8.098 -8.347 420 HG2 ARG 71 HG1 ARG 71 8.808 6.695 -10.967 421 HG3 ARG 71 HG2 ARG 71 7.280 6.644 -10.073 422 HD2 ARG 71 HD1 ARG 71 7.517 9.276 -10.164 423 HD3 ARG 71 HD2 ARG 71 8.535 8.897 -11.561 424 HE ARG 71 HE ARG 71 6.171 7.464 -11.856 425 HH11 ARG 71 HH11 ARG 71 7.207 10.785 -11.734 426 HH12 ARG 71 HH12 ARG 71 5.931 11.358 -12.757 427 HH21 ARG 71 HH21 ARG 71 4.486 8.205 -13.204 428 HH22 ARG 71 HH22 ARG 71 4.383 9.888 -13.592 429 H ARG 72 H ARG 72 9.777 10.641 -8.708 430 HA ARG 72 HA ARG 72 11.511 10.923 -6.435 431 HB2 ARG 72 HB1 ARG 72 9.456 12.828 -7.585 432 HB3 ARG 72 HB2 ARG 72 10.674 13.237 -6.367 433 HG2 ARG 72 HG1 ARG 72 12.108 12.108 -8.492 434 HG3 ARG 72 HG2 ARG 72 10.907 13.183 -9.228 435 HD2 ARG 72 HD1 ARG 72 12.880 13.930 -7.056 436 HD3 ARG 72 HD2 ARG 72 12.973 14.386 -8.763 437 HE ARG 72 HE ARG 72 10.524 15.289 -7.868 438 HH11 ARG 72 HH11 ARG 72 13.875 15.820 -7.090 439 HH12 ARG 72 HH12 ARG 72 13.629 17.451 -6.560 440 HH21 ARG 72 HH21 ARG 72 10.187 17.436 -7.173 441 HH22 ARG 72 HH22 ARG 72 11.531 18.369 -6.607 442 H CYS 73 H CYS 73 10.795 11.688 -4.332 443 HA CYS 73 HA CYS 73 8.030 11.088 -3.617 444 HB2 CYS 73 HB1 CYS 73 8.583 9.565 -1.863 445 HB3 CYS 73 HB2 CYS 73 9.372 8.982 -3.330 446 H GLN 74 H GLN 74 7.404 11.935 -1.550 447 HA GLN 74 HA GLN 74 9.206 14.056 -0.582 448 HB2 GLN 74 HB1 GLN 74 6.679 14.338 -1.722 449 HB3 GLN 74 HB2 GLN 74 6.398 14.497 0.020 450 HG2 GLN 74 HG1 GLN 74 7.807 16.358 0.210 451 HG3 GLN 74 HG2 GLN 74 8.551 16.051 -1.367 452 HE21 GLN 74 HE21 GLN 74 6.132 17.704 0.305 453 HE22 GLN 74 HE22 GLN 74 5.299 18.370 -1.055 454 H ARG 75 H ARG 75 6.945 11.525 0.258 455 HA ARG 75 HA ARG 75 7.718 11.844 3.084 456 HB2 ARG 75 HB1 ARG 75 5.171 12.024 2.063 457 HB3 ARG 75 HB2 ARG 75 5.257 10.333 2.578 458 HG2 ARG 75 HG1 ARG 75 5.862 10.999 4.830 459 HG3 ARG 75 HG2 ARG 75 5.876 12.699 4.334 460 HD2 ARG 75 HD1 ARG 75 3.373 11.640 3.539 461 HD3 ARG 75 HD2 ARG 75 3.672 11.092 5.195 462 HE ARG 75 HE ARG 75 4.281 13.791 5.142 463 HH11 ARG 75 HH11 ARG 75 1.497 11.771 4.605 464 HH12 ARG 75 HH12 ARG 75 0.362 12.974 5.123 465 HH21 ARG 75 HH21 ARG 75 2.797 15.383 5.825 466 HH22 ARG 75 HH22 ARG 75 1.102 15.029 5.815 467 H ASP 76 H ASP 76 7.963 9.907 4.317 468 HA ASP 76 HA ASP 76 9.345 7.858 2.955 469 HB2 ASP 76 HB1 ASP 76 9.172 6.658 5.207 470 HB3 ASP 76 HB2 ASP 76 9.979 8.232 5.197 471 HD2 ASP 76 HD ASP 76 7.445 9.711 7.069 472 H ALA 77 H ALA 77 6.094 8.004 4.356 473 HA ALA 77 HA ALA 77 5.445 5.305 3.658 474 HB1 ALA 77 HB1 ALA 77 3.296 7.292 4.149 475 HB2 ALA 77 HB2 ALA 77 3.475 5.642 4.749 476 HB3 ALA 77 HB3 ALA 77 4.418 6.949 5.465 477 H MET 78 H MET 78 5.255 8.384 2.073 478 HA MET 78 HA MET 78 3.253 7.977 0.210 479 HB2 MET 78 HB1 MET 78 5.646 9.668 0.423 480 HB3 MET 78 HB2 MET 78 5.143 9.339 -1.242 481 HG2 MET 78 HG1 MET 78 2.952 10.102 0.563 482 HG3 MET 78 HG2 MET 78 4.178 11.347 0.306 483 HE1 MET 78 HE1 MET 78 4.097 11.978 -3.494 484 HE2 MET 78 HE2 MET 78 4.924 12.235 -1.958 485 HE3 MET 78 HE3 MET 78 5.101 10.700 -2.808 486 H CYS 79 H CYS 79 6.620 6.905 0.130 487 HA CYS 79 HA CYS 79 6.324 5.702 -2.481 488 HB2 CYS 79 HB1 CYS 79 8.493 6.404 -0.715 489 HB3 CYS 79 HB2 CYS 79 8.663 4.727 -1.237 490 H CYS 80 H CYS 80 6.399 3.484 -2.938 491 HA CYS 80 HA CYS 80 4.858 1.824 -1.325 492 HB2 CYS 80 HB1 CYS 80 6.649 1.409 -3.676 493 HB3 CYS 80 HB2 CYS 80 6.125 -0.018 -2.778 494 HA PRO 81 HA PRO 81 7.499 0.089 1.718 495 HB2 PRO 81 HB1 PRO 81 6.679 -2.522 1.797 496 HB3 PRO 81 HB2 PRO 81 5.713 -1.180 2.410 497 HG2 PRO 81 HG1 PRO 81 5.563 -2.578 -0.241 498 HG3 PRO 81 HG2 PRO 81 4.228 -2.099 0.874 499 HD2 PRO 81 HD1 PRO 81 4.864 -0.675 -1.350 500 HD3 PRO 81 HD2 PRO 81 4.263 0.084 0.134 501 H GLY 82 H GLY 82 9.295 -1.305 2.108 502 HA2 GLY 82 HA2 GLY 82 10.938 -2.878 1.486 503 HA3 GLY 82 HA3 GLY 82 10.297 -2.866 -0.151 504 HA1 GLY 82 HA1 GLY 82 10.896 -2.024 1.707 505 H THR 83 H THR 83 10.313 0.193 0.075 506 HA THR 83 HA THR 83 13.198 0.535 -0.440 507 HB THR 83 HB THR 83 12.270 2.509 -1.929 508 HG1 THR 83 HG1 THR 83 10.162 0.605 -2.131 509 HG21 THR 83 HG21 THR 83 13.445 1.139 -3.267 510 HG22 THR 83 HG22 THR 83 11.877 0.464 -3.709 511 HG23 THR 83 HG23 THR 83 12.850 -0.310 -2.459 512 H LEU 84 H LEU 84 13.853 2.910 -0.328 513 HA LEU 84 HA LEU 84 12.433 4.260 1.871 514 HB2 LEU 84 HB1 LEU 84 14.758 3.031 2.278 515 HB3 LEU 84 HB2 LEU 84 15.379 4.557 1.627 516 HG LEU 84 HG LEU 84 13.915 5.669 3.445 517 HD11 LEU 84 HD11 LEU 84 13.710 4.222 5.473 518 HD12 LEU 84 HD12 LEU 84 14.067 2.833 4.445 519 HD13 LEU 84 HD13 LEU 84 12.621 3.799 4.153 520 HD21 LEU 84 HD21 LEU 84 15.936 6.074 4.260 521 HD22 LEU 84 HD22 LEU 84 16.577 4.677 3.394 522 HD23 LEU 84 HD23 LEU 84 15.946 4.488 5.031 523 H CYS 85 H CYS 85 12.903 6.594 2.017 524 HA CYS 85 HA CYS 85 12.947 7.757 -0.652 525 HB2 CYS 85 HB1 CYS 85 11.937 8.551 2.015 526 HB3 CYS 85 HB2 CYS 85 12.553 9.868 1.014 527 H VAL 86 H VAL 86 15.018 7.904 -1.353 528 HA VAL 86 HA VAL 86 16.945 9.304 0.384 529 HB VAL 86 HB VAL 86 17.525 7.498 -1.969 530 HG11 VAL 86 HG11 VAL 86 19.791 7.802 -0.361 531 HG12 VAL 86 HG12 VAL 86 19.527 8.466 -1.975 532 HG13 VAL 86 HG13 VAL 86 19.126 9.424 -0.549 533 HG21 VAL 86 HG21 VAL 86 18.336 5.902 -0.315 534 HG22 VAL 86 HG22 VAL 86 17.868 6.996 0.987 535 HG23 VAL 86 HG23 VAL 86 16.632 6.272 -0.043 536 H ASN 87 H ASN 87 17.595 11.270 -0.196 537 HA ASN 87 HA ASN 87 17.775 13.218 -1.361 538 HB2 ASN 87 HB1 ASN 87 18.449 11.134 -3.429 539 HB3 ASN 87 HB2 ASN 87 18.446 12.854 -3.842 540 HD21 ASN 87 HD21 ASN 87 20.062 14.163 -3.135 541 HD22 ASN 87 HD22 ASN 87 21.457 13.591 -2.292 542 H ASP 88 H ASP 88 15.158 12.442 -0.972 543 HA ASP 88 HA ASP 88 13.032 12.870 -1.660 544 HB2 ASP 88 HB1 ASP 88 14.672 14.731 -3.341 545 HB3 ASP 88 HB2 ASP 88 12.944 14.564 -3.681 546 HD2 ASP 88 HD ASP 88 12.143 16.606 -1.067 547 H VAL 89 H VAL 89 14.600 10.659 -2.871 548 HA VAL 89 HA VAL 89 12.779 10.136 -5.100 549 HB VAL 89 HB VAL 89 15.768 9.739 -5.283 550 HG11 VAL 89 HG11 VAL 89 15.002 9.212 -7.736 551 HG12 VAL 89 HG12 VAL 89 14.969 7.959 -6.494 552 HG13 VAL 89 HG13 VAL 89 13.482 8.795 -6.945 553 HG21 VAL 89 HG21 VAL 89 15.599 11.943 -5.812 554 HG22 VAL 89 HG22 VAL 89 15.186 11.267 -7.389 555 HG23 VAL 89 HG23 VAL 89 13.909 11.811 -6.300 556 H CYS 90 H CYS 90 12.200 8.007 -5.337 557 HA CYS 90 HA CYS 90 12.458 6.320 -3.088 558 HB2 CYS 90 HB1 CYS 90 10.856 6.427 -5.372 559 HB3 CYS 90 HB2 CYS 90 11.734 4.904 -5.521 560 H THR 91 H THR 91 14.128 5.119 -2.506 561 HA THR 91 HA THR 91 15.738 3.800 -4.571 562 HB THR 91 HB THR 91 16.941 5.320 -2.249 563 HG1 THR 91 HG1 THR 91 17.100 5.846 -5.047 564 HG21 THR 91 HG21 THR 91 18.189 3.291 -2.844 565 HG22 THR 91 HG22 THR 91 19.088 4.749 -3.265 566 HG23 THR 91 HG23 THR 91 18.260 3.830 -4.522 567 H THR 92 H THR 92 16.424 1.781 -4.046 568 HA THR 92 HA THR 92 15.138 0.359 -2.014 569 HB THR 92 HB THR 92 17.617 -0.932 -2.703 570 HG1 THR 92 HG1 THR 92 17.752 -0.571 -4.798 571 HG21 THR 92 HG21 THR 92 15.969 -2.446 -2.321 572 HG22 THR 92 HG22 THR 92 15.734 -2.283 -4.061 573 HG23 THR 92 HG23 THR 92 14.705 -1.387 -2.946 574 H MET 93 H MET 93 15.588 -0.047 0.068 575 HA MET 93 HA MET 93 17.480 1.493 1.466 576 HB2 MET 93 HB1 MET 93 15.287 0.032 2.161 577 HB3 MET 93 HB2 MET 93 16.593 -0.995 2.772 578 HG2 MET 93 HG1 MET 93 16.607 1.927 3.408 579 HG3 MET 93 HG2 MET 93 15.534 0.837 4.289 580 HE1 MET 93 HE1 MET 93 15.886 -0.368 5.946 581 HE2 MET 93 HE2 MET 93 17.340 -1.218 6.467 582 HE3 MET 93 HE3 MET 93 17.024 0.422 7.036 583 H GLU 94 H GLU 94 17.656 -1.655 -0.001 584 HA GLU 94 HA GLU 94 20.016 -2.497 1.385 585 HB2 GLU 94 HB1 GLU 94 18.746 -3.501 -1.174 586 HB3 GLU 94 HB2 GLU 94 20.085 -4.294 -0.327 587 HG2 GLU 94 HG1 GLU 94 17.710 -3.743 1.325 588 HG3 GLU 94 HG2 GLU 94 17.479 -4.911 0.017 589 HE2 GLU 94 HE GLU 94 19.082 -6.262 3.191 590 H ASP 95 H ASP 95 19.324 -0.747 -1.555 591 HA ASP 95 HA ASP 95 22.036 -0.905 -2.534 592 HB2 ASP 95 HB1 ASP 95 19.515 0.452 -3.446 593 HB3 ASP 95 HB2 ASP 95 21.074 0.929 -4.135 594 HD2 ASP 95 HD ASP 95 19.898 -2.794 -4.892 595 H ALA 96 H ALA 96 20.052 1.359 -0.742 596 HA ALA 96 HA ALA 96 21.673 3.637 -0.958 597 HB1 ALA 96 HB1 ALA 96 19.371 2.831 0.543 598 HB2 ALA 96 HB2 ALA 96 20.505 3.676 1.598 599 HB3 ALA 96 HB3 ALA 96 19.920 4.455 0.128 600 H THR 97 H THR 97 23.568 4.180 -0.086 601 HA THR 97 HA THR 97 24.473 3.122 2.426 602 HB THR 97 HB THR 97 26.653 2.517 0.713 603 HG1 THR 97 HG1 THR 97 25.806 1.317 -0.845 604 HG21 THR 97 HG21 THR 97 26.021 1.559 2.966 605 HG22 THR 97 HG22 THR 97 26.560 0.387 1.764 606 HG23 THR 97 HG23 THR 97 24.841 0.561 2.118 607 H GLU 98 H GLU 98 25.459 4.765 3.386 608 HA GLU 98 HA GLU 98 26.080 7.189 2.213 609 HB2 GLU 98 HB1 GLU 98 27.416 7.667 4.232 610 HB3 GLU 98 HB2 GLU 98 25.845 6.947 4.617 611 HG2 GLU 98 HG1 GLU 98 27.067 4.712 4.727 612 HG3 GLU 98 HG2 GLU 98 28.554 5.670 4.737 613 HE2 GLU 98 HE GLU 98 27.208 5.090 8.154 614 H ASN 99 H ASN 99 28.137 8.223 1.817 615 HA ASN 99 HA ASN 99 30.249 6.340 0.995 616 HB2 ASN 99 HB1 ASN 99 30.725 7.768 -0.938 617 HB3 ASN 99 HB2 ASN 99 29.055 7.189 -0.978 618 HD21 ASN 99 HD21 ASN 99 31.075 9.896 -1.009 619 HD22 ASN 99 HD22 ASN 99 29.852 11.115 -0.930 620 H LEU 100 H LEU 100 32.312 7.790 0.422 621 HA LEU 100 HA LEU 100 33.202 8.838 2.893 622 HB2 LEU 100 HB1 LEU 100 34.361 8.000 0.493 623 HB3 LEU 100 HB2 LEU 100 34.788 9.713 0.642 624 HG LEU 100 HG LEU 100 35.692 9.189 2.931 625 HD11 LEU 100 HD11 LEU 100 34.347 6.960 2.932 626 HD12 LEU 100 HD12 LEU 100 35.934 7.031 3.697 627 HD13 LEU 100 HD13 LEU 100 35.761 6.325 2.091 628 HD21 LEU 100 HD21 LEU 100 36.955 7.751 0.598 629 HD22 LEU 100 HD22 LEU 100 37.772 8.249 2.080 630 HD23 LEU 100 HD23 LEU 100 37.135 9.465 0.973 631 H TYR 101 H TYR 101 34.584 11.074 2.553 632 HA TYR 101 HA TYR 101 32.919 13.104 1.302 633 HB2 TYR 101 HB1 TYR 101 32.856 12.541 4.140 634 HB3 TYR 101 HB2 TYR 101 33.450 14.177 3.845 635 HD1 TYR 101 HD1 TYR 101 30.548 12.076 3.961 636 HD2 TYR 101 HD2 TYR 101 32.051 15.742 2.411 637 HE1 TYR 101 HE1 TYR 101 28.245 12.868 3.615 638 HE2 TYR 101 HE2 TYR 101 29.753 16.544 2.062 639 HH TYR 101 HH TYR 101 27.446 15.413 1.694 640 H PHE 102 H PHE 102 34.082 14.795 0.575 641 HA PHE 102 HA PHE 102 36.959 14.693 0.925 642 HB2 PHE 102 HB1 PHE 102 35.068 15.948 -0.980 643 HB3 PHE 102 HB2 PHE 102 36.558 16.843 -0.676 644 HD1 PHE 102 HD1 PHE 102 38.672 16.077 -1.463 645 HD2 PHE 102 HD2 PHE 102 35.186 13.688 -1.963 646 HE1 PHE 102 HE1 PHE 102 39.894 14.629 -3.033 647 HE2 PHE 102 HE2 PHE 102 36.402 12.235 -3.533 648 HZ PHE 102 HZ PHE 102 38.759 12.704 -4.069 649 H GLN 103 H GLN 103 38.233 16.508 1.558 650 HA GLN 103 HA GLN 103 37.027 18.002 3.717 651 HB2 GLN 103 HB1 GLN 103 39.248 18.672 4.299 652 HB3 GLN 103 HB2 GLN 103 39.298 16.955 3.871 653 HG2 GLN 103 HG1 GLN 103 41.097 17.582 2.676 654 HG3 GLN 103 HG2 GLN 103 39.867 18.020 1.481 655 HE21 GLN 103 HE21 GLN 103 40.027 19.974 0.666 656 HE22 GLN 103 HE22 GLN 103 40.783 21.336 1.414 657 H SER 104 H SER 104 37.279 20.325 3.945 658 HA SER 104 HA SER 104 37.441 21.755 1.379 659 HB2 SER 104 HB1 SER 104 35.296 21.971 3.500 660 HB3 SER 104 HB2 SER 104 35.583 23.252 2.310 661 HG SER 104 HG SER 104 34.493 20.722 1.966 662 H LEU 105 H LEU 105 38.063 23.967 1.522 663 HA LEU 105 HA LEU 105 39.914 24.461 3.683 664 HB2 LEU 105 HB1 LEU 105 39.281 25.728 1.058 665 HB3 LEU 105 HB2 LEU 105 40.111 26.696 2.289 666 HG LEU 105 HG LEU 105 41.195 24.024 1.472 667 HD11 LEU 105 HD11 LEU 105 42.515 25.058 -0.247 668 HD12 LEU 105 HD12 LEU 105 41.817 26.638 0.108 669 HD13 LEU 105 HD13 LEU 105 40.810 25.363 -0.578 670 HD21 LEU 105 HD21 LEU 105 41.935 25.628 3.458 671 HD22 LEU 105 HD22 LEU 105 42.848 26.390 2.155 672 HD23 LEU 105 HD23 LEU 105 43.097 24.682 2.528 673 H GLU 106 H GLU 106 39.742 25.954 5.284 674 HA GLU 106 HA GLU 106 37.098 27.008 5.807 675 HB2 GLU 106 HB1 GLU 106 39.647 27.243 7.422 676 HB3 GLU 106 HB2 GLU 106 38.022 27.679 7.974 677 HG2 GLU 106 HG1 GLU 106 38.129 25.626 8.907 678 HG3 GLU 106 HG2 GLU 106 37.543 25.152 7.306 679 HE2 GLU 106 HE GLU 106 41.381 24.429 8.068 680 H HIS 107 H HIS 107 36.968 29.297 6.712 681 HA HIS 107 HA HIS 107 37.969 31.091 4.691 682 HB2 HIS 107 HB1 HIS 107 36.593 32.780 5.763 683 HB3 HIS 107 HB2 HIS 107 35.667 31.289 5.571 684 HD1 HIS 107 HD1 HIS 107 34.646 33.196 7.633 685 HD2 HIS 107 HD2 HIS 107 37.477 30.281 8.504 686 HE1 HIS 107 HE1 HIS 107 34.482 32.818 10.114 687 HE2 HIS 107 HE2 HIS 107 36.213 31.038 10.648 688 H HIS 108 H HIS 108 38.514 33.424 5.802 689 HA HIS 108 HA HIS 108 40.699 32.923 7.714 690 HB2 HIS 108 HB1 HIS 108 40.989 33.705 5.052 691 HB3 HIS 108 HB2 HIS 108 41.184 35.200 5.971 692 HD1 HIS 108 HD1 HIS 108 42.616 33.899 8.461 693 HD2 HIS 108 HD2 HIS 108 43.672 33.335 4.483 694 HE1 HIS 108 HE1 HIS 108 45.037 33.221 8.498 695 HE2 HIS 108 HE2 HIS 108 45.683 32.876 6.066 696 H HIS 109 H HIS 109 37.933 33.853 8.121 697 HA HIS 109 HA HIS 109 36.784 35.427 9.297 698 HB2 HIS 109 HB1 HIS 109 39.490 36.345 10.283 699 HB3 HIS 109 HB2 HIS 109 37.935 36.501 11.106 700 HD1 HIS 109 HD1 HIS 109 36.803 33.773 11.176 701 HD2 HIS 109 HD2 HIS 109 40.872 34.460 11.652 702 HE1 HIS 109 HE1 HIS 109 37.689 31.752 12.383 703 HE2 HIS 109 HE2 HIS 109 40.177 32.172 12.674 704 H HIS 110 H HIS 110 37.025 37.978 9.949 705 HA HIS 110 HA HIS 110 37.909 39.404 7.536 706 HB2 HIS 110 HB1 HIS 110 35.200 39.438 8.834 707 HB3 HIS 110 HB2 HIS 110 35.782 40.858 7.961 708 HD1 HIS 110 HD1 HIS 110 33.394 38.802 7.152 709 HD2 HIS 110 HD2 HIS 110 37.158 39.150 5.427 710 HE1 HIS 110 HE1 HIS 110 33.157 37.874 4.826 711 HE2 HIS 110 HE2 HIS 110 35.457 38.087 3.771 712 H HIS 111 H HIS 111 37.533 41.918 8.038 713 HA HIS 111 HA HIS 111 39.179 42.433 10.372 714 HB2 HIS 111 HB1 HIS 111 39.485 43.460 8.023 715 HB3 HIS 111 HB2 HIS 111 38.146 44.521 8.467 716 HD1 HIS 111 HD1 HIS 111 41.026 43.464 10.697 717 HD2 HIS 111 HD2 HIS 111 39.440 46.873 8.929 718 HE1 HIS 111 HE1 HIS 111 42.357 45.386 11.626 719 HE2 HIS 111 HE2 HIS 111 41.388 47.468 10.547 720 H HIS 112 H HIS 112 36.135 43.747 9.054 721 HA HIS 112 HA HIS 112 35.326 44.367 11.820 722 HB2 HIS 112 HB1 HIS 112 35.762 46.241 9.958 723 HB3 HIS 112 HB2 HIS 112 34.090 45.845 9.551 724 HD1 HIS 112 HD1 HIS 112 35.477 48.448 11.115 725 HD2 HIS 112 HD2 HIS 112 32.842 45.578 12.557 726 HE1 HIS 112 HE1 HIS 112 34.343 49.508 13.094 727 HE2 HIS 112 HE2 HIS 112 32.733 47.754 13.976 Start of MODEL 12 1 H1 MET 18 H MET 18 -62.813 41.252 33.890 2 HA MET 18 HA MET 18 -61.394 40.473 35.508 3 HB2 MET 18 HB1 MET 18 -63.184 38.174 35.091 4 HB3 MET 18 HB2 MET 18 -61.569 37.749 35.679 5 HG2 MET 18 HG1 MET 18 -61.933 38.594 37.725 6 HG3 MET 18 HG2 MET 18 -62.807 39.992 37.090 7 HE1 MET 18 HE1 MET 18 -62.980 38.089 39.521 8 HE2 MET 18 HE2 MET 18 -64.569 38.799 39.803 9 HE3 MET 18 HE3 MET 18 -64.404 37.052 39.623 10 H LEU 19 H LEU 19 -59.261 40.141 35.295 11 HA LEU 19 HA LEU 19 -58.219 38.211 33.410 12 HB2 LEU 19 HB1 LEU 19 -58.500 40.974 32.705 13 HB3 LEU 19 HB2 LEU 19 -56.779 40.572 32.837 14 HG LEU 19 HG LEU 19 -57.757 38.494 31.333 15 HD11 LEU 19 HD11 LEU 19 -58.944 39.890 29.484 16 HD12 LEU 19 HD12 LEU 19 -59.372 40.953 30.825 17 HD13 LEU 19 HD13 LEU 19 -59.874 39.263 30.846 18 HD21 LEU 19 HD21 LEU 19 -56.832 40.016 29.406 19 HD22 LEU 19 HD22 LEU 19 -55.757 39.382 30.651 20 HD23 LEU 19 HD23 LEU 19 -56.334 41.045 30.749 21 H VAL 20 H VAL 20 -57.153 37.203 35.066 22 HA VAL 20 HA VAL 20 -55.545 38.654 36.954 23 HB VAL 20 HB VAL 20 -54.873 36.463 37.799 24 HG11 VAL 20 HG11 VAL 20 -57.127 37.514 38.324 25 HG12 VAL 20 HG12 VAL 20 -57.816 36.339 37.201 26 HG13 VAL 20 HG13 VAL 20 -56.963 35.787 38.643 27 HG21 VAL 20 HG21 VAL 20 -56.297 34.546 36.544 28 HG22 VAL 20 HG22 VAL 20 -55.898 35.588 35.178 29 HG23 VAL 20 HG23 VAL 20 -54.611 34.914 36.178 30 H LEU 21 H LEU 21 -53.351 38.879 37.018 31 HA LEU 21 HA LEU 21 -51.945 38.694 34.534 32 HB2 LEU 21 HB1 LEU 21 -51.623 40.008 37.056 33 HB3 LEU 21 HB2 LEU 21 -50.130 39.138 36.658 34 HG LEU 21 HG LEU 21 -50.176 40.331 34.425 35 HD11 LEU 21 HD11 LEU 21 -52.104 42.174 35.815 36 HD12 LEU 21 HD12 LEU 21 -52.604 40.959 34.640 37 HD13 LEU 21 HD13 LEU 21 -51.519 42.262 34.153 38 HD21 LEU 21 HD21 LEU 21 -49.917 42.567 36.216 39 HD22 LEU 21 HD22 LEU 21 -48.667 41.665 35.358 40 HD23 LEU 21 HD23 LEU 21 -49.226 41.113 36.937 41 H ASP 22 H ASP 22 -50.691 37.105 33.799 42 HA ASP 22 HA ASP 22 -49.117 35.410 35.414 43 HB2 ASP 22 HB1 ASP 22 -51.865 34.604 35.070 44 HB3 ASP 22 HB2 ASP 22 -50.792 33.441 34.279 45 HD2 ASP 22 HD ASP 22 -49.437 32.404 37.315 46 H PHE 23 H PHE 23 -47.477 35.696 33.993 47 HA PHE 23 HA PHE 23 -47.688 34.298 31.451 48 HB2 PHE 23 HB1 PHE 23 -47.585 37.207 31.709 49 HB3 PHE 23 HB2 PHE 23 -46.271 36.569 30.719 50 HD1 PHE 23 HD1 PHE 23 -46.742 35.286 28.673 51 HD2 PHE 23 HD2 PHE 23 -49.839 37.162 30.910 52 HE1 PHE 23 HE1 PHE 23 -48.256 35.078 26.744 53 HE2 PHE 23 HE2 PHE 23 -51.359 36.955 28.987 54 HZ PHE 23 HZ PHE 23 -50.569 35.912 26.901 55 H ASN 24 H ASN 24 -45.418 36.543 33.042 56 HA ASN 24 HA ASN 24 -43.219 36.347 33.593 57 HB2 ASN 24 HB1 ASN 24 -43.593 33.356 33.668 58 HB3 ASN 24 HB2 ASN 24 -42.517 34.357 34.651 59 HD21 ASN 24 HD21 ASN 24 -45.632 33.001 34.355 60 HD22 ASN 24 HD22 ASN 24 -46.295 33.626 35.823 61 H ASN 25 H ASN 25 -41.200 34.690 33.018 62 HA ASN 25 HA ASN 25 -41.227 33.711 30.337 63 HB2 ASN 25 HB1 ASN 25 -41.141 36.300 30.168 64 HB3 ASN 25 HB2 ASN 25 -39.470 36.122 30.717 65 HD21 ASN 25 HD21 ASN 25 -41.600 35.917 28.084 66 HD22 ASN 25 HD22 ASN 25 -40.467 35.356 26.905 67 H ILE 26 H ILE 26 -39.415 32.494 29.859 68 HA ILE 26 HA ILE 26 -37.503 32.183 32.076 69 HB ILE 26 HB ILE 26 -38.287 30.167 29.967 70 HG12 ILE 26 HG11 ILE 26 -38.855 30.161 32.940 71 HG13 ILE 26 HG12 ILE 26 -40.022 30.676 31.711 72 HG21 ILE 26 HG21 ILE 26 -36.245 29.355 30.447 73 HG22 ILE 26 HG22 ILE 26 -36.121 30.271 31.948 74 HG23 ILE 26 HG23 ILE 26 -37.032 28.762 31.910 75 HD11 ILE 26 HD11 ILE 26 -39.060 28.126 30.953 76 HD12 ILE 26 HD12 ILE 26 -39.511 28.059 32.657 77 HD13 ILE 26 HD13 ILE 26 -40.686 28.590 31.453 78 H ARG 27 H ARG 27 -35.319 32.138 31.681 79 HA ARG 27 HA ARG 27 -34.501 32.987 28.984 80 HB2 ARG 27 HB1 ARG 27 -33.624 33.723 31.721 81 HB3 ARG 27 HB2 ARG 27 -32.355 33.598 30.494 82 HG2 ARG 27 HG1 ARG 27 -33.172 35.363 29.253 83 HG3 ARG 27 HG2 ARG 27 -34.809 35.187 29.905 84 HD2 ARG 27 HD1 ARG 27 -34.294 36.917 31.236 85 HD3 ARG 27 HD2 ARG 27 -33.348 35.737 32.155 86 HE ARG 27 HE ARG 27 -31.420 36.700 31.364 87 HH11 ARG 27 HH11 ARG 27 -34.137 37.853 29.518 88 HH12 ARG 27 HH12 ARG 27 -33.225 39.070 28.690 89 HH21 ARG 27 HH21 ARG 27 -30.208 38.300 30.281 90 HH22 ARG 27 HH22 ARG 27 -30.990 39.324 29.124 91 H SER 28 H SER 28 -33.140 31.761 27.836 92 HA SER 28 HA SER 28 -31.177 30.054 28.938 93 HB2 SER 28 HB1 SER 28 -33.790 28.949 28.893 94 HB3 SER 28 HB2 SER 28 -32.872 28.161 27.596 95 HG SER 28 HG SER 28 -32.772 27.404 29.981 96 H SER 29 H SER 29 -29.658 29.708 27.439 97 HA SER 29 HA SER 29 -30.230 29.271 24.681 98 HB2 SER 29 HB1 SER 29 -29.239 31.293 23.752 99 HB3 SER 29 HB2 SER 29 -30.596 31.725 24.806 100 HG SER 29 HG SER 29 -28.235 32.710 24.969 101 H ALA 30 H ALA 30 -28.601 28.164 23.781 102 HA ALA 30 HA ALA 30 -25.860 28.585 24.334 103 HB1 ALA 30 HB1 ALA 30 -25.645 27.455 26.242 104 HB2 ALA 30 HB2 ALA 30 -27.273 26.787 26.119 105 HB3 ALA 30 HB3 ALA 30 -25.930 25.994 25.296 106 H ASP 31 H ASP 31 -24.563 27.539 22.874 107 HA ASP 31 HA ASP 31 -25.216 25.186 21.488 108 HB2 ASP 31 HB1 ASP 31 -26.937 26.284 20.323 109 HB3 ASP 31 HB2 ASP 31 -25.991 27.768 20.156 110 HD2 ASP 31 HD ASP 31 -24.910 24.815 17.726 111 H LEU 32 H LEU 32 -23.489 24.439 20.335 112 HA LEU 32 HA LEU 32 -21.471 26.058 19.207 113 HB2 LEU 32 HB1 LEU 32 -21.261 25.956 21.936 114 HB3 LEU 32 HB2 LEU 32 -20.212 24.620 21.427 115 HG LEU 32 HG LEU 32 -18.997 26.257 19.956 116 HD11 LEU 32 HD11 LEU 32 -20.637 27.980 19.732 117 HD12 LEU 32 HD12 LEU 32 -19.252 28.653 20.591 118 HD13 LEU 32 HD13 LEU 32 -20.710 28.211 21.479 119 HD21 LEU 32 HD21 LEU 32 -18.785 25.750 22.703 120 HD22 LEU 32 HD22 LEU 32 -18.536 27.486 22.512 121 HD23 LEU 32 HD23 LEU 32 -17.529 26.346 21.618 122 H HIS 33 H HIS 33 -20.870 24.847 17.549 123 HA HIS 33 HA HIS 33 -19.878 22.176 17.934 124 HB2 HIS 33 HB1 HIS 33 -22.615 22.498 17.281 125 HB3 HIS 33 HB2 HIS 33 -21.806 21.941 15.815 126 HD1 HIS 33 HD1 HIS 33 -23.298 20.674 18.823 127 HD2 HIS 33 HD2 HIS 33 -20.168 19.500 16.356 128 HE1 HIS 33 HE1 HIS 33 -22.900 18.248 19.351 129 HE2 HIS 33 HE2 HIS 33 -20.988 17.529 17.843 130 H GLY 34 H GLY 34 -19.430 21.193 15.613 131 HA2 GLY 34 HA2 GLY 34 -18.879 21.742 13.314 132 HA3 GLY 34 HA3 GLY 34 -18.515 23.375 13.851 133 HA1 GLY 34 HA1 GLY 34 -18.618 21.257 14.003 134 H ALA 35 H ALA 35 -17.130 20.628 12.794 135 HA ALA 35 HA ALA 35 -14.509 21.439 13.476 136 HB1 ALA 35 HB1 ALA 35 -15.059 18.807 14.738 137 HB2 ALA 35 HB2 ALA 35 -13.856 20.030 15.147 138 HB3 ALA 35 HB3 ALA 35 -15.541 20.263 15.607 139 H ARG 36 H ARG 36 -13.043 19.201 13.176 140 HA ARG 36 HA ARG 36 -12.184 17.827 11.577 141 HB2 ARG 36 HB1 ARG 36 -14.685 16.865 12.234 142 HB3 ARG 36 HB2 ARG 36 -14.745 16.952 10.468 143 HG2 ARG 36 HG1 ARG 36 -12.361 15.772 10.732 144 HG3 ARG 36 HG2 ARG 36 -13.131 15.208 12.224 145 HD2 ARG 36 HD1 ARG 36 -15.109 14.500 10.799 146 HD3 ARG 36 HD2 ARG 36 -14.080 14.813 9.396 147 HE ARG 36 HE ARG 36 -12.569 13.149 10.903 148 HH11 ARG 36 HH11 ARG 36 -15.836 13.005 9.710 149 HH12 ARG 36 HH12 ARG 36 -15.858 11.276 9.599 150 HH21 ARG 36 HH21 ARG 36 -12.585 10.872 10.761 151 HH22 ARG 36 HH22 ARG 36 -14.008 10.065 10.198 152 H LYS 37 H LYS 37 -12.709 17.118 9.087 153 HA LYS 37 HA LYS 37 -13.596 19.437 7.562 154 HB2 LYS 37 HB1 LYS 37 -10.919 19.160 8.151 155 HB3 LYS 37 HB2 LYS 37 -11.048 18.390 6.562 156 HG2 LYS 37 HG1 LYS 37 -10.605 20.548 5.945 157 HG3 LYS 37 HG2 LYS 37 -12.378 20.560 5.949 158 HD2 LYS 37 HD1 LYS 37 -11.872 21.204 8.538 159 HD3 LYS 37 HD2 LYS 37 -10.473 21.931 7.729 160 HE2 LYS 37 HE1 LYS 37 -12.490 22.702 6.065 161 HE3 LYS 37 HE2 LYS 37 -13.312 22.684 7.631 162 HZ1 LYS 37 HZ1 LYS 37 -11.953 24.769 6.754 163 HZ2 LYS 37 HZ2 LYS 37 -10.698 23.965 7.554 164 HZ3 LYS 37 HZ3 LYS 37 -12.095 24.407 8.400 165 H GLY 38 H GLY 38 -13.536 18.950 5.160 166 HA2 GLY 38 HA2 GLY 38 -14.710 16.329 4.765 167 HA3 GLY 38 HA3 GLY 38 -14.640 17.632 3.588 168 HA1 GLY 38 HA1 GLY 38 -13.898 16.350 5.113 169 H SER 39 H SER 39 -12.922 14.927 4.987 170 HA SER 39 HA SER 39 -10.810 15.178 2.971 171 HB2 SER 39 HB1 SER 39 -10.798 14.390 5.674 172 HB3 SER 39 HB2 SER 39 -10.492 12.914 4.740 173 HG SER 39 HG SER 39 -8.963 14.518 3.562 174 H GLN 40 H GLN 40 -10.813 13.967 1.198 175 HA GLN 40 HA GLN 40 -12.917 12.253 0.520 176 HB2 GLN 40 HB1 GLN 40 -11.189 13.490 -0.978 177 HB3 GLN 40 HB2 GLN 40 -10.208 12.033 -0.755 178 HG2 GLN 40 HG1 GLN 40 -11.607 10.712 -1.990 179 HG3 GLN 40 HG2 GLN 40 -13.025 11.707 -1.635 180 HE21 GLN 40 HE21 GLN 40 -10.976 10.818 -4.010 181 HE22 GLN 40 HE22 GLN 40 -11.140 12.171 -5.072 182 H CYS 41 H CYS 41 -9.637 11.541 1.660 183 HA CYS 41 HA CYS 41 -10.555 8.832 2.346 184 HB2 CYS 41 HB1 CYS 41 -8.477 7.861 1.630 185 HB3 CYS 41 HB2 CYS 41 -9.146 8.789 0.286 186 H LEU 42 H LEU 42 -9.744 7.970 4.241 187 HA LEU 42 HA LEU 42 -8.806 9.882 6.170 188 HB2 LEU 42 HB1 LEU 42 -10.400 7.773 6.404 189 HB3 LEU 42 HB2 LEU 42 -8.860 6.967 6.754 190 HG LEU 42 HG LEU 42 -8.698 9.081 8.434 191 HD11 LEU 42 HD11 LEU 42 -10.831 10.005 8.020 192 HD12 LEU 42 HD12 LEU 42 -10.954 9.160 9.562 193 HD13 LEU 42 HD13 LEU 42 -11.613 8.426 8.100 194 HD21 LEU 42 HD21 LEU 42 -8.920 7.531 10.125 195 HD22 LEU 42 HD22 LEU 42 -8.567 6.494 8.742 196 HD23 LEU 42 HD23 LEU 42 -10.227 6.670 9.312 197 H SER 43 H SER 43 -7.424 7.274 4.295 198 HA SER 43 HA SER 43 -4.773 8.197 4.740 199 HB2 SER 43 HB1 SER 43 -5.449 6.845 6.879 200 HB3 SER 43 HB2 SER 43 -5.194 5.435 5.836 201 HG SER 43 HG SER 43 -3.133 5.700 6.070 202 H ASP 44 H ASP 44 -3.256 6.080 4.076 203 HA ASP 44 HA ASP 44 -3.804 5.746 1.317 204 HB2 ASP 44 HB1 ASP 44 -1.765 4.584 1.181 205 HB3 ASP 44 HB2 ASP 44 -1.525 5.739 2.499 206 HD2 ASP 44 HD ASP 44 -1.562 1.883 3.357 207 H THR 45 H THR 45 -4.496 3.842 4.143 208 HA THR 45 HA THR 45 -4.897 1.328 3.017 209 HB THR 45 HB THR 45 -6.795 1.279 4.907 210 HG1 THR 45 HG1 THR 45 -6.802 3.041 6.065 211 HG21 THR 45 HG21 THR 45 -3.969 1.467 5.864 212 HG22 THR 45 HG22 THR 45 -4.419 0.199 4.724 213 HG23 THR 45 HG23 THR 45 -5.222 0.304 6.291 214 H ASP 46 H ASP 46 -6.871 4.194 2.900 215 HA ASP 46 HA ASP 46 -9.297 2.955 2.111 216 HB2 ASP 46 HB1 ASP 46 -8.677 5.442 2.914 217 HB3 ASP 46 HB2 ASP 46 -8.700 5.708 1.165 218 HD2 ASP 46 HD ASP 46 -12.180 4.393 1.441 219 H CYS 47 H CYS 47 -6.404 3.836 0.422 220 HA CYS 47 HA CYS 47 -7.592 3.734 -2.201 221 HB2 CYS 47 HB1 CYS 47 -5.003 4.421 -1.043 222 HB3 CYS 47 HB2 CYS 47 -4.843 3.469 -2.520 223 H ASN 48 H ASN 48 -4.827 1.869 -0.967 224 HA ASN 48 HA ASN 48 -5.988 -0.672 -1.267 225 HB2 ASN 48 HB1 ASN 48 -5.186 0.550 -3.726 226 HB3 ASN 48 HB2 ASN 48 -4.092 -0.798 -3.388 227 HD21 ASN 48 HD21 ASN 48 -6.968 0.042 -4.768 228 HD22 ASN 48 HD22 ASN 48 -7.719 -1.513 -4.823 229 H THR 49 H THR 49 -4.148 -2.403 -1.512 230 HA THR 49 HA THR 49 -2.296 -1.892 0.596 231 HB THR 49 HB THR 49 -1.839 -4.244 -1.149 232 HG1 THR 49 HG1 THR 49 -4.181 -4.028 0.465 233 HG21 THR 49 HG21 THR 49 -2.094 -3.753 1.815 234 HG22 THR 49 HG22 THR 49 -0.635 -4.137 0.901 235 HG23 THR 49 HG23 THR 49 -1.889 -5.358 1.114 236 H ARG 50 H ARG 50 -2.169 -1.694 -2.859 237 HA ARG 50 HA ARG 50 0.719 -1.127 -2.698 238 HB2 ARG 50 HB1 ARG 50 -0.730 -2.126 -5.154 239 HB3 ARG 50 HB2 ARG 50 1.018 -2.005 -4.898 240 HG2 ARG 50 HG1 ARG 50 0.827 -4.218 -4.513 241 HG3 ARG 50 HG2 ARG 50 0.409 -3.657 -2.886 242 HD2 ARG 50 HD1 ARG 50 -1.902 -3.951 -3.242 243 HD3 ARG 50 HD2 ARG 50 -1.689 -4.050 -4.995 244 HE ARG 50 HE ARG 50 -0.275 -6.173 -3.955 245 HH11 ARG 50 HH11 ARG 50 -3.575 -5.063 -3.912 246 HH12 ARG 50 HH12 ARG 50 -4.246 -6.654 -3.784 247 HH21 ARG 50 HH21 ARG 50 -1.148 -8.274 -3.786 248 HH22 ARG 50 HH22 ARG 50 -2.864 -8.481 -3.711 249 H LYS 51 H LYS 51 -1.498 0.722 -2.326 250 HA LYS 51 HA LYS 51 -0.700 2.686 -4.319 251 HB2 LYS 51 HB1 LYS 51 -3.455 1.564 -4.048 252 HB3 LYS 51 HB2 LYS 51 -3.285 3.293 -4.385 253 HG2 LYS 51 HG1 LYS 51 -2.835 2.923 -6.527 254 HG3 LYS 51 HG2 LYS 51 -1.581 1.740 -6.115 255 HD2 LYS 51 HD1 LYS 51 -2.969 -0.039 -6.362 256 HD3 LYS 51 HD2 LYS 51 -4.378 0.852 -5.760 257 HE2 LYS 51 HE1 LYS 51 -4.211 2.176 -7.985 258 HE3 LYS 51 HE2 LYS 51 -3.203 0.822 -8.517 259 HZ1 LYS 51 HZ1 LYS 51 -4.953 -0.634 -8.446 260 HZ2 LYS 51 HZ2 LYS 51 -5.753 0.782 -8.912 261 HZ3 LYS 51 HZ3 LYS 51 -5.820 0.263 -7.303 262 H PHE 52 H PHE 52 -0.898 4.814 -3.627 263 HA PHE 52 HA PHE 52 -1.629 5.131 -0.791 264 HB2 PHE 52 HB1 PHE 52 -0.047 7.118 -0.864 265 HB3 PHE 52 HB2 PHE 52 0.701 5.523 -0.970 266 HD1 PHE 52 HD1 PHE 52 1.763 4.753 -2.990 267 HD2 PHE 52 HD2 PHE 52 -0.090 8.581 -2.813 268 HE1 PHE 52 HE1 PHE 52 2.895 5.395 -5.078 269 HE2 PHE 52 HE2 PHE 52 1.039 9.228 -4.901 270 HZ PHE 52 HZ PHE 52 2.533 7.634 -6.037 271 H CYS 53 H CYS 53 -2.253 7.429 -0.226 272 HA CYS 53 HA CYS 53 -4.223 8.339 -2.186 273 HB2 CYS 53 HB1 CYS 53 -4.373 7.932 0.542 274 HB3 CYS 53 HB2 CYS 53 -4.200 9.683 0.416 275 H LEU 54 H LEU 54 -3.245 9.678 -3.609 276 HA LEU 54 HA LEU 54 -1.352 11.679 -2.698 277 HB2 LEU 54 HB1 LEU 54 -1.393 10.261 -4.935 278 HB3 LEU 54 HB2 LEU 54 -2.397 11.613 -5.483 279 HG LEU 54 HG LEU 54 -0.059 11.897 -6.137 280 HD11 LEU 54 HD11 LEU 54 -1.355 13.890 -5.798 281 HD12 LEU 54 HD12 LEU 54 0.275 14.159 -5.181 282 HD13 LEU 54 HD13 LEU 54 -1.050 13.845 -4.061 283 HD21 LEU 54 HD21 LEU 54 0.551 10.787 -3.722 284 HD22 LEU 54 HD22 LEU 54 0.894 12.493 -3.433 285 HD23 LEU 54 HD23 LEU 54 1.690 11.645 -4.759 286 H GLN 55 H GLN 55 -2.142 13.457 -1.782 287 HA GLN 55 HA GLN 55 -4.535 14.696 -2.976 288 HB2 GLN 55 HB1 GLN 55 -4.782 15.788 -0.676 289 HB3 GLN 55 HB2 GLN 55 -5.165 14.065 -0.801 290 HG2 GLN 55 HG1 GLN 55 -2.980 13.486 0.117 291 HG3 GLN 55 HG2 GLN 55 -2.577 15.205 0.226 292 HE21 GLN 55 HE21 GLN 55 -2.259 14.186 2.499 293 HE22 GLN 55 HE22 GLN 55 -3.590 14.395 3.581 294 HA PRO 56 HA PRO 56 -1.129 17.646 -3.799 295 HB2 PRO 56 HB1 PRO 56 -2.228 18.593 -6.121 296 HB3 PRO 56 HB2 PRO 56 -1.252 17.128 -6.035 297 HG2 PRO 56 HG1 PRO 56 -4.235 17.428 -6.037 298 HG3 PRO 56 HG2 PRO 56 -3.205 16.274 -6.963 299 HD2 PRO 56 HD1 PRO 56 -4.554 15.555 -4.718 300 HD3 PRO 56 HD2 PRO 56 -2.978 14.867 -5.152 301 H ARG 57 H ARG 57 -1.075 19.886 -3.588 302 HA ARG 57 HA ARG 57 -3.390 21.047 -2.305 303 HB2 ARG 57 HB1 ARG 57 -0.544 21.511 -2.342 304 HB3 ARG 57 HB2 ARG 57 -1.415 23.021 -2.644 305 HG2 ARG 57 HG1 ARG 57 -1.640 23.216 -0.444 306 HG3 ARG 57 HG2 ARG 57 -2.794 21.874 -0.539 307 HD2 ARG 57 HD1 ARG 57 -1.154 20.267 0.016 308 HD3 ARG 57 HD2 ARG 57 0.164 21.406 -0.295 309 HE ARG 57 HE ARG 57 -1.293 21.098 2.138 310 HH11 ARG 57 HH11 ARG 57 0.396 23.408 0.154 311 HH12 ARG 57 HH12 ARG 57 0.797 24.449 1.481 312 HH21 ARG 57 HH21 ARG 57 -0.771 22.460 3.892 313 HH22 ARG 57 HH22 ARG 57 0.133 23.908 3.606 314 H ASP 58 H ASP 58 -1.784 21.212 -5.383 315 HA ASP 58 HA ASP 58 -3.257 23.579 -6.207 316 HB2 ASP 58 HB1 ASP 58 -0.834 22.331 -6.997 317 HB3 ASP 58 HB2 ASP 58 -1.922 22.285 -8.390 318 HD2 ASP 58 HD ASP 58 -0.344 25.711 -7.361 319 H GLU 59 H GLU 59 -3.503 20.147 -6.401 320 HA GLU 59 HA GLU 59 -5.806 20.432 -8.220 321 HB2 GLU 59 HB1 GLU 59 -3.464 18.825 -8.512 322 HB3 GLU 59 HB2 GLU 59 -4.851 17.750 -8.264 323 HG2 GLU 59 HG1 GLU 59 -5.919 19.416 -10.074 324 HG3 GLU 59 HG2 GLU 59 -4.211 19.530 -10.528 325 HE2 GLU 59 HE GLU 59 -4.362 16.511 -12.118 326 H LYS 60 H LYS 60 -7.096 18.165 -8.029 327 HA LYS 60 HA LYS 60 -8.019 18.131 -5.277 328 HB2 LYS 60 HB1 LYS 60 -9.079 17.270 -7.914 329 HB3 LYS 60 HB2 LYS 60 -9.630 16.357 -6.499 330 HG2 LYS 60 HG1 LYS 60 -10.716 18.171 -5.565 331 HG3 LYS 60 HG2 LYS 60 -9.748 19.341 -6.481 332 HD2 LYS 60 HD1 LYS 60 -10.893 18.807 -8.526 333 HD3 LYS 60 HD2 LYS 60 -11.741 17.460 -7.742 334 HE2 LYS 60 HE1 LYS 60 -12.508 19.438 -6.101 335 HE3 LYS 60 HE2 LYS 60 -12.246 20.375 -7.580 336 HZ1 LYS 60 HZ1 LYS 60 -14.527 19.149 -7.025 337 HZ2 LYS 60 HZ2 LYS 60 -13.760 17.911 -7.884 338 HZ3 LYS 60 HZ3 LYS 60 -13.992 19.422 -8.607 339 HA PRO 61 HA PRO 61 -6.210 14.339 -4.010 340 HB2 PRO 61 HB1 PRO 61 -8.225 13.170 -2.571 341 HB3 PRO 61 HB2 PRO 61 -7.325 14.580 -2.015 342 HG2 PRO 61 HG1 PRO 61 -9.991 14.445 -3.382 343 HG3 PRO 61 HG2 PRO 61 -9.493 15.415 -1.947 344 HD2 PRO 61 HD1 PRO 61 -9.700 16.480 -4.436 345 HD3 PRO 61 HD2 PRO 61 -8.491 17.024 -3.259 346 H PHE 62 H PHE 62 -5.960 12.222 -4.617 347 HA PHE 62 HA PHE 62 -8.057 10.675 -5.783 348 HB2 PHE 62 HB1 PHE 62 -7.311 10.546 -8.040 349 HB3 PHE 62 HB2 PHE 62 -7.427 12.262 -7.645 350 HD1 PHE 62 HD1 PHE 62 -5.371 9.776 -9.035 351 HD2 PHE 62 HD2 PHE 62 -5.228 13.382 -6.777 352 HE1 PHE 62 HE1 PHE 62 -3.032 10.110 -9.722 353 HE2 PHE 62 HE2 PHE 62 -2.889 13.721 -7.460 354 HZ PHE 62 HZ PHE 62 -1.788 12.085 -8.936 355 H CYS 63 H CYS 63 -7.182 8.568 -6.668 356 HA CYS 63 HA CYS 63 -5.148 7.605 -4.835 357 HB2 CYS 63 HB1 CYS 63 -7.414 6.465 -5.499 358 HB3 CYS 63 HB2 CYS 63 -6.493 5.885 -6.890 359 H ALA 64 H ALA 64 -3.121 7.020 -5.356 360 HA ALA 64 HA ALA 64 -2.350 7.185 -8.198 361 HB1 ALA 64 HB1 ALA 64 -0.013 7.612 -6.908 362 HB2 ALA 64 HB2 ALA 64 -1.097 8.897 -7.447 363 HB3 ALA 64 HB3 ALA 64 -1.151 8.342 -5.774 364 H THR 65 H THR 65 -0.531 5.839 -8.845 365 HA THR 65 HA THR 65 -0.648 3.236 -7.525 366 HB THR 65 HB THR 65 0.959 3.493 -9.984 367 HG1 THR 65 HG1 THR 65 -1.874 3.723 -10.146 368 HG21 THR 65 HG21 THR 65 -0.593 1.528 -8.572 369 HG22 THR 65 HG22 THR 65 0.563 1.301 -9.886 370 HG23 THR 65 HG23 THR 65 -1.131 1.630 -10.247 371 H CYS 66 H CYS 66 1.481 1.954 -7.633 372 HA CYS 66 HA CYS 66 3.314 3.029 -5.873 373 HB2 CYS 66 HB1 CYS 66 2.956 0.593 -7.136 374 HB3 CYS 66 HB2 CYS 66 4.527 1.127 -7.733 375 H ARG 67 H ARG 67 5.507 3.724 -6.137 376 HA ARG 67 HA ARG 67 5.865 5.323 -8.563 377 HB2 ARG 67 HB1 ARG 67 7.099 5.444 -5.812 378 HB3 ARG 67 HB2 ARG 67 7.725 6.385 -7.175 379 HG2 ARG 67 HG1 ARG 67 4.862 6.549 -6.251 380 HG3 ARG 67 HG2 ARG 67 6.150 7.596 -5.634 381 HD2 ARG 67 HD1 ARG 67 6.596 8.428 -7.886 382 HD3 ARG 67 HD2 ARG 67 5.364 7.336 -8.535 383 HE ARG 67 HE ARG 67 4.304 9.068 -6.530 384 HH11 ARG 67 HH11 ARG 67 5.224 8.887 -9.883 385 HH12 ARG 67 HH12 ARG 67 4.138 10.140 -10.384 386 HH21 ARG 67 HH21 ARG 67 2.869 10.718 -7.178 387 HH22 ARG 67 HH22 ARG 67 2.799 11.181 -8.843 388 H GLY 68 H GLY 68 8.412 5.671 -8.943 389 HA2 GLY 68 HA2 GLY 68 9.525 2.950 -9.246 390 HA3 GLY 68 HA3 GLY 68 9.746 4.233 -10.426 391 HA1 GLY 68 HA1 GLY 68 9.500 3.398 -8.487 392 H LEU 69 H LEU 69 11.862 2.770 -9.292 393 HA LEU 69 HA LEU 69 13.091 3.992 -7.095 394 HB2 LEU 69 HB1 LEU 69 14.304 2.585 -9.479 395 HB3 LEU 69 HB2 LEU 69 15.197 3.038 -8.016 396 HG LEU 69 HG LEU 69 12.968 1.017 -8.230 397 HD11 LEU 69 HD11 LEU 69 15.630 0.375 -7.122 398 HD12 LEU 69 HD12 LEU 69 15.538 0.648 -8.863 399 HD13 LEU 69 HD13 LEU 69 14.543 -0.600 -8.112 400 HD21 LEU 69 HD21 LEU 69 14.340 2.215 -5.843 401 HD22 LEU 69 HD22 LEU 69 13.607 0.611 -5.790 402 HD23 LEU 69 HD23 LEU 69 12.613 2.025 -6.145 403 H ARG 70 H ARG 70 12.817 4.984 -10.400 404 HA ARG 70 HA ARG 70 14.859 7.052 -10.056 405 HB2 ARG 70 HB1 ARG 70 13.256 6.261 -12.501 406 HB3 ARG 70 HB2 ARG 70 14.555 7.463 -12.464 407 HG2 ARG 70 HG1 ARG 70 15.423 4.919 -11.373 408 HG3 ARG 70 HG2 ARG 70 14.813 4.768 -13.029 409 HD2 ARG 70 HD1 ARG 70 17.095 5.235 -13.304 410 HD3 ARG 70 HD2 ARG 70 16.287 6.785 -13.570 411 HE ARG 70 HE ARG 70 16.922 6.711 -10.885 412 HH11 ARG 70 HH11 ARG 70 18.633 6.589 -13.915 413 HH12 ARG 70 HH12 ARG 70 20.066 7.330 -13.285 414 HH21 ARG 70 HH21 ARG 70 18.804 7.687 -10.044 415 HH22 ARG 70 HH22 ARG 70 20.163 7.953 -11.083 416 H ARG 71 H ARG 71 11.917 6.849 -9.003 417 HA ARG 71 HA ARG 71 10.978 9.443 -10.012 418 HB2 ARG 71 HB1 ARG 71 9.545 7.228 -8.529 419 HB3 ARG 71 HB2 ARG 71 8.816 8.798 -8.905 420 HG2 ARG 71 HG1 ARG 71 9.886 6.878 -10.975 421 HG3 ARG 71 HG2 ARG 71 8.187 7.003 -10.488 422 HD2 ARG 71 HD1 ARG 71 7.868 8.695 -11.901 423 HD3 ARG 71 HD2 ARG 71 9.144 9.616 -11.091 424 HE ARG 71 HE ARG 71 10.151 7.659 -12.937 425 HH11 ARG 71 HH11 ARG 71 8.936 10.903 -12.591 426 HH12 ARG 71 HH12 ARG 71 9.734 11.493 -14.011 427 HH21 ARG 71 HH21 ARG 71 11.206 8.424 -14.809 428 HH22 ARG 71 HH22 ARG 71 11.024 10.081 -15.273 429 H ARG 72 H ARG 72 10.437 11.114 -8.603 430 HA ARG 72 HA ARG 72 11.974 11.197 -6.181 431 HB2 ARG 72 HB1 ARG 72 10.049 13.187 -7.405 432 HB3 ARG 72 HB2 ARG 72 11.056 13.504 -5.985 433 HG2 ARG 72 HG1 ARG 72 12.855 12.590 -7.898 434 HG3 ARG 72 HG2 ARG 72 11.734 13.635 -8.788 435 HD2 ARG 72 HD1 ARG 72 12.753 14.620 -6.167 436 HD3 ARG 72 HD2 ARG 72 13.875 14.592 -7.534 437 HE ARG 72 HE ARG 72 11.487 15.797 -8.368 438 HH11 ARG 72 HH11 ARG 72 14.172 16.395 -6.235 439 HH12 ARG 72 HH12 ARG 72 14.067 18.118 -6.375 440 HH21 ARG 72 HH21 ARG 72 11.338 18.064 -8.560 441 HH22 ARG 72 HH22 ARG 72 12.454 19.067 -7.696 442 H CYS 73 H CYS 73 11.119 11.723 -4.079 443 HA CYS 73 HA CYS 73 8.293 11.182 -3.626 444 HB2 CYS 73 HB1 CYS 73 8.682 9.448 -1.988 445 HB3 CYS 73 HB2 CYS 73 9.406 8.968 -3.523 446 H GLN 74 H GLN 74 7.764 11.450 -1.235 447 HA GLN 74 HA GLN 74 9.511 13.487 -0.023 448 HB2 GLN 74 HB1 GLN 74 6.573 13.567 -0.581 449 HB3 GLN 74 HB2 GLN 74 7.190 14.381 0.866 450 HG2 GLN 74 HG1 GLN 74 8.918 15.278 -1.047 451 HG3 GLN 74 HG2 GLN 74 7.403 15.133 -1.950 452 HE21 GLN 74 HE21 GLN 74 9.108 16.830 0.512 453 HE22 GLN 74 HE22 GLN 74 7.928 18.062 0.785 454 H ARG 75 H ARG 75 7.068 10.995 0.474 455 HA ARG 75 HA ARG 75 7.909 10.821 3.293 456 HB2 ARG 75 HB1 ARG 75 5.343 11.136 2.230 457 HB3 ARG 75 HB2 ARG 75 5.436 9.431 2.695 458 HG2 ARG 75 HG1 ARG 75 6.128 10.085 4.962 459 HG3 ARG 75 HG2 ARG 75 5.976 11.786 4.491 460 HD2 ARG 75 HD1 ARG 75 3.605 10.126 3.926 461 HD3 ARG 75 HD2 ARG 75 3.999 10.321 5.639 462 HE ARG 75 HE ARG 75 4.075 12.826 4.327 463 HH11 ARG 75 HH11 ARG 75 1.855 10.411 5.495 464 HH12 ARG 75 HH12 ARG 75 0.564 11.537 5.755 465 HH21 ARG 75 HH21 ARG 75 2.382 14.317 4.666 466 HH22 ARG 75 HH22 ARG 75 0.865 13.758 5.282 467 H ASP 76 H ASP 76 8.427 8.831 4.152 468 HA ASP 76 HA ASP 76 9.558 6.924 2.430 469 HB2 ASP 76 HB1 ASP 76 10.332 7.214 4.725 470 HB3 ASP 76 HB2 ASP 76 8.767 6.665 5.338 471 HD2 ASP 76 HD ASP 76 10.401 3.616 5.514 472 H ALA 77 H ALA 77 6.362 7.240 3.754 473 HA ALA 77 HA ALA 77 5.574 4.533 3.162 474 HB1 ALA 77 HB1 ALA 77 4.135 5.120 4.762 475 HB2 ALA 77 HB2 ALA 77 4.405 6.842 4.489 476 HB3 ALA 77 HB3 ALA 77 3.247 5.962 3.493 477 H MET 78 H MET 78 5.188 7.713 1.678 478 HA MET 78 HA MET 78 3.335 7.129 -0.290 479 HB2 MET 78 HB1 MET 78 5.523 9.104 0.034 480 HB3 MET 78 HB2 MET 78 4.931 8.855 -1.615 481 HG2 MET 78 HG1 MET 78 2.767 9.155 0.315 482 HG3 MET 78 HG2 MET 78 3.851 10.548 0.262 483 HE1 MET 78 HE1 MET 78 3.650 11.895 -3.246 484 HE2 MET 78 HE2 MET 78 4.674 11.584 -1.843 485 HE3 MET 78 HE3 MET 78 4.628 10.429 -3.176 486 H CYS 79 H CYS 79 6.792 6.472 -0.216 487 HA CYS 79 HA CYS 79 7.089 5.692 -2.905 488 HB2 CYS 79 HB1 CYS 79 8.667 5.631 -0.466 489 HB3 CYS 79 HB2 CYS 79 8.918 4.175 -1.431 490 H CYS 80 H CYS 80 8.023 3.259 -3.192 491 HA CYS 80 HA CYS 80 5.694 1.603 -2.985 492 HB2 CYS 80 HB1 CYS 80 8.423 1.335 -4.181 493 HB3 CYS 80 HB2 CYS 80 7.474 -0.128 -3.911 494 HA PRO 81 HA PRO 81 6.512 -0.681 0.669 495 HB2 PRO 81 HB1 PRO 81 5.747 -3.215 -0.034 496 HB3 PRO 81 HB2 PRO 81 4.611 -1.892 0.224 497 HG2 PRO 81 HG1 PRO 81 5.764 -2.935 -2.341 498 HG3 PRO 81 HG2 PRO 81 4.058 -2.501 -1.951 499 HD2 PRO 81 HD1 PRO 81 5.699 -0.862 -3.362 500 HD3 PRO 81 HD2 PRO 81 4.457 -0.252 -2.258 501 H GLY 82 H GLY 82 8.504 -1.076 1.403 502 HA2 GLY 82 HA2 GLY 82 10.290 -2.608 1.768 503 HA3 GLY 82 HA3 GLY 82 10.056 -3.222 0.138 504 HA1 GLY 82 HA1 GLY 82 10.152 -1.744 1.662 505 H THR 83 H THR 83 10.034 0.188 0.509 506 HA THR 83 HA THR 83 12.861 0.370 -0.268 507 HB THR 83 HB THR 83 11.659 2.412 -1.705 508 HG1 THR 83 HG1 THR 83 9.982 1.413 -2.842 509 HG21 THR 83 HG21 THR 83 12.051 0.616 -3.635 510 HG22 THR 83 HG22 THR 83 12.894 -0.216 -2.328 511 HG23 THR 83 HG23 THR 83 13.389 1.408 -2.804 512 H LEU 84 H LEU 84 13.649 2.675 -0.182 513 HA LEU 84 HA LEU 84 12.293 4.160 1.971 514 HB2 LEU 84 HB1 LEU 84 14.998 3.092 1.827 515 HB3 LEU 84 HB2 LEU 84 14.972 4.835 2.148 516 HG LEU 84 HG LEU 84 15.092 3.478 4.202 517 HD11 LEU 84 HD11 LEU 84 14.218 5.572 4.620 518 HD12 LEU 84 HD12 LEU 84 12.956 4.514 5.251 519 HD13 LEU 84 HD13 LEU 84 12.762 5.271 3.671 520 HD21 LEU 84 HD21 LEU 84 13.686 1.605 3.238 521 HD22 LEU 84 HD22 LEU 84 12.277 2.605 3.595 522 HD23 LEU 84 HD23 LEU 84 13.333 2.068 4.903 523 H CYS 85 H CYS 85 12.884 6.479 2.050 524 HA CYS 85 HA CYS 85 13.033 7.547 -0.670 525 HB2 CYS 85 HB1 CYS 85 11.906 8.508 1.921 526 HB3 CYS 85 HB2 CYS 85 12.442 9.718 0.756 527 H VAL 86 H VAL 86 15.169 7.653 -1.188 528 HA VAL 86 HA VAL 86 16.951 9.096 0.656 529 HB VAL 86 HB VAL 86 17.717 7.360 -1.694 530 HG11 VAL 86 HG11 VAL 86 19.267 8.900 0.347 531 HG12 VAL 86 HG12 VAL 86 19.948 7.437 -0.367 532 HG13 VAL 86 HG13 VAL 86 19.505 8.798 -1.397 533 HG21 VAL 86 HG21 VAL 86 18.432 5.729 0.017 534 HG22 VAL 86 HG22 VAL 86 17.708 6.749 1.260 535 HG23 VAL 86 HG23 VAL 86 16.689 6.005 0.027 536 H ASN 87 H ASN 87 17.705 11.047 0.128 537 HA ASN 87 HA ASN 87 17.945 13.016 -0.992 538 HB2 ASN 87 HB1 ASN 87 19.482 11.239 -2.234 539 HB3 ASN 87 HB2 ASN 87 18.359 11.555 -3.563 540 HD21 ASN 87 HD21 ASN 87 21.040 12.689 -1.820 541 HD22 ASN 87 HD22 ASN 87 21.229 14.202 -2.632 542 H ASP 88 H ASP 88 15.285 12.090 -0.775 543 HA ASP 88 HA ASP 88 13.196 12.595 -1.522 544 HB2 ASP 88 HB1 ASP 88 14.434 14.336 -3.649 545 HB3 ASP 88 HB2 ASP 88 12.888 14.541 -2.816 546 HD2 ASP 88 HD ASP 88 15.532 16.708 -1.387 547 H VAL 89 H VAL 89 14.696 10.372 -2.662 548 HA VAL 89 HA VAL 89 13.030 9.955 -5.021 549 HB VAL 89 HB VAL 89 16.016 9.489 -5.057 550 HG11 VAL 89 HG11 VAL 89 13.944 9.009 -7.195 551 HG12 VAL 89 HG12 VAL 89 15.686 8.782 -7.365 552 HG13 VAL 89 HG13 VAL 89 14.766 7.762 -6.259 553 HG21 VAL 89 HG21 VAL 89 15.710 11.123 -7.077 554 HG22 VAL 89 HG22 VAL 89 14.260 11.615 -6.201 555 HG23 VAL 89 HG23 VAL 89 15.843 11.755 -5.435 556 H CYS 90 H CYS 90 12.431 7.844 -5.346 557 HA CYS 90 HA CYS 90 12.518 6.099 -3.135 558 HB2 CYS 90 HB1 CYS 90 11.109 6.270 -5.555 559 HB3 CYS 90 HB2 CYS 90 11.953 4.722 -5.621 560 H THR 91 H THR 91 14.235 5.022 -2.446 561 HA THR 91 HA THR 91 16.029 3.808 -4.445 562 HB THR 91 HB THR 91 16.853 4.946 -1.767 563 HG1 THR 91 HG1 THR 91 18.122 6.305 -3.388 564 HG21 THR 91 HG21 THR 91 19.154 4.513 -2.621 565 HG22 THR 91 HG22 THR 91 18.441 3.635 -3.974 566 HG23 THR 91 HG23 THR 91 18.222 3.046 -2.326 567 H THR 92 H THR 92 16.651 1.722 -4.110 568 HA THR 92 HA THR 92 15.050 0.064 -2.504 569 HB THR 92 HB THR 92 17.206 -1.519 -2.965 570 HG1 THR 92 HG1 THR 92 18.402 -0.766 -4.565 571 HG21 THR 92 HG21 THR 92 16.014 -2.371 -4.841 572 HG22 THR 92 HG22 THR 92 15.218 -0.823 -5.122 573 HG23 THR 92 HG23 THR 92 14.807 -1.781 -3.700 574 H MET 93 H MET 93 15.537 -1.149 -0.644 575 HA MET 93 HA MET 93 16.899 0.229 1.387 576 HB2 MET 93 HB1 MET 93 15.206 -2.005 1.197 577 HB3 MET 93 HB2 MET 93 16.689 -2.592 1.964 578 HG2 MET 93 HG1 MET 93 16.438 -0.509 3.496 579 HG3 MET 93 HG2 MET 93 14.767 -0.519 2.923 580 HE1 MET 93 HE1 MET 93 12.968 -1.656 4.353 581 HE2 MET 93 HE2 MET 93 13.484 -2.282 5.920 582 HE3 MET 93 HE3 MET 93 14.003 -0.679 5.397 583 H GLU 94 H GLU 94 17.887 -2.402 -0.731 584 HA GLU 94 HA GLU 94 20.251 -3.141 0.572 585 HB2 GLU 94 HB1 GLU 94 19.351 -3.269 -2.298 586 HB3 GLU 94 HB2 GLU 94 20.970 -3.807 -1.822 587 HG2 GLU 94 HG1 GLU 94 20.200 -5.631 -0.683 588 HG3 GLU 94 HG2 GLU 94 18.642 -4.878 -0.322 589 HE2 GLU 94 HE GLU 94 17.185 -6.291 -3.080 590 H ASP 95 H ASP 95 19.601 -0.593 -1.779 591 HA ASP 95 HA ASP 95 22.344 0.179 -2.051 592 HB2 ASP 95 HB1 ASP 95 20.255 0.583 -3.629 593 HB3 ASP 95 HB2 ASP 95 20.109 2.064 -2.672 594 HD2 ASP 95 HD ASP 95 22.954 1.837 -5.357 595 H ALA 96 H ALA 96 19.534 1.665 -0.438 596 HA ALA 96 HA ALA 96 20.885 3.813 0.724 597 HB1 ALA 96 HB1 ALA 96 18.444 2.345 1.714 598 HB2 ALA 96 HB2 ALA 96 18.993 3.915 2.301 599 HB3 ALA 96 HB3 ALA 96 18.471 3.734 0.626 600 H THR 97 H THR 97 20.716 3.928 3.338 601 HA THR 97 HA THR 97 21.700 3.359 5.312 602 HB THR 97 HB THR 97 21.739 0.492 4.379 603 HG1 THR 97 HG1 THR 97 19.629 1.569 4.117 604 HG21 THR 97 HG21 THR 97 21.221 1.566 7.140 605 HG22 THR 97 HG22 THR 97 22.853 1.259 6.549 606 HG23 THR 97 HG23 THR 97 21.694 -0.065 6.666 607 H GLU 98 H GLU 98 23.628 4.445 4.778 608 HA GLU 98 HA GLU 98 25.755 3.093 3.402 609 HB2 GLU 98 HB1 GLU 98 25.525 5.723 4.852 610 HB3 GLU 98 HB2 GLU 98 27.083 5.128 4.256 611 HG2 GLU 98 HG1 GLU 98 26.465 6.413 2.485 612 HG3 GLU 98 HG2 GLU 98 25.756 4.865 2.005 613 HE2 GLU 98 HE GLU 98 23.052 7.323 3.530 614 H ASN 99 H ASN 99 27.514 2.082 4.234 615 HA ASN 99 HA ASN 99 27.357 1.060 6.878 616 HB2 ASN 99 HB1 ASN 99 28.473 0.080 4.704 617 HB3 ASN 99 HB2 ASN 99 29.894 0.956 5.290 618 HD21 ASN 99 HD21 ASN 99 30.123 -1.684 5.077 619 HD22 ASN 99 HD22 ASN 99 30.119 -2.441 6.630 620 H LEU 100 H LEU 100 27.404 2.761 8.336 621 HA LEU 100 HA LEU 100 30.006 4.120 8.579 622 HB2 LEU 100 HB1 LEU 100 27.479 5.290 8.161 623 HB3 LEU 100 HB2 LEU 100 27.896 5.588 9.857 624 HG LEU 100 HG LEU 100 28.549 7.440 8.374 625 HD11 LEU 100 HD11 LEU 100 30.723 5.904 9.772 626 HD12 LEU 100 HD12 LEU 100 29.782 7.266 10.378 627 HD13 LEU 100 HD13 LEU 100 30.970 7.515 9.098 628 HD21 LEU 100 HD21 LEU 100 30.248 7.208 6.728 629 HD22 LEU 100 HD22 LEU 100 29.044 5.960 6.406 630 HD23 LEU 100 HD23 LEU 100 30.563 5.537 7.196 631 H TYR 101 H TYR 101 28.910 1.628 9.790 632 HA TYR 101 HA TYR 101 28.927 0.553 11.793 633 HB2 TYR 101 HB1 TYR 101 30.963 2.535 11.904 634 HB3 TYR 101 HB2 TYR 101 30.175 2.496 13.483 635 HD1 TYR 101 HD1 TYR 101 31.141 -0.125 10.990 636 HD2 TYR 101 HD2 TYR 101 31.332 1.232 15.019 637 HE1 TYR 101 HE1 TYR 101 32.419 -2.136 11.600 638 HE2 TYR 101 HE2 TYR 101 32.612 -0.775 15.638 639 HH TYR 101 HH TYR 101 33.474 -2.695 14.947 640 H PHE 102 H PHE 102 28.427 0.943 14.267 641 HA PHE 102 HA PHE 102 26.672 3.099 14.897 642 HB2 PHE 102 HB1 PHE 102 25.553 0.603 13.797 643 HB3 PHE 102 HB2 PHE 102 24.813 1.135 15.309 644 HD1 PHE 102 HD1 PHE 102 24.593 1.381 11.856 645 HD2 PHE 102 HD2 PHE 102 24.282 3.754 15.376 646 HE1 PHE 102 HE1 PHE 102 23.216 3.012 10.631 647 HE2 PHE 102 HE2 PHE 102 22.904 5.387 14.158 648 HZ PHE 102 HZ PHE 102 22.368 5.018 11.782 649 H GLN 103 H GLN 103 25.504 2.629 17.039 650 HA GLN 103 HA GLN 103 25.646 2.130 19.253 651 HB2 GLN 103 HB1 GLN 103 25.547 -0.230 18.122 652 HB3 GLN 103 HB2 GLN 103 27.239 -0.329 18.636 653 HG2 GLN 103 HG1 GLN 103 26.558 -1.015 20.624 654 HG3 GLN 103 HG2 GLN 103 25.832 0.578 20.873 655 HE21 GLN 103 HE21 GLN 103 25.143 -2.461 21.299 656 HE22 GLN 103 HE22 GLN 103 23.462 -2.506 20.902 657 H SER 104 H SER 104 27.086 3.964 19.439 658 HA SER 104 HA SER 104 29.913 3.253 19.811 659 HB2 SER 104 HB1 SER 104 28.663 6.009 19.595 660 HB3 SER 104 HB2 SER 104 30.395 5.632 19.626 661 HG SER 104 HG SER 104 28.852 5.781 17.514 662 H LEU 105 H LEU 105 28.550 2.260 21.819 663 HA LEU 105 HA LEU 105 28.655 4.231 23.999 664 HB2 LEU 105 HB1 LEU 105 26.757 2.253 23.309 665 HB3 LEU 105 HB2 LEU 105 27.541 1.720 24.805 666 HG LEU 105 HG LEU 105 25.476 2.976 25.229 667 HD11 LEU 105 HD11 LEU 105 27.402 4.906 26.257 668 HD12 LEU 105 HD12 LEU 105 27.890 3.230 26.504 669 HD13 LEU 105 HD13 LEU 105 26.337 3.794 27.118 670 HD21 LEU 105 HD21 LEU 105 26.919 5.357 24.078 671 HD22 LEU 105 HD22 LEU 105 25.274 5.300 24.713 672 HD23 LEU 105 HD23 LEU 105 25.675 4.447 23.222 673 H GLU 106 H GLU 106 30.145 4.055 25.555 674 HA GLU 106 HA GLU 106 31.268 1.622 26.446 675 HB2 GLU 106 HB1 GLU 106 32.350 2.243 24.073 676 HB3 GLU 106 HB2 GLU 106 33.399 3.208 25.122 677 HG2 GLU 106 HG1 GLU 106 34.224 1.336 26.246 678 HG3 GLU 106 HG2 GLU 106 32.898 0.311 25.678 679 HE2 GLU 106 HE GLU 106 35.260 1.132 22.648 680 H HIS 107 H HIS 107 31.071 2.309 28.509 681 HA HIS 107 HA HIS 107 33.025 4.088 29.557 682 HB2 HIS 107 HB1 HIS 107 30.552 5.255 28.719 683 HB3 HIS 107 HB2 HIS 107 30.623 5.307 30.483 684 HD1 HIS 107 HD1 HIS 107 32.037 6.890 27.474 685 HD2 HIS 107 HD2 HIS 107 32.839 6.789 31.549 686 HE1 HIS 107 HE1 HIS 107 33.605 8.810 27.898 687 HE2 HIS 107 HE2 HIS 107 34.095 8.749 30.387 688 H HIS 108 H HIS 108 33.585 2.813 31.204 689 HA HIS 108 HA HIS 108 31.504 2.074 33.138 690 HB2 HIS 108 HB1 HIS 108 32.680 -0.126 33.467 691 HB3 HIS 108 HB2 HIS 108 31.841 0.044 31.922 692 HD1 HIS 108 HD1 HIS 108 35.247 -0.321 33.379 693 HD2 HIS 108 HD2 HIS 108 33.499 0.203 29.646 694 HE1 HIS 108 HE1 HIS 108 37.066 -0.803 31.711 695 HE2 HIS 108 HE2 HIS 108 35.999 -0.482 29.428 696 H HIS 109 H HIS 109 32.007 2.824 35.079 697 HA HIS 109 HA HIS 109 34.758 2.729 36.022 698 HB2 HIS 109 HB1 HIS 109 33.181 5.269 35.648 699 HB3 HIS 109 HB2 HIS 109 34.459 5.155 36.863 700 HD1 HIS 109 HD1 HIS 109 34.022 6.254 33.541 701 HD2 HIS 109 HD2 HIS 109 36.994 4.112 35.501 702 HE1 HIS 109 HE1 HIS 109 36.075 6.487 32.108 703 HE2 HIS 109 HE2 HIS 109 37.892 5.178 33.304 704 H HIS 110 H HIS 110 34.908 2.385 38.180 705 HA HIS 110 HA HIS 110 32.549 2.805 39.858 706 HB2 HIS 110 HB1 HIS 110 33.893 0.174 39.311 707 HB3 HIS 110 HB2 HIS 110 33.123 0.464 40.874 708 HD1 HIS 110 HD1 HIS 110 32.349 -0.296 37.341 709 HD2 HIS 110 HD2 HIS 110 30.291 0.797 40.781 710 HE1 HIS 110 HE1 HIS 110 29.926 -0.752 36.847 711 HE2 HIS 110 HE2 HIS 110 28.666 -0.083 38.948 712 H HIS 111 H HIS 111 33.000 2.904 42.110 713 HA HIS 111 HA HIS 111 35.523 4.080 42.711 714 HB2 HIS 111 HB1 HIS 111 33.022 4.218 43.811 715 HB3 HIS 111 HB2 HIS 111 33.871 3.213 44.989 716 HD1 HIS 111 HD1 HIS 111 34.638 6.477 43.169 717 HD2 HIS 111 HD2 HIS 111 35.044 4.700 46.903 718 HE1 HIS 111 HE1 HIS 111 35.698 8.225 44.633 719 HE2 HIS 111 HE2 HIS 111 35.945 7.141 46.916 720 H HIS 112 H HIS 112 33.934 1.194 44.086 721 HA HIS 112 HA HIS 112 36.241 -0.432 43.876 722 HB2 HIS 112 HB1 HIS 112 36.670 -0.666 46.342 723 HB3 HIS 112 HB2 HIS 112 37.176 0.874 45.644 724 HD1 HIS 112 HD1 HIS 112 33.935 -0.358 47.237 725 HD2 HIS 112 HD2 HIS 112 36.520 2.895 47.297 726 HE1 HIS 112 HE1 HIS 112 32.945 1.257 48.892 727 HE2 HIS 112 HE2 HIS 112 34.523 3.246 48.928 Start of MODEL 13 1 H1 MET 18 H MET 18 -31.090 -0.128 61.496 2 HA MET 18 HA MET 18 -31.002 -2.390 60.066 3 HB2 MET 18 HB1 MET 18 -33.880 -1.653 60.578 4 HB3 MET 18 HB2 MET 18 -33.393 -2.583 59.153 5 HG2 MET 18 HG1 MET 18 -32.712 -4.425 60.415 6 HG3 MET 18 HG2 MET 18 -32.615 -3.472 61.900 7 HE1 MET 18 HE1 MET 18 -34.699 -6.388 62.127 8 HE2 MET 18 HE2 MET 18 -33.503 -5.370 62.931 9 HE3 MET 18 HE3 MET 18 -35.189 -5.327 63.448 10 H LEU 19 H LEU 19 -29.894 -1.357 58.519 11 HA LEU 19 HA LEU 19 -31.343 0.588 56.877 12 HB2 LEU 19 HB1 LEU 19 -28.589 0.966 58.055 13 HB3 LEU 19 HB2 LEU 19 -29.214 1.920 56.701 14 HG LEU 19 HG LEU 19 -30.586 1.828 59.378 15 HD11 LEU 19 HD11 LEU 19 -29.020 3.118 60.266 16 HD12 LEU 19 HD12 LEU 19 -29.226 4.286 58.961 17 HD13 LEU 19 HD13 LEU 19 -28.060 2.973 58.793 18 HD21 LEU 19 HD21 LEU 19 -30.718 3.707 57.024 19 HD22 LEU 19 HD22 LEU 19 -31.519 3.976 58.572 20 HD23 LEU 19 HD23 LEU 19 -31.976 2.598 57.569 21 H VAL 20 H VAL 20 -31.059 -2.029 56.199 22 HA VAL 20 HA VAL 20 -28.720 -2.541 54.647 23 HB VAL 20 HB VAL 20 -31.412 -3.902 54.475 24 HG11 VAL 20 HG11 VAL 20 -29.846 -5.828 53.753 25 HG12 VAL 20 HG12 VAL 20 -30.246 -4.571 52.581 26 HG13 VAL 20 HG13 VAL 20 -28.688 -4.544 53.408 27 HG21 VAL 20 HG21 VAL 20 -29.520 -5.482 55.853 28 HG22 VAL 20 HG22 VAL 20 -29.484 -3.876 56.581 29 HG23 VAL 20 HG23 VAL 20 -31.004 -4.765 56.481 30 H LEU 21 H LEU 21 -28.260 -1.390 52.888 31 HA LEU 21 HA LEU 21 -30.186 -0.005 51.339 32 HB2 LEU 21 HB1 LEU 21 -27.587 0.326 51.648 33 HB3 LEU 21 HB2 LEU 21 -27.518 -0.724 50.223 34 HG LEU 21 HG LEU 21 -29.029 0.942 49.069 35 HD11 LEU 21 HD11 LEU 21 -28.169 3.102 50.826 36 HD12 LEU 21 HD12 LEU 21 -29.314 1.995 51.584 37 HD13 LEU 21 HD13 LEU 21 -29.737 2.804 50.075 38 HD21 LEU 21 HD21 LEU 21 -26.881 2.683 49.329 39 HD22 LEU 21 HD22 LEU 21 -27.051 1.380 48.153 40 HD23 LEU 21 HD23 LEU 21 -26.206 1.090 49.674 41 H ASP 22 H ASP 22 -30.939 -0.406 49.247 42 HA ASP 22 HA ASP 22 -31.094 -3.237 48.569 43 HB2 ASP 22 HB1 ASP 22 -32.724 -0.819 48.015 44 HB3 ASP 22 HB2 ASP 22 -32.687 -2.048 46.743 45 HD2 ASP 22 HD ASP 22 -35.100 -2.685 49.619 46 H PHE 23 H PHE 23 -30.929 -0.338 46.511 47 HA PHE 23 HA PHE 23 -28.503 -1.214 45.241 48 HB2 PHE 23 HB1 PHE 23 -30.763 -2.381 44.253 49 HB3 PHE 23 HB2 PHE 23 -30.651 -0.943 43.236 50 HD1 PHE 23 HD1 PHE 23 -29.675 -1.321 41.206 51 HD2 PHE 23 HD2 PHE 23 -28.202 -3.408 44.610 52 HE1 PHE 23 HE1 PHE 23 -27.981 -2.415 39.797 53 HE2 PHE 23 HE2 PHE 23 -26.506 -4.505 43.207 54 HZ PHE 23 HZ PHE 23 -26.393 -4.009 40.797 55 H ASN 24 H ASN 24 -27.569 0.374 43.929 56 HA ASN 24 HA ASN 24 -29.023 2.882 43.574 57 HB2 ASN 24 HB1 ASN 24 -27.674 2.822 45.788 58 HB3 ASN 24 HB2 ASN 24 -26.253 2.958 44.743 59 HD21 ASN 24 HD21 ASN 24 -25.639 4.974 45.360 60 HD22 ASN 24 HD22 ASN 24 -26.561 6.398 45.033 61 H ASN 25 H ASN 25 -28.818 1.745 41.398 62 HA ASN 25 HA ASN 25 -26.390 2.743 40.078 63 HB2 ASN 25 HB1 ASN 25 -26.233 0.275 40.398 64 HB3 ASN 25 HB2 ASN 25 -27.710 0.095 39.446 65 HD21 ASN 25 HD21 ASN 25 -26.206 -1.275 38.176 66 HD22 ASN 25 HD22 ASN 25 -25.297 -0.514 36.919 67 H ILE 26 H ILE 26 -27.462 4.526 39.262 68 HA ILE 26 HA ILE 26 -29.471 3.928 37.195 69 HB ILE 26 HB ILE 26 -29.498 6.413 38.906 70 HG12 ILE 26 HG11 ILE 26 -31.803 5.027 39.480 71 HG13 ILE 26 HG12 ILE 26 -30.598 3.732 39.374 72 HG21 ILE 26 HG21 ILE 26 -30.602 7.028 37.003 73 HG22 ILE 26 HG22 ILE 26 -31.133 5.385 36.647 74 HG23 ILE 26 HG23 ILE 26 -31.938 6.317 37.908 75 HD11 ILE 26 HD11 ILE 26 -31.100 5.420 41.549 76 HD12 ILE 26 HD12 ILE 26 -29.813 4.226 41.379 77 HD13 ILE 26 HD13 ILE 26 -29.532 5.900 40.903 78 H ARG 27 H ARG 27 -28.083 4.063 35.474 79 HA ARG 27 HA ARG 27 -26.994 6.736 34.933 80 HB2 ARG 27 HB1 ARG 27 -24.976 5.750 33.953 81 HB3 ARG 27 HB2 ARG 27 -25.131 5.335 35.668 82 HG2 ARG 27 HG1 ARG 27 -25.013 3.174 35.205 83 HG3 ARG 27 HG2 ARG 27 -26.401 3.310 34.113 84 HD2 ARG 27 HD1 ARG 27 -25.061 3.698 32.235 85 HD3 ARG 27 HD2 ARG 27 -23.669 4.160 33.225 86 HE ARG 27 HE ARG 27 -24.353 1.534 32.378 87 HH11 ARG 27 HH11 ARG 27 -22.930 3.324 35.002 88 HH12 ARG 27 HH12 ARG 27 -21.952 2.002 35.546 89 HH21 ARG 27 HH21 ARG 27 -23.071 -0.216 33.085 90 HH22 ARG 27 HH22 ARG 27 -22.033 -0.011 34.456 91 H SER 28 H SER 28 -26.951 7.349 32.761 92 HA SER 28 HA SER 28 -28.086 5.492 30.805 93 HB2 SER 28 HB1 SER 28 -29.349 8.000 31.802 94 HB3 SER 28 HB2 SER 28 -29.441 7.684 30.062 95 HG SER 28 HG SER 28 -31.214 6.750 31.089 96 H SER 29 H SER 29 -27.083 5.605 28.900 97 HA SER 29 HA SER 29 -26.002 8.049 27.861 98 HB2 SER 29 HB1 SER 29 -24.318 6.485 29.521 99 HB3 SER 29 HB2 SER 29 -23.768 6.242 27.854 100 HG SER 29 HG SER 29 -24.020 8.678 29.272 101 H ALA 30 H ALA 30 -25.515 7.922 25.673 102 HA ALA 30 HA ALA 30 -25.347 5.422 24.288 103 HB1 ALA 30 HB1 ALA 30 -27.591 6.660 23.049 104 HB2 ALA 30 HB2 ALA 30 -27.474 5.058 23.778 105 HB3 ALA 30 HB3 ALA 30 -27.941 6.444 24.764 106 H ASP 31 H ASP 31 -26.654 8.635 23.458 107 HA ASP 31 HA ASP 31 -25.976 10.217 21.970 108 HB2 ASP 31 HB1 ASP 31 -23.533 9.136 23.113 109 HB3 ASP 31 HB2 ASP 31 -23.281 9.689 21.451 110 HD2 ASP 31 HD ASP 31 -23.253 12.394 24.117 111 H LEU 32 H LEU 32 -25.167 10.534 19.733 112 HA LEU 32 HA LEU 32 -24.504 8.343 18.075 113 HB2 LEU 32 HB1 LEU 32 -27.194 8.422 18.744 114 HB3 LEU 32 HB2 LEU 32 -27.122 9.204 17.154 115 HG LEU 32 HG LEU 32 -25.575 6.846 16.975 116 HD11 LEU 32 HD11 LEU 32 -28.096 6.534 18.547 117 HD12 LEU 32 HD12 LEU 32 -26.531 5.750 18.766 118 HD13 LEU 32 HD13 LEU 32 -27.582 5.264 17.436 119 HD21 LEU 32 HD21 LEU 32 -27.247 8.207 15.405 120 HD22 LEU 32 HD22 LEU 32 -28.339 6.920 15.915 121 HD23 LEU 32 HD23 LEU 32 -26.822 6.521 15.109 122 H HIS 33 H HIS 33 -23.895 8.999 16.038 123 HA HIS 33 HA HIS 33 -24.665 11.540 14.957 124 HB2 HIS 33 HB1 HIS 33 -22.458 12.577 14.961 125 HB3 HIS 33 HB2 HIS 33 -23.004 12.277 16.614 126 HD1 HIS 33 HD1 HIS 33 -20.354 11.330 14.196 127 HD2 HIS 33 HD2 HIS 33 -21.599 10.248 18.009 128 HE1 HIS 33 HE1 HIS 33 -18.469 9.974 15.159 129 HE2 HIS 33 HE2 HIS 33 -19.229 9.311 17.490 130 H GLY 34 H GLY 34 -22.759 12.011 13.118 131 HA2 GLY 34 HA2 GLY 34 -22.265 9.449 11.757 132 HA3 GLY 34 HA3 GLY 34 -23.141 10.718 10.915 133 HA1 GLY 34 HA1 GLY 34 -21.764 9.909 12.317 134 H ALA 35 H ALA 35 -20.647 9.495 10.138 135 HA ALA 35 HA ALA 35 -18.887 11.857 10.275 136 HB1 ALA 35 HB1 ALA 35 -18.314 9.267 11.133 137 HB2 ALA 35 HB2 ALA 35 -17.471 9.440 9.593 138 HB3 ALA 35 HB3 ALA 35 -17.171 10.590 10.896 139 H ARG 36 H ARG 36 -18.866 12.883 8.392 140 HA ARG 36 HA ARG 36 -18.588 11.331 5.930 141 HB2 ARG 36 HB1 ARG 36 -20.253 12.742 4.774 142 HB3 ARG 36 HB2 ARG 36 -20.968 11.775 6.073 143 HG2 ARG 36 HG1 ARG 36 -21.372 13.598 7.419 144 HG3 ARG 36 HG2 ARG 36 -20.105 14.568 6.649 145 HD2 ARG 36 HD1 ARG 36 -22.376 13.719 4.930 146 HD3 ARG 36 HD2 ARG 36 -22.710 14.936 6.171 147 HE ARG 36 HE ARG 36 -20.432 15.796 4.885 148 HH11 ARG 36 HH11 ARG 36 -23.715 15.060 3.991 149 HH12 ARG 36 HH12 ARG 36 -23.754 16.202 2.689 150 HH21 ARG 36 HH21 ARG 36 -20.472 17.303 3.174 151 HH22 ARG 36 HH22 ARG 36 -21.909 17.477 2.224 152 H LYS 37 H LYS 37 -18.017 12.777 4.056 153 HA LYS 37 HA LYS 37 -17.058 15.396 4.451 154 HB2 LYS 37 HB1 LYS 37 -15.392 13.583 5.637 155 HB3 LYS 37 HB2 LYS 37 -14.674 13.724 4.024 156 HG2 LYS 37 HG1 LYS 37 -13.552 15.444 4.925 157 HG3 LYS 37 HG2 LYS 37 -15.057 16.331 4.619 158 HD2 LYS 37 HD1 LYS 37 -15.334 14.957 7.102 159 HD3 LYS 37 HD2 LYS 37 -13.784 15.819 7.106 160 HE2 LYS 37 HE1 LYS 37 -16.262 17.222 6.158 161 HE3 LYS 37 HE2 LYS 37 -15.956 17.034 7.892 162 HZ1 LYS 37 HZ1 LYS 37 -14.428 18.625 7.844 163 HZ2 LYS 37 HZ2 LYS 37 -14.955 19.000 6.282 164 HZ3 LYS 37 HZ3 LYS 37 -13.641 17.959 6.502 165 H GLY 38 H GLY 38 -16.529 16.360 2.527 166 HA2 GLY 38 HA2 GLY 38 -17.138 14.853 0.143 167 HA3 GLY 38 HA3 GLY 38 -16.768 16.569 0.229 168 HA1 GLY 38 HA1 GLY 38 -16.523 14.504 0.668 169 H SER 39 H SER 39 -15.286 13.353 0.368 170 HA SER 39 HA SER 39 -12.997 14.413 -1.107 171 HB2 SER 39 HB1 SER 39 -12.902 13.807 1.669 172 HB3 SER 39 HB2 SER 39 -12.007 12.534 0.821 173 HG SER 39 HG SER 39 -11.586 15.265 0.239 174 H GLN 40 H GLN 40 -11.618 12.668 -1.996 175 HA GLN 40 HA GLN 40 -13.276 10.596 -3.106 176 HB2 GLN 40 HB1 GLN 40 -10.674 11.801 -3.669 177 HB3 GLN 40 HB2 GLN 40 -10.687 10.047 -3.902 178 HG2 GLN 40 HG1 GLN 40 -13.039 10.930 -5.105 179 HG3 GLN 40 HG2 GLN 40 -11.814 12.129 -5.546 180 HE21 GLN 40 HE21 GLN 40 -11.828 8.604 -5.111 181 HE22 GLN 40 HE22 GLN 40 -11.105 8.243 -6.638 182 H CYS 41 H CYS 41 -10.561 10.776 -0.856 183 HA CYS 41 HA CYS 41 -11.273 8.149 0.174 184 HB2 CYS 41 HB1 CYS 41 -9.039 7.249 0.030 185 HB3 CYS 41 HB2 CYS 41 -9.570 7.725 -1.585 186 H LEU 42 H LEU 42 -10.768 7.863 2.321 187 HA LEU 42 HA LEU 42 -10.206 10.255 3.812 188 HB2 LEU 42 HB1 LEU 42 -10.855 7.411 4.535 189 HB3 LEU 42 HB2 LEU 42 -10.328 8.574 5.765 190 HG LEU 42 HG LEU 42 -12.415 9.829 4.363 191 HD11 LEU 42 HD11 LEU 42 -13.051 7.651 3.464 192 HD12 LEU 42 HD12 LEU 42 -14.253 8.245 4.610 193 HD13 LEU 42 HD13 LEU 42 -13.116 6.989 5.098 194 HD21 LEU 42 HD21 LEU 42 -11.716 9.902 6.806 195 HD22 LEU 42 HD22 LEU 42 -12.660 8.427 7.010 196 HD23 LEU 42 HD23 LEU 42 -13.449 9.911 6.473 197 H SER 43 H SER 43 -8.488 7.327 2.943 198 HA SER 43 HA SER 43 -5.964 8.517 3.527 199 HB2 SER 43 HB1 SER 43 -5.650 6.244 5.097 200 HB3 SER 43 HB2 SER 43 -5.794 7.908 5.687 201 HG SER 43 HG SER 43 -7.325 6.454 6.642 202 H ASP 44 H ASP 44 -4.183 6.718 3.362 203 HA ASP 44 HA ASP 44 -4.315 5.614 0.816 204 HB2 ASP 44 HB1 ASP 44 -2.241 4.570 1.271 205 HB3 ASP 44 HB2 ASP 44 -2.246 6.054 2.234 206 HD2 ASP 44 HD ASP 44 -2.866 4.029 5.168 207 H THR 45 H THR 45 -5.433 4.367 3.846 208 HA THR 45 HA THR 45 -5.505 1.633 3.335 209 HB THR 45 HB THR 45 -7.445 1.566 4.925 210 HG1 THR 45 HG1 THR 45 -8.030 3.577 5.885 211 HG21 THR 45 HG21 THR 45 -5.967 3.055 6.686 212 HG22 THR 45 HG22 THR 45 -4.782 2.670 5.438 213 HG23 THR 45 HG23 THR 45 -5.649 1.374 6.260 214 H ASP 46 H ASP 46 -7.508 4.203 2.122 215 HA ASP 46 HA ASP 46 -9.680 2.590 1.242 216 HB2 ASP 46 HB1 ASP 46 -9.581 5.156 1.596 217 HB3 ASP 46 HB2 ASP 46 -8.903 5.198 -0.036 218 HD2 ASP 46 HD ASP 46 -12.509 5.473 -0.306 219 H CYS 47 H CYS 47 -6.574 3.416 -0.084 220 HA CYS 47 HA CYS 47 -7.284 2.277 -2.684 221 HB2 CYS 47 HB1 CYS 47 -4.874 3.807 -1.694 222 HB3 CYS 47 HB2 CYS 47 -4.922 3.033 -3.280 223 H ASN 48 H ASN 48 -5.585 0.837 -3.696 224 HA ASN 48 HA ASN 48 -5.344 -1.530 -2.268 225 HB2 ASN 48 HB1 ASN 48 -4.699 -0.609 -4.860 226 HB3 ASN 48 HB2 ASN 48 -3.223 -1.334 -4.208 227 HD21 ASN 48 HD21 ASN 48 -3.011 -3.460 -4.292 228 HD22 ASN 48 HD22 ASN 48 -4.276 -4.585 -4.638 229 H THR 49 H THR 49 -3.368 -2.662 -1.596 230 HA THR 49 HA THR 49 -1.914 -1.183 0.304 231 HB THR 49 HB THR 49 -1.276 -3.897 -0.865 232 HG1 THR 49 HG1 THR 49 -2.995 -2.985 1.151 233 HG21 THR 49 HG21 THR 49 0.668 -2.909 0.238 234 HG22 THR 49 HG22 THR 49 0.022 -4.246 1.189 235 HG23 THR 49 HG23 THR 49 -0.302 -2.583 1.674 236 H ARG 50 H ARG 50 -1.341 -1.853 -3.047 237 HA ARG 50 HA ARG 50 1.421 -0.897 -2.854 238 HB2 ARG 50 HB1 ARG 50 -0.139 -2.266 -5.046 239 HB3 ARG 50 HB2 ARG 50 1.454 -1.543 -5.324 240 HG2 ARG 50 HG1 ARG 50 0.857 -3.729 -3.327 241 HG3 ARG 50 HG2 ARG 50 1.588 -3.956 -4.926 242 HD2 ARG 50 HD1 ARG 50 3.369 -2.265 -4.142 243 HD3 ARG 50 HD2 ARG 50 2.733 -2.577 -2.519 244 HE ARG 50 HE ARG 50 4.368 -4.328 -4.099 245 HH11 ARG 50 HH11 ARG 50 1.999 -4.166 -1.553 246 HH12 ARG 50 HH12 ARG 50 2.477 -5.668 -0.834 247 HH21 ARG 50 HH21 ARG 50 5.006 -6.307 -3.162 248 HH22 ARG 50 HH22 ARG 50 4.189 -6.885 -1.749 249 H LYS 51 H LYS 51 -0.958 0.829 -2.538 250 HA LYS 51 HA LYS 51 -0.142 2.887 -4.416 251 HB2 LYS 51 HB1 LYS 51 -2.833 1.587 -4.420 252 HB3 LYS 51 HB2 LYS 51 -2.736 3.328 -4.725 253 HG2 LYS 51 HG1 LYS 51 -2.216 2.945 -6.841 254 HG3 LYS 51 HG2 LYS 51 -0.770 2.061 -6.325 255 HD2 LYS 51 HD1 LYS 51 -1.727 0.025 -6.622 256 HD3 LYS 51 HD2 LYS 51 -3.325 0.595 -6.110 257 HE2 LYS 51 HE1 LYS 51 -3.054 1.976 -8.423 258 HE3 LYS 51 HE2 LYS 51 -2.105 0.528 -8.796 259 HZ1 LYS 51 HZ1 LYS 51 -4.704 0.090 -7.559 260 HZ2 LYS 51 HZ2 LYS 51 -3.922 -0.788 -8.775 261 HZ3 LYS 51 HZ3 LYS 51 -4.717 0.658 -9.153 262 H PHE 52 H PHE 52 -0.697 5.000 -3.752 263 HA PHE 52 HA PHE 52 -1.652 5.174 -0.970 264 HB2 PHE 52 HB1 PHE 52 -0.231 7.263 -0.832 265 HB3 PHE 52 HB2 PHE 52 0.657 5.742 -0.947 266 HD1 PHE 52 HD1 PHE 52 2.137 5.302 -2.720 267 HD2 PHE 52 HD2 PHE 52 -0.448 8.679 -2.897 268 HE1 PHE 52 HE1 PHE 52 3.370 6.140 -4.678 269 HE2 PHE 52 HE2 PHE 52 0.780 9.521 -4.855 270 HZ PHE 52 HZ PHE 52 2.692 8.251 -5.748 271 H CYS 53 H CYS 53 -2.340 7.551 -0.476 272 HA CYS 53 HA CYS 53 -4.229 8.324 -2.590 273 HB2 CYS 53 HB1 CYS 53 -4.313 8.301 0.368 274 HB3 CYS 53 HB2 CYS 53 -5.064 9.700 -0.401 275 H LEU 54 H LEU 54 -3.100 9.737 -3.846 276 HA LEU 54 HA LEU 54 -1.450 11.801 -2.708 277 HB2 LEU 54 HB1 LEU 54 -0.945 10.724 -4.876 278 HB3 LEU 54 HB2 LEU 54 -2.419 11.449 -5.541 279 HG LEU 54 HG LEU 54 -1.120 13.657 -4.638 280 HD11 LEU 54 HD11 LEU 54 1.137 13.522 -4.749 281 HD12 LEU 54 HD12 LEU 54 1.115 12.229 -5.947 282 HD13 LEU 54 HD13 LEU 54 0.812 11.863 -4.249 283 HD21 LEU 54 HD21 LEU 54 -2.105 12.860 -6.959 284 HD22 LEU 54 HD22 LEU 54 -0.394 12.656 -7.341 285 HD23 LEU 54 HD23 LEU 54 -1.005 14.234 -6.843 286 H GLN 55 H GLN 55 -2.023 13.809 -2.171 287 HA GLN 55 HA GLN 55 -4.612 14.831 -3.128 288 HB2 GLN 55 HB1 GLN 55 -3.472 15.190 -0.347 289 HB3 GLN 55 HB2 GLN 55 -5.007 15.841 -0.940 290 HG2 GLN 55 HG1 GLN 55 -5.737 13.460 -1.352 291 HG3 GLN 55 HG2 GLN 55 -4.296 12.965 -0.453 292 HE21 GLN 55 HE21 GLN 55 -7.413 13.132 -0.076 293 HE22 GLN 55 HE22 GLN 55 -7.549 13.621 1.575 294 HA PRO 56 HA PRO 56 -1.396 17.881 -4.282 295 HB2 PRO 56 HB1 PRO 56 -2.682 18.694 -6.561 296 HB3 PRO 56 HB2 PRO 56 -1.641 17.274 -6.484 297 HG2 PRO 56 HG1 PRO 56 -4.628 17.453 -6.298 298 HG3 PRO 56 HG2 PRO 56 -3.612 16.308 -7.249 299 HD2 PRO 56 HD1 PRO 56 -4.780 15.622 -4.896 300 HD3 PRO 56 HD2 PRO 56 -3.209 14.981 -5.408 301 H ARG 57 H ARG 57 -1.437 20.144 -4.215 302 HA ARG 57 HA ARG 57 -3.684 21.259 -2.780 303 HB2 ARG 57 HB1 ARG 57 -1.086 21.685 -2.490 304 HB3 ARG 57 HB2 ARG 57 -1.394 22.934 -3.704 305 HG2 ARG 57 HG1 ARG 57 -2.513 24.262 -2.270 306 HG3 ARG 57 HG2 ARG 57 -3.270 22.893 -1.441 307 HD2 ARG 57 HD1 ARG 57 -1.699 22.844 0.157 308 HD3 ARG 57 HD2 ARG 57 -0.394 22.989 -1.028 309 HE ARG 57 HE ARG 57 -1.705 25.474 -0.719 310 HH11 ARG 57 HH11 ARG 57 0.489 23.318 0.911 311 HH12 ARG 57 HH12 ARG 57 1.273 24.579 1.803 312 HH21 ARG 57 HH21 ARG 57 -0.680 27.144 0.449 313 HH22 ARG 57 HH22 ARG 57 0.607 26.756 1.539 314 H ASP 58 H ASP 58 -2.321 21.403 -5.990 315 HA ASP 58 HA ASP 58 -4.021 23.617 -6.786 316 HB2 ASP 58 HB1 ASP 58 -2.894 23.565 -8.876 317 HB3 ASP 58 HB2 ASP 58 -1.662 23.265 -7.645 318 HD2 ASP 58 HD ASP 58 -2.221 20.562 -10.381 319 H GLU 59 H GLU 59 -4.065 20.171 -6.813 320 HA GLU 59 HA GLU 59 -6.503 20.226 -8.469 321 HB2 GLU 59 HB1 GLU 59 -4.107 18.710 -8.801 322 HB3 GLU 59 HB2 GLU 59 -5.421 17.596 -8.393 323 HG2 GLU 59 HG1 GLU 59 -6.327 19.499 -10.344 324 HG3 GLU 59 HG2 GLU 59 -4.836 18.717 -10.890 325 HE2 GLU 59 HE GLU 59 -6.526 15.850 -11.663 326 H LYS 60 H LYS 60 -7.717 17.982 -8.040 327 HA LYS 60 HA LYS 60 -8.372 18.048 -5.206 328 HB2 LYS 60 HB1 LYS 60 -9.708 17.073 -7.690 329 HB3 LYS 60 HB2 LYS 60 -10.152 16.313 -6.154 330 HG2 LYS 60 HG1 LYS 60 -11.370 18.063 -5.502 331 HG3 LYS 60 HG2 LYS 60 -10.118 19.216 -5.999 332 HD2 LYS 60 HD1 LYS 60 -10.861 18.841 -8.386 333 HD3 LYS 60 HD2 LYS 60 -12.240 17.950 -7.721 334 HE2 LYS 60 HE1 LYS 60 -12.138 20.362 -6.280 335 HE3 LYS 60 HE2 LYS 60 -11.850 20.792 -7.971 336 HZ1 LYS 60 HZ1 LYS 60 -14.105 19.073 -7.107 337 HZ2 LYS 60 HZ2 LYS 60 -13.879 19.794 -8.620 338 HZ3 LYS 60 HZ3 LYS 60 -14.232 20.752 -7.270 339 HA PRO 61 HA PRO 61 -6.486 14.257 -4.057 340 HB2 PRO 61 HB1 PRO 61 -8.350 13.146 -2.389 341 HB3 PRO 61 HB2 PRO 61 -7.380 14.554 -1.961 342 HG2 PRO 61 HG1 PRO 61 -10.177 14.428 -3.036 343 HG3 PRO 61 HG2 PRO 61 -9.520 15.421 -1.683 344 HD2 PRO 61 HD1 PRO 61 -9.974 16.438 -4.158 345 HD3 PRO 61 HD2 PRO 61 -8.641 16.988 -3.127 346 H PHE 62 H PHE 62 -6.252 12.233 -4.835 347 HA PHE 62 HA PHE 62 -8.483 10.622 -5.649 348 HB2 PHE 62 HB1 PHE 62 -8.054 10.497 -7.989 349 HB3 PHE 62 HB2 PHE 62 -8.158 12.210 -7.581 350 HD1 PHE 62 HD1 PHE 62 -5.976 13.481 -7.175 351 HD2 PHE 62 HD2 PHE 62 -6.164 9.688 -9.095 352 HE1 PHE 62 HE1 PHE 62 -3.764 13.883 -8.178 353 HE2 PHE 62 HE2 PHE 62 -3.952 10.083 -10.100 354 HZ PHE 62 HZ PHE 62 -2.749 12.182 -9.640 355 H CYS 63 H CYS 63 -7.758 8.505 -6.537 356 HA CYS 63 HA CYS 63 -5.509 7.554 -5.014 357 HB2 CYS 63 HB1 CYS 63 -7.754 6.351 -5.447 358 HB3 CYS 63 HB2 CYS 63 -7.062 5.927 -7.013 359 H ALA 64 H ALA 64 -3.484 7.521 -5.704 360 HA ALA 64 HA ALA 64 -2.987 7.442 -8.609 361 HB1 ALA 64 HB1 ALA 64 -1.876 9.343 -8.274 362 HB2 ALA 64 HB2 ALA 64 -1.943 9.161 -6.520 363 HB3 ALA 64 HB3 ALA 64 -0.660 8.375 -7.441 364 H THR 65 H THR 65 -1.053 6.324 -9.307 365 HA THR 65 HA THR 65 -0.751 3.803 -7.988 366 HB THR 65 HB THR 65 0.976 3.380 -9.788 367 HG1 THR 65 HG1 THR 65 1.115 4.936 -11.434 368 HG21 THR 65 HG21 THR 65 -1.711 4.337 -10.780 369 HG22 THR 65 HG22 THR 65 -1.426 2.778 -10.006 370 HG23 THR 65 HG23 THR 65 -0.659 3.150 -11.550 371 H CYS 66 H CYS 66 1.487 2.878 -7.624 372 HA CYS 66 HA CYS 66 2.825 4.459 -5.678 373 HB2 CYS 66 HB1 CYS 66 2.588 1.853 -5.919 374 HB3 CYS 66 HB2 CYS 66 4.062 2.007 -6.878 375 H ARG 67 H ARG 67 5.145 4.946 -5.692 376 HA ARG 67 HA ARG 67 5.929 6.036 -8.288 377 HB2 ARG 67 HB1 ARG 67 7.033 6.505 -5.508 378 HB3 ARG 67 HB2 ARG 67 7.614 7.305 -6.976 379 HG2 ARG 67 HG1 ARG 67 4.761 7.494 -6.023 380 HG3 ARG 67 HG2 ARG 67 6.028 8.643 -5.561 381 HD2 ARG 67 HD1 ARG 67 5.835 8.120 -8.455 382 HD3 ARG 67 HD2 ARG 67 4.423 8.907 -7.738 383 HE ARG 67 HE ARG 67 6.652 10.266 -6.805 384 HH11 ARG 67 HH11 ARG 67 5.111 9.617 -9.858 385 HH12 ARG 67 HH12 ARG 67 5.648 11.092 -10.591 386 HH21 ARG 67 HH21 ARG 67 7.364 12.213 -7.758 387 HH22 ARG 67 HH22 ARG 67 6.930 12.568 -9.396 388 H GLY 68 H GLY 68 7.769 5.470 -9.366 389 HA2 GLY 68 HA2 GLY 68 8.918 2.915 -8.713 390 HA3 GLY 68 HA3 GLY 68 9.322 3.918 -10.097 391 HA1 GLY 68 HA1 GLY 68 8.908 3.500 -8.055 392 H LEU 69 H LEU 69 11.396 2.718 -9.037 393 HA LEU 69 HA LEU 69 12.633 3.981 -6.840 394 HB2 LEU 69 HB1 LEU 69 13.644 2.303 -9.119 395 HB3 LEU 69 HB2 LEU 69 14.754 3.014 -7.934 396 HG LEU 69 HG LEU 69 12.524 1.080 -7.300 397 HD11 LEU 69 HD11 LEU 69 14.620 -0.322 -6.667 398 HD12 LEU 69 HD12 LEU 69 15.450 0.745 -7.800 399 HD13 LEU 69 HD13 LEU 69 14.096 -0.243 -8.349 400 HD21 LEU 69 HD21 LEU 69 13.965 0.994 -5.124 401 HD22 LEU 69 HD22 LEU 69 12.769 2.271 -5.347 402 HD23 LEU 69 HD23 LEU 69 14.479 2.603 -5.635 403 H ARG 70 H ARG 70 12.374 4.818 -10.190 404 HA ARG 70 HA ARG 70 14.480 6.826 -9.993 405 HB2 ARG 70 HB1 ARG 70 12.821 5.721 -12.241 406 HB3 ARG 70 HB2 ARG 70 13.690 7.250 -12.436 407 HG2 ARG 70 HG1 ARG 70 15.624 5.590 -11.401 408 HG3 ARG 70 HG2 ARG 70 14.692 4.520 -12.461 409 HD2 ARG 70 HD1 ARG 70 15.323 5.599 -14.357 410 HD3 ARG 70 HD2 ARG 70 15.345 7.180 -13.561 411 HE ARG 70 HE ARG 70 17.470 5.787 -12.500 412 HH11 ARG 70 HH11 ARG 70 16.450 6.826 -15.663 413 HH12 ARG 70 HH12 ARG 70 18.064 6.980 -16.275 414 HH21 ARG 70 HH21 ARG 70 19.599 5.985 -13.296 415 HH22 ARG 70 HH22 ARG 70 19.854 6.500 -14.929 416 H ARG 71 H ARG 71 11.603 6.790 -8.761 417 HA ARG 71 HA ARG 71 10.739 9.412 -9.766 418 HB2 ARG 71 HB1 ARG 71 9.290 7.233 -8.260 419 HB3 ARG 71 HB2 ARG 71 8.623 8.860 -8.456 420 HG2 ARG 71 HG1 ARG 71 9.375 7.009 -10.721 421 HG3 ARG 71 HG2 ARG 71 7.735 7.277 -10.106 422 HD2 ARG 71 HD1 ARG 71 8.275 9.802 -10.560 423 HD3 ARG 71 HD2 ARG 71 9.507 9.129 -11.638 424 HE ARG 71 HE ARG 71 7.185 7.819 -12.296 425 HH11 ARG 71 HH11 ARG 71 8.255 11.130 -12.182 426 HH12 ARG 71 HH12 ARG 71 7.217 11.646 -13.470 427 HH21 ARG 71 HH21 ARG 71 5.814 8.486 -13.991 428 HH22 ARG 71 HH22 ARG 71 5.828 10.142 -14.497 429 H ARG 72 H ARG 72 10.465 11.147 -8.399 430 HA ARG 72 HA ARG 72 12.112 11.210 -6.078 431 HB2 ARG 72 HB1 ARG 72 10.067 13.235 -7.020 432 HB3 ARG 72 HB2 ARG 72 11.359 13.522 -5.847 433 HG2 ARG 72 HG1 ARG 72 12.272 12.492 -8.446 434 HG3 ARG 72 HG2 ARG 72 11.525 14.098 -8.486 435 HD2 ARG 72 HD1 ARG 72 13.085 14.976 -6.916 436 HD3 ARG 72 HD2 ARG 72 13.684 13.358 -6.527 437 HE ARG 72 HE ARG 72 15.083 13.488 -8.325 438 HH11 ARG 72 HH11 ARG 72 12.548 15.845 -8.703 439 HH12 ARG 72 HH12 ARG 72 13.250 16.565 -10.113 440 HH21 ARG 72 HH21 ARG 72 16.017 14.430 -10.181 441 HH22 ARG 72 HH22 ARG 72 15.223 15.760 -10.954 442 H CYS 73 H CYS 73 11.417 11.809 -3.919 443 HA CYS 73 HA CYS 73 8.648 11.353 -3.206 444 HB2 CYS 73 HB1 CYS 73 9.157 9.556 -1.600 445 HB3 CYS 73 HB2 CYS 73 9.489 9.068 -3.262 446 H GLN 74 H GLN 74 8.150 11.989 -1.054 447 HA GLN 74 HA GLN 74 10.184 13.768 0.106 448 HB2 GLN 74 HB1 GLN 74 7.472 14.178 -0.557 449 HB3 GLN 74 HB2 GLN 74 7.558 14.160 1.212 450 HG2 GLN 74 HG1 GLN 74 8.882 16.034 1.323 451 HG3 GLN 74 HG2 GLN 74 9.528 15.792 -0.307 452 HE21 GLN 74 HE21 GLN 74 8.991 18.163 -0.289 453 HE22 GLN 74 HE22 GLN 74 7.417 18.612 -0.841 454 H ARG 75 H ARG 75 8.165 11.023 0.725 455 HA ARG 75 HA ARG 75 9.372 10.783 3.390 456 HB2 ARG 75 HB1 ARG 75 6.793 11.526 3.138 457 HB3 ARG 75 HB2 ARG 75 6.606 9.766 3.087 458 HG2 ARG 75 HG1 ARG 75 8.049 9.740 5.216 459 HG3 ARG 75 HG2 ARG 75 7.677 11.470 5.302 460 HD2 ARG 75 HD1 ARG 75 5.226 10.188 4.784 461 HD3 ARG 75 HD2 ARG 75 6.041 9.216 6.017 462 HE ARG 75 HE ARG 75 5.707 10.904 7.522 463 HH11 ARG 75 HH11 ARG 75 5.265 12.151 4.301 464 HH12 ARG 75 HH12 ARG 75 4.685 13.693 4.838 465 HH21 ARG 75 HH21 ARG 75 4.944 12.931 8.239 466 HH22 ARG 75 HH22 ARG 75 4.503 14.136 7.077 467 H ASP 76 H ASP 76 9.344 8.565 4.230 468 HA ASP 76 HA ASP 76 10.032 6.696 2.149 469 HB2 ASP 76 HB1 ASP 76 11.465 6.576 4.000 470 HB3 ASP 76 HB2 ASP 76 10.124 6.634 5.151 471 HD2 ASP 76 HD ASP 76 10.548 3.132 3.326 472 H ALA 77 H ALA 77 7.303 7.338 4.173 473 HA ALA 77 HA ALA 77 6.081 4.771 3.985 474 HB1 ALA 77 HB1 ALA 77 4.852 7.458 4.591 475 HB2 ALA 77 HB2 ALA 77 4.075 5.893 4.832 476 HB3 ALA 77 HB3 ALA 77 5.505 6.320 5.771 477 H MET 78 H MET 78 5.677 7.819 2.209 478 HA MET 78 HA MET 78 3.563 7.021 0.561 479 HB2 MET 78 HB1 MET 78 4.148 8.870 -0.867 480 HB3 MET 78 HB2 MET 78 4.378 9.358 0.818 481 HG2 MET 78 HG1 MET 78 6.465 9.946 0.386 482 HG3 MET 78 HG2 MET 78 6.829 8.286 -0.094 483 HE1 MET 78 HE1 MET 78 4.201 10.514 -2.321 484 HE2 MET 78 HE2 MET 78 5.106 11.483 -1.157 485 HE3 MET 78 HE3 MET 78 5.431 11.646 -2.883 486 H CYS 79 H CYS 79 6.883 6.140 0.533 487 HA CYS 79 HA CYS 79 6.875 5.267 -2.231 488 HB2 CYS 79 HB1 CYS 79 8.891 6.226 -0.985 489 HB3 CYS 79 HB2 CYS 79 8.984 4.670 -0.160 490 H CYS 80 H CYS 80 6.953 3.137 -2.934 491 HA CYS 80 HA CYS 80 5.338 1.284 -1.674 492 HB2 CYS 80 HB1 CYS 80 7.283 1.228 -3.901 493 HB3 CYS 80 HB2 CYS 80 6.932 -0.337 -3.167 494 HA PRO 81 HA PRO 81 7.674 -0.736 1.441 495 HB2 PRO 81 HB1 PRO 81 6.911 -3.351 1.154 496 HB3 PRO 81 HB2 PRO 81 5.853 -2.093 1.795 497 HG2 PRO 81 HG1 PRO 81 6.022 -3.200 -0.989 498 HG3 PRO 81 HG2 PRO 81 4.564 -2.858 0.017 499 HD2 PRO 81 HD1 PRO 81 5.404 -1.199 -1.960 500 HD3 PRO 81 HD2 PRO 81 4.630 -0.608 -0.479 501 H GLY 82 H GLY 82 9.530 -1.960 1.853 502 HA2 GLY 82 HA2 GLY 82 11.303 -3.412 1.310 503 HA3 GLY 82 HA3 GLY 82 10.757 -3.418 -0.360 504 HA1 GLY 82 HA1 GLY 82 11.196 -2.565 1.536 505 H THR 83 H THR 83 10.576 -0.363 -0.095 506 HA THR 83 HA THR 83 13.452 0.139 -0.508 507 HB THR 83 HB THR 83 12.818 1.921 -2.082 508 HG1 THR 83 HG1 THR 83 10.456 1.657 -2.778 509 HG21 THR 83 HG21 THR 83 12.233 -0.923 -2.489 510 HG22 THR 83 HG22 THR 83 13.200 0.187 -3.462 511 HG23 THR 83 HG23 THR 83 11.446 0.149 -3.648 512 H LEU 84 H LEU 84 13.929 2.594 -0.336 513 HA LEU 84 HA LEU 84 12.391 3.838 1.824 514 HB2 LEU 84 HB1 LEU 84 14.790 2.520 2.277 515 HB3 LEU 84 HB2 LEU 84 15.252 4.226 2.151 516 HG LEU 84 HG LEU 84 13.120 4.354 3.856 517 HD11 LEU 84 HD11 LEU 84 12.728 2.145 4.324 518 HD12 LEU 84 HD12 LEU 84 13.905 2.539 5.575 519 HD13 LEU 84 HD13 LEU 84 14.418 1.685 4.120 520 HD21 LEU 84 HD21 LEU 84 16.017 4.542 3.992 521 HD22 LEU 84 HD22 LEU 84 15.296 4.061 5.529 522 HD23 LEU 84 HD23 LEU 84 14.779 5.551 4.740 523 H CYS 85 H CYS 85 12.438 6.073 1.850 524 HA CYS 85 HA CYS 85 13.058 7.334 -0.638 525 HB2 CYS 85 HB1 CYS 85 11.152 7.888 1.005 526 HB3 CYS 85 HB2 CYS 85 12.373 8.784 1.912 527 H VAL 86 H VAL 86 15.120 7.680 -1.173 528 HA VAL 86 HA VAL 86 16.854 8.995 0.814 529 HB VAL 86 HB VAL 86 17.722 6.978 -1.261 530 HG11 VAL 86 HG11 VAL 86 19.936 7.187 -0.258 531 HG12 VAL 86 HG12 VAL 86 19.384 8.737 -0.896 532 HG13 VAL 86 HG13 VAL 86 19.330 8.427 0.839 533 HG21 VAL 86 HG21 VAL 86 16.647 6.584 1.304 534 HG22 VAL 86 HG22 VAL 86 17.431 5.392 0.268 535 HG23 VAL 86 HG23 VAL 86 18.382 6.298 1.444 536 H ASN 87 H ASN 87 17.937 10.773 0.151 537 HA ASN 87 HA ASN 87 18.437 12.599 -1.112 538 HB2 ASN 87 HB1 ASN 87 18.733 10.434 -3.211 539 HB3 ASN 87 HB2 ASN 87 19.244 12.109 -3.442 540 HD21 ASN 87 HD21 ASN 87 21.366 11.275 -3.781 541 HD22 ASN 87 HD22 ASN 87 22.366 10.864 -2.434 542 H ASP 88 H ASP 88 15.669 11.983 -0.819 543 HA ASP 88 HA ASP 88 13.645 12.697 -1.577 544 HB2 ASP 88 HB1 ASP 88 15.372 14.663 -2.289 545 HB3 ASP 88 HB2 ASP 88 14.738 14.203 -3.875 546 HD2 ASP 88 HD ASP 88 11.991 15.510 -1.320 547 H VAL 89 H VAL 89 15.001 10.314 -2.712 548 HA VAL 89 HA VAL 89 13.188 9.941 -4.968 549 HB VAL 89 HB VAL 89 16.132 9.291 -5.176 550 HG11 VAL 89 HG11 VAL 89 15.630 8.618 -7.450 551 HG12 VAL 89 HG12 VAL 89 14.651 7.688 -6.314 552 HG13 VAL 89 HG13 VAL 89 13.928 9.019 -7.218 553 HG21 VAL 89 HG21 VAL 89 14.472 11.538 -6.250 554 HG22 VAL 89 HG22 VAL 89 16.063 11.589 -5.490 555 HG23 VAL 89 HG23 VAL 89 15.890 10.974 -7.134 556 H CYS 90 H CYS 90 12.392 7.900 -5.128 557 HA CYS 90 HA CYS 90 12.549 6.181 -2.924 558 HB2 CYS 90 HB1 CYS 90 11.414 6.009 -5.678 559 HB3 CYS 90 HB2 CYS 90 11.586 4.508 -4.765 560 H THR 91 H THR 91 14.388 5.230 -2.318 561 HA THR 91 HA THR 91 15.917 3.758 -4.365 562 HB THR 91 HB THR 91 17.071 5.004 -1.864 563 HG1 THR 91 HG1 THR 91 16.432 6.583 -3.427 564 HG21 THR 91 HG21 THR 91 18.214 2.973 -2.787 565 HG22 THR 91 HG22 THR 91 19.212 4.428 -2.778 566 HG23 THR 91 HG23 THR 91 18.478 3.872 -4.282 567 H THR 92 H THR 92 16.012 1.635 -4.065 568 HA THR 92 HA THR 92 14.703 0.253 -2.065 569 HB THR 92 HB THR 92 16.999 -1.259 -2.980 570 HG1 THR 92 HG1 THR 92 17.134 -0.058 -4.793 571 HG21 THR 92 HG21 THR 92 14.643 -1.999 -2.245 572 HG22 THR 92 HG22 THR 92 15.376 -2.820 -3.622 573 HG23 THR 92 HG23 THR 92 14.154 -1.577 -3.885 574 H MET 93 H MET 93 15.347 -0.823 -0.189 575 HA MET 93 HA MET 93 17.163 0.518 1.467 576 HB2 MET 93 HB1 MET 93 15.305 -1.638 1.692 577 HB3 MET 93 HB2 MET 93 16.836 -2.146 2.417 578 HG2 MET 93 HG1 MET 93 16.163 0.542 3.233 579 HG3 MET 93 HG2 MET 93 14.853 -0.585 3.588 580 HE1 MET 93 HE1 MET 93 14.812 -0.358 5.896 581 HE2 MET 93 HE2 MET 93 14.956 -2.115 5.937 582 HE3 MET 93 HE3 MET 93 15.911 -1.125 7.043 583 H GLU 94 H GLU 94 17.506 -2.417 -0.466 584 HA GLU 94 HA GLU 94 20.015 -3.224 0.503 585 HB2 GLU 94 HB1 GLU 94 18.632 -3.656 -2.147 586 HB3 GLU 94 HB2 GLU 94 20.198 -4.384 -1.754 587 HG2 GLU 94 HG1 GLU 94 19.094 -5.406 0.274 588 HG3 GLU 94 HG2 GLU 94 17.554 -4.872 -0.415 589 HE2 GLU 94 HE GLU 94 19.471 -7.641 -2.532 590 H ASP 95 H ASP 95 19.084 -0.870 -1.914 591 HA ASP 95 HA ASP 95 21.768 -0.489 -2.888 592 HB2 ASP 95 HB1 ASP 95 19.122 0.860 -3.380 593 HB3 ASP 95 HB2 ASP 95 20.627 1.580 -3.972 594 HD2 ASP 95 HD ASP 95 20.852 -1.742 -5.744 595 H ALA 96 H ALA 96 19.618 1.064 -0.588 596 HA ALA 96 HA ALA 96 20.894 3.476 -0.175 597 HB1 ALA 96 HB1 ALA 96 19.517 1.694 1.829 598 HB2 ALA 96 HB2 ALA 96 19.987 3.366 2.140 599 HB3 ALA 96 HB3 ALA 96 18.798 3.002 0.888 600 H THR 97 H THR 97 21.541 0.390 1.484 601 HA THR 97 HA THR 97 24.257 1.369 2.053 602 HB THR 97 HB THR 97 23.175 1.568 4.158 603 HG1 THR 97 HG1 THR 97 24.764 0.534 5.084 604 HG21 THR 97 HG21 THR 97 21.684 -0.751 3.240 605 HG22 THR 97 HG22 THR 97 21.254 0.461 4.448 606 HG23 THR 97 HG23 THR 97 22.239 -0.928 4.904 607 H GLU 98 H GLU 98 25.493 0.136 0.775 608 HA GLU 98 HA GLU 98 24.829 -2.661 0.333 609 HB2 GLU 98 HB1 GLU 98 26.764 -0.718 -0.878 610 HB3 GLU 98 HB2 GLU 98 27.019 -2.457 -1.093 611 HG2 GLU 98 HG1 GLU 98 25.188 -2.721 -2.431 612 HG3 GLU 98 HG2 GLU 98 24.330 -1.358 -1.698 613 HE2 GLU 98 HE GLU 98 25.262 -0.048 -4.841 614 H ASN 99 H ASN 99 26.708 -4.244 0.371 615 HA ASN 99 HA ASN 99 27.647 -4.524 2.986 616 HB2 ASN 99 HB1 ASN 99 28.794 -5.779 0.476 617 HB3 ASN 99 HB2 ASN 99 29.007 -6.366 2.130 618 HD21 ASN 99 HD21 ASN 99 27.564 -7.731 2.955 619 HD22 ASN 99 HD22 ASN 99 26.072 -8.176 2.204 620 H LEU 100 H LEU 100 29.731 -4.350 3.888 621 HA LEU 100 HA LEU 100 31.416 -2.335 2.568 622 HB2 LEU 100 HB1 LEU 100 30.572 -2.806 5.330 623 HB3 LEU 100 HB2 LEU 100 32.313 -2.522 5.157 624 HG LEU 100 HG LEU 100 30.211 -0.649 4.083 625 HD11 LEU 100 HD11 LEU 100 31.644 -0.644 6.730 626 HD12 LEU 100 HD12 LEU 100 29.905 -0.689 6.444 627 HD13 LEU 100 HD13 LEU 100 30.826 0.764 6.052 628 HD21 LEU 100 HD21 LEU 100 32.819 0.414 4.780 629 HD22 LEU 100 HD22 LEU 100 31.899 0.565 3.282 630 HD23 LEU 100 HD23 LEU 100 32.918 -0.849 3.553 631 H TYR 101 H TYR 101 33.752 -2.517 2.868 632 HA TYR 101 HA TYR 101 34.939 -4.954 3.732 633 HB2 TYR 101 HB1 TYR 101 35.623 -5.906 1.663 634 HB3 TYR 101 HB2 TYR 101 33.884 -5.629 1.538 635 HD1 TYR 101 HD1 TYR 101 36.966 -5.186 -0.093 636 HD2 TYR 101 HD2 TYR 101 33.185 -3.319 0.475 637 HE1 TYR 101 HE1 TYR 101 37.303 -3.889 -2.156 638 HE2 TYR 101 HE2 TYR 101 33.513 -2.016 -1.586 639 HH TYR 101 HH TYR 101 34.798 -1.693 -3.375 640 H PHE 102 H PHE 102 37.227 -4.901 3.662 641 HA PHE 102 HA PHE 102 38.356 -2.279 2.931 642 HB2 PHE 102 HB1 PHE 102 39.828 -2.387 4.847 643 HB3 PHE 102 HB2 PHE 102 38.159 -2.571 5.388 644 HD1 PHE 102 HD1 PHE 102 41.416 -3.978 5.467 645 HD2 PHE 102 HD2 PHE 102 37.284 -4.952 5.767 646 HE1 PHE 102 HE1 PHE 102 41.997 -6.074 6.617 647 HE2 PHE 102 HE2 PHE 102 37.858 -7.050 6.917 648 HZ PHE 102 HZ PHE 102 40.217 -7.613 7.345 649 H GLN 103 H GLN 103 38.233 -4.771 1.386 650 HA GLN 103 HA GLN 103 39.558 -6.020 0.024 651 HB2 GLN 103 HB1 GLN 103 40.738 -3.516 0.192 652 HB3 GLN 103 HB2 GLN 103 42.073 -4.634 0.521 653 HG2 GLN 103 HG1 GLN 103 41.837 -5.713 -1.560 654 HG3 GLN 103 HG2 GLN 103 40.261 -4.962 -1.846 655 HE21 GLN 103 HE21 GLN 103 42.558 -4.925 -3.566 656 HE22 GLN 103 HE22 GLN 103 43.001 -3.269 -3.782 657 H SER 104 H SER 104 42.037 -6.979 0.041 658 HA SER 104 HA SER 104 42.269 -8.283 2.673 659 HB2 SER 104 HB1 SER 104 43.418 -9.511 0.191 660 HB3 SER 104 HB2 SER 104 42.779 -10.294 1.647 661 HG SER 104 HG SER 104 41.411 -9.299 -0.581 662 H LEU 105 H LEU 105 43.903 -7.428 3.778 663 HA LEU 105 HA LEU 105 46.469 -7.048 2.388 664 HB2 LEU 105 HB1 LEU 105 46.873 -5.138 4.001 665 HB3 LEU 105 HB2 LEU 105 45.700 -4.855 2.704 666 HG LEU 105 HG LEU 105 44.258 -5.796 4.954 667 HD11 LEU 105 HD11 LEU 105 44.927 -4.578 6.758 668 HD12 LEU 105 HD12 LEU 105 45.686 -3.327 5.775 669 HD13 LEU 105 HD13 LEU 105 46.499 -4.873 6.014 670 HD21 LEU 105 HD21 LEU 105 43.382 -3.402 4.842 671 HD22 LEU 105 HD22 LEU 105 43.211 -4.394 3.394 672 HD23 LEU 105 HD23 LEU 105 44.492 -3.186 3.488 673 H GLU 106 H GLU 106 48.355 -7.129 3.822 674 HA GLU 106 HA GLU 106 48.015 -8.281 6.446 675 HB2 GLU 106 HB1 GLU 106 48.584 -9.931 4.090 676 HB3 GLU 106 HB2 GLU 106 49.757 -10.136 5.400 677 HG2 GLU 106 HG1 GLU 106 47.871 -10.570 6.961 678 HG3 GLU 106 HG2 GLU 106 46.779 -10.516 5.571 679 HE2 GLU 106 HE GLU 106 48.787 -13.801 6.243 680 H HIS 107 H HIS 107 49.949 -8.323 7.669 681 HA HIS 107 HA HIS 107 52.150 -6.772 6.468 682 HB2 HIS 107 HB1 HIS 107 50.761 -6.572 9.088 683 HB3 HIS 107 HB2 HIS 107 52.510 -6.323 9.098 684 HD1 HIS 107 HD1 HIS 107 50.587 -5.176 6.123 685 HD2 HIS 107 HD2 HIS 107 52.161 -3.576 9.619 686 HE1 HIS 107 HE1 HIS 107 50.488 -2.681 5.825 687 HE2 HIS 107 HE2 HIS 107 51.448 -1.702 7.961 688 H HIS 108 H HIS 108 54.294 -7.248 7.192 689 HA HIS 108 HA HIS 108 54.696 -9.711 8.689 690 HB2 HIS 108 HB1 HIS 108 54.466 -10.092 6.092 691 HB3 HIS 108 HB2 HIS 108 56.126 -9.489 6.068 692 HD1 HIS 108 HD1 HIS 108 54.254 -12.539 6.498 693 HD2 HIS 108 HD2 HIS 108 57.898 -11.070 7.848 694 HE1 HIS 108 HE1 HIS 108 55.550 -14.555 7.263 695 HE2 HIS 108 HE2 HIS 108 57.777 -13.658 8.088 696 H HIS 109 H HIS 109 56.747 -9.900 9.603 697 HA HIS 109 HA HIS 109 58.895 -8.143 8.977 698 HB2 HIS 109 HB1 HIS 109 58.924 -6.768 10.949 699 HB3 HIS 109 HB2 HIS 109 57.356 -6.571 10.158 700 HD1 HIS 109 HD1 HIS 109 55.273 -7.591 11.342 701 HD2 HIS 109 HD2 HIS 109 58.810 -7.906 13.498 702 HE1 HIS 109 HE1 HIS 109 54.583 -8.215 13.679 703 HE2 HIS 109 HE2 HIS 109 56.744 -8.407 14.998 704 H HIS 110 H HIS 110 60.797 -8.839 9.857 705 HA HIS 110 HA HIS 110 60.752 -10.731 12.070 706 HB2 HIS 110 HB1 HIS 110 61.326 -11.436 9.253 707 HB3 HIS 110 HB2 HIS 110 62.467 -12.065 10.447 708 HD1 HIS 110 HD1 HIS 110 58.977 -12.471 9.239 709 HD2 HIS 110 HD2 HIS 110 61.406 -13.953 12.266 710 HE1 HIS 110 HE1 HIS 110 57.759 -14.468 10.161 711 HE2 HIS 110 HE2 HIS 110 59.243 -15.375 12.011 712 H HIS 111 H HIS 111 63.138 -9.874 9.570 713 HA HIS 111 HA HIS 111 65.241 -9.013 9.709 714 HB2 HIS 111 HB1 HIS 111 63.877 -7.567 11.980 715 HB3 HIS 111 HB2 HIS 111 65.558 -7.246 11.539 716 HD1 HIS 111 HD1 HIS 111 62.784 -7.809 9.039 717 HD2 HIS 111 HD2 HIS 111 65.222 -4.751 10.444 718 HE1 HIS 111 HE1 HIS 111 62.369 -5.859 7.505 719 HE2 HIS 111 HE2 HIS 111 63.860 -3.991 8.362 720 H HIS 112 H HIS 112 67.068 -8.524 11.525 721 HA HIS 112 HA HIS 112 67.140 -10.910 13.255 722 HB2 HIS 112 HB1 HIS 112 68.922 -10.102 11.136 723 HB3 HIS 112 HB2 HIS 112 69.794 -10.143 12.671 724 HD1 HIS 112 HD1 HIS 112 69.102 -12.269 9.961 725 HD2 HIS 112 HD2 HIS 112 69.076 -12.780 14.085 726 HE1 HIS 112 HE1 HIS 112 69.296 -14.749 10.333 727 HE2 HIS 112 HE2 HIS 112 69.279 -15.063 12.852 Start of MODEL 14 1 H1 MET 18 H MET 18 -47.941 -7.263 56.679 2 HA MET 18 HA MET 18 -45.850 -9.105 56.029 3 HB2 MET 18 HB1 MET 18 -48.164 -8.773 54.106 4 HB3 MET 18 HB2 MET 18 -46.609 -9.504 53.686 5 HG2 MET 18 HG1 MET 18 -48.100 -10.612 56.015 6 HG3 MET 18 HG2 MET 18 -48.685 -10.964 54.387 7 HE1 MET 18 HE1 MET 18 -48.335 -13.095 55.958 8 HE2 MET 18 HE2 MET 18 -47.108 -14.231 55.397 9 HE3 MET 18 HE3 MET 18 -46.799 -13.230 56.815 10 H LEU 19 H LEU 19 -47.838 -6.507 54.612 11 HA LEU 19 HA LEU 19 -47.288 -4.521 53.653 12 HB2 LEU 19 HB1 LEU 19 -45.837 -4.667 55.945 13 HB3 LEU 19 HB2 LEU 19 -44.556 -4.450 54.740 14 HG LEU 19 HG LEU 19 -46.016 -2.438 53.949 15 HD11 LEU 19 HD11 LEU 19 -47.876 -3.141 55.539 16 HD12 LEU 19 HD12 LEU 19 -47.414 -1.440 55.546 17 HD13 LEU 19 HD13 LEU 19 -46.855 -2.510 56.831 18 HD21 LEU 19 HD21 LEU 19 -44.578 -2.188 56.579 19 HD22 LEU 19 HD22 LEU 19 -44.725 -0.986 55.297 20 HD23 LEU 19 HD23 LEU 19 -43.740 -2.429 55.047 21 H VAL 20 H VAL 20 -47.153 -5.006 51.516 22 HA VAL 20 HA VAL 20 -45.079 -6.464 50.293 23 HB VAL 20 HB VAL 20 -45.910 -5.426 48.159 24 HG11 VAL 20 HG11 VAL 20 -48.350 -6.357 49.535 25 HG12 VAL 20 HG12 VAL 20 -47.587 -6.938 48.053 26 HG13 VAL 20 HG13 VAL 20 -46.950 -7.425 49.624 27 HG21 VAL 20 HG21 VAL 20 -47.995 -4.157 49.926 28 HG22 VAL 20 HG22 VAL 20 -46.620 -3.283 49.249 29 HG23 VAL 20 HG23 VAL 20 -47.823 -3.999 48.177 30 H LEU 21 H LEU 21 -43.246 -5.841 49.197 31 HA LEU 21 HA LEU 21 -42.054 -3.361 50.047 32 HB2 LEU 21 HB1 LEU 21 -41.061 -5.601 48.283 33 HB3 LEU 21 HB2 LEU 21 -40.096 -4.181 48.726 34 HG LEU 21 HG LEU 21 -41.221 -6.110 50.748 35 HD11 LEU 21 HD11 LEU 21 -38.340 -6.119 50.094 36 HD12 LEU 21 HD12 LEU 21 -39.422 -6.886 48.933 37 HD13 LEU 21 HD13 LEU 21 -39.395 -7.437 50.607 38 HD21 LEU 21 HD21 LEU 21 -40.505 -3.682 51.310 39 HD22 LEU 21 HD22 LEU 21 -38.866 -4.300 51.103 40 HD23 LEU 21 HD23 LEU 21 -39.928 -5.008 52.319 41 H ASP 22 H ASP 22 -41.697 -1.557 48.868 42 HA ASP 22 HA ASP 22 -43.225 -1.151 46.497 43 HB2 ASP 22 HB1 ASP 22 -42.267 0.497 48.433 44 HB3 ASP 22 HB2 ASP 22 -41.104 0.804 47.137 45 HD2 ASP 22 HD ASP 22 -44.038 2.970 46.746 46 H PHE 23 H PHE 23 -41.903 0.222 44.704 47 HA PHE 23 HA PHE 23 -39.439 -1.176 44.003 48 HB2 PHE 23 HB1 PHE 23 -42.032 -1.600 42.722 49 HB3 PHE 23 HB2 PHE 23 -40.784 -1.100 41.579 50 HD1 PHE 23 HD1 PHE 23 -39.091 -2.571 40.873 51 HD2 PHE 23 HD2 PHE 23 -41.619 -3.644 44.125 52 HE1 PHE 23 HE1 PHE 23 -38.199 -4.863 40.805 53 HE2 PHE 23 HE2 PHE 23 -40.730 -5.937 44.063 54 HZ PHE 23 HZ PHE 23 -39.017 -6.549 42.403 55 H ASN 24 H ASN 24 -38.638 -0.234 41.786 56 HA ASN 24 HA ASN 24 -39.387 2.442 41.161 57 HB2 ASN 24 HB1 ASN 24 -37.582 3.677 42.026 58 HB3 ASN 24 HB2 ASN 24 -38.090 2.642 43.366 59 HD21 ASN 24 HD21 ASN 24 -35.501 3.901 42.804 60 HD22 ASN 24 HD22 ASN 24 -34.349 2.614 42.791 61 H ASN 25 H ASN 25 -37.757 3.446 39.613 62 HA ASN 25 HA ASN 25 -35.871 1.740 38.321 63 HB2 ASN 25 HB1 ASN 25 -37.040 1.591 36.139 64 HB3 ASN 25 HB2 ASN 25 -37.873 0.700 37.418 65 HD21 ASN 25 HD21 ASN 25 -39.954 0.792 36.942 66 HD22 ASN 25 HD22 ASN 25 -40.845 2.231 36.595 67 H ILE 26 H ILE 26 -34.764 2.796 36.567 68 HA ILE 26 HA ILE 26 -35.186 5.714 36.536 69 HB ILE 26 HB ILE 26 -32.555 4.247 36.305 70 HG12 ILE 26 HG11 ILE 26 -33.509 6.086 38.508 71 HG13 ILE 26 HG12 ILE 26 -33.630 4.320 38.593 72 HG21 ILE 26 HG21 ILE 26 -33.372 7.051 35.849 73 HG22 ILE 26 HG22 ILE 26 -31.862 6.795 36.720 74 HG23 ILE 26 HG23 ILE 26 -32.077 6.110 35.109 75 HD11 ILE 26 HD11 ILE 26 -31.152 4.215 38.284 76 HD12 ILE 26 HD12 ILE 26 -31.124 5.969 38.470 77 HD13 ILE 26 HD13 ILE 26 -31.689 4.951 39.794 78 H ARG 27 H ARG 27 -34.154 2.886 34.690 79 HA ARG 27 HA ARG 27 -34.141 2.439 32.461 80 HB2 ARG 27 HB1 ARG 27 -36.365 4.219 32.897 81 HB3 ARG 27 HB2 ARG 27 -35.645 4.524 31.310 82 HG2 ARG 27 HG1 ARG 27 -36.411 2.609 30.444 83 HG3 ARG 27 HG2 ARG 27 -36.004 1.689 31.902 84 HD2 ARG 27 HD1 ARG 27 -38.288 1.540 31.997 85 HD3 ARG 27 HD2 ARG 27 -38.040 3.037 32.907 86 HE ARG 27 HE ARG 27 -38.334 3.872 30.330 87 HH11 ARG 27 HH11 ARG 27 -40.222 1.912 32.501 88 HH12 ARG 27 HH12 ARG 27 -41.740 2.365 31.798 89 HH21 ARG 27 HH21 ARG 27 -40.325 4.476 29.396 90 HH22 ARG 27 HH22 ARG 27 -41.797 3.822 30.031 91 H SER 28 H SER 28 -33.712 3.540 30.224 92 HA SER 28 HA SER 28 -32.255 6.004 30.275 93 HB2 SER 28 HB1 SER 28 -30.774 3.374 30.185 94 HB3 SER 28 HB2 SER 28 -30.097 4.846 29.465 95 HG SER 28 HG SER 28 -29.440 5.276 31.407 96 H SER 29 H SER 29 -31.882 6.817 28.232 97 HA SER 29 HA SER 29 -32.995 5.213 26.027 98 HB2 SER 29 HB1 SER 29 -32.702 8.131 25.636 99 HB3 SER 29 HB2 SER 29 -34.055 7.058 25.232 100 HG SER 29 HG SER 29 -34.912 8.091 26.883 101 H ALA 30 H ALA 30 -32.142 6.286 23.821 102 HA ALA 30 HA ALA 30 -29.338 6.968 23.895 103 HB1 ALA 30 HB1 ALA 30 -29.115 4.593 24.114 104 HB2 ALA 30 HB2 ALA 30 -30.233 4.315 22.779 105 HB3 ALA 30 HB3 ALA 30 -28.656 5.043 22.471 106 H ASP 31 H ASP 31 -28.544 6.681 21.391 107 HA ASP 31 HA ASP 31 -30.667 7.657 19.625 108 HB2 ASP 31 HB1 ASP 31 -29.175 9.501 20.823 109 HB3 ASP 31 HB2 ASP 31 -28.046 9.080 19.528 110 HD2 ASP 31 HD ASP 31 -30.230 10.363 17.079 111 H LEU 32 H LEU 32 -30.300 7.313 17.423 112 HA LEU 32 HA LEU 32 -27.844 5.929 16.652 113 HB2 LEU 32 HB1 LEU 32 -30.148 4.525 17.247 114 HB3 LEU 32 HB2 LEU 32 -30.213 4.701 15.484 115 HG LEU 32 HG LEU 32 -27.760 3.794 15.595 116 HD11 LEU 32 HD11 LEU 32 -28.102 3.878 18.231 117 HD12 LEU 32 HD12 LEU 32 -27.089 2.669 17.445 118 HD13 LEU 32 HD13 LEU 32 -28.733 2.258 17.932 119 HD21 LEU 32 HD21 LEU 32 -28.949 1.406 15.867 120 HD22 LEU 32 HD22 LEU 32 -29.094 2.400 14.416 121 HD23 LEU 32 HD23 LEU 32 -30.374 2.419 15.630 122 H HIS 33 H HIS 33 -28.407 5.237 14.108 123 HA HIS 33 HA HIS 33 -28.492 6.059 11.988 124 HB2 HIS 33 HB1 HIS 33 -30.934 6.310 12.789 125 HB3 HIS 33 HB2 HIS 33 -30.564 8.032 12.923 126 HD1 HIS 33 HD1 HIS 33 -31.570 9.164 10.974 127 HD2 HIS 33 HD2 HIS 33 -29.785 5.565 9.914 128 HE1 HIS 33 HE1 HIS 33 -31.796 9.012 8.474 129 HE2 HIS 33 HE2 HIS 33 -30.705 6.813 7.825 130 H GLY 34 H GLY 34 -26.419 6.956 11.991 131 HA2 GLY 34 HA2 GLY 34 -26.312 9.761 11.518 132 HA3 GLY 34 HA3 GLY 34 -25.613 9.368 13.083 133 HA1 GLY 34 HA1 GLY 34 -26.230 8.997 11.081 134 H ALA 35 H ALA 35 -25.015 9.679 9.801 135 HA ALA 35 HA ALA 35 -22.404 8.359 10.121 136 HB1 ALA 35 HB1 ALA 35 -24.471 7.675 8.264 137 HB2 ALA 35 HB2 ALA 35 -23.054 8.257 7.388 138 HB3 ALA 35 HB3 ALA 35 -22.902 6.910 8.517 139 H ARG 36 H ARG 36 -20.752 9.687 9.774 140 HA ARG 36 HA ARG 36 -21.157 12.018 8.022 141 HB2 ARG 36 HB1 ARG 36 -20.320 11.906 10.839 142 HB3 ARG 36 HB2 ARG 36 -19.271 12.889 9.808 143 HG2 ARG 36 HG1 ARG 36 -21.498 13.954 8.982 144 HG3 ARG 36 HG2 ARG 36 -22.147 13.288 10.490 145 HD2 ARG 36 HD1 ARG 36 -20.909 14.686 11.820 146 HD3 ARG 36 HD2 ARG 36 -19.601 14.810 10.636 147 HE ARG 36 HE ARG 36 -21.628 16.102 9.413 148 HH11 ARG 36 HH11 ARG 36 -20.222 16.359 12.586 149 HH12 ARG 36 HH12 ARG 36 -20.575 18.047 12.749 150 HH21 ARG 36 HH21 ARG 36 -22.099 18.325 9.614 151 HH22 ARG 36 HH22 ARG 36 -21.644 19.164 11.058 152 H LYS 37 H LYS 37 -19.725 12.159 6.428 153 HA LYS 37 HA LYS 37 -17.361 10.436 6.506 154 HB2 LYS 37 HB1 LYS 37 -18.424 12.025 4.162 155 HB3 LYS 37 HB2 LYS 37 -17.263 10.688 4.122 156 HG2 LYS 37 HG1 LYS 37 -18.946 9.097 4.722 157 HG3 LYS 37 HG2 LYS 37 -20.120 10.390 5.016 158 HD2 LYS 37 HD1 LYS 37 -20.651 9.484 2.887 159 HD3 LYS 37 HD2 LYS 37 -19.852 11.038 2.591 160 HE2 LYS 37 HE1 LYS 37 -17.675 9.608 2.445 161 HE3 LYS 37 HE2 LYS 37 -18.801 8.266 2.184 162 HZ1 LYS 37 HZ1 LYS 37 -17.999 10.326 0.380 163 HZ2 LYS 37 HZ2 LYS 37 -19.683 10.232 0.501 164 HZ3 LYS 37 HZ3 LYS 37 -18.790 8.865 0.060 165 H GLY 38 H GLY 38 -15.612 11.622 4.853 166 HA2 GLY 38 HA2 GLY 38 -15.209 14.399 5.487 167 HA3 GLY 38 HA3 GLY 38 -14.137 13.330 6.380 168 HA1 GLY 38 HA1 GLY 38 -15.411 13.911 4.779 169 H SER 39 H SER 39 -14.737 14.903 3.413 170 HA SER 39 HA SER 39 -13.560 15.080 1.475 171 HB2 SER 39 HB1 SER 39 -11.718 15.357 3.293 172 HB3 SER 39 HB2 SER 39 -11.226 13.726 2.801 173 HG SER 39 HG SER 39 -10.083 15.113 1.527 174 H GLN 40 H GLN 40 -11.815 13.584 0.106 175 HA GLN 40 HA GLN 40 -13.379 11.408 -0.786 176 HB2 GLN 40 HB1 GLN 40 -11.466 12.883 -1.934 177 HB3 GLN 40 HB2 GLN 40 -10.484 11.490 -1.454 178 HG2 GLN 40 HG1 GLN 40 -11.278 11.253 -3.741 179 HG3 GLN 40 HG2 GLN 40 -11.951 10.000 -2.689 180 HE21 GLN 40 HE21 GLN 40 -13.698 9.609 -4.017 181 HE22 GLN 40 HE22 GLN 40 -15.007 10.723 -4.188 182 H CYS 41 H CYS 41 -10.632 11.658 1.380 183 HA CYS 41 HA CYS 41 -11.160 9.023 2.417 184 HB2 CYS 41 HB1 CYS 41 -9.020 8.041 1.969 185 HB3 CYS 41 HB2 CYS 41 -9.701 8.580 0.433 186 H LEU 42 H LEU 42 -10.433 8.772 4.492 187 HA LEU 42 HA LEU 42 -9.468 11.171 5.797 188 HB2 LEU 42 HB1 LEU 42 -10.642 8.573 6.658 189 HB3 LEU 42 HB2 LEU 42 -9.628 9.455 7.815 190 HG LEU 42 HG LEU 42 -11.686 11.114 6.561 191 HD11 LEU 42 HD11 LEU 42 -12.536 8.873 8.390 192 HD12 LEU 42 HD12 LEU 42 -12.885 8.962 6.663 193 HD13 LEU 42 HD13 LEU 42 -13.555 10.169 7.762 194 HD21 LEU 42 HD21 LEU 42 -10.395 11.934 8.402 195 HD22 LEU 42 HD22 LEU 42 -10.813 10.531 9.386 196 HD23 LEU 42 HD23 LEU 42 -12.055 11.706 8.952 197 H SER 43 H SER 43 -8.245 8.087 4.791 198 HA SER 43 HA SER 43 -5.555 8.899 5.453 199 HB2 SER 43 HB1 SER 43 -6.083 7.927 7.573 200 HB3 SER 43 HB2 SER 43 -6.854 6.528 6.804 201 HG SER 43 HG SER 43 -4.475 6.515 7.622 202 H ASP 44 H ASP 44 -3.936 7.468 4.533 203 HA ASP 44 HA ASP 44 -4.482 6.695 1.925 204 HB2 ASP 44 HB1 ASP 44 -2.309 5.320 2.181 205 HB3 ASP 44 HB2 ASP 44 -2.223 7.072 2.407 206 HD2 ASP 44 HD ASP 44 -1.190 4.781 5.373 207 H THR 45 H THR 45 -4.852 4.931 4.894 208 HA THR 45 HA THR 45 -4.859 2.305 3.969 209 HB THR 45 HB THR 45 -6.895 2.981 6.014 210 HG1 THR 45 HG1 THR 45 -4.110 3.483 6.365 211 HG21 THR 45 HG21 THR 45 -5.526 1.185 7.221 212 HG22 THR 45 HG22 THR 45 -4.677 0.978 5.688 213 HG23 THR 45 HG23 THR 45 -6.414 0.692 5.780 214 H ASP 46 H ASP 46 -7.194 4.828 3.558 215 HA ASP 46 HA ASP 46 -9.408 3.140 2.912 216 HB2 ASP 46 HB1 ASP 46 -9.086 5.828 3.476 217 HB3 ASP 46 HB2 ASP 46 -9.467 5.824 1.750 218 HD2 ASP 46 HD ASP 46 -12.759 5.096 2.341 219 H CYS 47 H CYS 47 -6.742 4.512 1.149 220 HA CYS 47 HA CYS 47 -7.804 4.253 -1.460 221 HB2 CYS 47 HB1 CYS 47 -5.396 5.149 -0.279 222 HB3 CYS 47 HB2 CYS 47 -4.948 3.890 -1.431 223 H ASN 48 H ASN 48 -6.378 2.001 0.757 224 HA ASN 48 HA ASN 48 -6.073 -0.251 0.681 225 HB2 ASN 48 HB1 ASN 48 -8.402 0.241 -0.758 226 HB3 ASN 48 HB2 ASN 48 -7.451 -0.797 -1.829 227 HD21 ASN 48 HD21 ASN 48 -8.169 -2.790 -1.651 228 HD22 ASN 48 HD22 ASN 48 -8.508 -3.620 -0.175 229 H THR 49 H THR 49 -5.097 -2.034 -0.632 230 HA THR 49 HA THR 49 -3.420 -2.841 -1.944 231 HB THR 49 HB THR 49 -3.448 -0.667 -3.927 232 HG1 THR 49 HG1 THR 49 -5.535 -0.664 -4.310 233 HG21 THR 49 HG21 THR 49 -2.450 -2.525 -4.791 234 HG22 THR 49 HG22 THR 49 -4.111 -2.874 -5.273 235 HG23 THR 49 HG23 THR 49 -3.433 -3.632 -3.833 236 H ARG 50 H ARG 50 -1.318 -2.008 -3.193 237 HA ARG 50 HA ARG 50 0.180 -0.562 -1.211 238 HB2 ARG 50 HB1 ARG 50 2.099 -0.940 -2.770 239 HB3 ARG 50 HB2 ARG 50 1.259 -2.418 -2.278 240 HG2 ARG 50 HG1 ARG 50 -0.011 -1.543 -4.635 241 HG3 ARG 50 HG2 ARG 50 1.734 -1.407 -4.907 242 HD2 ARG 50 HD1 ARG 50 2.089 -3.712 -4.352 243 HD3 ARG 50 HD2 ARG 50 0.418 -3.876 -3.794 244 HE ARG 50 HE ARG 50 0.623 -3.093 -6.549 245 HH11 ARG 50 HH11 ARG 50 0.612 -5.782 -4.338 246 HH12 ARG 50 HH12 ARG 50 0.085 -6.927 -5.528 247 HH21 ARG 50 HH21 ARG 50 -0.071 -4.590 -8.124 248 HH22 ARG 50 HH22 ARG 50 -0.302 -6.248 -7.680 249 H LYS 51 H LYS 51 -1.443 1.314 -1.715 250 HA LYS 51 HA LYS 51 0.041 3.229 -3.335 251 HB2 LYS 51 HB1 LYS 51 -2.944 2.851 -3.669 252 HB3 LYS 51 HB2 LYS 51 -1.913 4.004 -4.533 253 HG2 LYS 51 HG1 LYS 51 -0.721 2.150 -5.604 254 HG3 LYS 51 HG2 LYS 51 -1.769 1.002 -4.750 255 HD2 LYS 51 HD1 LYS 51 -3.599 1.468 -6.046 256 HD3 LYS 51 HD2 LYS 51 -3.078 3.133 -6.357 257 HE2 LYS 51 HE1 LYS 51 -1.815 2.561 -8.160 258 HE3 LYS 51 HE2 LYS 51 -1.353 1.003 -7.457 259 HZ1 LYS 51 HZ1 LYS 51 -3.355 1.535 -9.349 260 HZ2 LYS 51 HZ2 LYS 51 -4.095 0.919 -7.958 261 HZ3 LYS 51 HZ3 LYS 51 -2.870 0.040 -8.724 262 H PHE 52 H PHE 52 -0.481 5.445 -2.850 263 HA PHE 52 HA PHE 52 -1.569 5.740 -0.137 264 HB2 PHE 52 HB1 PHE 52 -0.346 7.955 -0.182 265 HB3 PHE 52 HB2 PHE 52 0.678 6.517 -0.222 266 HD1 PHE 52 HD1 PHE 52 -0.852 9.075 -2.436 267 HD2 PHE 52 HD2 PHE 52 2.256 6.217 -1.901 268 HE1 PHE 52 HE1 PHE 52 0.243 9.890 -4.482 269 HE2 PHE 52 HE2 PHE 52 3.357 7.028 -3.946 270 HZ PHE 52 HZ PHE 52 2.351 8.867 -5.239 271 H CYS 53 H CYS 53 -2.505 8.029 0.241 272 HA CYS 53 HA CYS 53 -4.593 8.411 -1.762 273 HB2 CYS 53 HB1 CYS 53 -4.441 8.598 1.092 274 HB3 CYS 53 HB2 CYS 53 -4.940 10.164 0.450 275 H LEU 54 H LEU 54 -3.578 9.556 -3.389 276 HA LEU 54 HA LEU 54 -2.037 11.915 -2.846 277 HB2 LEU 54 HB1 LEU 54 -1.653 10.418 -4.797 278 HB3 LEU 54 HB2 LEU 54 -3.201 10.969 -5.461 279 HG LEU 54 HG LEU 54 -2.174 13.325 -5.375 280 HD11 LEU 54 HD11 LEU 54 -0.218 12.384 -3.968 281 HD12 LEU 54 HD12 LEU 54 0.122 13.574 -5.224 282 HD13 LEU 54 HD13 LEU 54 0.432 11.863 -5.523 283 HD21 LEU 54 HD21 LEU 54 -2.287 11.368 -7.321 284 HD22 LEU 54 HD22 LEU 54 -0.613 11.920 -7.382 285 HD23 LEU 54 HD23 LEU 54 -1.932 13.077 -7.576 286 H GLN 55 H GLN 55 -2.727 13.948 -2.655 287 HA GLN 55 HA GLN 55 -5.401 14.640 -3.652 288 HB2 GLN 55 HB1 GLN 55 -4.312 15.497 -0.961 289 HB3 GLN 55 HB2 GLN 55 -5.911 15.862 -1.627 290 HG2 GLN 55 HG1 GLN 55 -6.043 13.203 -1.734 291 HG3 GLN 55 HG2 GLN 55 -4.892 13.372 -0.401 292 HE21 GLN 55 HE21 GLN 55 -5.732 15.529 0.938 293 HE22 GLN 55 HE22 GLN 55 -7.327 15.292 1.558 294 HA PRO 56 HA PRO 56 -2.379 17.706 -5.216 295 HB2 PRO 56 HB1 PRO 56 -3.704 18.124 -7.577 296 HB3 PRO 56 HB2 PRO 56 -2.575 16.795 -7.316 297 HG2 PRO 56 HG1 PRO 56 -5.570 16.808 -7.143 298 HG3 PRO 56 HG2 PRO 56 -4.479 15.613 -7.938 299 HD2 PRO 56 HD1 PRO 56 -5.611 15.175 -5.508 300 HD3 PRO 56 HD2 PRO 56 -4.000 14.572 -5.937 301 H ARG 57 H ARG 57 -2.551 19.945 -5.397 302 HA ARG 57 HA ARG 57 -4.897 21.090 -4.154 303 HB2 ARG 57 HB1 ARG 57 -2.401 21.708 -3.760 304 HB3 ARG 57 HB2 ARG 57 -2.593 22.690 -5.221 305 HG2 ARG 57 HG1 ARG 57 -4.421 23.929 -4.176 306 HG3 ARG 57 HG2 ARG 57 -4.242 22.944 -2.714 307 HD2 ARG 57 HD1 ARG 57 -1.800 23.743 -2.687 308 HD3 ARG 57 HD2 ARG 57 -2.334 24.961 -3.853 309 HE ARG 57 HE ARG 57 -2.826 24.952 -1.043 310 HH11 ARG 57 HH11 ARG 57 -4.130 25.935 -4.117 311 HH12 ARG 57 HH12 ARG 57 -5.067 27.233 -3.453 312 HH21 ARG 57 HH21 ARG 57 -4.054 26.658 -0.157 313 HH22 ARG 57 HH22 ARG 57 -5.022 27.643 -1.199 314 H ASP 58 H ASP 58 -3.453 20.928 -7.327 315 HA ASP 58 HA ASP 58 -5.235 22.938 -8.423 316 HB2 ASP 58 HB1 ASP 58 -3.212 21.122 -9.762 317 HB3 ASP 58 HB2 ASP 58 -4.114 22.408 -10.571 318 HD2 ASP 58 HD ASP 58 -2.072 24.875 -9.282 319 H GLU 59 H GLU 59 -5.119 19.516 -8.027 320 HA GLU 59 HA GLU 59 -7.532 19.258 -9.701 321 HB2 GLU 59 HB1 GLU 59 -5.193 17.397 -9.348 322 HB3 GLU 59 HB2 GLU 59 -6.772 16.791 -9.870 323 HG2 GLU 59 HG1 GLU 59 -6.708 17.950 -11.887 324 HG3 GLU 59 HG2 GLU 59 -5.454 19.056 -11.310 325 HE2 GLU 59 HE GLU 59 -3.854 16.622 -13.453 326 H LYS 60 H LYS 60 -8.569 16.953 -9.040 327 HA LYS 60 HA LYS 60 -9.334 17.313 -6.262 328 HB2 LYS 60 HB1 LYS 60 -10.434 15.872 -8.625 329 HB3 LYS 60 HB2 LYS 60 -10.844 15.244 -7.020 330 HG2 LYS 60 HG1 LYS 60 -12.055 17.114 -6.432 331 HG3 LYS 60 HG2 LYS 60 -11.202 18.150 -7.591 332 HD2 LYS 60 HD1 LYS 60 -12.392 16.262 -9.216 333 HD3 LYS 60 HD2 LYS 60 -13.600 16.526 -7.946 334 HE2 LYS 60 HE1 LYS 60 -13.111 19.060 -8.375 335 HE3 LYS 60 HE2 LYS 60 -12.470 18.471 -9.917 336 HZ1 LYS 60 HZ1 LYS 60 -14.584 18.671 -10.580 337 HZ2 LYS 60 HZ2 LYS 60 -15.208 18.644 -9.008 338 HZ3 LYS 60 HZ3 LYS 60 -14.822 17.194 -9.790 339 HA PRO 61 HA PRO 61 -7.085 13.977 -4.513 340 HB2 PRO 61 HB1 PRO 61 -8.892 12.897 -2.759 341 HB3 PRO 61 HB2 PRO 61 -8.109 14.457 -2.513 342 HG2 PRO 61 HG1 PRO 61 -10.818 13.847 -3.647 343 HG3 PRO 61 HG2 PRO 61 -10.344 15.092 -2.430 344 HD2 PRO 61 HD1 PRO 61 -10.791 15.690 -5.040 345 HD3 PRO 61 HD2 PRO 61 -9.581 16.533 -4.060 346 H PHE 62 H PHE 62 -6.591 11.896 -4.962 347 HA PHE 62 HA PHE 62 -8.505 9.874 -5.498 348 HB2 PHE 62 HB1 PHE 62 -8.233 9.536 -7.838 349 HB3 PHE 62 HB2 PHE 62 -8.612 11.245 -7.618 350 HD1 PHE 62 HD1 PHE 62 -6.501 9.024 -9.268 351 HD2 PHE 62 HD2 PHE 62 -6.479 12.802 -7.309 352 HE1 PHE 62 HE1 PHE 62 -4.473 9.652 -10.510 353 HE2 PHE 62 HE2 PHE 62 -4.451 13.438 -8.549 354 HZ PHE 62 HZ PHE 62 -3.446 11.862 -10.154 355 H CYS 63 H CYS 63 -7.443 7.833 -6.261 356 HA CYS 63 HA CYS 63 -5.010 7.447 -4.791 357 HB2 CYS 63 HB1 CYS 63 -7.133 5.837 -5.555 358 HB3 CYS 63 HB2 CYS 63 -5.798 5.250 -6.548 359 H ALA 64 H ALA 64 -2.977 6.979 -5.554 360 HA ALA 64 HA ALA 64 -2.531 6.970 -8.444 361 HB1 ALA 64 HB1 ALA 64 -0.469 8.568 -7.400 362 HB2 ALA 64 HB2 ALA 64 -1.765 9.052 -8.495 363 HB3 ALA 64 HB3 ALA 64 -1.977 9.213 -6.751 364 H THR 65 H THR 65 -0.848 5.716 -9.082 365 HA THR 65 HA THR 65 0.125 3.700 -7.470 366 HB THR 65 HB THR 65 0.307 3.423 -9.822 367 HG1 THR 65 HG1 THR 65 2.172 2.425 -9.669 368 HG21 THR 65 HG21 THR 65 1.815 4.821 -11.206 369 HG22 THR 65 HG22 THR 65 2.097 5.857 -9.806 370 HG23 THR 65 HG23 THR 65 0.482 5.740 -10.507 371 H CYS 66 H CYS 66 2.332 3.263 -6.742 372 HA CYS 66 HA CYS 66 3.337 5.408 -5.154 373 HB2 CYS 66 HB1 CYS 66 5.060 3.791 -4.444 374 HB3 CYS 66 HB2 CYS 66 3.431 3.124 -4.331 375 H ARG 67 H ARG 67 5.277 6.515 -5.311 376 HA ARG 67 HA ARG 67 6.159 7.194 -7.885 377 HB2 ARG 67 HB1 ARG 67 7.661 7.568 -5.284 378 HB3 ARG 67 HB2 ARG 67 7.891 8.483 -6.781 379 HG2 ARG 67 HG1 ARG 67 5.398 8.493 -5.077 380 HG3 ARG 67 HG2 ARG 67 6.630 9.766 -5.140 381 HD2 ARG 67 HD1 ARG 67 5.336 10.704 -6.718 382 HD3 ARG 67 HD2 ARG 67 5.998 9.454 -7.781 383 HE ARG 67 HE ARG 67 3.786 8.372 -6.465 384 HH11 ARG 67 HH11 ARG 67 4.517 10.854 -8.796 385 HH12 ARG 67 HH12 ARG 67 2.981 10.741 -9.590 386 HH21 ARG 67 HH21 ARG 67 1.762 8.215 -7.503 387 HH22 ARG 67 HH22 ARG 67 1.415 9.240 -8.854 388 H GLY 68 H GLY 68 7.754 6.457 -9.176 389 HA2 GLY 68 HA2 GLY 68 8.808 3.876 -8.792 390 HA3 GLY 68 HA3 GLY 68 9.343 5.025 -10.009 391 HA1 GLY 68 HA1 GLY 68 8.829 4.361 -8.057 392 H LEU 69 H LEU 69 11.425 3.894 -9.474 393 HA LEU 69 HA LEU 69 12.686 4.425 -6.972 394 HB2 LEU 69 HB1 LEU 69 13.578 3.357 -9.625 395 HB3 LEU 69 HB2 LEU 69 14.780 3.814 -8.405 396 HG LEU 69 HG LEU 69 12.618 1.737 -8.050 397 HD11 LEU 69 HD11 LEU 69 14.881 0.367 -7.825 398 HD12 LEU 69 HD12 LEU 69 15.447 1.624 -8.925 399 HD13 LEU 69 HD13 LEU 69 14.076 0.610 -9.377 400 HD21 LEU 69 HD21 LEU 69 14.637 1.462 -6.130 401 HD22 LEU 69 HD22 LEU 69 12.971 1.983 -5.872 402 HD23 LEU 69 HD23 LEU 69 14.236 3.179 -6.163 403 H ARG 70 H ARG 70 13.440 5.620 -10.252 404 HA ARG 70 HA ARG 70 15.229 7.606 -9.475 405 HB2 ARG 70 HB1 ARG 70 13.409 7.397 -11.879 406 HB3 ARG 70 HB2 ARG 70 14.616 8.678 -11.690 407 HG2 ARG 70 HG1 ARG 70 15.495 5.840 -11.428 408 HG3 ARG 70 HG2 ARG 70 15.161 6.499 -13.038 409 HD2 ARG 70 HD1 ARG 70 16.659 8.504 -12.079 410 HD3 ARG 70 HD2 ARG 70 17.319 7.169 -11.123 411 HE ARG 70 HE ARG 70 17.312 6.219 -13.679 412 HH11 ARG 70 HH11 ARG 70 18.633 9.030 -12.107 413 HH12 ARG 70 HH12 ARG 70 19.980 9.163 -13.189 414 HH21 ARG 70 HH21 ARG 70 19.081 6.383 -15.109 415 HH22 ARG 70 HH22 ARG 70 20.233 7.657 -14.897 416 H ARG 71 H ARG 71 11.776 7.529 -9.342 417 HA ARG 71 HA ARG 71 11.225 10.284 -9.323 418 HB2 ARG 71 HB1 ARG 71 9.815 7.868 -8.219 419 HB3 ARG 71 HB2 ARG 71 9.192 9.495 -7.913 420 HG2 ARG 71 HG1 ARG 71 9.774 8.546 -10.705 421 HG3 ARG 71 HG2 ARG 71 8.235 8.203 -9.896 422 HD2 ARG 71 HD1 ARG 71 8.107 10.725 -9.437 423 HD3 ARG 71 HD2 ARG 71 9.405 10.869 -10.632 424 HE ARG 71 HE ARG 71 7.347 9.339 -11.752 425 HH11 ARG 71 HH11 ARG 71 7.961 12.598 -10.695 426 HH12 ARG 71 HH12 ARG 71 6.850 13.311 -11.818 427 HH21 ARG 71 HH21 ARG 71 5.883 10.265 -13.236 428 HH22 ARG 71 HH22 ARG 71 5.669 11.982 -13.262 429 H ARG 72 H ARG 72 10.821 11.714 -7.589 430 HA ARG 72 HA ARG 72 12.624 11.343 -5.361 431 HB2 ARG 72 HB1 ARG 72 10.777 13.639 -6.063 432 HB3 ARG 72 HB2 ARG 72 11.986 13.657 -4.769 433 HG2 ARG 72 HG1 ARG 72 13.286 12.880 -7.179 434 HG3 ARG 72 HG2 ARG 72 12.317 14.330 -7.495 435 HD2 ARG 72 HD1 ARG 72 14.023 14.212 -5.034 436 HD3 ARG 72 HD2 ARG 72 14.771 14.538 -6.603 437 HE ARG 72 HE ARG 72 12.722 16.301 -6.532 438 HH11 ARG 72 HH11 ARG 72 15.303 15.542 -4.321 439 HH12 ARG 72 HH12 ARG 72 15.395 17.148 -3.674 440 HH21 ARG 72 HH21 ARG 72 12.835 18.417 -5.688 441 HH22 ARG 72 HH22 ARG 72 13.990 18.781 -4.452 442 H CYS 73 H CYS 73 12.015 11.534 -3.145 443 HA CYS 73 HA CYS 73 9.183 11.100 -2.536 444 HB2 CYS 73 HB1 CYS 73 9.845 9.279 -0.927 445 HB3 CYS 73 HB2 CYS 73 9.995 8.860 -2.635 446 H GLN 74 H GLN 74 8.602 11.569 -0.356 447 HA GLN 74 HA GLN 74 10.575 13.261 1.032 448 HB2 GLN 74 HB1 GLN 74 7.556 13.497 1.040 449 HB3 GLN 74 HB2 GLN 74 8.683 14.554 1.906 450 HG2 GLN 74 HG1 GLN 74 9.692 14.946 -0.481 451 HG3 GLN 74 HG2 GLN 74 8.092 14.402 -1.007 452 HE21 GLN 74 HE21 GLN 74 9.739 16.751 1.038 453 HE22 GLN 74 HE22 GLN 74 8.524 17.974 0.923 454 H ARG 75 H ARG 75 8.321 10.646 1.293 455 HA ARG 75 HA ARG 75 9.074 10.324 4.122 456 HB2 ARG 75 HB1 ARG 75 6.542 10.889 3.265 457 HB3 ARG 75 HB2 ARG 75 6.516 9.120 3.306 458 HG2 ARG 75 HG1 ARG 75 7.500 9.365 5.680 459 HG3 ARG 75 HG2 ARG 75 6.940 11.041 5.559 460 HD2 ARG 75 HD1 ARG 75 4.657 10.214 5.040 461 HD3 ARG 75 HD2 ARG 75 5.247 8.562 5.270 462 HE ARG 75 HE ARG 75 5.185 8.880 7.541 463 HH11 ARG 75 HH11 ARG 75 4.902 11.954 5.934 464 HH12 ARG 75 HH12 ARG 75 4.516 12.823 7.382 465 HH21 ARG 75 HH21 ARG 75 4.678 10.012 9.454 466 HH22 ARG 75 HH22 ARG 75 4.391 11.718 9.384 467 H ASP 76 H ASP 76 9.119 8.118 4.891 468 HA ASP 76 HA ASP 76 10.461 6.373 3.139 469 HB2 ASP 76 HB1 ASP 76 10.035 4.663 5.006 470 HB3 ASP 76 HB2 ASP 76 10.955 6.114 5.426 471 HD2 ASP 76 HD ASP 76 8.370 7.339 7.433 472 H ALA 77 H ALA 77 7.138 6.334 4.390 473 HA ALA 77 HA ALA 77 6.390 3.958 3.012 474 HB1 ALA 77 HB1 ALA 77 4.364 5.988 3.818 475 HB2 ALA 77 HB2 ALA 77 4.315 4.229 3.950 476 HB3 ALA 77 HB3 ALA 77 5.301 5.169 5.069 477 H MET 78 H MET 78 6.412 7.350 2.199 478 HA MET 78 HA MET 78 4.606 7.443 0.106 479 HB2 MET 78 HB1 MET 78 6.982 8.980 0.930 480 HB3 MET 78 HB2 MET 78 6.583 9.097 -0.789 481 HG2 MET 78 HG1 MET 78 4.534 9.569 1.363 482 HG3 MET 78 HG2 MET 78 5.588 10.846 0.752 483 HE1 MET 78 HE1 MET 78 5.460 12.005 -1.299 484 HE2 MET 78 HE2 MET 78 5.730 10.675 -2.424 485 HE3 MET 78 HE3 MET 78 4.344 11.745 -2.640 486 H CYS 79 H CYS 79 7.851 6.135 0.194 487 HA CYS 79 HA CYS 79 8.123 5.839 -2.635 488 HB2 CYS 79 HB1 CYS 79 9.991 5.948 -0.889 489 HB3 CYS 79 HB2 CYS 79 9.616 4.257 -0.548 490 H CYS 80 H CYS 80 8.237 3.800 -3.776 491 HA CYS 80 HA CYS 80 5.966 2.240 -3.548 492 HB2 CYS 80 HB1 CYS 80 8.602 1.883 -4.920 493 HB3 CYS 80 HB2 CYS 80 7.482 0.522 -4.870 494 HA PRO 81 HA PRO 81 6.635 -0.745 -0.406 495 HB2 PRO 81 HB1 PRO 81 5.541 -3.007 -1.498 496 HB3 PRO 81 HB2 PRO 81 4.586 -1.633 -0.946 497 HG2 PRO 81 HG1 PRO 81 5.509 -2.314 -3.718 498 HG3 PRO 81 HG2 PRO 81 3.883 -1.769 -3.158 499 HD2 PRO 81 HD1 PRO 81 5.659 -0.098 -4.351 500 HD3 PRO 81 HD2 PRO 81 4.541 0.438 -3.086 501 H GLY 82 H GLY 82 8.591 -1.489 0.129 502 HA2 GLY 82 HA2 GLY 82 10.115 -3.363 0.065 503 HA3 GLY 82 HA3 GLY 82 9.873 -3.438 -1.674 504 HA1 GLY 82 HA1 GLY 82 10.082 -2.495 0.219 505 H THR 83 H THR 83 10.056 -0.265 -1.147 506 HA THR 83 HA THR 83 12.988 -0.221 -1.461 507 HB THR 83 HB THR 83 12.382 2.086 -2.605 508 HG1 THR 83 HG1 THR 83 10.058 0.503 -3.090 509 HG21 THR 83 HG21 THR 83 12.772 -0.619 -3.564 510 HG22 THR 83 HG22 THR 83 13.396 0.902 -4.205 511 HG23 THR 83 HG23 THR 83 11.798 0.330 -4.686 512 H LEU 84 H LEU 84 13.862 2.088 -0.996 513 HA LEU 84 HA LEU 84 12.547 3.181 1.399 514 HB2 LEU 84 HB1 LEU 84 15.082 1.847 1.221 515 HB3 LEU 84 HB2 LEU 84 15.329 3.541 1.677 516 HG LEU 84 HG LEU 84 13.256 2.063 3.186 517 HD11 LEU 84 HD11 LEU 84 14.750 0.303 3.290 518 HD12 LEU 84 HD12 LEU 84 15.203 1.261 4.699 519 HD13 LEU 84 HD13 LEU 84 16.161 1.358 3.223 520 HD21 LEU 84 HD21 LEU 84 14.168 3.361 5.025 521 HD22 LEU 84 HD22 LEU 84 13.823 4.406 3.646 522 HD23 LEU 84 HD23 LEU 84 15.484 3.928 3.997 523 H CYS 85 H CYS 85 13.298 5.385 1.953 524 HA CYS 85 HA CYS 85 13.684 6.939 -0.500 525 HB2 CYS 85 HB1 CYS 85 11.741 7.348 1.112 526 HB3 CYS 85 HB2 CYS 85 12.943 8.025 2.213 527 H VAL 86 H VAL 86 15.630 7.700 -0.956 528 HA VAL 86 HA VAL 86 17.418 8.451 1.258 529 HB VAL 86 HB VAL 86 18.308 7.028 -1.254 530 HG11 VAL 86 HG11 VAL 86 20.407 6.828 0.340 531 HG12 VAL 86 HG12 VAL 86 20.159 8.241 -0.687 532 HG13 VAL 86 HG13 VAL 86 19.729 8.306 1.022 533 HG21 VAL 86 HG21 VAL 86 17.081 5.533 0.243 534 HG22 VAL 86 HG22 VAL 86 18.796 5.126 0.195 535 HG23 VAL 86 HG23 VAL 86 18.136 6.000 1.577 536 H ASN 87 H ASN 87 18.141 10.466 1.098 537 HA ASN 87 HA ASN 87 18.544 12.554 0.287 538 HB2 ASN 87 HB1 ASN 87 19.463 10.773 -1.955 539 HB3 ASN 87 HB2 ASN 87 19.518 12.530 -2.134 540 HD21 ASN 87 HD21 ASN 87 20.319 10.154 0.384 541 HD22 ASN 87 HD22 ASN 87 21.867 10.825 0.758 542 H ASP 88 H ASP 88 15.872 11.751 0.159 543 HA ASP 88 HA ASP 88 13.875 12.424 -0.699 544 HB2 ASP 88 HB1 ASP 88 15.369 14.316 -2.512 545 HB3 ASP 88 HB2 ASP 88 13.751 14.500 -1.820 546 HD2 ASP 88 HD ASP 88 16.857 15.635 0.311 547 H VAL 89 H VAL 89 15.585 10.353 -2.025 548 HA VAL 89 HA VAL 89 14.062 10.235 -4.530 549 HB VAL 89 HB VAL 89 16.991 9.521 -4.350 550 HG11 VAL 89 HG11 VAL 89 15.931 8.153 -5.972 551 HG12 VAL 89 HG12 VAL 89 15.004 9.512 -6.612 552 HG13 VAL 89 HG13 VAL 89 16.749 9.439 -6.856 553 HG21 VAL 89 HG21 VAL 89 16.867 11.530 -6.154 554 HG22 VAL 89 HG22 VAL 89 15.615 12.037 -5.019 555 HG23 VAL 89 HG23 VAL 89 17.261 11.758 -4.450 556 H CYS 90 H CYS 90 13.250 8.264 -5.008 557 HA CYS 90 HA CYS 90 13.248 6.253 -3.008 558 HB2 CYS 90 HB1 CYS 90 12.080 6.588 -5.727 559 HB3 CYS 90 HB2 CYS 90 12.207 4.942 -5.101 560 H THR 91 H THR 91 14.223 4.258 -2.937 561 HA THR 91 HA THR 91 15.968 3.398 -5.086 562 HB THR 91 HB THR 91 17.388 4.953 -3.757 563 HG1 THR 91 HG1 THR 91 18.407 2.383 -3.268 564 HG21 THR 91 HG21 THR 91 16.932 2.930 -1.561 565 HG22 THR 91 HG22 THR 91 16.419 4.617 -1.557 566 HG23 THR 91 HG23 THR 91 18.135 4.218 -1.520 567 H THR 92 H THR 92 16.927 1.255 -4.646 568 HA THR 92 HA THR 92 14.976 -0.483 -3.484 569 HB THR 92 HB THR 92 16.774 -2.261 -3.992 570 HG1 THR 92 HG1 THR 92 18.180 -1.222 -5.764 571 HG21 THR 92 HG21 THR 92 15.872 -2.520 -6.069 572 HG22 THR 92 HG22 THR 92 16.106 -0.826 -6.501 573 HG23 THR 92 HG23 THR 92 14.762 -1.293 -5.459 574 H MET 93 H MET 93 15.150 -1.800 -1.679 575 HA MET 93 HA MET 93 16.387 -0.756 0.582 576 HB2 MET 93 HB1 MET 93 14.707 -2.955 -0.043 577 HB3 MET 93 HB2 MET 93 16.068 -3.585 0.896 578 HG2 MET 93 HG1 MET 93 15.622 -1.820 2.612 579 HG3 MET 93 HG2 MET 93 14.167 -1.402 1.703 580 HE1 MET 93 HE1 MET 93 11.715 -3.307 3.656 581 HE2 MET 93 HE2 MET 93 12.475 -1.728 3.450 582 HE3 MET 93 HE3 MET 93 11.861 -2.602 2.045 583 H GLU 94 H GLU 94 17.551 -3.067 -1.777 584 HA GLU 94 HA GLU 94 19.770 -4.016 -0.297 585 HB2 GLU 94 HB1 GLU 94 19.072 -3.968 -3.223 586 HB3 GLU 94 HB2 GLU 94 20.647 -4.560 -2.671 587 HG2 GLU 94 HG1 GLU 94 18.107 -5.653 -1.512 588 HG3 GLU 94 HG2 GLU 94 18.743 -6.249 -3.052 589 HE2 GLU 94 HE GLU 94 20.675 -7.195 0.273 590 H ASP 95 H ASP 95 19.201 -1.147 -2.153 591 HA ASP 95 HA ASP 95 22.021 -0.467 -2.313 592 HB2 ASP 95 HB1 ASP 95 19.502 0.544 -3.476 593 HB3 ASP 95 HB2 ASP 95 20.701 1.789 -3.094 594 HD2 ASP 95 HD ASP 95 21.398 -0.642 -6.111 595 H ALA 96 H ALA 96 19.098 0.823 -0.747 596 HA ALA 96 HA ALA 96 20.310 2.927 0.630 597 HB1 ALA 96 HB1 ALA 96 17.754 1.602 0.632 598 HB2 ALA 96 HB2 ALA 96 18.244 2.020 2.274 599 HB3 ALA 96 HB3 ALA 96 18.153 3.272 1.035 600 H THR 97 H THR 97 20.043 -0.484 1.415 601 HA THR 97 HA THR 97 22.174 -0.279 3.326 602 HB THR 97 HB THR 97 20.501 0.384 4.873 603 HG1 THR 97 HG1 THR 97 21.903 -1.580 5.354 604 HG21 THR 97 HG21 THR 97 18.805 -1.352 3.281 605 HG22 THR 97 HG22 THR 97 18.366 -0.014 4.341 606 HG23 THR 97 HG23 THR 97 18.596 -1.629 5.009 607 H GLU 98 H GLU 98 23.351 -1.940 2.621 608 HA GLU 98 HA GLU 98 22.248 -4.259 1.404 609 HB2 GLU 98 HB1 GLU 98 24.596 -5.144 1.570 610 HB3 GLU 98 HB2 GLU 98 24.440 -3.585 0.744 611 HG2 GLU 98 HG1 GLU 98 24.915 -3.321 3.614 612 HG3 GLU 98 HG2 GLU 98 26.208 -4.169 2.753 613 HE2 GLU 98 HE GLU 98 25.848 -0.301 2.262 614 H ASN 99 H ASN 99 22.310 -6.427 2.158 615 HA ASN 99 HA ASN 99 22.124 -6.633 5.088 616 HB2 ASN 99 HB1 ASN 99 20.523 -7.719 2.874 617 HB3 ASN 99 HB2 ASN 99 20.939 -8.912 4.110 618 HD21 ASN 99 HD21 ASN 99 19.289 -5.908 3.484 619 HD22 ASN 99 HD22 ASN 99 18.331 -5.907 4.922 620 H LEU 100 H LEU 100 22.677 -8.825 5.970 621 HA LEU 100 HA LEU 100 24.420 -10.536 4.508 622 HB2 LEU 100 HB1 LEU 100 25.649 -8.252 5.403 623 HB3 LEU 100 HB2 LEU 100 25.960 -9.396 6.720 624 HG LEU 100 HG LEU 100 26.582 -10.773 4.355 625 HD11 LEU 100 HD11 LEU 100 27.430 -7.902 4.291 626 HD12 LEU 100 HD12 LEU 100 26.764 -8.896 2.996 627 HD13 LEU 100 HD13 LEU 100 28.417 -9.162 3.550 628 HD21 LEU 100 HD21 LEU 100 28.730 -10.935 5.307 629 HD22 LEU 100 HD22 LEU 100 27.616 -10.832 6.672 630 HD23 LEU 100 HD23 LEU 100 28.545 -9.415 6.182 631 H TYR 101 H TYR 101 25.162 -12.345 5.769 632 HA TYR 101 HA TYR 101 23.280 -13.107 7.780 633 HB2 TYR 101 HB1 TYR 101 24.898 -14.456 5.999 634 HB3 TYR 101 HB2 TYR 101 25.679 -14.776 7.551 635 HD1 TYR 101 HD1 TYR 101 25.077 -16.762 8.536 636 HD2 TYR 101 HD2 TYR 101 22.149 -14.626 6.306 637 HE1 TYR 101 HE1 TYR 101 23.423 -18.512 9.040 638 HE2 TYR 101 HE2 TYR 101 20.488 -16.369 6.806 639 HH TYR 101 HH TYR 101 20.629 -18.431 9.140 640 H PHE 102 H PHE 102 24.480 -14.448 9.706 641 HA PHE 102 HA PHE 102 25.916 -12.370 11.188 642 HB2 PHE 102 HB1 PHE 102 23.913 -14.346 11.863 643 HB3 PHE 102 HB2 PHE 102 25.323 -14.512 12.910 644 HD1 PHE 102 HD1 PHE 102 22.572 -12.318 11.929 645 HD2 PHE 102 HD2 PHE 102 25.966 -12.773 14.457 646 HE1 PHE 102 HE1 PHE 102 21.806 -10.419 13.294 647 HE2 PHE 102 HE2 PHE 102 25.205 -10.876 15.826 648 HZ PHE 102 HZ PHE 102 23.122 -9.696 15.245 649 H GLN 103 H GLN 103 28.057 -12.516 11.074 650 HA GLN 103 HA GLN 103 29.286 -15.191 11.149 651 HB2 GLN 103 HB1 GLN 103 29.589 -13.464 9.148 652 HB3 GLN 103 HB2 GLN 103 30.834 -12.817 10.229 653 HG2 GLN 103 HG1 GLN 103 31.164 -15.628 10.162 654 HG3 GLN 103 HG2 GLN 103 30.969 -15.067 8.496 655 HE21 GLN 103 HE21 GLN 103 32.898 -14.828 11.388 656 HE22 GLN 103 HE22 GLN 103 34.287 -14.123 10.641 657 H SER 104 H SER 104 29.415 -15.377 13.378 658 HA SER 104 HA SER 104 31.453 -13.679 14.624 659 HB2 SER 104 HB1 SER 104 29.238 -12.806 15.316 660 HB3 SER 104 HB2 SER 104 28.829 -14.410 15.947 661 HG SER 104 HG SER 104 30.325 -12.449 17.082 662 H LEU 105 H LEU 105 32.778 -14.710 16.073 663 HA LEU 105 HA LEU 105 32.534 -17.628 16.138 664 HB2 LEU 105 HB1 LEU 105 34.719 -15.761 15.934 665 HB3 LEU 105 HB2 LEU 105 34.953 -16.835 17.325 666 HG LEU 105 HG LEU 105 36.064 -17.636 15.270 667 HD11 LEU 105 HD11 LEU 105 34.258 -19.106 16.967 668 HD12 LEU 105 HD12 LEU 105 35.837 -19.570 16.335 669 HD13 LEU 105 HD13 LEU 105 34.387 -19.858 15.376 670 HD21 LEU 105 HD21 LEU 105 33.584 -18.574 14.037 671 HD22 LEU 105 HD22 LEU 105 35.030 -17.882 13.300 672 HD23 LEU 105 HD23 LEU 105 33.794 -16.823 13.983 673 H GLU 106 H GLU 106 31.286 -18.227 17.816 674 HA GLU 106 HA GLU 106 31.215 -16.847 20.307 675 HB2 GLU 106 HB1 GLU 106 29.806 -19.011 19.034 676 HB3 GLU 106 HB2 GLU 106 30.247 -19.468 20.687 677 HG2 GLU 106 HG1 GLU 106 29.218 -17.337 21.484 678 HG3 GLU 106 HG2 GLU 106 28.640 -17.074 19.833 679 HE2 GLU 106 HE GLU 106 25.835 -18.745 20.975 680 H HIS 107 H HIS 107 31.907 -17.615 22.360 681 HA HIS 107 HA HIS 107 34.146 -19.526 22.235 682 HB2 HIS 107 HB1 HIS 107 33.917 -16.915 23.733 683 HB3 HIS 107 HB2 HIS 107 35.103 -18.150 24.173 684 HD1 HIS 107 HD1 HIS 107 34.746 -15.255 22.085 685 HD2 HIS 107 HD2 HIS 107 36.858 -18.824 21.850 686 HE1 HIS 107 HE1 HIS 107 36.552 -14.855 20.383 687 HE2 HIS 107 HE2 HIS 107 37.843 -17.037 20.236 688 H HIS 108 H HIS 108 34.735 -20.190 24.625 689 HA HIS 108 HA HIS 108 32.322 -20.584 26.228 690 HB2 HIS 108 HB1 HIS 108 32.630 -22.964 26.413 691 HB3 HIS 108 HB2 HIS 108 32.544 -22.545 24.700 692 HD1 HIS 108 HD1 HIS 108 34.814 -23.999 27.240 693 HD2 HIS 108 HD2 HIS 108 34.994 -22.773 23.274 694 HE1 HIS 108 HE1 HIS 108 36.954 -24.961 26.335 695 HE2 HIS 108 HE2 HIS 108 37.064 -24.213 23.911 696 H HIS 109 H HIS 109 32.821 -21.481 28.393 697 HA HIS 109 HA HIS 109 35.307 -20.311 29.379 698 HB2 HIS 109 HB1 HIS 109 32.640 -20.896 30.510 699 HB3 HIS 109 HB2 HIS 109 33.998 -21.130 31.616 700 HD1 HIS 109 HD1 HIS 109 34.637 -19.119 32.891 701 HD2 HIS 109 HD2 HIS 109 32.848 -18.140 29.271 702 HE1 HIS 109 HE1 HIS 109 34.496 -16.609 32.868 703 HE2 HIS 109 HE2 HIS 109 33.403 -16.009 30.655 704 H HIS 110 H HIS 110 36.985 -21.475 30.084 705 HA HIS 110 HA HIS 110 36.977 -24.319 29.752 706 HB2 HIS 110 HB1 HIS 110 39.309 -24.234 30.338 707 HB3 HIS 110 HB2 HIS 110 38.954 -22.875 29.268 708 HD1 HIS 110 HD1 HIS 110 38.546 -20.507 30.572 709 HD2 HIS 110 HD2 HIS 110 40.558 -23.493 32.645 710 HE1 HIS 110 HE1 HIS 110 39.724 -19.337 32.461 711 HE2 HIS 110 HE2 HIS 110 40.953 -21.161 33.729 712 H HIS 111 H HIS 111 38.444 -25.381 31.734 713 HA HIS 111 HA HIS 111 37.013 -24.813 34.233 714 HB2 HIS 111 HB1 HIS 111 37.300 -27.493 32.868 715 HB3 HIS 111 HB2 HIS 111 36.914 -27.338 34.585 716 HD1 HIS 111 HD1 HIS 111 35.466 -26.434 31.210 717 HD2 HIS 111 HD2 HIS 111 34.280 -26.883 35.166 718 HE1 HIS 111 HE1 HIS 111 32.957 -26.254 31.185 719 HE2 HIS 111 HE2 HIS 111 32.231 -26.530 33.602 720 H HIS 112 H HIS 112 38.169 -25.158 36.104 721 HA HIS 112 HA HIS 112 40.031 -25.219 37.413 722 HB2 HIS 112 HB1 HIS 112 40.446 -27.535 35.539 723 HB3 HIS 112 HB2 HIS 112 41.670 -27.133 36.749 724 HD1 HIS 112 HD1 HIS 112 40.910 -29.659 37.546 725 HD2 HIS 112 HD2 HIS 112 38.277 -26.531 38.284 726 HE1 HIS 112 HE1 HIS 112 39.348 -30.501 39.328 727 HE2 HIS 112 HE2 HIS 112 37.736 -28.590 39.779 Start of MODEL 15 1 H1 MET 18 H MET 18 -56.369 0.985 48.570 2 HA MET 18 HA MET 18 -56.019 1.582 46.377 3 HB2 MET 18 HB1 MET 18 -57.020 3.583 47.542 4 HB3 MET 18 HB2 MET 18 -55.382 4.248 47.645 5 HG2 MET 18 HG1 MET 18 -55.194 4.470 45.306 6 HG3 MET 18 HG2 MET 18 -56.605 3.445 45.028 7 HE1 MET 18 HE1 MET 18 -58.262 4.869 43.647 8 HE2 MET 18 HE2 MET 18 -58.991 4.145 45.080 9 HE3 MET 18 HE3 MET 18 -59.387 5.806 44.630 10 H LEU 19 H LEU 19 -54.071 0.275 46.173 11 HA LEU 19 HA LEU 19 -51.620 1.900 45.990 12 HB2 LEU 19 HB1 LEU 19 -51.826 -1.105 46.227 13 HB3 LEU 19 HB2 LEU 19 -50.351 -0.126 46.278 14 HG LEU 19 HG LEU 19 -52.532 0.019 48.355 15 HD11 LEU 19 HD11 LEU 19 -51.724 -1.795 49.336 16 HD12 LEU 19 HD12 LEU 19 -50.086 -1.146 49.281 17 HD13 LEU 19 HD13 LEU 19 -50.713 -2.072 47.918 18 HD21 LEU 19 HD21 LEU 19 -50.250 0.861 49.530 19 HD22 LEU 19 HD22 LEU 19 -51.425 1.935 48.768 20 HD23 LEU 19 HD23 LEU 19 -49.990 1.422 47.877 21 H VAL 20 H VAL 20 -52.335 2.627 43.884 22 HA VAL 20 HA VAL 20 -52.840 0.881 41.729 23 HB VAL 20 HB VAL 20 -52.261 2.862 40.289 24 HG11 VAL 20 HG11 VAL 20 -54.215 3.287 42.547 25 HG12 VAL 20 HG12 VAL 20 -54.189 4.206 41.041 26 HG13 VAL 20 HG13 VAL 20 -54.537 2.478 41.015 27 HG21 VAL 20 HG21 VAL 20 -51.133 4.600 41.097 28 HG22 VAL 20 HG22 VAL 20 -52.276 4.790 42.426 29 HG23 VAL 20 HG23 VAL 20 -50.906 3.692 42.593 30 H LEU 21 H LEU 21 -51.535 -0.171 40.346 31 HA LEU 21 HA LEU 21 -48.690 -0.205 40.928 32 HB2 LEU 21 HB1 LEU 21 -50.491 -2.146 40.222 33 HB3 LEU 21 HB2 LEU 21 -49.658 -1.827 38.691 34 HG LEU 21 HG LEU 21 -48.571 -3.664 39.749 35 HD11 LEU 21 HD11 LEU 21 -46.357 -2.929 39.727 36 HD12 LEU 21 HD12 LEU 21 -46.779 -1.341 40.367 37 HD13 LEU 21 HD13 LEU 21 -47.204 -1.763 38.709 38 HD21 LEU 21 HD21 LEU 21 -49.437 -2.965 42.064 39 HD22 LEU 21 HD22 LEU 21 -47.968 -1.995 42.167 40 HD23 LEU 21 HD23 LEU 21 -47.859 -3.744 41.969 41 H ASP 22 H ASP 22 -47.237 0.927 39.835 42 HA ASP 22 HA ASP 22 -47.919 1.837 37.116 43 HB2 ASP 22 HB1 ASP 22 -46.421 3.307 39.297 44 HB3 ASP 22 HB2 ASP 22 -46.473 3.839 37.612 45 HD2 ASP 22 HD ASP 22 -50.150 3.850 38.920 46 H PHE 23 H PHE 23 -46.340 1.729 35.558 47 HA PHE 23 HA PHE 23 -43.666 0.840 36.306 48 HB2 PHE 23 HB1 PHE 23 -45.636 -0.980 35.438 49 HB3 PHE 23 HB2 PHE 23 -44.566 -0.730 34.056 50 HD1 PHE 23 HD1 PHE 23 -44.480 -1.547 37.681 51 HD2 PHE 23 HD2 PHE 23 -42.554 -1.864 33.899 52 HE1 PHE 23 HE1 PHE 23 -42.827 -3.087 38.656 53 HE2 PHE 23 HE2 PHE 23 -40.898 -3.405 34.867 54 HZ PHE 23 HZ PHE 23 -41.034 -4.019 37.249 55 H ASN 24 H ASN 24 -45.815 1.425 33.524 56 HA ASN 24 HA ASN 24 -45.531 2.606 31.601 57 HB2 ASN 24 HB1 ASN 24 -44.173 4.101 33.668 58 HB3 ASN 24 HB2 ASN 24 -43.348 4.304 32.118 59 HD21 ASN 24 HD21 ASN 24 -45.190 6.002 33.871 60 HD22 ASN 24 HD22 ASN 24 -46.334 6.644 32.746 61 H ASN 25 H ASN 25 -43.828 3.236 29.899 62 HA ASN 25 HA ASN 25 -41.684 1.214 29.890 63 HB2 ASN 25 HB1 ASN 25 -43.439 2.126 27.595 64 HB3 ASN 25 HB2 ASN 25 -42.008 1.105 27.405 65 HD21 ASN 25 HD21 ASN 25 -45.174 1.277 28.925 66 HD22 ASN 25 HD22 ASN 25 -45.435 -0.429 28.998 67 H ILE 26 H ILE 26 -40.540 3.138 30.861 68 HA ILE 26 HA ILE 26 -39.946 5.376 29.192 69 HB ILE 26 HB ILE 26 -38.165 5.862 30.871 70 HG12 ILE 26 HG11 ILE 26 -39.196 3.822 32.732 71 HG13 ILE 26 HG12 ILE 26 -38.241 3.178 31.388 72 HG21 ILE 26 HG21 ILE 26 -40.811 5.240 32.165 73 HG22 ILE 26 HG22 ILE 26 -39.668 6.510 32.598 74 HG23 ILE 26 HG23 ILE 26 -40.554 6.603 31.076 75 HD11 ILE 26 HD11 ILE 26 -36.317 3.946 32.215 76 HD12 ILE 26 HD12 ILE 26 -37.025 5.490 32.695 77 HD13 ILE 26 HD13 ILE 26 -37.208 4.075 33.732 78 H ARG 27 H ARG 27 -37.710 5.940 28.532 79 HA ARG 27 HA ARG 27 -36.096 3.592 27.814 80 HB2 ARG 27 HB1 ARG 27 -36.958 5.826 25.964 81 HB3 ARG 27 HB2 ARG 27 -35.688 4.656 25.578 82 HG2 ARG 27 HG1 ARG 27 -37.372 2.829 25.870 83 HG3 ARG 27 HG2 ARG 27 -38.608 4.090 26.021 84 HD2 ARG 27 HD1 ARG 27 -38.753 3.612 23.771 85 HD3 ARG 27 HD2 ARG 27 -37.599 4.952 23.771 86 HE ARG 27 HE ARG 27 -36.168 2.554 23.976 87 HH11 ARG 27 HH11 ARG 27 -38.141 4.291 21.694 88 HH12 ARG 27 HH12 ARG 27 -37.351 3.623 20.304 89 HH21 ARG 27 HH21 ARG 27 -35.120 1.667 22.154 90 HH22 ARG 27 HH22 ARG 27 -35.634 2.131 20.567 91 H SER 28 H SER 28 -33.993 4.599 26.617 92 HA SER 28 HA SER 28 -32.998 7.061 27.558 93 HB2 SER 28 HB1 SER 28 -33.128 5.384 29.648 94 HB3 SER 28 HB2 SER 28 -31.561 4.883 28.990 95 HG SER 28 HG SER 28 -32.330 7.360 30.055 96 H SER 29 H SER 29 -30.355 6.758 27.631 97 HA SER 29 HA SER 29 -28.518 6.527 26.309 98 HB2 SER 29 HB1 SER 29 -29.507 3.976 26.753 99 HB3 SER 29 HB2 SER 29 -29.301 4.037 24.993 100 HG SER 29 HG SER 29 -27.407 3.364 26.231 101 H ALA 30 H ALA 30 -27.982 5.633 23.843 102 HA ALA 30 HA ALA 30 -30.017 6.327 21.941 103 HB1 ALA 30 HB1 ALA 30 -28.523 8.445 22.981 104 HB2 ALA 30 HB2 ALA 30 -27.835 8.122 21.389 105 HB3 ALA 30 HB3 ALA 30 -29.558 8.465 21.551 106 H ASP 31 H ASP 31 -28.920 6.540 19.666 107 HA ASP 31 HA ASP 31 -27.323 4.154 19.343 108 HB2 ASP 31 HB1 ASP 31 -28.568 6.108 17.402 109 HB3 ASP 31 HB2 ASP 31 -27.529 4.776 16.874 110 HD2 ASP 31 HD ASP 31 -30.697 3.345 18.724 111 H LEU 32 H LEU 32 -26.955 7.605 18.551 112 HA LEU 32 HA LEU 32 -25.124 8.883 18.112 113 HB2 LEU 32 HB1 LEU 32 -24.737 8.002 20.502 114 HB3 LEU 32 HB2 LEU 32 -23.537 6.937 19.752 115 HG LEU 32 HG LEU 32 -22.573 9.183 18.803 116 HD11 LEU 32 HD11 LEU 32 -24.667 10.303 20.003 117 HD12 LEU 32 HD12 LEU 32 -23.117 11.127 19.836 118 HD13 LEU 32 HD13 LEU 32 -23.535 10.334 21.355 119 HD21 LEU 32 HD21 LEU 32 -21.791 9.246 21.534 120 HD22 LEU 32 HD22 LEU 32 -20.929 8.562 20.156 121 HD23 LEU 32 HD23 LEU 32 -22.059 7.565 21.074 122 H HIS 33 H HIS 33 -25.586 7.422 15.992 123 HA HIS 33 HA HIS 33 -22.914 6.715 15.047 124 HB2 HIS 33 HB1 HIS 33 -24.650 4.722 15.764 125 HB3 HIS 33 HB2 HIS 33 -25.007 4.905 14.045 126 HD1 HIS 33 HD1 HIS 33 -22.303 5.339 12.814 127 HD2 HIS 33 HD2 HIS 33 -22.963 2.595 15.863 128 HE1 HIS 33 HE1 HIS 33 -20.432 3.669 12.632 129 HE2 HIS 33 HE2 HIS 33 -20.834 1.991 14.494 130 H GLY 34 H GLY 34 -22.513 7.725 13.193 131 HA2 GLY 34 HA2 GLY 34 -23.657 7.806 10.838 132 HA3 GLY 34 HA3 GLY 34 -24.769 8.856 11.702 133 HA1 GLY 34 HA1 GLY 34 -22.913 7.902 11.299 134 H ALA 35 H ALA 35 -21.390 8.463 10.748 135 HA ALA 35 HA ALA 35 -21.088 11.391 10.925 136 HB1 ALA 35 HB1 ALA 35 -19.545 10.671 12.463 137 HB2 ALA 35 HB2 ALA 35 -19.205 9.178 11.587 138 HB3 ALA 35 HB3 ALA 35 -18.559 10.711 11.002 139 H ARG 36 H ARG 36 -20.816 12.409 9.055 140 HA ARG 36 HA ARG 36 -20.044 10.829 6.700 141 HB2 ARG 36 HB1 ARG 36 -21.304 13.573 6.683 142 HB3 ARG 36 HB2 ARG 36 -21.206 12.407 5.354 143 HG2 ARG 36 HG1 ARG 36 -22.772 10.932 6.454 144 HG3 ARG 36 HG2 ARG 36 -22.808 11.998 7.869 145 HD2 ARG 36 HD1 ARG 36 -23.785 13.792 6.545 146 HD3 ARG 36 HD2 ARG 36 -23.667 12.793 5.089 147 HE ARG 36 HE ARG 36 -25.569 11.690 5.727 148 HH11 ARG 36 HH11 ARG 36 -24.299 13.448 8.451 149 HH12 ARG 36 HH12 ARG 36 -25.674 13.140 9.458 150 HH21 ARG 36 HH21 ARG 36 -27.386 11.277 7.043 151 HH22 ARG 36 HH22 ARG 36 -27.430 11.903 8.656 152 H LYS 37 H LYS 37 -18.277 11.335 5.520 153 HA LYS 37 HA LYS 37 -16.780 13.761 6.257 154 HB2 LYS 37 HB1 LYS 37 -16.007 11.162 6.855 155 HB3 LYS 37 HB2 LYS 37 -15.087 11.551 5.394 156 HG2 LYS 37 HG1 LYS 37 -13.598 12.466 6.781 157 HG3 LYS 37 HG2 LYS 37 -14.748 13.809 6.892 158 HD2 LYS 37 HD1 LYS 37 -15.097 11.447 8.697 159 HD3 LYS 37 HD2 LYS 37 -13.838 12.641 9.061 160 HE2 LYS 37 HE1 LYS 37 -15.380 13.945 10.006 161 HE3 LYS 37 HE2 LYS 37 -16.156 14.105 8.423 162 HZ1 LYS 37 HZ1 LYS 37 -17.725 13.298 10.045 163 HZ2 LYS 37 HZ2 LYS 37 -16.721 11.994 10.435 164 HZ3 LYS 37 HZ3 LYS 37 -17.429 12.086 8.903 165 H GLY 38 H GLY 38 -15.394 14.614 4.604 166 HA2 GLY 38 HA2 GLY 38 -16.397 13.975 1.914 167 HA3 GLY 38 HA3 GLY 38 -15.660 15.495 2.393 168 HA1 GLY 38 HA1 GLY 38 -15.928 13.387 2.374 169 H SER 39 H SER 39 -14.218 12.509 3.400 170 HA SER 39 HA SER 39 -11.960 13.056 1.604 171 HB2 SER 39 HB1 SER 39 -11.921 11.220 4.006 172 HB3 SER 39 HB2 SER 39 -10.547 11.973 3.175 173 HG SER 39 HG SER 39 -12.532 13.565 4.386 174 H GLN 40 H GLN 40 -11.730 11.806 -0.116 175 HA GLN 40 HA GLN 40 -13.322 9.585 -0.692 176 HB2 GLN 40 HB1 GLN 40 -12.077 11.020 -2.342 177 HB3 GLN 40 HB2 GLN 40 -10.603 10.154 -1.875 178 HG2 GLN 40 HG1 GLN 40 -11.805 8.017 -2.520 179 HG3 GLN 40 HG2 GLN 40 -13.030 9.058 -3.257 180 HE21 GLN 40 HE21 GLN 40 -9.856 7.767 -3.519 181 HE22 GLN 40 HE22 GLN 40 -9.492 8.397 -5.086 182 H CYS 41 H CYS 41 -10.150 9.826 0.796 183 HA CYS 41 HA CYS 41 -10.378 7.044 1.646 184 HB2 CYS 41 HB1 CYS 41 -8.148 6.452 0.959 185 HB3 CYS 41 HB2 CYS 41 -9.033 7.038 -0.450 186 H LEU 42 H LEU 42 -9.392 6.602 3.595 187 HA LEU 42 HA LEU 42 -8.670 8.930 5.172 188 HB2 LEU 42 HB1 LEU 42 -9.884 6.406 5.673 189 HB3 LEU 42 HB2 LEU 42 -8.408 6.512 6.647 190 HG LEU 42 HG LEU 42 -9.210 8.530 7.717 191 HD11 LEU 42 HD11 LEU 42 -11.800 8.924 7.150 192 HD12 LEU 42 HD12 LEU 42 -11.227 8.404 5.566 193 HD13 LEU 42 HD13 LEU 42 -10.489 9.797 6.355 194 HD21 LEU 42 HD21 LEU 42 -9.884 6.292 8.582 195 HD22 LEU 42 HD22 LEU 42 -11.405 6.463 7.705 196 HD23 LEU 42 HD23 LEU 42 -11.001 7.591 9.000 197 H SER 43 H SER 43 -7.166 6.133 3.744 198 HA SER 43 HA SER 43 -4.549 7.226 4.320 199 HB2 SER 43 HB1 SER 43 -5.252 5.712 6.288 200 HB3 SER 43 HB2 SER 43 -5.051 4.371 5.147 201 HG SER 43 HG SER 43 -3.155 5.846 6.436 202 H ASP 44 H ASP 44 -2.878 5.369 3.500 203 HA ASP 44 HA ASP 44 -3.383 5.179 0.701 204 HB2 ASP 44 HB1 ASP 44 -1.205 3.918 0.666 205 HB3 ASP 44 HB2 ASP 44 -1.123 5.521 1.408 206 HD2 ASP 44 HD ASP 44 -0.595 2.356 3.733 207 H THR 45 H THR 45 -3.483 2.916 3.390 208 HA THR 45 HA THR 45 -3.631 0.510 2.004 209 HB THR 45 HB THR 45 -5.428 0.661 4.324 210 HG1 THR 45 HG1 THR 45 -3.956 1.362 5.765 211 HG21 THR 45 HG21 THR 45 -3.942 -1.188 5.084 212 HG22 THR 45 HG22 THR 45 -2.970 -0.949 3.633 213 HG23 THR 45 HG23 THR 45 -4.652 -1.463 3.495 214 H ASP 46 H ASP 46 -6.004 3.013 2.394 215 HA ASP 46 HA ASP 46 -8.296 1.468 1.739 216 HB2 ASP 46 HB1 ASP 46 -7.835 4.050 2.628 217 HB3 ASP 46 HB2 ASP 46 -8.437 4.288 0.983 218 HD2 ASP 46 HD ASP 46 -10.926 2.582 3.571 219 H CYS 47 H CYS 47 -5.798 2.984 -0.124 220 HA CYS 47 HA CYS 47 -7.204 3.099 -2.599 221 HB2 CYS 47 HB1 CYS 47 -4.985 4.278 -1.798 222 HB3 CYS 47 HB2 CYS 47 -4.225 2.837 -2.476 223 H ASN 48 H ASN 48 -4.499 0.983 -1.619 224 HA ASN 48 HA ASN 48 -5.722 -1.423 -2.367 225 HB2 ASN 48 HB1 ASN 48 -5.027 0.059 -4.604 226 HB3 ASN 48 HB2 ASN 48 -3.668 -1.055 -4.413 227 HD21 ASN 48 HD21 ASN 48 -6.878 -0.698 -5.432 228 HD22 ASN 48 HD22 ASN 48 -7.193 -2.351 -5.822 229 H THR 49 H THR 49 -3.798 -3.093 -2.990 230 HA THR 49 HA THR 49 -2.070 -3.029 -0.694 231 HB THR 49 HB THR 49 -2.172 -5.020 -2.969 232 HG1 THR 49 HG1 THR 49 -3.784 -5.898 -1.909 233 HG21 THR 49 HG21 THR 49 -0.669 -4.928 -0.381 234 HG22 THR 49 HG22 THR 49 -0.112 -5.414 -1.982 235 HG23 THR 49 HG23 THR 49 -1.168 -6.478 -1.055 236 H ARG 50 H ARG 50 -1.772 -2.378 -4.104 237 HA ARG 50 HA ARG 50 1.100 -1.842 -3.713 238 HB2 ARG 50 HB1 ARG 50 -0.397 -2.934 -6.086 239 HB3 ARG 50 HB2 ARG 50 1.178 -2.150 -6.276 240 HG2 ARG 50 HG1 ARG 50 1.043 -4.245 -4.203 241 HG3 ARG 50 HG2 ARG 50 0.859 -4.788 -5.879 242 HD2 ARG 50 HD1 ARG 50 2.959 -3.095 -6.147 243 HD3 ARG 50 HD2 ARG 50 3.210 -3.674 -4.494 244 HE ARG 50 HE ARG 50 3.884 -5.669 -5.361 245 HH11 ARG 50 HH11 ARG 50 1.934 -4.035 -7.738 246 HH12 ARG 50 HH12 ARG 50 2.197 -5.230 -8.965 247 HH21 ARG 50 HH21 ARG 50 4.238 -7.248 -6.968 248 HH22 ARG 50 HH22 ARG 50 3.506 -7.058 -8.526 249 H LYS 51 H LYS 51 -1.254 -0.085 -3.309 250 HA LYS 51 HA LYS 51 -0.330 2.116 -4.998 251 HB2 LYS 51 HB1 LYS 51 -3.140 1.074 -4.817 252 HB3 LYS 51 HB2 LYS 51 -2.849 2.795 -5.119 253 HG2 LYS 51 HG1 LYS 51 -2.450 2.422 -7.265 254 HG3 LYS 51 HG2 LYS 51 -1.221 1.207 -6.866 255 HD2 LYS 51 HD1 LYS 51 -2.759 -0.554 -6.886 256 HD3 LYS 51 HD2 LYS 51 -4.142 0.542 -6.713 257 HE2 LYS 51 HE1 LYS 51 -2.634 1.153 -9.112 258 HE3 LYS 51 HE2 LYS 51 -3.135 -0.544 -9.080 259 HZ1 LYS 51 HZ1 LYS 51 -5.270 0.000 -9.363 260 HZ2 LYS 51 HZ2 LYS 51 -4.687 1.498 -9.888 261 HZ3 LYS 51 HZ3 LYS 51 -5.202 1.305 -8.289 262 H PHE 52 H PHE 52 -1.060 4.244 -4.184 263 HA PHE 52 HA PHE 52 -1.788 4.245 -1.346 264 HB2 PHE 52 HB1 PHE 52 -0.037 5.905 -0.844 265 HB3 PHE 52 HB2 PHE 52 0.645 4.369 -1.379 266 HD1 PHE 52 HD1 PHE 52 1.827 4.162 -3.457 267 HD2 PHE 52 HD2 PHE 52 0.073 7.866 -2.306 268 HE1 PHE 52 HE1 PHE 52 3.114 5.313 -5.210 269 HE2 PHE 52 HE2 PHE 52 1.357 9.022 -4.057 270 HZ PHE 52 HZ PHE 52 2.879 7.746 -5.513 271 H CYS 53 H CYS 53 -2.139 6.605 -0.604 272 HA CYS 53 HA CYS 53 -3.781 7.908 -2.659 273 HB2 CYS 53 HB1 CYS 53 -3.961 7.595 0.274 274 HB3 CYS 53 HB2 CYS 53 -4.418 9.186 -0.337 275 H LEU 54 H LEU 54 -2.721 9.453 -3.717 276 HA LEU 54 HA LEU 54 -0.647 11.004 -2.400 277 HB2 LEU 54 HB1 LEU 54 -0.601 10.051 -4.806 278 HB3 LEU 54 HB2 LEU 54 -1.620 11.446 -5.198 279 HG LEU 54 HG LEU 54 0.832 12.127 -3.741 280 HD11 LEU 54 HD11 LEU 54 1.925 11.922 -6.199 281 HD12 LEU 54 HD12 LEU 54 0.928 10.467 -6.169 282 HD13 LEU 54 HD13 LEU 54 2.144 10.729 -4.919 283 HD21 LEU 54 HD21 LEU 54 -0.140 14.003 -4.554 284 HD22 LEU 54 HD22 LEU 54 -0.874 13.165 -5.923 285 HD23 LEU 54 HD23 LEU 54 0.834 13.607 -5.970 286 H GLN 55 H GLN 55 -0.865 13.023 -1.659 287 HA GLN 55 HA GLN 55 -3.372 14.447 -2.268 288 HB2 GLN 55 HB1 GLN 55 -2.987 15.559 0.001 289 HB3 GLN 55 HB2 GLN 55 -3.523 13.872 0.007 290 HG2 GLN 55 HG1 GLN 55 -1.179 13.153 0.338 291 HG3 GLN 55 HG2 GLN 55 -0.714 14.857 0.439 292 HE21 GLN 55 HE21 GLN 55 -2.414 12.258 2.007 293 HE22 GLN 55 HE22 GLN 55 -2.520 12.997 3.565 294 HA PRO 56 HA PRO 56 -0.025 17.099 -3.926 295 HB2 PRO 56 HB1 PRO 56 -1.556 18.133 -5.949 296 HB3 PRO 56 HB2 PRO 56 -0.710 16.591 -6.059 297 HG2 PRO 56 HG1 PRO 56 -3.576 17.140 -5.369 298 HG3 PRO 56 HG2 PRO 56 -2.890 15.903 -6.489 299 HD2 PRO 56 HD1 PRO 56 -3.729 15.302 -3.977 300 HD3 PRO 56 HD2 PRO 56 -2.361 14.484 -4.751 301 H ARG 57 H ARG 57 0.267 19.319 -3.756 302 HA ARG 57 HA ARG 57 -1.589 20.675 -2.005 303 HB2 ARG 57 HB1 ARG 57 1.184 20.801 -2.521 304 HB3 ARG 57 HB2 ARG 57 0.518 22.380 -2.961 305 HG2 ARG 57 HG1 ARG 57 -0.109 22.891 -0.821 306 HG3 ARG 57 HG2 ARG 57 -0.293 21.190 -0.363 307 HD2 ARG 57 HD1 ARG 57 2.442 21.667 -1.075 308 HD3 ARG 57 HD2 ARG 57 1.918 22.891 0.088 309 HE ARG 57 HE ARG 57 1.027 20.533 1.139 310 HH11 ARG 57 HH11 ARG 57 4.115 21.769 0.111 311 HH12 ARG 57 HH12 ARG 57 5.019 20.825 1.250 312 HH21 ARG 57 HH21 ARG 57 2.204 19.286 2.642 313 HH22 ARG 57 HH22 ARG 57 3.930 19.412 2.688 314 H ASP 58 H ASP 58 -0.425 20.996 -5.324 315 HA ASP 58 HA ASP 58 -1.973 23.372 -5.826 316 HB2 ASP 58 HB1 ASP 58 -0.412 21.524 -7.647 317 HB3 ASP 58 HB2 ASP 58 -1.251 22.974 -8.210 318 HD2 ASP 58 HD ASP 58 1.127 25.084 -6.795 319 H GLU 59 H GLU 59 -2.472 19.966 -6.017 320 HA GLU 59 HA GLU 59 -5.039 20.429 -7.389 321 HB2 GLU 59 HB1 GLU 59 -3.113 18.119 -7.548 322 HB3 GLU 59 HB2 GLU 59 -4.818 17.930 -7.986 323 HG2 GLU 59 HG1 GLU 59 -4.640 19.500 -9.760 324 HG3 GLU 59 HG2 GLU 59 -3.029 20.002 -9.225 325 HE2 GLU 59 HE GLU 59 -2.086 16.549 -10.308 326 H LYS 60 H LYS 60 -6.455 18.280 -6.926 327 HA LYS 60 HA LYS 60 -6.863 18.333 -4.047 328 HB2 LYS 60 HB1 LYS 60 -8.491 17.732 -6.431 329 HB3 LYS 60 HB2 LYS 60 -8.825 16.706 -5.026 330 HG2 LYS 60 HG1 LYS 60 -10.056 18.305 -4.122 331 HG3 LYS 60 HG2 LYS 60 -8.655 19.392 -4.127 332 HD2 LYS 60 HD1 LYS 60 -9.170 20.019 -6.464 333 HD3 LYS 60 HD2 LYS 60 -10.607 18.983 -6.394 334 HE2 LYS 60 HE1 LYS 60 -11.318 20.371 -4.365 335 HE3 LYS 60 HE2 LYS 60 -10.052 21.506 -4.858 336 HZ1 LYS 60 HZ1 LYS 60 -12.553 21.648 -5.727 337 HZ2 LYS 60 HZ2 LYS 60 -11.895 20.678 -6.946 338 HZ3 LYS 60 HZ3 LYS 60 -11.233 22.202 -6.628 339 HA PRO 61 HA PRO 61 -5.262 14.357 -3.114 340 HB2 PRO 61 HB1 PRO 61 -7.086 13.389 -1.315 341 HB3 PRO 61 HB2 PRO 61 -5.953 14.688 -0.947 342 HG2 PRO 61 HG1 PRO 61 -8.826 14.851 -1.791 343 HG3 PRO 61 HG2 PRO 61 -7.970 15.747 -0.481 344 HD2 PRO 61 HD1 PRO 61 -8.522 16.860 -2.896 345 HD3 PRO 61 HD2 PRO 61 -7.065 17.257 -1.969 346 H PHE 62 H PHE 62 -5.237 12.471 -4.161 347 HA PHE 62 HA PHE 62 -7.709 11.080 -4.779 348 HB2 PHE 62 HB1 PHE 62 -7.380 10.944 -7.137 349 HB3 PHE 62 HB2 PHE 62 -7.265 12.650 -6.702 350 HD1 PHE 62 HD1 PHE 62 -4.812 13.477 -6.132 351 HD2 PHE 62 HD2 PHE 62 -5.763 10.106 -8.551 352 HE1 PHE 62 HE1 PHE 62 -2.605 13.632 -7.210 353 HE2 PHE 62 HE2 PHE 62 -3.557 10.256 -9.632 354 HZ PHE 62 HZ PHE 62 -1.975 12.019 -8.960 355 H CYS 63 H CYS 63 -7.092 8.990 -6.089 356 HA CYS 63 HA CYS 63 -5.030 7.679 -4.519 357 HB2 CYS 63 HB1 CYS 63 -7.460 6.890 -5.873 358 HB3 CYS 63 HB2 CYS 63 -6.120 5.849 -6.358 359 H ALA 64 H ALA 64 -3.082 7.068 -5.241 360 HA ALA 64 HA ALA 64 -2.530 7.351 -8.124 361 HB1 ALA 64 HB1 ALA 64 -1.499 9.157 -6.823 362 HB2 ALA 64 HB2 ALA 64 -0.639 7.959 -5.855 363 HB3 ALA 64 HB3 ALA 64 -0.291 8.117 -7.576 364 H THR 65 H THR 65 -0.449 6.148 -8.734 365 HA THR 65 HA THR 65 -0.641 3.444 -7.611 366 HB THR 65 HB THR 65 1.020 3.799 -10.007 367 HG1 THR 65 HG1 THR 65 -1.724 4.526 -9.981 368 HG21 THR 65 HG21 THR 65 -1.268 2.066 -10.266 369 HG22 THR 65 HG22 THR 65 -0.438 1.773 -8.738 370 HG23 THR 65 HG23 THR 65 0.448 1.659 -10.258 371 H CYS 66 H CYS 66 1.428 2.173 -7.582 372 HA CYS 66 HA CYS 66 3.267 3.290 -5.834 373 HB2 CYS 66 HB1 CYS 66 2.822 0.789 -6.955 374 HB3 CYS 66 HB2 CYS 66 4.442 1.214 -7.515 375 H ARG 67 H ARG 67 5.491 3.871 -6.105 376 HA ARG 67 HA ARG 67 6.032 5.076 -8.737 377 HB2 ARG 67 HB1 ARG 67 6.974 5.888 -5.977 378 HB3 ARG 67 HB2 ARG 67 7.534 6.632 -7.483 379 HG2 ARG 67 HG1 ARG 67 4.659 6.591 -6.558 380 HG3 ARG 67 HG2 ARG 67 5.784 7.942 -6.338 381 HD2 ARG 67 HD1 ARG 67 5.858 7.150 -9.082 382 HD3 ARG 67 HD2 ARG 67 4.169 7.340 -8.590 383 HE ARG 67 HE ARG 67 5.390 9.572 -7.621 384 HH11 ARG 67 HH11 ARG 67 5.167 8.072 -10.754 385 HH12 ARG 67 HH12 ARG 67 5.284 9.567 -11.623 386 HH21 ARG 67 HH21 ARG 67 5.544 11.547 -8.753 387 HH22 ARG 67 HH22 ARG 67 5.500 11.542 -10.483 388 H GLY 68 H GLY 68 7.934 4.670 -9.769 389 HA2 GLY 68 HA2 GLY 68 9.378 2.328 -9.020 390 HA3 GLY 68 HA3 GLY 68 9.759 3.398 -10.362 391 HA1 GLY 68 HA1 GLY 68 9.254 2.898 -8.357 392 H LEU 69 H LEU 69 11.916 2.512 -9.288 393 HA LEU 69 HA LEU 69 12.828 3.864 -6.956 394 HB2 LEU 69 HB1 LEU 69 14.078 2.191 -9.091 395 HB3 LEU 69 HB2 LEU 69 15.123 3.152 -8.030 396 HG LEU 69 HG LEU 69 13.175 1.033 -7.121 397 HD11 LEU 69 HD11 LEU 69 15.456 0.000 -6.408 398 HD12 LEU 69 HD12 LEU 69 16.107 1.028 -7.683 399 HD13 LEU 69 HD13 LEU 69 14.885 -0.185 -8.067 400 HD21 LEU 69 HD21 LEU 69 13.335 2.602 -5.379 401 HD22 LEU 69 HD22 LEU 69 15.060 2.853 -5.649 402 HD23 LEU 69 HD23 LEU 69 14.485 1.333 -4.962 403 H ARG 70 H ARG 70 12.718 4.654 -10.325 404 HA ARG 70 HA ARG 70 14.630 6.823 -10.074 405 HB2 ARG 70 HB1 ARG 70 12.986 5.712 -12.338 406 HB3 ARG 70 HB2 ARG 70 13.833 7.258 -12.492 407 HG2 ARG 70 HG1 ARG 70 15.399 4.916 -11.538 408 HG3 ARG 70 HG2 ARG 70 14.933 4.978 -13.247 409 HD2 ARG 70 HD1 ARG 70 15.894 7.320 -13.315 410 HD3 ARG 70 HD2 ARG 70 16.557 6.991 -11.707 411 HE ARG 70 HE ARG 70 18.200 5.758 -12.694 412 HH11 ARG 70 HH11 ARG 70 15.531 6.030 -14.912 413 HH12 ARG 70 HH12 ARG 70 16.364 5.248 -16.214 414 HH21 ARG 70 HH21 ARG 70 19.307 4.727 -14.401 415 HH22 ARG 70 HH22 ARG 70 18.512 4.507 -15.923 416 H ARG 71 H ARG 71 11.244 6.325 -9.806 417 HA ARG 71 HA ARG 71 10.348 8.929 -10.463 418 HB2 ARG 71 HB1 ARG 71 9.224 6.485 -9.336 419 HB3 ARG 71 HB2 ARG 71 8.539 7.944 -8.607 420 HG2 ARG 71 HG1 ARG 71 7.221 7.148 -10.523 421 HG3 ARG 71 HG2 ARG 71 7.878 8.774 -10.775 422 HD2 ARG 71 HD1 ARG 71 9.622 7.934 -12.197 423 HD3 ARG 71 HD2 ARG 71 9.191 6.265 -11.804 424 HE ARG 71 HE ARG 71 7.931 7.958 -13.742 425 HH11 ARG 71 HH11 ARG 71 7.460 5.256 -11.599 426 HH12 ARG 71 HH12 ARG 71 6.161 4.580 -12.526 427 HH21 ARG 71 HH21 ARG 71 6.222 7.078 -14.970 428 HH22 ARG 71 HH22 ARG 71 5.459 5.617 -14.443 429 H ARG 72 H ARG 72 9.804 10.668 -9.133 430 HA ARG 72 HA ARG 72 11.481 10.949 -6.796 431 HB2 ARG 72 HB1 ARG 72 9.573 12.860 -8.165 432 HB3 ARG 72 HB2 ARG 72 10.582 13.283 -6.775 433 HG2 ARG 72 HG1 ARG 72 12.261 12.120 -8.759 434 HG3 ARG 72 HG2 ARG 72 11.251 13.360 -9.521 435 HD2 ARG 72 HD1 ARG 72 12.610 13.950 -6.914 436 HD3 ARG 72 HD2 ARG 72 13.528 14.016 -8.425 437 HE ARG 72 HE ARG 72 11.250 15.510 -8.860 438 HH11 ARG 72 HH11 ARG 72 13.963 15.582 -6.680 439 HH12 ARG 72 HH12 ARG 72 13.938 17.304 -6.497 440 HH21 ARG 72 HH21 ARG 72 11.206 17.778 -8.628 441 HH22 ARG 72 HH22 ARG 72 12.369 18.553 -7.604 442 H CYS 73 H CYS 73 10.723 11.578 -4.714 443 HA CYS 73 HA CYS 73 7.889 11.112 -4.157 444 HB2 CYS 73 HB1 CYS 73 8.293 9.540 -2.413 445 HB3 CYS 73 HB2 CYS 73 9.163 8.962 -3.836 446 H GLN 74 H GLN 74 7.429 11.612 -1.770 447 HA GLN 74 HA GLN 74 9.138 13.823 -0.849 448 HB2 GLN 74 HB1 GLN 74 6.138 13.762 -1.154 449 HB3 GLN 74 HB2 GLN 74 6.949 14.905 -0.072 450 HG2 GLN 74 HG1 GLN 74 8.326 15.609 -2.105 451 HG3 GLN 74 HG2 GLN 74 7.126 14.725 -3.057 452 HE21 GLN 74 HE21 GLN 74 7.469 17.372 -3.493 453 HE22 GLN 74 HE22 GLN 74 6.101 18.258 -2.920 454 H ARG 75 H ARG 75 6.744 11.370 -0.016 455 HA ARG 75 HA ARG 75 7.671 11.508 2.778 456 HB2 ARG 75 HB1 ARG 75 4.975 11.046 1.580 457 HB3 ARG 75 HB2 ARG 75 5.374 10.225 3.096 458 HG2 ARG 75 HG1 ARG 75 5.978 12.464 4.057 459 HG3 ARG 75 HG2 ARG 75 5.309 13.186 2.586 460 HD2 ARG 75 HD1 ARG 75 3.229 13.015 3.372 461 HD3 ARG 75 HD2 ARG 75 3.450 11.283 3.650 462 HE ARG 75 HE ARG 75 4.712 12.369 5.765 463 HH11 ARG 75 HH11 ARG 75 1.564 12.893 4.375 464 HH12 ARG 75 HH12 ARG 75 0.823 13.312 5.885 465 HH21 ARG 75 HH21 ARG 75 3.749 12.918 7.758 466 HH22 ARG 75 HH22 ARG 75 2.067 13.327 7.809 467 H ASP 76 H ASP 76 8.253 9.634 3.812 468 HA ASP 76 HA ASP 76 9.322 7.548 2.302 469 HB2 ASP 76 HB1 ASP 76 8.457 7.233 5.176 470 HB3 ASP 76 HB2 ASP 76 9.833 6.485 4.355 471 HD2 ASP 76 HD ASP 76 11.879 9.167 5.000 472 H ALA 77 H ALA 77 6.184 7.876 3.855 473 HA ALA 77 HA ALA 77 5.395 5.165 3.312 474 HB1 ALA 77 HB1 ALA 77 4.283 5.936 5.158 475 HB2 ALA 77 HB2 ALA 77 4.089 7.561 4.500 476 HB3 ALA 77 HB3 ALA 77 3.073 6.246 3.913 477 H MET 78 H MET 78 5.252 8.202 1.656 478 HA MET 78 HA MET 78 3.120 7.613 -0.112 479 HB2 MET 78 HB1 MET 78 5.197 9.676 0.158 480 HB3 MET 78 HB2 MET 78 4.705 9.357 -1.512 481 HG2 MET 78 HG1 MET 78 2.381 9.800 -0.955 482 HG3 MET 78 HG2 MET 78 2.827 10.046 0.734 483 HE1 MET 78 HE1 MET 78 5.179 11.313 -2.176 484 HE2 MET 78 HE2 MET 78 3.574 11.239 -2.902 485 HE3 MET 78 HE3 MET 78 4.351 12.801 -2.636 486 H CYS 79 H CYS 79 6.460 6.714 -0.033 487 HA CYS 79 HA CYS 79 6.659 6.005 -2.805 488 HB2 CYS 79 HB1 CYS 79 8.407 6.149 -0.523 489 HB3 CYS 79 HB2 CYS 79 8.600 4.585 -1.318 490 H CYS 80 H CYS 80 7.679 3.573 -3.021 491 HA CYS 80 HA CYS 80 5.411 1.871 -2.722 492 HB2 CYS 80 HB1 CYS 80 8.183 1.569 -3.815 493 HB3 CYS 80 HB2 CYS 80 7.224 0.120 -3.505 494 HA PRO 81 HA PRO 81 6.183 -0.149 1.094 495 HB2 PRO 81 HB1 PRO 81 5.471 -2.736 0.543 496 HB3 PRO 81 HB2 PRO 81 4.310 -1.417 0.691 497 HG2 PRO 81 HG1 PRO 81 5.533 -2.607 -1.775 498 HG3 PRO 81 HG2 PRO 81 3.812 -2.176 -1.451 499 HD2 PRO 81 HD1 PRO 81 5.461 -0.608 -2.932 500 HD3 PRO 81 HD2 PRO 81 4.185 0.055 -1.895 501 H GLY 82 H GLY 82 8.166 -0.460 1.891 502 HA2 GLY 82 HA2 GLY 82 9.937 -2.001 2.383 503 HA3 GLY 82 HA3 GLY 82 9.797 -2.626 0.747 504 HA1 GLY 82 HA1 GLY 82 9.789 -1.139 2.265 505 H THR 83 H THR 83 9.561 0.626 0.457 506 HA THR 83 HA THR 83 12.466 0.915 0.037 507 HB THR 83 HB THR 83 11.907 2.582 -1.719 508 HG1 THR 83 HG1 THR 83 9.258 1.599 -1.678 509 HG21 THR 83 HG21 THR 83 11.509 -0.273 -1.838 510 HG22 THR 83 HG22 THR 83 12.246 0.804 -3.023 511 HG23 THR 83 HG23 THR 83 10.502 0.551 -3.028 512 H LEU 84 H LEU 84 13.130 3.305 -0.017 513 HA LEU 84 HA LEU 84 11.674 4.827 2.036 514 HB2 LEU 84 HB1 LEU 84 14.050 3.551 2.507 515 HB3 LEU 84 HB2 LEU 84 14.584 5.175 2.035 516 HG LEU 84 HG LEU 84 12.877 5.978 3.825 517 HD11 LEU 84 HD11 LEU 84 13.192 4.004 5.676 518 HD12 LEU 84 HD12 LEU 84 12.898 3.078 4.206 519 HD13 LEU 84 HD13 LEU 84 11.728 4.287 4.735 520 HD21 LEU 84 HD21 LEU 84 14.756 6.514 4.872 521 HD22 LEU 84 HD22 LEU 84 15.627 5.381 3.838 522 HD23 LEU 84 HD23 LEU 84 14.986 4.844 5.391 523 H CYS 85 H CYS 85 12.259 7.149 2.062 524 HA CYS 85 HA CYS 85 12.517 8.118 -0.677 525 HB2 CYS 85 HB1 CYS 85 11.330 9.130 1.840 526 HB3 CYS 85 HB2 CYS 85 12.055 10.351 0.794 527 H VAL 86 H VAL 86 14.503 8.539 -1.375 528 HA VAL 86 HA VAL 86 16.341 9.970 0.428 529 HB VAL 86 HB VAL 86 17.171 7.853 -1.560 530 HG11 VAL 86 HG11 VAL 86 19.358 8.080 -0.302 531 HG12 VAL 86 HG12 VAL 86 18.920 9.425 -1.357 532 HG13 VAL 86 HG13 VAL 86 18.696 9.562 0.387 533 HG21 VAL 86 HG21 VAL 86 15.994 6.869 0.343 534 HG22 VAL 86 HG22 VAL 86 17.713 6.475 0.383 535 HG23 VAL 86 HG23 VAL 86 17.068 7.721 1.453 536 H ASN 87 H ASN 87 17.038 11.838 -0.370 537 HA ASN 87 HA ASN 87 17.417 13.569 -1.797 538 HB2 ASN 87 HB1 ASN 87 19.128 11.894 -2.597 539 HB3 ASN 87 HB2 ASN 87 17.978 11.430 -3.858 540 HD21 ASN 87 HD21 ASN 87 19.733 14.198 -2.553 541 HD22 ASN 87 HD22 ASN 87 19.873 15.042 -4.052 542 H ASP 88 H ASP 88 14.729 12.669 -1.560 543 HA ASP 88 HA ASP 88 12.682 13.057 -2.475 544 HB2 ASP 88 HB1 ASP 88 14.221 15.123 -3.337 545 HB3 ASP 88 HB2 ASP 88 13.714 14.427 -4.883 546 HD2 ASP 88 HD ASP 88 10.679 15.953 -4.602 547 H VAL 89 H VAL 89 14.395 10.759 -3.305 548 HA VAL 89 HA VAL 89 12.812 9.998 -5.656 549 HB VAL 89 HB VAL 89 15.781 9.511 -5.380 550 HG11 VAL 89 HG11 VAL 89 13.692 8.337 -7.110 551 HG12 VAL 89 HG12 VAL 89 15.215 8.770 -7.890 552 HG13 VAL 89 HG13 VAL 89 15.207 7.646 -6.530 553 HG21 VAL 89 HG21 VAL 89 14.190 11.563 -6.735 554 HG22 VAL 89 HG22 VAL 89 15.890 11.572 -6.264 555 HG23 VAL 89 HG23 VAL 89 15.393 10.781 -7.761 556 H CYS 90 H CYS 90 12.192 7.866 -5.732 557 HA CYS 90 HA CYS 90 12.075 6.455 -3.289 558 HB2 CYS 90 HB1 CYS 90 10.774 6.340 -5.742 559 HB3 CYS 90 HB2 CYS 90 11.635 4.802 -5.652 560 H THR 91 H THR 91 13.745 5.492 -2.350 561 HA THR 91 HA THR 91 15.651 4.016 -4.048 562 HB THR 91 HB THR 91 16.207 5.410 -1.423 563 HG1 THR 91 HG1 THR 91 17.729 6.527 -2.977 564 HG21 THR 91 HG21 THR 91 17.938 3.690 -3.192 565 HG22 THR 91 HG22 THR 91 17.563 3.459 -1.484 566 HG23 THR 91 HG23 THR 91 18.594 4.797 -1.988 567 H THR 92 H THR 92 15.874 1.906 -3.661 568 HA THR 92 HA THR 92 14.173 0.478 -1.992 569 HB THR 92 HB THR 92 16.395 -1.173 -2.254 570 HG1 THR 92 HG1 THR 92 16.734 -0.714 -4.650 571 HG21 THR 92 HG21 THR 92 14.997 -2.420 -3.549 572 HG22 THR 92 HG22 THR 92 14.483 -1.039 -4.517 573 HG23 THR 92 HG23 THR 92 13.806 -1.290 -2.909 574 H MET 93 H MET 93 14.745 -0.918 -0.151 575 HA MET 93 HA MET 93 16.061 0.605 1.888 576 HB2 MET 93 HB1 MET 93 14.236 -1.613 1.744 577 HB3 MET 93 HB2 MET 93 15.577 -2.012 2.830 578 HG2 MET 93 HG1 MET 93 15.128 0.287 3.907 579 HG3 MET 93 HG2 MET 93 13.584 0.205 3.055 580 HE1 MET 93 HE1 MET 93 15.588 -0.599 6.005 581 HE2 MET 93 HE2 MET 93 14.106 0.234 6.470 582 HE3 MET 93 HE3 MET 93 14.426 -1.395 7.067 583 H GLU 94 H GLU 94 16.834 -2.213 -0.053 584 HA GLU 94 HA GLU 94 19.135 -2.983 1.443 585 HB2 GLU 94 HB1 GLU 94 18.327 -3.604 -1.407 586 HB3 GLU 94 HB2 GLU 94 19.662 -4.381 -0.541 587 HG2 GLU 94 HG1 GLU 94 17.540 -4.724 1.179 588 HG3 GLU 94 HG2 GLU 94 16.803 -4.901 -0.419 589 HE2 GLU 94 HE GLU 94 18.467 -7.883 -1.024 590 H ASP 95 H ASP 95 18.540 -0.790 -1.209 591 HA ASP 95 HA ASP 95 21.312 -0.434 -1.871 592 HB2 ASP 95 HB1 ASP 95 19.057 0.005 -3.259 593 HB3 ASP 95 HB2 ASP 95 19.316 1.634 -2.624 594 HD2 ASP 95 HD ASP 95 21.406 2.104 -5.300 595 H ALA 96 H ALA 96 18.857 1.569 -0.247 596 HA ALA 96 HA ALA 96 20.496 3.733 0.390 597 HB1 ALA 96 HB1 ALA 96 18.055 2.630 1.760 598 HB2 ALA 96 HB2 ALA 96 18.839 4.133 2.248 599 HB3 ALA 96 HB3 ALA 96 18.153 3.982 0.631 600 H THR 97 H THR 97 21.573 4.326 2.312 601 HA THR 97 HA THR 97 23.035 3.999 4.028 602 HB THR 97 HB THR 97 21.210 1.704 4.771 603 HG1 THR 97 HG1 THR 97 19.972 3.187 5.786 604 HG21 THR 97 HG21 THR 97 23.550 2.947 6.029 605 HG22 THR 97 HG22 THR 97 22.812 1.370 6.314 606 HG23 THR 97 HG23 THR 97 22.146 2.809 7.087 607 H GLU 98 H GLU 98 24.815 3.394 2.790 608 HA GLU 98 HA GLU 98 25.292 0.838 1.748 609 HB2 GLU 98 HB1 GLU 98 27.625 1.514 1.560 610 HB3 GLU 98 HB2 GLU 98 26.554 2.833 1.066 611 HG2 GLU 98 HG1 GLU 98 27.007 4.101 2.958 612 HG3 GLU 98 HG2 GLU 98 27.605 2.702 3.861 613 HE2 GLU 98 HE GLU 98 30.703 4.006 3.049 614 H ASN 99 H ASN 99 27.127 -0.601 2.470 615 HA ASN 99 HA ASN 99 27.118 -0.876 5.403 616 HB2 ASN 99 HB1 ASN 99 26.493 -2.835 3.270 617 HB3 ASN 99 HB2 ASN 99 27.516 -3.429 4.583 618 HD21 ASN 99 HD21 ASN 99 24.382 -2.903 3.591 619 HD22 ASN 99 HD22 ASN 99 23.587 -3.072 5.115 620 H LEU 100 H LEU 100 29.027 -1.413 6.392 621 HA LEU 100 HA LEU 100 31.400 -1.524 4.648 622 HB2 LEU 100 HB1 LEU 100 30.858 0.461 6.359 623 HB3 LEU 100 HB2 LEU 100 31.666 -0.660 7.469 624 HG LEU 100 HG LEU 100 33.533 -0.671 5.630 625 HD11 LEU 100 HD11 LEU 100 32.479 2.098 5.190 626 HD12 LEU 100 HD12 LEU 100 32.005 0.761 4.142 627 HD13 LEU 100 HD13 LEU 100 33.704 1.215 4.278 628 HD21 LEU 100 HD21 LEU 100 32.985 0.984 7.946 629 HD22 LEU 100 HD22 LEU 100 34.061 1.781 6.799 630 HD23 LEU 100 HD23 LEU 100 34.482 0.196 7.448 631 H TYR 101 H TYR 101 33.305 -2.607 5.690 632 HA TYR 101 HA TYR 101 32.595 -4.685 7.615 633 HB2 TYR 101 HB1 TYR 101 32.886 -5.146 4.794 634 HB3 TYR 101 HB2 TYR 101 34.192 -5.965 5.655 635 HD1 TYR 101 HD1 TYR 101 33.830 -8.080 6.525 636 HD2 TYR 101 HD2 TYR 101 30.484 -5.548 5.821 637 HE1 TYR 101 HE1 TYR 101 32.316 -9.921 7.135 638 HE2 TYR 101 HE2 TYR 101 28.962 -7.382 6.429 639 HH TYR 101 HH TYR 101 30.212 -10.565 7.395 640 H PHE 102 H PHE 102 34.629 -6.010 8.162 641 HA PHE 102 HA PHE 102 37.023 -4.308 8.068 642 HB2 PHE 102 HB1 PHE 102 37.475 -4.624 10.389 643 HB3 PHE 102 HB2 PHE 102 35.799 -4.085 10.259 644 HD1 PHE 102 HD1 PHE 102 37.979 -6.882 11.109 645 HD2 PHE 102 HD2 PHE 102 33.946 -5.576 10.728 646 HE1 PHE 102 HE1 PHE 102 37.227 -8.845 12.388 647 HE2 PHE 102 HE2 PHE 102 33.188 -7.536 12.008 648 HZ PHE 102 HZ PHE 102 34.828 -9.172 12.841 649 H GLN 103 H GLN 103 38.987 -5.375 8.010 650 HA GLN 103 HA GLN 103 38.807 -8.270 7.523 651 HB2 GLN 103 HB1 GLN 103 39.645 -6.562 5.735 652 HB3 GLN 103 HB2 GLN 103 41.142 -6.591 6.679 653 HG2 GLN 103 HG1 GLN 103 41.431 -8.934 6.309 654 HG3 GLN 103 HG2 GLN 103 39.830 -9.058 5.569 655 HE21 GLN 103 HE21 GLN 103 40.870 -9.988 3.739 656 HE22 GLN 103 HE22 GLN 103 41.654 -8.984 2.572 657 H SER 104 H SER 104 40.518 -9.631 8.281 658 HA SER 104 HA SER 104 41.263 -9.112 10.954 659 HB2 SER 104 HB1 SER 104 42.556 -11.207 10.801 660 HB3 SER 104 HB2 SER 104 40.934 -11.391 10.109 661 HG SER 104 HG SER 104 43.418 -11.349 8.833 662 H LEU 105 H LEU 105 43.398 -8.935 11.845 663 HA LEU 105 HA LEU 105 45.206 -7.423 10.090 664 HB2 LEU 105 HB1 LEU 105 46.183 -6.555 12.207 665 HB3 LEU 105 HB2 LEU 105 44.481 -6.132 11.956 666 HG LEU 105 HG LEU 105 44.429 -8.481 13.470 667 HD11 LEU 105 HD11 LEU 105 46.489 -6.558 14.543 668 HD12 LEU 105 HD12 LEU 105 46.801 -8.193 13.961 669 HD13 LEU 105 HD13 LEU 105 45.816 -7.944 15.402 670 HD21 LEU 105 HD21 LEU 105 43.691 -6.871 15.274 671 HD22 LEU 105 HD22 LEU 105 42.809 -6.786 13.749 672 HD23 LEU 105 HD23 LEU 105 44.032 -5.573 14.129 673 H GLU 106 H GLU 106 47.548 -7.659 10.530 674 HA GLU 106 HA GLU 106 48.196 -10.461 11.168 675 HB2 GLU 106 HB1 GLU 106 49.792 -8.580 9.419 676 HB3 GLU 106 HB2 GLU 106 50.032 -10.323 9.622 677 HG2 GLU 106 HG1 GLU 106 47.908 -10.779 8.534 678 HG3 GLU 106 HG2 GLU 106 47.611 -9.042 8.375 679 HE2 GLU 106 HE GLU 106 49.470 -8.867 5.504 680 H HIS 107 H HIS 107 50.646 -10.654 11.748 681 HA HIS 107 HA HIS 107 51.149 -8.709 13.895 682 HB2 HIS 107 HB1 HIS 107 52.467 -10.433 14.986 683 HB3 HIS 107 HB2 HIS 107 50.859 -11.058 14.602 684 HD1 HIS 107 HD1 HIS 107 54.381 -11.202 13.190 685 HD2 HIS 107 HD2 HIS 107 50.845 -13.384 13.198 686 HE1 HIS 107 HE1 HIS 107 54.917 -13.356 12.008 687 HE2 HIS 107 HE2 HIS 107 52.758 -14.690 12.014 688 H HIS 108 H HIS 108 53.630 -8.674 14.454 689 HA HIS 108 HA HIS 108 55.216 -8.525 11.991 690 HB2 HIS 108 HB1 HIS 108 54.200 -6.282 13.391 691 HB3 HIS 108 HB2 HIS 108 55.934 -6.348 13.723 692 HD1 HIS 108 HD1 HIS 108 53.767 -6.669 10.601 693 HD2 HIS 108 HD2 HIS 108 57.350 -4.994 11.875 694 HE1 HIS 108 HE1 HIS 108 54.696 -5.465 8.597 695 HE2 HIS 108 HE2 HIS 108 56.886 -4.442 9.375 696 H HIS 109 H HIS 109 57.393 -8.934 12.234 697 HA HIS 109 HA HIS 109 58.139 -10.222 14.728 698 HB2 HIS 109 HB1 HIS 109 59.054 -10.291 11.923 699 HB3 HIS 109 HB2 HIS 109 60.340 -10.438 13.127 700 HD1 HIS 109 HD1 HIS 109 57.087 -12.141 12.183 701 HD2 HIS 109 HD2 HIS 109 60.620 -12.916 14.226 702 HE1 HIS 109 HE1 HIS 109 57.016 -14.592 12.743 703 HE2 HIS 109 HE2 HIS 109 59.174 -15.066 13.992 704 H HIS 110 H HIS 110 59.404 -9.352 16.238 705 HA HIS 110 HA HIS 110 60.542 -6.709 15.740 706 HB2 HIS 110 HB1 HIS 110 59.975 -8.289 18.246 707 HB3 HIS 110 HB2 HIS 110 60.950 -6.816 18.274 708 HD1 HIS 110 HD1 HIS 110 59.573 -4.945 19.092 709 HD2 HIS 110 HD2 HIS 110 57.401 -7.482 16.622 710 HE1 HIS 110 HE1 HIS 110 57.287 -3.913 18.912 711 HE2 HIS 110 HE2 HIS 110 55.957 -5.462 17.400 712 H HIS 111 H HIS 111 62.565 -6.634 15.031 713 HA HIS 111 HA HIS 111 64.404 -8.814 15.505 714 HB2 HIS 111 HB1 HIS 111 64.329 -6.388 13.792 715 HB3 HIS 111 HB2 HIS 111 65.929 -6.964 14.272 716 HD1 HIS 111 HD1 HIS 111 63.535 -7.405 11.676 717 HD2 HIS 111 HD2 HIS 111 66.181 -9.915 13.666 718 HE1 HIS 111 HE1 HIS 111 63.818 -9.406 10.180 719 HE2 HIS 111 HE2 HIS 111 65.433 -10.941 11.396 720 H HIS 112 H HIS 112 65.962 -8.894 16.999 721 HA HIS 112 HA HIS 112 66.052 -7.010 19.105 722 HB2 HIS 112 HB1 HIS 112 68.062 -8.309 19.855 723 HB3 HIS 112 HB2 HIS 112 66.618 -9.288 19.581 724 HD1 HIS 112 HD1 HIS 112 68.342 -11.314 19.339 725 HD2 HIS 112 HD2 HIS 112 68.471 -8.454 16.329 726 HE1 HIS 112 HE1 HIS 112 69.594 -12.390 17.443 727 HE2 HIS 112 HE2 HIS 112 69.672 -10.642 15.602 Start of MODEL 16 1 H1 MET 18 H MET 18 -63.659 -7.027 20.332 2 HA MET 18 HA MET 18 -64.305 -4.912 19.805 3 HB2 MET 18 HB1 MET 18 -62.713 -4.568 22.303 4 HB3 MET 18 HB2 MET 18 -63.153 -3.114 21.395 5 HG2 MET 18 HG1 MET 18 -65.518 -3.712 21.536 6 HG3 MET 18 HG2 MET 18 -65.086 -5.180 22.418 7 HE1 MET 18 HE1 MET 18 -66.014 -1.394 22.833 8 HE2 MET 18 HE2 MET 18 -64.790 -0.876 23.992 9 HE3 MET 18 HE3 MET 18 -64.309 -1.406 22.380 10 H LEU 19 H LEU 19 -63.626 -4.283 17.858 11 HA LEU 19 HA LEU 19 -60.821 -3.452 17.547 12 HB2 LEU 19 HB1 LEU 19 -62.655 -4.983 15.900 13 HB3 LEU 19 HB2 LEU 19 -61.969 -3.607 15.017 14 HG LEU 19 HG LEU 19 -59.814 -4.869 16.325 15 HD11 LEU 19 HD11 LEU 19 -61.240 -6.834 16.601 16 HD12 LEU 19 HD12 LEU 19 -59.935 -7.139 15.454 17 HD13 LEU 19 HD13 LEU 19 -61.572 -6.840 14.868 18 HD21 LEU 19 HD21 LEU 19 -60.460 -5.287 13.438 19 HD22 LEU 19 HD22 LEU 19 -58.909 -4.940 14.203 20 HD23 LEU 19 HD23 LEU 19 -60.116 -3.664 14.036 21 H VAL 20 H VAL 20 -60.571 -1.327 17.700 22 HA VAL 20 HA VAL 20 -62.682 0.541 17.324 23 HB VAL 20 HB VAL 20 -60.966 2.270 17.606 24 HG11 VAL 20 HG11 VAL 20 -60.233 1.650 19.855 25 HG12 VAL 20 HG12 VAL 20 -61.919 1.201 19.583 26 HG13 VAL 20 HG13 VAL 20 -60.657 -0.031 19.532 27 HG21 VAL 20 HG21 VAL 20 -58.611 1.440 18.123 28 HG22 VAL 20 HG22 VAL 20 -59.089 -0.061 17.330 29 HG23 VAL 20 HG23 VAL 20 -59.101 1.455 16.428 30 H LEU 21 H LEU 21 -62.999 2.052 15.689 31 HA LEU 21 HA LEU 21 -62.159 1.187 13.065 32 HB2 LEU 21 HB1 LEU 21 -64.352 2.597 14.157 33 HB3 LEU 21 HB2 LEU 21 -63.537 3.695 13.030 34 HG LEU 21 HG LEU 21 -63.681 1.626 11.410 35 HD11 LEU 21 HD11 LEU 21 -66.256 1.103 12.750 36 HD12 LEU 21 HD12 LEU 21 -64.821 0.434 13.526 37 HD13 LEU 21 HD13 LEU 21 -65.197 0.014 11.855 38 HD21 LEU 21 HD21 LEU 21 -66.338 2.680 11.475 39 HD22 LEU 21 HD22 LEU 21 -65.027 3.035 10.350 40 HD23 LEU 21 HD23 LEU 21 -65.188 3.965 11.841 41 H ASP 22 H ASP 22 -60.822 2.246 11.663 42 HA ASP 22 HA ASP 22 -58.920 4.070 12.824 43 HB2 ASP 22 HB1 ASP 22 -57.695 3.856 10.767 44 HB3 ASP 22 HB2 ASP 22 -58.290 2.253 11.220 45 HD2 ASP 22 HD ASP 22 -59.105 3.293 7.692 46 H PHE 23 H PHE 23 -58.206 5.825 10.961 47 HA PHE 23 HA PHE 23 -60.279 7.194 9.633 48 HB2 PHE 23 HB1 PHE 23 -61.069 7.672 11.903 49 HB3 PHE 23 HB2 PHE 23 -59.492 8.346 12.319 50 HD1 PHE 23 HD1 PHE 23 -62.282 8.820 9.902 51 HD2 PHE 23 HD2 PHE 23 -59.103 10.609 12.094 52 HE1 PHE 23 HE1 PHE 23 -63.008 11.042 9.133 53 HE2 PHE 23 HE2 PHE 23 -59.825 12.834 11.330 54 HZ PHE 23 HZ PHE 23 -61.779 13.053 9.848 55 H ASN 24 H ASN 24 -58.553 7.110 8.106 56 HA ASN 24 HA ASN 24 -56.739 7.900 6.974 57 HB2 ASN 24 HB1 ASN 24 -57.526 10.374 8.532 58 HB3 ASN 24 HB2 ASN 24 -56.331 10.372 7.231 59 HD21 ASN 24 HD21 ASN 24 -57.482 11.706 5.890 60 HD22 ASN 24 HD22 ASN 24 -58.942 11.221 5.104 61 H ASN 25 H ASN 25 -55.312 6.458 8.105 62 HA ASN 25 HA ASN 25 -53.603 7.800 10.095 63 HB2 ASN 25 HB1 ASN 25 -54.013 4.835 9.615 64 HB3 ASN 25 HB2 ASN 25 -52.948 5.540 10.837 65 HD21 ASN 25 HD21 ASN 25 -53.780 5.364 12.776 66 HD22 ASN 25 HD22 ASN 25 -55.442 5.577 13.199 67 H ILE 26 H ILE 26 -51.292 6.869 10.069 68 HA ILE 26 HA ILE 26 -49.285 6.759 9.002 69 HB ILE 26 HB ILE 26 -50.883 5.353 6.859 70 HG12 ILE 26 HG11 ILE 26 -49.141 3.773 8.608 71 HG13 ILE 26 HG12 ILE 26 -50.469 4.565 9.472 72 HG21 ILE 26 HG21 ILE 26 -48.996 5.479 5.680 73 HG22 ILE 26 HG22 ILE 26 -48.083 6.086 7.060 74 HG23 ILE 26 HG23 ILE 26 -48.312 4.349 6.849 75 HD11 ILE 26 HD11 ILE 26 -50.528 2.263 7.730 76 HD12 ILE 26 HD12 ILE 26 -51.736 2.850 8.874 77 HD13 ILE 26 HD13 ILE 26 -51.688 3.496 7.234 78 H ARG 27 H ARG 27 -49.084 8.999 8.710 79 HA ARG 27 HA ARG 27 -49.118 9.817 5.921 80 HB2 ARG 27 HB1 ARG 27 -51.344 10.458 6.931 81 HB3 ARG 27 HB2 ARG 27 -50.452 11.541 8.009 82 HG2 ARG 27 HG1 ARG 27 -49.687 12.876 6.187 83 HG3 ARG 27 HG2 ARG 27 -50.312 11.710 5.010 84 HD2 ARG 27 HD1 ARG 27 -52.058 13.195 6.982 85 HD3 ARG 27 HD2 ARG 27 -51.727 13.758 5.337 86 HE ARG 27 HE ARG 27 -53.556 11.716 6.100 87 HH11 ARG 27 HH11 ARG 27 -51.369 12.698 3.575 88 HH12 ARG 27 HH12 ARG 27 -52.224 11.854 2.327 89 HH21 ARG 27 HH21 ARG 27 -54.691 10.600 4.464 90 HH22 ARG 27 HH22 ARG 27 -54.114 10.662 2.833 91 H SER 28 H SER 28 -47.282 10.833 5.465 92 HA SER 28 HA SER 28 -46.100 12.838 7.040 93 HB2 SER 28 HB1 SER 28 -44.504 11.817 8.298 94 HB3 SER 28 HB2 SER 28 -45.607 10.434 8.192 95 HG SER 28 HG SER 28 -43.175 10.364 7.480 96 H SER 29 H SER 29 -43.786 13.299 6.262 97 HA SER 29 HA SER 29 -43.515 12.537 3.429 98 HB2 SER 29 HB1 SER 29 -42.462 14.993 3.333 99 HB3 SER 29 HB2 SER 29 -44.194 14.704 3.094 100 HG SER 29 HG SER 29 -43.535 16.386 4.678 101 H ALA 30 H ALA 30 -41.301 12.939 2.569 102 HA ALA 30 HA ALA 30 -39.288 12.384 4.650 103 HB1 ALA 30 HB1 ALA 30 -38.329 11.595 2.101 104 HB2 ALA 30 HB2 ALA 30 -38.720 10.581 3.491 105 HB3 ALA 30 HB3 ALA 30 -39.959 10.951 2.292 106 H ASP 31 H ASP 31 -39.977 14.151 1.686 107 HA ASP 31 HA ASP 31 -39.030 15.991 0.742 108 HB2 ASP 31 HB1 ASP 31 -38.505 16.256 3.624 109 HB3 ASP 31 HB2 ASP 31 -37.388 17.168 2.600 110 HD2 ASP 31 HD ASP 31 -41.091 18.226 1.790 111 H LEU 32 H LEU 32 -36.800 17.090 0.349 112 HA LEU 32 HA LEU 32 -34.571 15.228 0.556 113 HB2 LEU 32 HB1 LEU 32 -34.080 15.337 -1.842 114 HB3 LEU 32 HB2 LEU 32 -35.636 14.556 -1.507 115 HG LEU 32 HG LEU 32 -36.173 17.292 -1.967 116 HD11 LEU 32 HD11 LEU 32 -35.010 17.958 -3.778 117 HD12 LEU 32 HD12 LEU 32 -34.864 16.324 -4.424 118 HD13 LEU 32 HD13 LEU 32 -33.789 16.860 -3.132 119 HD21 LEU 32 HD21 LEU 32 -36.730 14.679 -3.279 120 HD22 LEU 32 HD22 LEU 32 -37.119 16.162 -4.149 121 HD23 LEU 32 HD23 LEU 32 -37.844 15.849 -2.571 122 H HIS 33 H HIS 33 -32.525 16.219 -0.250 123 HA HIS 33 HA HIS 33 -32.522 19.087 0.380 124 HB2 HIS 33 HB1 HIS 33 -30.393 16.952 0.535 125 HB3 HIS 33 HB2 HIS 33 -30.006 18.672 0.649 126 HD1 HIS 33 HD1 HIS 33 -30.159 19.707 2.906 127 HD2 HIS 33 HD2 HIS 33 -32.227 16.110 2.689 128 HE1 HIS 33 HE1 HIS 33 -30.921 19.226 5.254 129 HE2 HIS 33 HE2 HIS 33 -32.186 17.029 5.122 130 H GLY 34 H GLY 34 -30.873 16.791 -1.801 131 HA2 GLY 34 HA2 GLY 34 -30.703 17.100 -4.150 132 HA3 GLY 34 HA3 GLY 34 -31.017 18.814 -3.919 133 HA1 GLY 34 HA1 GLY 34 -30.189 16.912 -3.458 134 H ALA 35 H ALA 35 -29.290 20.082 -2.861 135 HA ALA 35 HA ALA 35 -26.772 19.515 -4.096 136 HB1 ALA 35 HB1 ALA 35 -26.063 21.634 -3.277 137 HB2 ALA 35 HB2 ALA 35 -27.741 21.806 -3.792 138 HB3 ALA 35 HB3 ALA 35 -27.355 21.670 -2.076 139 H ARG 36 H ARG 36 -25.108 18.423 -3.284 140 HA ARG 36 HA ARG 36 -24.515 18.425 -0.467 141 HB2 ARG 36 HB1 ARG 36 -26.258 16.662 -0.663 142 HB3 ARG 36 HB2 ARG 36 -25.208 15.803 -1.801 143 HG2 ARG 36 HG1 ARG 36 -23.523 15.490 -0.094 144 HG3 ARG 36 HG2 ARG 36 -24.486 16.437 1.053 145 HD2 ARG 36 HD1 ARG 36 -25.436 13.878 -0.254 146 HD3 ARG 36 HD2 ARG 36 -24.680 13.966 1.344 147 HE ARG 36 HE ARG 36 -26.933 15.713 1.096 148 HH11 ARG 36 HH11 ARG 36 -25.948 12.435 1.729 149 HH12 ARG 36 HH12 ARG 36 -27.367 12.047 2.643 150 HH21 ARG 36 HH21 ARG 36 -28.807 15.214 2.296 151 HH22 ARG 36 HH22 ARG 36 -28.993 13.627 2.964 152 H LYS 37 H LYS 37 -22.456 17.462 0.019 153 HA LYS 37 HA LYS 37 -20.807 16.607 -2.216 154 HB2 LYS 37 HB1 LYS 37 -19.035 18.265 -1.702 155 HB3 LYS 37 HB2 LYS 37 -20.521 19.005 -2.321 156 HG2 LYS 37 HG1 LYS 37 -20.341 18.794 0.616 157 HG3 LYS 37 HG2 LYS 37 -19.181 19.888 -0.158 158 HD2 LYS 37 HD1 LYS 37 -21.421 20.610 -1.473 159 HD3 LYS 37 HD2 LYS 37 -22.121 20.093 0.071 160 HE2 LYS 37 HE1 LYS 37 -21.696 22.370 0.397 161 HE3 LYS 37 HE2 LYS 37 -20.322 21.561 1.163 162 HZ1 LYS 37 HZ1 LYS 37 -20.305 23.426 -0.945 163 HZ2 LYS 37 HZ2 LYS 37 -19.638 21.975 -1.499 164 HZ3 LYS 37 HZ3 LYS 37 -18.990 22.736 -0.135 165 H GLY 38 H GLY 38 -18.471 16.195 -1.347 166 HA2 GLY 38 HA2 GLY 38 -18.037 15.696 1.386 167 HA3 GLY 38 HA3 GLY 38 -18.647 14.224 0.644 168 HA1 GLY 38 HA1 GLY 38 -17.694 16.123 0.694 169 H SER 39 H SER 39 -16.261 13.967 1.708 170 HA SER 39 HA SER 39 -14.104 14.675 -0.026 171 HB2 SER 39 HB1 SER 39 -14.387 13.617 2.588 172 HB3 SER 39 HB2 SER 39 -13.444 12.440 1.656 173 HG SER 39 HG SER 39 -12.868 15.168 2.122 174 H GLN 40 H GLN 40 -12.554 12.704 -0.611 175 HA GLN 40 HA GLN 40 -14.180 10.913 -2.279 176 HB2 GLN 40 HB1 GLN 40 -12.312 12.582 -3.150 177 HB3 GLN 40 HB2 GLN 40 -11.247 11.237 -2.708 178 HG2 GLN 40 HG1 GLN 40 -13.545 10.334 -4.233 179 HG3 GLN 40 HG2 GLN 40 -12.605 11.557 -5.096 180 HE21 GLN 40 HE21 GLN 40 -10.544 11.096 -5.776 181 HE22 GLN 40 HE22 GLN 40 -9.873 9.504 -5.735 182 H CYS 41 H CYS 41 -11.508 11.004 0.012 183 HA CYS 41 HA CYS 41 -11.981 8.216 0.664 184 HB2 CYS 41 HB1 CYS 41 -9.733 7.470 0.330 185 HB3 CYS 41 HB2 CYS 41 -10.279 8.204 -1.178 186 H LEU 42 H LEU 42 -11.376 7.675 2.740 187 HA LEU 42 HA LEU 42 -10.735 9.937 4.465 188 HB2 LEU 42 HB1 LEU 42 -12.645 8.310 4.887 189 HB3 LEU 42 HB2 LEU 42 -11.395 7.130 5.318 190 HG LEU 42 HG LEU 42 -10.842 9.408 6.855 191 HD11 LEU 42 HD11 LEU 42 -13.299 9.926 6.148 192 HD12 LEU 42 HD12 LEU 42 -12.795 10.134 7.824 193 HD13 LEU 42 HD13 LEU 42 -13.695 8.696 7.348 194 HD21 LEU 42 HD21 LEU 42 -10.895 7.921 8.576 195 HD22 LEU 42 HD22 LEU 42 -10.841 6.781 7.232 196 HD23 LEU 42 HD23 LEU 42 -12.379 7.151 8.013 197 H SER 43 H SER 43 -9.369 6.932 3.339 198 HA SER 43 HA SER 43 -6.805 7.681 4.496 199 HB2 SER 43 HB1 SER 43 -6.858 4.944 4.994 200 HB3 SER 43 HB2 SER 43 -6.996 6.231 6.205 201 HG SER 43 HG SER 43 -9.275 5.347 4.809 202 H ASP 44 H ASP 44 -5.021 6.340 3.647 203 HA ASP 44 HA ASP 44 -5.090 6.156 0.866 204 HB2 ASP 44 HB1 ASP 44 -2.950 4.833 1.128 205 HB3 ASP 44 HB2 ASP 44 -2.976 6.405 1.938 206 HD2 ASP 44 HD ASP 44 -2.718 3.148 4.146 207 H THR 45 H THR 45 -5.868 3.806 3.320 208 HA THR 45 HA THR 45 -5.740 1.472 1.754 209 HB THR 45 HB THR 45 -7.830 1.094 3.592 210 HG1 THR 45 HG1 THR 45 -7.088 2.075 5.454 211 HG21 THR 45 HG21 THR 45 -6.127 -0.177 4.842 212 HG22 THR 45 HG22 THR 45 -4.869 0.558 3.848 213 HG23 THR 45 HG23 THR 45 -6.065 -0.508 3.112 214 H ASP 46 H ASP 46 -8.098 4.008 1.963 215 HA ASP 46 HA ASP 46 -10.295 2.587 0.860 216 HB2 ASP 46 HB1 ASP 46 -9.971 5.045 2.022 217 HB3 ASP 46 HB2 ASP 46 -10.184 5.477 0.321 218 HD2 ASP 46 HD ASP 46 -13.244 3.498 1.900 219 H CYS 47 H CYS 47 -7.522 4.176 -0.499 220 HA CYS 47 HA CYS 47 -8.465 4.581 -3.119 221 HB2 CYS 47 HB1 CYS 47 -6.079 5.006 -1.725 222 HB3 CYS 47 HB2 CYS 47 -5.646 3.891 -3.022 223 H ASN 48 H ASN 48 -6.444 1.941 -1.824 224 HA ASN 48 HA ASN 48 -7.821 -0.070 -3.265 225 HB2 ASN 48 HB1 ASN 48 -5.691 1.312 -4.663 226 HB3 ASN 48 HB2 ASN 48 -5.304 -0.402 -4.459 227 HD21 ASN 48 HD21 ASN 48 -6.557 1.651 -6.572 228 HD22 ASN 48 HD22 ASN 48 -7.693 0.634 -7.384 229 H THR 49 H THR 49 -4.345 0.323 -2.620 230 HA THR 49 HA THR 49 -4.359 -1.079 -0.165 231 HB THR 49 HB THR 49 -2.852 -2.939 -1.622 232 HG1 THR 49 HG1 THR 49 -3.816 -2.807 -3.528 233 HG21 THR 49 HG21 THR 49 -4.309 -3.190 0.454 234 HG22 THR 49 HG22 THR 49 -4.331 -4.530 -0.694 235 HG23 THR 49 HG23 THR 49 -5.667 -3.380 -0.653 236 H ARG 50 H ARG 50 -2.180 -1.207 -2.986 237 HA ARG 50 HA ARG 50 -0.015 -0.210 -1.294 238 HB2 ARG 50 HB1 ARG 50 0.084 -1.287 -4.122 239 HB3 ARG 50 HB2 ARG 50 1.474 -0.929 -3.086 240 HG2 ARG 50 HG1 ARG 50 1.332 -2.874 -1.990 241 HG3 ARG 50 HG2 ARG 50 -0.435 -2.786 -1.887 242 HD2 ARG 50 HD1 ARG 50 -0.131 -4.629 -3.258 243 HD3 ARG 50 HD2 ARG 50 -0.362 -3.321 -4.426 244 HE ARG 50 HE ARG 50 2.320 -3.379 -4.121 245 HH11 ARG 50 HH11 ARG 50 -0.051 -5.831 -4.818 246 HH12 ARG 50 HH12 ARG 50 1.038 -6.804 -5.751 247 HH21 ARG 50 HH21 ARG 50 3.763 -4.651 -5.347 248 HH22 ARG 50 HH22 ARG 50 3.208 -6.131 -6.050 249 H LYS 51 H LYS 51 -2.025 1.643 -2.006 250 HA LYS 51 HA LYS 51 -0.415 3.526 -3.580 251 HB2 LYS 51 HB1 LYS 51 -3.403 3.135 -3.886 252 HB3 LYS 51 HB2 LYS 51 -2.421 4.350 -4.720 253 HG2 LYS 51 HG1 LYS 51 -1.337 2.749 -6.048 254 HG3 LYS 51 HG2 LYS 51 -1.874 1.416 -5.009 255 HD2 LYS 51 HD1 LYS 51 -3.933 1.306 -5.963 256 HD3 LYS 51 HD2 LYS 51 -4.008 3.057 -6.231 257 HE2 LYS 51 HE1 LYS 51 -3.649 2.588 -8.394 258 HE3 LYS 51 HE2 LYS 51 -1.975 2.289 -7.905 259 HZ1 LYS 51 HZ1 LYS 51 -2.916 -0.075 -7.380 260 HZ2 LYS 51 HZ2 LYS 51 -2.469 0.342 -8.957 261 HZ3 LYS 51 HZ3 LYS 51 -4.099 0.361 -8.507 262 H PHE 52 H PHE 52 -0.907 5.774 -3.164 263 HA PHE 52 HA PHE 52 -1.972 6.165 -0.450 264 HB2 PHE 52 HB1 PHE 52 -0.655 8.333 -0.544 265 HB3 PHE 52 HB2 PHE 52 0.299 6.848 -0.512 266 HD1 PHE 52 HD1 PHE 52 -1.209 9.181 -3.000 267 HD2 PHE 52 HD2 PHE 52 2.040 6.624 -1.989 268 HE1 PHE 52 HE1 PHE 52 -0.035 9.868 -5.051 269 HE2 PHE 52 HE2 PHE 52 3.220 7.307 -4.038 270 HZ PHE 52 HZ PHE 52 2.182 8.932 -5.571 271 H CYS 53 H CYS 53 -3.266 8.015 -0.008 272 HA CYS 53 HA CYS 53 -5.100 8.630 -2.137 273 HB2 CYS 53 HB1 CYS 53 -4.984 8.994 0.791 274 HB3 CYS 53 HB2 CYS 53 -5.855 10.256 -0.081 275 H LEU 54 H LEU 54 -4.280 9.962 -3.659 276 HA LEU 54 HA LEU 54 -2.745 12.308 -2.891 277 HB2 LEU 54 HB1 LEU 54 -2.512 10.654 -4.991 278 HB3 LEU 54 HB2 LEU 54 -3.573 11.884 -5.701 279 HG LEU 54 HG LEU 54 -1.232 12.312 -6.232 280 HD11 LEU 54 HD11 LEU 54 -1.106 14.644 -5.342 281 HD12 LEU 54 HD12 LEU 54 -2.525 14.283 -4.359 282 HD13 LEU 54 HD13 LEU 54 -2.635 14.233 -6.117 283 HD21 LEU 54 HD21 LEU 54 -0.717 11.414 -3.687 284 HD22 LEU 54 HD22 LEU 54 -0.445 13.152 -3.554 285 HD23 LEU 54 HD23 LEU 54 0.440 12.209 -4.755 286 H GLN 55 H GLN 55 -3.798 14.073 -2.278 287 HA GLN 55 HA GLN 55 -6.160 14.898 -3.819 288 HB2 GLN 55 HB1 GLN 55 -7.102 15.815 -1.657 289 HB3 GLN 55 HB2 GLN 55 -7.097 14.050 -1.810 290 HG2 GLN 55 HG1 GLN 55 -5.673 13.758 -0.100 291 HG3 GLN 55 HG2 GLN 55 -4.706 15.175 -0.541 292 HE21 GLN 55 HE21 GLN 55 -6.329 14.001 1.909 293 HE22 GLN 55 HE22 GLN 55 -7.000 15.433 2.602 294 HA PRO 56 HA PRO 56 -3.116 18.321 -3.839 295 HB2 PRO 56 HB1 PRO 56 -3.814 19.209 -6.335 296 HB3 PRO 56 HB2 PRO 56 -2.680 17.890 -6.053 297 HG2 PRO 56 HG1 PRO 56 -5.604 17.776 -6.704 298 HG3 PRO 56 HG2 PRO 56 -4.244 16.818 -7.397 299 HD2 PRO 56 HD1 PRO 56 -5.926 15.823 -5.513 300 HD3 PRO 56 HD2 PRO 56 -4.213 15.376 -5.599 301 H ARG 57 H ARG 57 -3.430 20.542 -3.609 302 HA ARG 57 HA ARG 57 -6.101 21.317 -2.830 303 HB2 ARG 57 HB1 ARG 57 -3.931 21.928 -1.617 304 HB3 ARG 57 HB2 ARG 57 -3.681 23.108 -2.911 305 HG2 ARG 57 HG1 ARG 57 -6.190 23.760 -2.213 306 HG3 ARG 57 HG2 ARG 57 -5.591 23.139 -0.666 307 HD2 ARG 57 HD1 ARG 57 -3.544 24.776 -1.742 308 HD3 ARG 57 HD2 ARG 57 -5.068 25.656 -1.915 309 HE ARG 57 HE ARG 57 -5.051 24.670 0.663 310 HH11 ARG 57 HH11 ARG 57 -3.089 26.809 -1.262 311 HH12 ARG 57 HH12 ARG 57 -2.574 27.763 0.089 312 HH21 ARG 57 HH21 ARG 57 -4.380 25.920 2.449 313 HH22 ARG 57 HH22 ARG 57 -3.308 27.256 2.200 314 H ASP 58 H ASP 58 -3.965 21.793 -5.524 315 HA ASP 58 HA ASP 58 -5.572 23.959 -6.619 316 HB2 ASP 58 HB1 ASP 58 -3.925 24.046 -8.406 317 HB3 ASP 58 HB2 ASP 58 -3.108 24.016 -6.837 318 HD2 ASP 58 HD ASP 58 -2.228 20.564 -7.478 319 H GLU 59 H GLU 59 -5.259 20.535 -6.870 320 HA GLU 59 HA GLU 59 -7.149 20.543 -9.132 321 HB2 GLU 59 HB1 GLU 59 -4.603 19.406 -9.055 322 HB3 GLU 59 HB2 GLU 59 -5.707 18.043 -8.808 323 HG2 GLU 59 HG1 GLU 59 -6.979 19.085 -10.851 324 HG3 GLU 59 HG2 GLU 59 -5.405 19.827 -11.169 325 HE2 GLU 59 HE GLU 59 -3.972 16.749 -11.989 326 H LYS 60 H LYS 60 -8.128 18.122 -9.205 327 HA LYS 60 HA LYS 60 -9.592 17.897 -6.705 328 HB2 LYS 60 HB1 LYS 60 -9.954 16.934 -9.502 329 HB3 LYS 60 HB2 LYS 60 -10.704 15.989 -8.206 330 HG2 LYS 60 HG1 LYS 60 -12.283 17.535 -7.795 331 HG3 LYS 60 HG2 LYS 60 -11.162 18.884 -8.046 332 HD2 LYS 60 HD1 LYS 60 -11.469 18.893 -10.357 333 HD3 LYS 60 HD2 LYS 60 -12.088 17.233 -10.369 334 HE2 LYS 60 HE1 LYS 60 -14.072 18.108 -9.028 335 HE3 LYS 60 HE2 LYS 60 -13.484 19.727 -9.430 336 HZ1 LYS 60 HZ1 LYS 60 -14.768 17.752 -11.129 337 HZ2 LYS 60 HZ2 LYS 60 -13.502 18.618 -11.841 338 HZ3 LYS 60 HZ3 LYS 60 -14.830 19.441 -11.194 339 HA PRO 61 HA PRO 61 -7.601 14.332 -5.100 340 HB2 PRO 61 HB1 PRO 61 -9.700 12.873 -4.113 341 HB3 PRO 61 HB2 PRO 61 -9.124 14.369 -3.379 342 HG2 PRO 61 HG1 PRO 61 -11.410 13.935 -5.271 343 HG3 PRO 61 HG2 PRO 61 -11.351 14.919 -3.760 344 HD2 PRO 61 HD1 PRO 61 -11.179 16.021 -6.235 345 HD3 PRO 61 HD2 PRO 61 -10.319 16.679 -4.833 346 H PHE 62 H PHE 62 -6.900 12.342 -5.720 347 HA PHE 62 HA PHE 62 -8.511 10.558 -7.287 348 HB2 PHE 62 HB1 PHE 62 -6.840 10.534 -9.211 349 HB3 PHE 62 HB2 PHE 62 -7.935 11.917 -9.135 350 HD1 PHE 62 HD1 PHE 62 -7.065 14.020 -9.416 351 HD2 PHE 62 HD2 PHE 62 -4.550 10.932 -7.914 352 HE1 PHE 62 HE1 PHE 62 -5.153 15.568 -9.445 353 HE2 PHE 62 HE2 PHE 62 -2.635 12.475 -7.939 354 HZ PHE 62 HZ PHE 62 -2.934 14.796 -8.705 355 H CYS 63 H CYS 63 -7.150 8.631 -8.023 356 HA CYS 63 HA CYS 63 -5.378 7.920 -5.812 357 HB2 CYS 63 HB1 CYS 63 -7.430 6.541 -6.814 358 HB3 CYS 63 HB2 CYS 63 -6.170 5.938 -7.892 359 H ALA 64 H ALA 64 -3.247 7.882 -6.045 360 HA ALA 64 HA ALA 64 -2.138 7.773 -8.775 361 HB1 ALA 64 HB1 ALA 64 -1.321 9.780 -8.158 362 HB2 ALA 64 HB2 ALA 64 -1.486 9.438 -6.435 363 HB3 ALA 64 HB3 ALA 64 -0.105 8.805 -7.332 364 H THR 65 H THR 65 -0.952 6.056 -9.272 365 HA THR 65 HA THR 65 -0.590 3.851 -7.654 366 HB THR 65 HB THR 65 -0.317 3.565 -9.997 367 HG1 THR 65 HG1 THR 65 1.562 2.376 -10.006 368 HG21 THR 65 HG21 THR 65 0.441 5.783 -10.609 369 HG22 THR 65 HG22 THR 65 1.568 4.583 -11.244 370 HG23 THR 65 HG23 THR 65 1.984 5.511 -9.803 371 H CYS 66 H CYS 66 1.399 2.903 -6.800 372 HA CYS 66 HA CYS 66 2.667 4.536 -4.935 373 HB2 CYS 66 HB1 CYS 66 2.517 1.859 -5.341 374 HB3 CYS 66 HB2 CYS 66 4.180 2.162 -5.847 375 H ARG 67 H ARG 67 5.190 4.605 -4.812 376 HA ARG 67 HA ARG 67 6.102 5.870 -7.300 377 HB2 ARG 67 HB1 ARG 67 7.270 6.148 -4.524 378 HB3 ARG 67 HB2 ARG 67 7.663 7.120 -5.949 379 HG2 ARG 67 HG1 ARG 67 4.941 7.457 -5.732 380 HG3 ARG 67 HG2 ARG 67 5.482 7.404 -4.046 381 HD2 ARG 67 HD1 ARG 67 6.651 9.347 -4.200 382 HD3 ARG 67 HD2 ARG 67 7.109 9.046 -5.882 383 HE ARG 67 HE ARG 67 4.849 10.533 -4.961 384 HH11 ARG 67 HH11 ARG 67 6.044 8.540 -7.553 385 HH12 ARG 67 HH12 ARG 67 4.992 9.230 -8.744 386 HH21 ARG 67 HH21 ARG 67 3.459 11.450 -6.519 387 HH22 ARG 67 HH22 ARG 67 3.523 10.886 -8.154 388 H GLY 68 H GLY 68 7.509 4.799 -8.515 389 HA2 GLY 68 HA2 GLY 68 8.738 2.378 -7.623 390 HA3 GLY 68 HA3 GLY 68 8.996 3.167 -9.173 391 HA1 GLY 68 HA1 GLY 68 8.813 3.053 -7.058 392 H LEU 69 H LEU 69 11.214 2.238 -8.533 393 HA LEU 69 HA LEU 69 12.736 3.567 -6.544 394 HB2 LEU 69 HB1 LEU 69 13.340 1.770 -8.854 395 HB3 LEU 69 HB2 LEU 69 14.666 2.653 -8.079 396 HG LEU 69 HG LEU 69 12.812 0.710 -6.701 397 HD11 LEU 69 HD11 LEU 69 15.727 0.249 -7.021 398 HD12 LEU 69 HD12 LEU 69 14.683 -0.034 -8.413 399 HD13 LEU 69 HD13 LEU 69 14.401 -0.908 -6.908 400 HD21 LEU 69 HD21 LEU 69 14.504 0.923 -4.862 401 HD22 LEU 69 HD22 LEU 69 13.507 2.354 -5.126 402 HD23 LEU 69 HD23 LEU 69 15.168 2.312 -5.722 403 H ARG 70 H ARG 70 11.966 4.280 -9.855 404 HA ARG 70 HA ARG 70 13.998 6.358 -10.028 405 HB2 ARG 70 HB1 ARG 70 12.070 5.104 -11.950 406 HB3 ARG 70 HB2 ARG 70 12.761 6.691 -12.320 407 HG2 ARG 70 HG1 ARG 70 14.999 5.308 -11.642 408 HG3 ARG 70 HG2 ARG 70 14.005 4.039 -12.376 409 HD2 ARG 70 HD1 ARG 70 13.952 5.070 -14.448 410 HD3 ARG 70 HD2 ARG 70 14.259 6.669 -13.759 411 HE ARG 70 HE ARG 70 16.525 5.141 -13.283 412 HH11 ARG 70 HH11 ARG 70 14.749 6.360 -16.019 413 HH12 ARG 70 HH12 ARG 70 16.144 6.464 -17.041 414 HH21 ARG 70 HH21 ARG 70 18.367 5.273 -14.621 415 HH22 ARG 70 HH22 ARG 70 18.201 5.844 -16.246 416 H ARG 71 H ARG 71 11.355 6.281 -8.354 417 HA ARG 71 HA ARG 71 10.263 8.851 -9.269 418 HB2 ARG 71 HB1 ARG 71 9.146 6.669 -7.510 419 HB3 ARG 71 HB2 ARG 71 8.411 8.276 -7.602 420 HG2 ARG 71 HG1 ARG 71 8.814 6.407 -9.939 421 HG3 ARG 71 HG2 ARG 71 7.295 6.661 -9.064 422 HD2 ARG 71 HD1 ARG 71 8.183 9.231 -9.748 423 HD3 ARG 71 HD2 ARG 71 8.475 8.228 -11.176 424 HE ARG 71 HE ARG 71 5.860 7.856 -10.059 425 HH11 ARG 71 HH11 ARG 71 7.799 9.821 -12.180 426 HH12 ARG 71 HH12 ARG 71 6.450 10.372 -13.117 427 HH21 ARG 71 HH21 ARG 71 4.076 8.575 -11.285 428 HH22 ARG 71 HH22 ARG 71 4.332 9.664 -12.606 429 H ARG 72 H ARG 72 10.198 10.626 -7.941 430 HA ARG 72 HA ARG 72 12.146 10.717 -5.839 431 HB2 ARG 72 HB1 ARG 72 10.167 12.778 -6.840 432 HB3 ARG 72 HB2 ARG 72 11.422 13.097 -5.632 433 HG2 ARG 72 HG1 ARG 72 12.247 11.944 -8.254 434 HG3 ARG 72 HG2 ARG 72 11.794 13.654 -8.175 435 HD2 ARG 72 HD1 ARG 72 13.479 14.125 -6.551 436 HD3 ARG 72 HD2 ARG 72 13.803 12.402 -6.317 437 HE ARG 72 HE ARG 72 15.144 12.427 -8.174 438 HH11 ARG 72 HH11 ARG 72 13.209 15.321 -8.112 439 HH12 ARG 72 HH12 ARG 72 14.053 16.070 -9.427 440 HH21 ARG 72 HH21 ARG 72 16.262 13.402 -9.907 441 HH22 ARG 72 HH22 ARG 72 15.789 14.977 -10.447 442 H CYS 73 H CYS 73 11.822 11.052 -3.649 443 HA CYS 73 HA CYS 73 9.080 10.955 -2.634 444 HB2 CYS 73 HB1 CYS 73 9.490 9.136 -1.154 445 HB3 CYS 73 HB2 CYS 73 10.011 8.616 -2.758 446 H GLN 74 H GLN 74 9.021 11.346 -0.239 447 HA GLN 74 HA GLN 74 11.241 13.091 0.598 448 HB2 GLN 74 HB1 GLN 74 8.272 13.556 0.716 449 HB3 GLN 74 HB2 GLN 74 9.366 14.371 1.847 450 HG2 GLN 74 HG1 GLN 74 9.994 15.865 0.331 451 HG3 GLN 74 HG2 GLN 74 10.294 14.608 -0.878 452 HE21 GLN 74 HE21 GLN 74 7.971 13.535 -1.446 453 HE22 GLN 74 HE22 GLN 74 6.835 14.703 -2.021 454 H ARG 75 H ARG 75 8.639 10.931 1.575 455 HA ARG 75 HA ARG 75 9.975 10.608 4.183 456 HB2 ARG 75 HB1 ARG 75 7.501 11.565 3.923 457 HB3 ARG 75 HB2 ARG 75 7.118 9.838 3.852 458 HG2 ARG 75 HG1 ARG 75 8.651 9.753 6.005 459 HG3 ARG 75 HG2 ARG 75 8.162 11.453 6.111 460 HD2 ARG 75 HD1 ARG 75 6.053 10.945 6.705 461 HD3 ARG 75 HD2 ARG 75 5.952 9.635 5.521 462 HE ARG 75 HE ARG 75 7.621 8.807 7.610 463 HH11 ARG 75 HH11 ARG 75 4.277 9.577 7.023 464 HH12 ARG 75 HH12 ARG 75 3.680 8.508 8.250 465 HH21 ARG 75 HH21 ARG 75 6.848 7.396 9.228 466 HH22 ARG 75 HH22 ARG 75 5.144 7.268 9.503 467 H ASP 76 H ASP 76 10.345 8.552 4.937 468 HA ASP 76 HA ASP 76 10.820 6.514 3.113 469 HB2 ASP 76 HB1 ASP 76 10.227 6.047 6.040 470 HB3 ASP 76 HB2 ASP 76 11.285 5.107 4.981 471 HD2 ASP 76 HD ASP 76 13.384 8.202 5.098 472 H ALA 77 H ALA 77 7.906 7.371 4.785 473 HA ALA 77 HA ALA 77 6.583 4.857 4.266 474 HB1 ALA 77 HB1 ALA 77 5.833 7.423 5.571 475 HB2 ALA 77 HB2 ALA 77 4.549 6.356 5.003 476 HB3 ALA 77 HB3 ALA 77 5.725 5.772 6.180 477 H MET 78 H MET 78 6.909 7.957 2.726 478 HA MET 78 HA MET 78 4.647 7.862 1.050 479 HB2 MET 78 HB1 MET 78 7.101 9.441 1.271 480 HB3 MET 78 HB2 MET 78 6.551 9.243 -0.400 481 HG2 MET 78 HG1 MET 78 4.716 10.172 1.798 482 HG3 MET 78 HG2 MET 78 5.717 11.278 0.855 483 HE1 MET 78 HE1 MET 78 5.826 11.434 -1.474 484 HE2 MET 78 HE2 MET 78 5.187 10.141 -2.490 485 HE3 MET 78 HE3 MET 78 4.344 11.688 -2.396 486 H CYS 79 H CYS 79 7.795 6.375 0.849 487 HA CYS 79 HA CYS 79 7.314 5.487 -1.891 488 HB2 CYS 79 HB1 CYS 79 9.563 6.357 -1.089 489 HB3 CYS 79 HB2 CYS 79 9.706 4.864 -0.158 490 H CYS 80 H CYS 80 7.053 3.359 -2.488 491 HA CYS 80 HA CYS 80 5.619 1.663 -0.850 492 HB2 CYS 80 HB1 CYS 80 6.966 1.467 -3.448 493 HB3 CYS 80 HB2 CYS 80 6.852 -0.075 -2.602 494 HA PRO 81 HA PRO 81 8.409 -0.447 1.797 495 HB2 PRO 81 HB1 PRO 81 7.427 -3.004 1.778 496 HB3 PRO 81 HB2 PRO 81 6.614 -1.655 2.572 497 HG2 PRO 81 HG1 PRO 81 6.125 -2.842 -0.139 498 HG3 PRO 81 HG2 PRO 81 4.935 -2.367 1.129 499 HD2 PRO 81 HD1 PRO 81 5.456 -0.825 -1.044 500 HD3 PRO 81 HD2 PRO 81 5.049 -0.142 0.539 501 H GLY 82 H GLY 82 10.128 -1.991 1.920 502 HA2 GLY 82 HA2 GLY 82 11.587 -3.617 1.029 503 HA3 GLY 82 HA3 GLY 82 10.814 -3.418 -0.537 504 HA1 GLY 82 HA1 GLY 82 11.628 -2.785 1.322 505 H THR 83 H THR 83 11.089 -0.392 -0.025 506 HA THR 83 HA THR 83 13.910 -0.216 -0.865 507 HB THR 83 HB THR 83 13.207 1.887 -2.073 508 HG1 THR 83 HG1 THR 83 11.228 2.324 -1.151 509 HG21 THR 83 HG21 THR 83 11.974 -0.731 -2.938 510 HG22 THR 83 HG22 THR 83 13.601 -0.162 -3.306 511 HG23 THR 83 HG23 THR 83 12.202 0.671 -3.982 512 H LEU 84 H LEU 84 14.735 2.140 -0.593 513 HA LEU 84 HA LEU 84 13.825 3.213 1.991 514 HB2 LEU 84 HB1 LEU 84 16.036 1.786 1.896 515 HB3 LEU 84 HB2 LEU 84 16.714 3.295 1.263 516 HG LEU 84 HG LEU 84 15.738 4.385 3.383 517 HD11 LEU 84 HD11 LEU 84 15.514 1.469 4.028 518 HD12 LEU 84 HD12 LEU 84 14.338 2.757 4.282 519 HD13 LEU 84 HD13 LEU 84 15.781 2.669 5.291 520 HD21 LEU 84 HD21 LEU 84 18.143 3.992 2.889 521 HD22 LEU 84 HD22 LEU 84 18.013 2.431 3.699 522 HD23 LEU 84 HD23 LEU 84 17.748 3.921 4.606 523 H CYS 85 H CYS 85 13.600 5.372 2.088 524 HA CYS 85 HA CYS 85 13.841 6.892 -0.330 525 HB2 CYS 85 HB1 CYS 85 12.731 7.305 2.386 526 HB3 CYS 85 HB2 CYS 85 13.277 8.760 1.551 527 H VAL 86 H VAL 86 15.821 7.451 -0.994 528 HA VAL 86 HA VAL 86 17.557 8.856 0.922 529 HB VAL 86 HB VAL 86 18.488 6.889 -1.175 530 HG11 VAL 86 HG11 VAL 86 20.015 8.779 -0.947 531 HG12 VAL 86 HG12 VAL 86 20.077 8.528 0.799 532 HG13 VAL 86 HG13 VAL 86 20.730 7.306 -0.294 533 HG21 VAL 86 HG21 VAL 86 17.661 5.631 0.632 534 HG22 VAL 86 HG22 VAL 86 19.402 5.718 0.895 535 HG23 VAL 86 HG23 VAL 86 18.318 6.753 1.823 536 H ASN 87 H ASN 87 18.618 10.641 0.156 537 HA ASN 87 HA ASN 87 18.993 12.463 -1.153 538 HB2 ASN 87 HB1 ASN 87 20.093 10.489 -2.482 539 HB3 ASN 87 HB2 ASN 87 18.756 10.756 -3.607 540 HD21 ASN 87 HD21 ASN 87 19.152 12.098 -5.199 541 HD22 ASN 87 HD22 ASN 87 20.305 13.384 -5.188 542 H ASP 88 H ASP 88 16.261 11.765 -0.492 543 HA ASP 88 HA ASP 88 14.154 12.508 -0.921 544 HB2 ASP 88 HB1 ASP 88 15.240 14.171 -3.187 545 HB3 ASP 88 HB2 ASP 88 13.874 14.515 -2.117 546 HD2 ASP 88 HD ASP 88 16.302 15.246 0.492 547 H VAL 89 H VAL 89 15.388 10.236 -2.411 548 HA VAL 89 HA VAL 89 13.255 9.941 -4.370 549 HB VAL 89 HB VAL 89 15.145 10.851 -5.670 550 HG11 VAL 89 HG11 VAL 89 16.577 8.411 -4.636 551 HG12 VAL 89 HG12 VAL 89 17.137 9.371 -6.006 552 HG13 VAL 89 HG13 VAL 89 17.023 10.101 -4.403 553 HG21 VAL 89 HG21 VAL 89 15.144 9.160 -7.413 554 HG22 VAL 89 HG22 VAL 89 14.584 7.946 -6.264 555 HG23 VAL 89 HG23 VAL 89 13.538 9.297 -6.696 556 H CYS 90 H CYS 90 12.740 7.788 -4.852 557 HA CYS 90 HA CYS 90 13.144 5.935 -2.782 558 HB2 CYS 90 HB1 CYS 90 12.106 5.647 -5.602 559 HB3 CYS 90 HB2 CYS 90 12.177 4.284 -4.484 560 H THR 91 H THR 91 14.831 4.699 -2.328 561 HA THR 91 HA THR 91 16.530 3.735 -4.521 562 HB THR 91 HB THR 91 17.561 4.951 -1.951 563 HG1 THR 91 HG1 THR 91 18.578 6.392 -3.543 564 HG21 THR 91 HG21 THR 91 19.791 4.507 -2.854 565 HG22 THR 91 HG22 THR 91 19.072 3.709 -4.253 566 HG23 THR 91 HG23 THR 91 18.887 3.008 -2.647 567 H THR 92 H THR 92 16.586 1.595 -4.458 568 HA THR 92 HA THR 92 15.538 -0.018 -2.474 569 HB THR 92 HB THR 92 17.595 -1.535 -3.665 570 HG1 THR 92 HG1 THR 92 17.444 -0.960 -5.832 571 HG21 THR 92 HG21 THR 92 15.826 -2.720 -4.657 572 HG22 THR 92 HG22 THR 92 14.798 -1.289 -4.741 573 HG23 THR 92 HG23 THR 92 15.130 -2.046 -3.183 574 H MET 93 H MET 93 16.463 -1.339 -0.862 575 HA MET 93 HA MET 93 18.485 -0.092 0.677 576 HB2 MET 93 HB1 MET 93 16.897 -2.612 0.866 577 HB3 MET 93 HB2 MET 93 18.351 -2.465 1.865 578 HG2 MET 93 HG1 MET 93 16.618 -0.107 1.970 579 HG3 MET 93 HG2 MET 93 15.853 -1.591 2.545 580 HE1 MET 93 HE1 MET 93 16.403 -2.480 5.255 581 HE2 MET 93 HE2 MET 93 16.532 -0.902 6.031 582 HE3 MET 93 HE3 MET 93 15.417 -1.135 4.683 583 H GLU 94 H GLU 94 18.482 -2.752 -1.606 584 HA GLU 94 HA GLU 94 21.025 -3.803 -0.988 585 HB2 GLU 94 HB1 GLU 94 19.359 -3.852 -3.507 586 HB3 GLU 94 HB2 GLU 94 20.912 -4.690 -3.370 587 HG2 GLU 94 HG1 GLU 94 18.994 -5.254 -1.208 588 HG3 GLU 94 HG2 GLU 94 18.522 -5.813 -2.819 589 HE2 GLU 94 HE GLU 94 22.011 -7.330 -1.753 590 H ASP 95 H ASP 95 20.003 -1.049 -2.841 591 HA ASP 95 HA ASP 95 22.560 -0.692 -4.139 592 HB2 ASP 95 HB1 ASP 95 20.036 0.967 -4.025 593 HB3 ASP 95 HB2 ASP 95 21.504 1.522 -4.839 594 HD2 ASP 95 HD ASP 95 20.770 -0.314 -7.621 595 H ALA 96 H ALA 96 20.723 0.905 -1.555 596 HA ALA 96 HA ALA 96 22.440 2.988 -0.971 597 HB1 ALA 96 HB1 ALA 96 21.443 1.965 1.488 598 HB2 ALA 96 HB2 ALA 96 20.882 3.358 0.563 599 HB3 ALA 96 HB3 ALA 96 20.201 1.760 0.253 600 H THR 97 H THR 97 23.754 3.154 1.118 601 HA THR 97 HA THR 97 25.637 2.607 2.276 602 HB THR 97 HB THR 97 24.997 -0.310 1.963 603 HG1 THR 97 HG1 THR 97 23.726 1.459 3.803 604 HG21 THR 97 HG21 THR 97 26.445 1.428 3.893 605 HG22 THR 97 HG22 THR 97 26.858 -0.175 3.285 606 HG23 THR 97 HG23 THR 97 25.620 0.005 4.527 607 H GLU 98 H GLU 98 25.902 2.970 -0.500 608 HA GLU 98 HA GLU 98 28.020 1.031 -1.164 609 HB2 GLU 98 HB1 GLU 98 27.618 1.502 -3.510 610 HB3 GLU 98 HB2 GLU 98 26.113 0.994 -2.728 611 HG2 GLU 98 HG1 GLU 98 25.614 3.493 -2.462 612 HG3 GLU 98 HG2 GLU 98 26.911 3.732 -3.642 613 HE2 GLU 98 HE GLU 98 23.819 3.430 -5.488 614 H ASN 99 H ASN 99 29.615 2.084 -2.826 615 HA ASN 99 HA ASN 99 30.251 4.826 -1.981 616 HB2 ASN 99 HB1 ASN 99 31.612 2.704 -0.982 617 HB3 ASN 99 HB2 ASN 99 32.556 3.028 -2.440 618 HD21 ASN 99 HD21 ASN 99 34.356 3.836 -1.502 619 HD22 ASN 99 HD22 ASN 99 34.396 5.307 -0.596 620 H LEU 100 H LEU 100 31.266 2.243 -4.223 621 HA LEU 100 HA LEU 100 31.780 2.262 -6.437 622 HB2 LEU 100 HB1 LEU 100 29.454 3.651 -6.199 623 HB3 LEU 100 HB2 LEU 100 30.494 4.849 -6.988 624 HG LEU 100 HG LEU 100 30.983 2.831 -8.627 625 HD11 LEU 100 HD11 LEU 100 29.472 1.160 -8.725 626 HD12 LEU 100 HD12 LEU 100 28.139 2.183 -8.187 627 HD13 LEU 100 HD13 LEU 100 29.280 1.531 -7.011 628 HD21 LEU 100 HD21 LEU 100 30.092 4.937 -9.352 629 HD22 LEU 100 HD22 LEU 100 28.518 4.568 -8.646 630 HD23 LEU 100 HD23 LEU 100 29.102 3.647 -10.034 631 H TYR 101 H TYR 101 32.539 4.011 -8.264 632 HA TYR 101 HA TYR 101 34.239 5.349 -8.965 633 HB2 TYR 101 HB1 TYR 101 33.197 6.619 -6.568 634 HB3 TYR 101 HB2 TYR 101 34.921 6.947 -6.776 635 HD1 TYR 101 HD1 TYR 101 32.005 6.704 -9.112 636 HD2 TYR 101 HD2 TYR 101 35.330 8.987 -7.756 637 HE1 TYR 101 HE1 TYR 101 31.493 8.433 -10.786 638 HE2 TYR 101 HE2 TYR 101 34.826 10.722 -9.426 639 HH TYR 101 HH TYR 101 31.973 11.015 -10.972 640 H PHE 102 H PHE 102 35.985 4.103 -9.259 641 HA PHE 102 HA PHE 102 37.730 3.631 -6.931 642 HB2 PHE 102 HB1 PHE 102 36.698 1.786 -8.967 643 HB3 PHE 102 HB2 PHE 102 38.449 1.697 -8.761 644 HD1 PHE 102 HD1 PHE 102 39.336 0.352 -7.116 645 HD2 PHE 102 HD2 PHE 102 35.327 1.732 -6.729 646 HE1 PHE 102 HE1 PHE 102 39.054 -1.041 -5.108 647 HE2 PHE 102 HE2 PHE 102 35.039 0.341 -4.719 648 HZ PHE 102 HZ PHE 102 36.904 -1.047 -3.906 649 H GLN 103 H GLN 103 39.514 4.809 -7.062 650 HA GLN 103 HA GLN 103 40.419 5.860 -9.600 651 HB2 GLN 103 HB1 GLN 103 41.048 6.330 -6.727 652 HB3 GLN 103 HB2 GLN 103 42.305 6.716 -7.912 653 HG2 GLN 103 HG1 GLN 103 40.607 8.114 -9.129 654 HG3 GLN 103 HG2 GLN 103 39.534 7.867 -7.746 655 HE21 GLN 103 HE21 GLN 103 40.750 10.315 -8.820 656 HE22 GLN 103 HE22 GLN 103 41.611 11.027 -7.501 657 H SER 104 H SER 104 42.518 5.560 -10.464 658 HA SER 104 HA SER 104 43.740 2.996 -9.689 659 HB2 SER 104 HB1 SER 104 44.600 2.895 -12.023 660 HB3 SER 104 HB2 SER 104 42.829 2.932 -11.942 661 HG SER 104 HG SER 104 43.716 4.380 -13.519 662 H LEU 105 H LEU 105 44.290 5.669 -8.557 663 HA LEU 105 HA LEU 105 46.046 6.989 -7.956 664 HB2 LEU 105 HB1 LEU 105 46.807 4.361 -7.722 665 HB3 LEU 105 HB2 LEU 105 48.110 5.057 -8.704 666 HG LEU 105 HG LEU 105 48.278 6.845 -6.869 667 HD11 LEU 105 HD11 LEU 105 47.583 5.961 -4.627 668 HD12 LEU 105 HD12 LEU 105 46.617 4.756 -5.478 669 HD13 LEU 105 HD13 LEU 105 46.259 6.472 -5.675 670 HD21 LEU 105 HD21 LEU 105 49.742 5.423 -5.529 671 HD22 LEU 105 HD22 LEU 105 49.957 5.114 -7.253 672 HD23 LEU 105 HD23 LEU 105 49.028 3.987 -6.264 673 H GLU 106 H GLU 106 48.595 7.347 -8.808 674 HA GLU 106 HA GLU 106 48.437 7.759 -11.709 675 HB2 GLU 106 HB1 GLU 106 49.304 10.034 -11.492 676 HB3 GLU 106 HB2 GLU 106 47.757 9.861 -10.649 677 HG2 GLU 106 HG1 GLU 106 49.138 9.473 -8.534 678 HG3 GLU 106 HG2 GLU 106 50.504 10.093 -9.475 679 HE2 GLU 106 HE GLU 106 47.828 12.635 -8.129 680 H HIS 107 H HIS 107 50.545 8.233 -12.694 681 HA HIS 107 HA HIS 107 52.987 8.014 -11.344 682 HB2 HIS 107 HB1 HIS 107 51.703 5.574 -11.392 683 HB3 HIS 107 HB2 HIS 107 52.769 5.477 -12.797 684 HD1 HIS 107 HD1 HIS 107 54.535 3.926 -11.914 685 HD2 HIS 107 HD2 HIS 107 53.824 7.144 -9.384 686 HE1 HIS 107 HE1 HIS 107 56.329 3.809 -10.156 687 HE2 HIS 107 HE2 HIS 107 55.895 5.775 -8.609 688 H HIS 108 H HIS 108 54.653 6.875 -13.130 689 HA HIS 108 HA HIS 108 55.722 7.208 -15.111 690 HB2 HIS 108 HB1 HIS 108 52.956 6.783 -15.781 691 HB3 HIS 108 HB2 HIS 108 53.660 7.957 -16.897 692 HD1 HIS 108 HD1 HIS 108 53.298 4.423 -16.467 693 HD2 HIS 108 HD2 HIS 108 56.223 6.911 -18.054 694 HE1 HIS 108 HE1 HIS 108 54.716 2.948 -17.929 695 HE2 HIS 108 HE2 HIS 108 56.503 4.468 -18.902 696 H HIS 109 H HIS 109 56.288 8.875 -16.721 697 HA HIS 109 HA HIS 109 55.190 11.458 -16.713 698 HB2 HIS 109 HB1 HIS 109 56.826 10.883 -14.444 699 HB3 HIS 109 HB2 HIS 109 57.690 12.035 -15.467 700 HD1 HIS 109 HD1 HIS 109 55.400 12.023 -12.774 701 HD2 HIS 109 HD2 HIS 109 55.778 14.285 -16.238 702 HE1 HIS 109 HE1 HIS 109 54.096 14.130 -12.347 703 HE2 HIS 109 HE2 HIS 109 54.324 15.512 -14.464 704 H HIS 110 H HIS 110 56.043 12.673 -18.338 705 HA HIS 110 HA HIS 110 58.632 11.912 -19.466 706 HB2 HIS 110 HB1 HIS 110 56.359 10.898 -20.568 707 HB3 HIS 110 HB2 HIS 110 56.530 12.401 -21.481 708 HD1 HIS 110 HD1 HIS 110 57.328 11.517 -23.688 709 HD2 HIS 110 HD2 HIS 110 59.561 10.079 -20.493 710 HE1 HIS 110 HE1 HIS 110 59.270 10.297 -24.720 711 HE2 HIS 110 HE2 HIS 110 60.634 9.416 -22.768 712 H HIS 111 H HIS 111 59.549 13.518 -20.871 713 HA HIS 111 HA HIS 111 58.617 16.210 -20.195 714 HB2 HIS 111 HB1 HIS 111 61.228 14.971 -20.764 715 HB3 HIS 111 HB2 HIS 111 61.000 16.561 -21.497 716 HD1 HIS 111 HD1 HIS 111 60.411 18.553 -19.803 717 HD2 HIS 111 HD2 HIS 111 61.804 15.038 -18.077 718 HE1 HIS 111 HE1 HIS 111 61.108 19.179 -17.469 719 HE2 HIS 111 HE2 HIS 111 61.958 17.033 -16.413 720 H HIS 112 H HIS 112 59.864 14.447 -23.032 721 HA HIS 112 HA HIS 112 59.518 14.718 -25.267 722 HB2 HIS 112 HB1 HIS 112 56.970 14.882 -23.964 723 HB3 HIS 112 HB2 HIS 112 56.977 15.987 -25.343 724 HD1 HIS 112 HD1 HIS 112 55.450 14.605 -26.832 725 HD2 HIS 112 HD2 HIS 112 58.799 12.517 -25.529 726 HE1 HIS 112 HE1 HIS 112 55.487 12.484 -28.182 727 HE2 HIS 112 HE2 HIS 112 57.533 11.208 -27.388 Start of MODEL 17 1 H1 MET 18 H MET 18 -29.697 -48.631 4.800 2 HA MET 18 HA MET 18 -29.056 -46.226 4.950 3 HB2 MET 18 HB1 MET 18 -31.393 -45.287 4.804 4 HB3 MET 18 HB2 MET 18 -31.036 -46.619 3.693 5 HG2 MET 18 HG1 MET 18 -32.677 -47.868 4.515 6 HG3 MET 18 HG2 MET 18 -32.101 -47.625 6.167 7 HE1 MET 18 HE1 MET 18 -34.360 -46.422 7.878 8 HE2 MET 18 HE2 MET 18 -35.633 -46.975 6.792 9 HE3 MET 18 HE3 MET 18 -34.170 -47.938 6.998 10 H LEU 19 H LEU 19 -28.074 -45.321 6.673 11 HA LEU 19 HA LEU 19 -29.768 -44.337 8.816 12 HB2 LEU 19 HB1 LEU 19 -28.452 -46.676 9.251 13 HB3 LEU 19 HB2 LEU 19 -27.252 -45.495 9.803 14 HG LEU 19 HG LEU 19 -29.138 -44.535 11.254 15 HD11 LEU 19 HD11 LEU 19 -30.302 -47.250 10.651 16 HD12 LEU 19 HD12 LEU 19 -30.982 -45.699 10.159 17 HD13 LEU 19 HD13 LEU 19 -30.888 -46.117 11.869 18 HD21 LEU 19 HD21 LEU 19 -28.809 -46.912 12.647 19 HD22 LEU 19 HD22 LEU 19 -27.771 -45.488 12.728 20 HD23 LEU 19 HD23 LEU 19 -27.380 -46.803 11.619 21 H VAL 20 H VAL 20 -28.218 -43.238 6.562 22 HA VAL 20 HA VAL 20 -26.150 -41.701 7.962 23 HB VAL 20 HB VAL 20 -25.487 -40.920 5.700 24 HG11 VAL 20 HG11 VAL 20 -24.665 -43.182 4.908 25 HG12 VAL 20 HG12 VAL 20 -24.255 -42.741 6.567 26 HG13 VAL 20 HG13 VAL 20 -25.569 -43.876 6.254 27 HG21 VAL 20 HG21 VAL 20 -27.714 -41.192 4.652 28 HG22 VAL 20 HG22 VAL 20 -26.418 -41.946 3.723 29 HG23 VAL 20 HG23 VAL 20 -27.494 -42.941 4.705 30 H LEU 21 H LEU 21 -26.166 -39.464 8.036 31 HA LEU 21 HA LEU 21 -28.636 -38.191 8.297 32 HB2 LEU 21 HB1 LEU 21 -25.912 -37.553 8.694 33 HB3 LEU 21 HB2 LEU 21 -26.598 -36.281 7.667 34 HG LEU 21 HG LEU 21 -26.685 -35.651 10.014 35 HD11 LEU 21 HD11 LEU 21 -29.537 -36.176 9.547 36 HD12 LEU 21 HD12 LEU 21 -28.688 -35.398 8.213 37 HD13 LEU 21 HD13 LEU 21 -28.687 -34.654 9.811 38 HD21 LEU 21 HD21 LEU 21 -27.555 -36.918 11.692 39 HD22 LEU 21 HD22 LEU 21 -27.013 -38.213 10.625 40 HD23 LEU 21 HD23 LEU 21 -28.709 -37.730 10.634 41 H ASP 22 H ASP 22 -29.900 -37.005 6.965 42 HA ASP 22 HA ASP 22 -28.932 -36.250 4.324 43 HB2 ASP 22 HB1 ASP 22 -31.139 -38.235 4.829 44 HB3 ASP 22 HB2 ASP 22 -31.137 -37.236 3.369 45 HD2 ASP 22 HD ASP 22 -29.082 -40.418 3.179 46 H PHE 23 H PHE 23 -29.226 -34.289 5.843 47 HA PHE 23 HA PHE 23 -31.742 -33.038 5.100 48 HB2 PHE 23 HB1 PHE 23 -30.923 -33.640 7.911 49 HB3 PHE 23 HB2 PHE 23 -31.742 -32.111 7.589 50 HD1 PHE 23 HD1 PHE 23 -32.326 -35.283 8.683 51 HD2 PHE 23 HD2 PHE 23 -33.832 -32.494 5.843 52 HE1 PHE 23 HE1 PHE 23 -34.509 -36.420 8.728 53 HE2 PHE 23 HE2 PHE 23 -36.016 -33.626 5.883 54 HZ PHE 23 HZ PHE 23 -36.357 -35.591 7.328 55 H ASN 24 H ASN 24 -28.864 -32.496 7.142 56 HA ASN 24 HA ASN 24 -27.346 -30.805 7.212 57 HB2 ASN 24 HB1 ASN 24 -28.184 -29.933 4.459 58 HB3 ASN 24 HB2 ASN 24 -26.572 -29.927 5.187 59 HD21 ASN 24 HD21 ASN 24 -25.635 -32.074 5.677 60 HD22 ASN 24 HD22 ASN 24 -25.926 -33.354 4.553 61 H ASN 25 H ASN 25 -27.173 -28.279 6.619 62 HA ASN 25 HA ASN 25 -29.622 -26.824 6.645 63 HB2 ASN 25 HB1 ASN 25 -28.644 -27.772 9.168 64 HB3 ASN 25 HB2 ASN 25 -28.486 -26.011 9.120 65 HD21 ASN 25 HD21 ASN 25 -30.092 -25.615 10.590 66 HD22 ASN 25 HD22 ASN 25 -31.765 -25.887 10.256 67 H ILE 26 H ILE 26 -29.241 -24.467 6.963 68 HA ILE 26 HA ILE 26 -26.551 -23.760 6.004 69 HB ILE 26 HB ILE 26 -27.617 -21.676 5.146 70 HG12 ILE 26 HG11 ILE 26 -30.272 -23.033 5.510 71 HG13 ILE 26 HG12 ILE 26 -29.610 -22.016 6.801 72 HG21 ILE 26 HG21 ILE 26 -27.217 -23.475 3.618 73 HG22 ILE 26 HG22 ILE 26 -28.675 -24.313 4.146 74 HG23 ILE 26 HG23 ILE 26 -28.803 -22.794 3.259 75 HD11 ILE 26 HD11 ILE 26 -30.661 -21.246 4.145 76 HD12 ILE 26 HD12 ILE 26 -30.823 -20.448 5.710 77 HD13 ILE 26 HD13 ILE 26 -29.321 -20.305 4.800 78 H ARG 27 H ARG 27 -25.495 -21.926 6.833 79 HA ARG 27 HA ARG 27 -26.625 -20.771 9.284 80 HB2 ARG 27 HB1 ARG 27 -24.479 -20.958 10.427 81 HB3 ARG 27 HB2 ARG 27 -25.076 -22.554 9.951 82 HG2 ARG 27 HG1 ARG 27 -23.552 -21.901 7.792 83 HG3 ARG 27 HG2 ARG 27 -22.664 -21.123 9.112 84 HD2 ARG 27 HD1 ARG 27 -21.731 -23.261 9.030 85 HD3 ARG 27 HD2 ARG 27 -22.919 -23.370 10.338 86 HE ARG 27 HE ARG 27 -24.031 -24.138 7.826 87 HH11 ARG 27 HH11 ARG 27 -22.049 -25.236 10.468 88 HH12 ARG 27 HH12 ARG 27 -22.415 -26.910 10.220 89 HH21 ARG 27 HH21 ARG 27 -24.523 -26.339 7.489 90 HH22 ARG 27 HH22 ARG 27 -23.823 -27.538 8.524 91 H SER 28 H SER 28 -26.086 -18.647 9.683 92 HA SER 28 HA SER 28 -25.603 -16.493 9.114 93 HB2 SER 28 HB1 SER 28 -23.154 -18.055 8.824 94 HB3 SER 28 HB2 SER 28 -23.158 -16.618 7.787 95 HG SER 28 HG SER 28 -22.587 -16.657 10.304 96 H SER 29 H SER 29 -27.265 -16.249 7.588 97 HA SER 29 HA SER 29 -26.317 -16.170 4.804 98 HB2 SER 29 HB1 SER 29 -28.487 -16.929 4.004 99 HB3 SER 29 HB2 SER 29 -27.829 -18.114 5.145 100 HG SER 29 HG SER 29 -30.166 -17.119 5.297 101 H ALA 30 H ALA 30 -26.320 -14.042 6.684 102 HA ALA 30 HA ALA 30 -28.139 -12.208 5.301 103 HB1 ALA 30 HB1 ALA 30 -28.809 -11.133 7.363 104 HB2 ALA 30 HB2 ALA 30 -29.225 -12.847 7.418 105 HB3 ALA 30 HB3 ALA 30 -27.818 -12.252 8.299 106 H ASP 31 H ASP 31 -27.566 -9.873 5.881 107 HA ASP 31 HA ASP 31 -24.885 -9.356 6.759 108 HB2 ASP 31 HB1 ASP 31 -24.121 -8.353 4.607 109 HB3 ASP 31 HB2 ASP 31 -24.326 -10.109 4.536 110 HD2 ASP 31 HD ASP 31 -26.660 -9.870 2.047 111 H LEU 32 H LEU 32 -24.412 -7.092 6.907 112 HA LEU 32 HA LEU 32 -26.749 -5.341 6.551 113 HB2 LEU 32 HB1 LEU 32 -25.016 -5.742 8.965 114 HB3 LEU 32 HB2 LEU 32 -25.792 -4.176 8.673 115 HG LEU 32 HG LEU 32 -27.453 -6.661 8.700 116 HD11 LEU 32 HD11 LEU 32 -27.808 -6.282 11.135 117 HD12 LEU 32 HD12 LEU 32 -26.431 -5.181 11.116 118 HD13 LEU 32 HD13 LEU 32 -26.201 -6.886 10.726 119 HD21 LEU 32 HD21 LEU 32 -27.944 -3.782 9.453 120 HD22 LEU 32 HD22 LEU 32 -29.136 -5.079 9.553 121 HD23 LEU 32 HD23 LEU 32 -28.490 -4.593 7.984 122 H HIS 33 H HIS 33 -26.166 -3.004 6.581 123 HA HIS 33 HA HIS 33 -23.444 -2.255 6.077 124 HB2 HIS 33 HB1 HIS 33 -24.649 -3.309 3.896 125 HB3 HIS 33 HB2 HIS 33 -25.138 -1.619 3.732 126 HD1 HIS 33 HD1 HIS 33 -22.294 -3.861 3.194 127 HD2 HIS 33 HD2 HIS 33 -22.916 0.233 3.536 128 HE1 HIS 33 HE1 HIS 33 -20.214 -2.784 2.277 129 HE2 HIS 33 HE2 HIS 33 -20.594 -0.282 2.486 130 H GLY 34 H GLY 34 -23.173 0.039 5.834 131 HA2 GLY 34 HA2 GLY 34 -25.592 1.615 6.437 132 HA3 GLY 34 HA3 GLY 34 -24.150 1.787 7.428 133 HA1 GLY 34 HA1 GLY 34 -25.255 1.378 5.658 134 H ALA 35 H ALA 35 -23.748 3.918 6.965 135 HA ALA 35 HA ALA 35 -23.199 4.570 4.145 136 HB1 ALA 35 HB1 ALA 35 -23.426 6.771 6.094 137 HB2 ALA 35 HB2 ALA 35 -24.038 6.643 4.445 138 HB3 ALA 35 HB3 ALA 35 -24.905 5.867 5.771 139 H ARG 36 H ARG 36 -22.104 5.631 7.376 140 HA ARG 36 HA ARG 36 -20.048 6.198 8.170 141 HB2 ARG 36 HB1 ARG 36 -19.461 3.929 6.297 142 HB3 ARG 36 HB2 ARG 36 -18.127 4.793 7.078 143 HG2 ARG 36 HG1 ARG 36 -18.520 3.881 9.093 144 HG3 ARG 36 HG2 ARG 36 -20.278 3.951 8.888 145 HD2 ARG 36 HD1 ARG 36 -20.405 1.852 8.077 146 HD3 ARG 36 HD2 ARG 36 -18.942 2.054 7.102 147 HE ARG 36 HE ARG 36 -18.293 1.866 9.856 148 HH11 ARG 36 HH11 ARG 36 -19.292 -0.042 7.121 149 HH12 ARG 36 HH12 ARG 36 -18.566 -1.501 7.708 150 HH21 ARG 36 HH21 ARG 36 -17.333 -0.048 10.641 151 HH22 ARG 36 HH22 ARG 36 -17.452 -1.504 9.710 152 H LYS 37 H LYS 37 -20.536 8.280 7.016 153 HA LYS 37 HA LYS 37 -18.613 8.761 4.838 154 HB2 LYS 37 HB1 LYS 37 -21.233 9.200 4.678 155 HB3 LYS 37 HB2 LYS 37 -20.770 10.721 5.456 156 HG2 LYS 37 HG1 LYS 37 -19.628 11.490 3.635 157 HG3 LYS 37 HG2 LYS 37 -19.234 9.857 3.067 158 HD2 LYS 37 HD1 LYS 37 -21.221 9.595 1.965 159 HD3 LYS 37 HD2 LYS 37 -22.096 10.651 3.088 160 HE2 LYS 37 HE1 LYS 37 -20.015 11.747 1.206 161 HE3 LYS 37 HE2 LYS 37 -21.691 11.498 0.697 162 HZ1 LYS 37 HZ1 LYS 37 -22.154 12.831 2.898 163 HZ2 LYS 37 HZ2 LYS 37 -21.818 13.625 1.443 164 HZ3 LYS 37 HZ3 LYS 37 -20.601 13.432 2.601 165 H GLY 38 H GLY 38 -17.596 10.924 4.819 166 HA2 GLY 38 HA2 GLY 38 -17.406 12.922 6.484 167 HA3 GLY 38 HA3 GLY 38 -16.817 11.658 7.553 168 HA1 GLY 38 HA1 GLY 38 -17.200 12.601 5.686 169 H SER 39 H SER 39 -15.343 10.162 5.671 170 HA SER 39 HA SER 39 -13.349 12.046 4.645 171 HB2 SER 39 HB1 SER 39 -11.634 11.359 5.967 172 HB3 SER 39 HB2 SER 39 -12.942 10.897 7.070 173 HG SER 39 HG SER 39 -11.297 9.239 6.528 174 H GLN 40 H GLN 40 -12.405 11.415 2.780 175 HA GLN 40 HA GLN 40 -13.546 9.384 1.237 176 HB2 GLN 40 HB1 GLN 40 -11.000 10.972 0.985 177 HB3 GLN 40 HB2 GLN 40 -11.424 9.721 -0.194 178 HG2 GLN 40 HG1 GLN 40 -12.482 11.340 -1.297 179 HG3 GLN 40 HG2 GLN 40 -13.729 11.181 -0.053 180 HE21 GLN 40 HE21 GLN 40 -13.355 13.532 -1.431 181 HE22 GLN 40 HE22 GLN 40 -12.752 14.739 -0.354 182 H CYS 41 H CYS 41 -10.302 9.472 2.719 183 HA CYS 41 HA CYS 41 -10.410 6.545 2.934 184 HB2 CYS 41 HB1 CYS 41 -8.038 6.399 2.275 185 HB3 CYS 41 HB2 CYS 41 -9.052 7.027 0.975 186 H LEU 42 H LEU 42 -9.366 5.663 4.708 187 HA LEU 42 HA LEU 42 -8.791 7.562 6.847 188 HB2 LEU 42 HB1 LEU 42 -10.346 5.540 7.062 189 HB3 LEU 42 HB2 LEU 42 -8.863 4.570 7.088 190 HG LEU 42 HG LEU 42 -8.422 6.487 9.035 191 HD11 LEU 42 HD11 LEU 42 -10.327 6.686 10.372 192 HD12 LEU 42 HD12 LEU 42 -11.189 5.423 9.492 193 HD13 LEU 42 HD13 LEU 42 -10.911 6.992 8.737 194 HD21 LEU 42 HD21 LEU 42 -9.004 4.506 10.571 195 HD22 LEU 42 HD22 LEU 42 -7.699 4.307 9.403 196 HD23 LEU 42 HD23 LEU 42 -9.290 3.619 9.075 197 H SER 43 H SER 43 -7.194 5.301 4.765 198 HA SER 43 HA SER 43 -4.618 6.195 5.726 199 HB2 SER 43 HB1 SER 43 -5.714 3.764 6.714 200 HB3 SER 43 HB2 SER 43 -4.417 3.339 5.582 201 HG SER 43 HG SER 43 -3.423 3.645 7.513 202 H ASP 44 H ASP 44 -2.827 5.266 4.383 203 HA ASP 44 HA ASP 44 -3.380 5.608 1.652 204 HB2 ASP 44 HB1 ASP 44 -1.085 5.071 1.249 205 HB3 ASP 44 HB2 ASP 44 -1.156 5.955 2.779 206 HD2 ASP 44 HD ASP 44 -0.102 2.139 2.874 207 H THR 45 H THR 45 -3.422 2.800 3.683 208 HA THR 45 HA THR 45 -3.234 0.855 1.605 209 HB THR 45 HB THR 45 -4.158 -0.717 3.344 210 HG1 THR 45 HG1 THR 45 -3.829 1.401 5.188 211 HG21 THR 45 HG21 THR 45 -2.138 -0.849 4.532 212 HG22 THR 45 HG22 THR 45 -1.880 0.895 4.461 213 HG23 THR 45 HG23 THR 45 -1.694 -0.084 3.006 214 H ASP 46 H ASP 46 -5.797 2.772 2.916 215 HA ASP 46 HA ASP 46 -7.980 1.150 2.112 216 HB2 ASP 46 HB1 ASP 46 -7.919 3.159 3.760 217 HB3 ASP 46 HB2 ASP 46 -8.134 4.144 2.308 218 HD2 ASP 46 HD ASP 46 -11.344 2.911 3.804 219 H CYS 47 H CYS 47 -5.920 3.383 0.447 220 HA CYS 47 HA CYS 47 -7.477 4.187 -1.685 221 HB2 CYS 47 HB1 CYS 47 -4.786 4.321 -0.997 222 HB3 CYS 47 HB2 CYS 47 -4.788 3.442 -2.527 223 H ASN 48 H ASN 48 -5.199 1.442 -1.816 224 HA ASN 48 HA ASN 48 -7.130 -0.252 -3.095 225 HB2 ASN 48 HB1 ASN 48 -5.254 1.329 -4.699 226 HB3 ASN 48 HB2 ASN 48 -5.155 -0.407 -5.021 227 HD21 ASN 48 HD21 ASN 48 -7.567 -1.371 -4.937 228 HD22 ASN 48 HD22 ASN 48 -8.637 -0.581 -6.039 229 H THR 49 H THR 49 -3.594 -0.059 -3.410 230 HA THR 49 HA THR 49 -3.149 -2.099 -1.436 231 HB THR 49 HB THR 49 -2.420 -2.843 -4.265 232 HG1 THR 49 HG1 THR 49 -4.282 -3.986 -4.401 233 HG21 THR 49 HG21 THR 49 -1.082 -4.003 -2.697 234 HG22 THR 49 HG22 THR 49 -2.353 -5.135 -3.161 235 HG23 THR 49 HG23 THR 49 -2.450 -4.282 -1.620 236 H ARG 50 H ARG 50 -1.505 -1.132 -4.450 237 HA ARG 50 HA ARG 50 0.854 -0.445 -2.838 238 HB2 ARG 50 HB1 ARG 50 0.676 -0.975 -5.814 239 HB3 ARG 50 HB2 ARG 50 2.156 -0.729 -4.874 240 HG2 ARG 50 HG1 ARG 50 1.615 -2.778 -3.569 241 HG3 ARG 50 HG2 ARG 50 0.251 -3.047 -4.666 242 HD2 ARG 50 HD1 ARG 50 3.120 -2.783 -5.583 243 HD3 ARG 50 HD2 ARG 50 2.324 -4.327 -5.242 244 HE ARG 50 HE ARG 50 1.955 -2.667 -7.558 245 HH11 ARG 50 HH11 ARG 50 0.527 -5.114 -5.536 246 HH12 ARG 50 HH12 ARG 50 -0.520 -5.716 -6.779 247 HH21 ARG 50 HH21 ARG 50 0.583 -3.450 -9.203 248 HH22 ARG 50 HH22 ARG 50 -0.487 -4.769 -8.864 249 H LYS 51 H LYS 51 -1.396 1.331 -3.081 250 HA LYS 51 HA LYS 51 -0.005 3.620 -4.262 251 HB2 LYS 51 HB1 LYS 51 -2.812 2.722 -4.890 252 HB3 LYS 51 HB2 LYS 51 -2.314 4.411 -5.082 253 HG2 LYS 51 HG1 LYS 51 -1.678 3.873 -7.141 254 HG3 LYS 51 HG2 LYS 51 -0.334 2.996 -6.389 255 HD2 LYS 51 HD1 LYS 51 -1.134 1.148 -7.356 256 HD3 LYS 51 HD2 LYS 51 -2.468 1.237 -6.193 257 HE2 LYS 51 HE1 LYS 51 -3.771 2.592 -7.769 258 HE3 LYS 51 HE2 LYS 51 -2.432 2.522 -8.924 259 HZ1 LYS 51 HZ1 LYS 51 -2.687 0.095 -8.978 260 HZ2 LYS 51 HZ2 LYS 51 -4.084 0.895 -9.495 261 HZ3 LYS 51 HZ3 LYS 51 -4.024 0.213 -7.948 262 H PHE 52 H PHE 52 -0.266 5.519 -3.166 263 HA PHE 52 HA PHE 52 -1.707 5.330 -0.621 264 HB2 PHE 52 HB1 PHE 52 -0.364 7.336 0.020 265 HB3 PHE 52 HB2 PHE 52 0.613 5.919 -0.371 266 HD1 PHE 52 HD1 PHE 52 2.140 5.909 -2.181 267 HD2 PHE 52 HD2 PHE 52 -0.505 9.197 -1.624 268 HE1 PHE 52 HE1 PHE 52 3.416 7.210 -3.834 269 HE2 PHE 52 HE2 PHE 52 0.766 10.504 -3.277 270 HZ PHE 52 HZ PHE 52 2.729 9.511 -4.385 271 H CYS 53 H CYS 53 -2.908 7.194 0.151 272 HA CYS 53 HA CYS 53 -4.681 8.201 -1.843 273 HB2 CYS 53 HB1 CYS 53 -4.745 7.852 0.926 274 HB3 CYS 53 HB2 CYS 53 -4.819 9.601 0.702 275 H LEU 54 H LEU 54 -3.714 9.555 -3.280 276 HA LEU 54 HA LEU 54 -2.045 11.739 -2.345 277 HB2 LEU 54 HB1 LEU 54 -1.403 10.505 -4.354 278 HB3 LEU 54 HB2 LEU 54 -2.930 10.969 -5.123 279 HG LEU 54 HG LEU 54 -1.993 13.411 -4.643 280 HD11 LEU 54 HD11 LEU 54 0.043 12.370 -3.532 281 HD12 LEU 54 HD12 LEU 54 0.344 13.601 -4.759 282 HD13 LEU 54 HD13 LEU 54 0.548 11.895 -5.154 283 HD21 LEU 54 HD21 LEU 54 -2.568 12.160 -6.826 284 HD22 LEU 54 HD22 LEU 54 -0.828 11.898 -6.951 285 HD23 LEU 54 HD23 LEU 54 -1.472 13.540 -6.902 286 H GLN 55 H GLN 55 -2.768 13.713 -1.915 287 HA GLN 55 HA GLN 55 -5.303 14.585 -3.128 288 HB2 GLN 55 HB1 GLN 55 -5.727 15.828 -0.956 289 HB3 GLN 55 HB2 GLN 55 -5.903 14.066 -0.898 290 HG2 GLN 55 HG1 GLN 55 -4.308 13.842 0.633 291 HG3 GLN 55 HG2 GLN 55 -3.208 14.909 -0.252 292 HE21 GLN 55 HE21 GLN 55 -2.477 16.069 1.461 293 HE22 GLN 55 HE22 GLN 55 -3.469 17.124 2.403 294 HA PRO 56 HA PRO 56 -2.104 17.702 -4.143 295 HB2 PRO 56 HB1 PRO 56 -3.214 18.363 -6.559 296 HB3 PRO 56 HB2 PRO 56 -2.134 16.989 -6.327 297 HG2 PRO 56 HG1 PRO 56 -5.131 17.061 -6.408 298 HG3 PRO 56 HG2 PRO 56 -3.996 15.915 -7.213 299 HD2 PRO 56 HD1 PRO 56 -5.342 15.290 -4.939 300 HD3 PRO 56 HD2 PRO 56 -3.711 14.688 -5.282 301 H ARG 57 H ARG 57 -2.223 19.956 -4.154 302 HA ARG 57 HA ARG 57 -4.620 21.049 -2.976 303 HB2 ARG 57 HB1 ARG 57 -3.338 23.096 -2.709 304 HB3 ARG 57 HB2 ARG 57 -2.385 21.705 -2.170 305 HG2 ARG 57 HG1 ARG 57 -1.412 21.756 -4.586 306 HG3 ARG 57 HG2 ARG 57 -2.019 23.421 -4.583 307 HD2 ARG 57 HD1 ARG 57 -0.572 24.105 -2.912 308 HD3 ARG 57 HD2 ARG 57 -0.386 22.464 -2.276 309 HE ARG 57 HE ARG 57 1.349 22.132 -3.732 310 HH11 ARG 57 HH11 ARG 57 -0.469 24.923 -4.744 311 HH12 ARG 57 HH12 ARG 57 0.667 25.381 -5.969 312 HH21 ARG 57 HH21 ARG 57 2.852 22.725 -5.341 313 HH22 ARG 57 HH22 ARG 57 2.557 24.129 -6.308 314 H ASP 58 H ASP 58 -3.115 20.969 -6.095 315 HA ASP 58 HA ASP 58 -4.789 23.119 -7.128 316 HB2 ASP 58 HB1 ASP 58 -2.252 22.168 -7.787 317 HB3 ASP 58 HB2 ASP 58 -3.281 21.623 -9.117 318 HD2 ASP 58 HD ASP 58 -2.635 25.503 -8.709 319 H GLU 59 H GLU 59 -4.715 19.677 -6.958 320 HA GLU 59 HA GLU 59 -7.032 19.550 -8.775 321 HB2 GLU 59 HB1 GLU 59 -4.572 18.140 -8.904 322 HB3 GLU 59 HB2 GLU 59 -5.827 16.975 -8.454 323 HG2 GLU 59 HG1 GLU 59 -6.612 16.904 -10.523 324 HG3 GLU 59 HG2 GLU 59 -6.765 18.666 -10.573 325 HE2 GLU 59 HE GLU 59 -3.859 17.012 -12.558 326 H LYS 60 H LYS 60 -8.144 17.235 -8.298 327 HA LYS 60 HA LYS 60 -9.052 17.459 -5.546 328 HB2 LYS 60 HB1 LYS 60 -10.116 16.371 -8.070 329 HB3 LYS 60 HB2 LYS 60 -10.524 15.431 -6.627 330 HG2 LYS 60 HG1 LYS 60 -11.926 16.997 -5.822 331 HG3 LYS 60 HG2 LYS 60 -10.909 18.335 -6.383 332 HD2 LYS 60 HD1 LYS 60 -11.675 17.693 -8.750 333 HD3 LYS 60 HD2 LYS 60 -12.928 16.742 -7.935 334 HE2 LYS 60 HE1 LYS 60 -12.462 19.693 -7.454 335 HE3 LYS 60 HE2 LYS 60 -13.644 19.041 -8.600 336 HZ1 LYS 60 HZ1 LYS 60 -13.705 18.143 -5.800 337 HZ2 LYS 60 HZ2 LYS 60 -14.966 18.232 -6.923 338 HZ3 LYS 60 HZ3 LYS 60 -14.372 19.644 -6.205 339 HA PRO 61 HA PRO 61 -7.017 13.928 -3.921 340 HB2 PRO 61 HB1 PRO 61 -8.947 12.807 -2.335 341 HB3 PRO 61 HB2 PRO 61 -8.123 14.315 -1.944 342 HG2 PRO 61 HG1 PRO 61 -10.792 13.890 -3.245 343 HG3 PRO 61 HG2 PRO 61 -10.335 15.031 -1.926 344 HD2 PRO 61 HD1 PRO 61 -10.628 15.816 -4.508 345 HD3 PRO 61 HD2 PRO 61 -9.439 16.546 -3.416 346 H PHE 62 H PHE 62 -6.555 11.895 -4.544 347 HA PHE 62 HA PHE 62 -8.498 9.959 -5.265 348 HB2 PHE 62 HB1 PHE 62 -8.193 9.793 -7.617 349 HB3 PHE 62 HB2 PHE 62 -8.536 11.489 -7.277 350 HD1 PHE 62 HD1 PHE 62 -6.322 12.921 -6.749 351 HD2 PHE 62 HD2 PHE 62 -6.500 9.393 -9.123 352 HE1 PHE 62 HE1 PHE 62 -4.258 13.599 -7.906 353 HE2 PHE 62 HE2 PHE 62 -4.437 10.064 -10.282 354 HZ PHE 62 HZ PHE 62 -3.312 12.170 -9.673 355 H CYS 63 H CYS 63 -7.320 8.063 -6.492 356 HA CYS 63 HA CYS 63 -4.951 7.487 -4.914 357 HB2 CYS 63 HB1 CYS 63 -6.749 5.839 -6.684 358 HB3 CYS 63 HB2 CYS 63 -5.219 5.202 -6.080 359 H ALA 64 H ALA 64 -2.936 7.623 -5.645 360 HA ALA 64 HA ALA 64 -2.492 7.630 -8.558 361 HB1 ALA 64 HB1 ALA 64 -1.957 9.792 -8.304 362 HB2 ALA 64 HB2 ALA 64 -1.759 9.642 -6.557 363 HB3 ALA 64 HB3 ALA 64 -0.447 9.170 -7.637 364 H THR 65 H THR 65 -0.679 6.580 -9.306 365 HA THR 65 HA THR 65 0.272 4.374 -7.951 366 HB THR 65 HB THR 65 2.165 4.364 -9.587 367 HG1 THR 65 HG1 THR 65 2.651 6.380 -10.146 368 HG21 THR 65 HG21 THR 65 -0.561 4.005 -10.035 369 HG22 THR 65 HG22 THR 65 0.762 3.413 -11.041 370 HG23 THR 65 HG23 THR 65 -0.004 4.958 -11.409 371 H CYS 66 H CYS 66 2.457 3.890 -7.180 372 HA CYS 66 HA CYS 66 3.411 6.020 -5.441 373 HB2 CYS 66 HB1 CYS 66 4.658 4.303 -4.288 374 HB3 CYS 66 HB2 CYS 66 3.004 3.744 -4.537 375 H ARG 67 H ARG 67 5.419 6.932 -5.514 376 HA ARG 67 HA ARG 67 6.726 7.178 -7.955 377 HB2 ARG 67 HB1 ARG 67 7.968 7.590 -5.226 378 HB3 ARG 67 HB2 ARG 67 8.476 8.332 -6.750 379 HG2 ARG 67 HG1 ARG 67 5.881 8.830 -5.290 380 HG3 ARG 67 HG2 ARG 67 7.259 9.934 -5.426 381 HD2 ARG 67 HD1 ARG 67 6.954 9.964 -7.893 382 HD3 ARG 67 HD2 ARG 67 5.517 8.954 -7.684 383 HE ARG 67 HE ARG 67 5.215 11.213 -6.072 384 HH11 ARG 67 HH11 ARG 67 5.401 10.386 -9.449 385 HH12 ARG 67 HH12 ARG 67 4.413 11.713 -9.962 386 HH21 ARG 67 HH21 ARG 67 3.912 12.964 -6.737 387 HH22 ARG 67 HH22 ARG 67 3.568 13.180 -8.419 388 H GLY 68 H GLY 68 7.771 5.658 -9.054 389 HA2 GLY 68 HA2 GLY 68 8.699 3.235 -7.961 390 HA3 GLY 68 HA3 GLY 68 9.113 3.864 -9.549 391 HA1 GLY 68 HA1 GLY 68 8.865 3.925 -7.439 392 H LEU 69 H LEU 69 11.117 2.599 -8.673 393 HA LEU 69 HA LEU 69 12.788 3.806 -6.754 394 HB2 LEU 69 HB1 LEU 69 13.312 1.925 -9.049 395 HB3 LEU 69 HB2 LEU 69 14.607 2.505 -7.986 396 HG LEU 69 HG LEU 69 12.215 0.870 -7.142 397 HD11 LEU 69 HD11 LEU 69 15.103 0.055 -7.086 398 HD12 LEU 69 HD12 LEU 69 14.074 -0.237 -8.487 399 HD13 LEU 69 HD13 LEU 69 13.666 -0.956 -6.930 400 HD21 LEU 69 HD21 LEU 69 12.599 1.709 -5.115 401 HD22 LEU 69 HD22 LEU 69 14.075 2.516 -5.647 402 HD23 LEU 69 HD23 LEU 69 14.127 0.827 -5.137 403 H ARG 70 H ARG 70 12.263 4.422 -10.142 404 HA ARG 70 HA ARG 70 14.556 6.227 -10.273 405 HB2 ARG 70 HB1 ARG 70 12.611 5.192 -12.336 406 HB3 ARG 70 HB2 ARG 70 13.766 6.485 -12.687 407 HG2 ARG 70 HG1 ARG 70 15.438 4.649 -11.634 408 HG3 ARG 70 HG2 ARG 70 14.208 3.596 -12.356 409 HD2 ARG 70 HD1 ARG 70 14.468 5.057 -14.464 410 HD3 ARG 70 HD2 ARG 70 15.959 5.627 -13.700 411 HE ARG 70 HE ARG 70 16.941 3.602 -14.151 412 HH11 ARG 70 HH11 ARG 70 13.502 3.364 -14.639 413 HH12 ARG 70 HH12 ARG 70 13.583 1.799 -15.376 414 HH21 ARG 70 HH21 ARG 70 17.061 1.539 -15.118 415 HH22 ARG 70 HH22 ARG 70 15.608 0.761 -15.647 416 H ARG 71 H ARG 71 11.776 6.563 -8.873 417 HA ARG 71 HA ARG 71 11.134 9.190 -10.036 418 HB2 ARG 71 HB1 ARG 71 9.460 7.332 -8.332 419 HB3 ARG 71 HB2 ARG 71 8.961 8.955 -8.828 420 HG2 ARG 71 HG1 ARG 71 9.595 6.681 -10.711 421 HG3 ARG 71 HG2 ARG 71 7.972 7.205 -10.231 422 HD2 ARG 71 HD1 ARG 71 10.016 8.906 -11.679 423 HD3 ARG 71 HD2 ARG 71 8.614 8.117 -12.414 424 HE ARG 71 HE ARG 71 7.528 9.635 -10.441 425 HH11 ARG 71 HH11 ARG 71 9.682 10.290 -13.097 426 HH12 ARG 71 HH12 ARG 71 9.140 11.923 -13.304 427 HH21 ARG 71 HH21 ARG 71 6.805 11.783 -10.704 428 HH22 ARG 71 HH22 ARG 71 7.504 12.771 -11.942 429 H ARG 72 H ARG 72 10.861 10.982 -8.673 430 HA ARG 72 HA ARG 72 12.607 11.030 -6.415 431 HB2 ARG 72 HB1 ARG 72 10.636 13.134 -7.342 432 HB3 ARG 72 HB2 ARG 72 11.996 13.380 -6.235 433 HG2 ARG 72 HG1 ARG 72 12.811 12.217 -8.783 434 HG3 ARG 72 HG2 ARG 72 12.030 13.797 -8.948 435 HD2 ARG 72 HD1 ARG 72 13.989 13.622 -6.754 436 HD3 ARG 72 HD2 ARG 72 14.665 13.420 -8.377 437 HE ARG 72 HE ARG 72 13.062 15.627 -8.571 438 HH11 ARG 72 HH11 ARG 72 15.748 14.684 -6.567 439 HH12 ARG 72 HH12 ARG 72 16.324 16.304 -6.349 440 HH21 ARG 72 HH21 ARG 72 13.810 17.764 -8.292 441 HH22 ARG 72 HH22 ARG 72 15.220 18.055 -7.331 442 H CYS 73 H CYS 73 11.974 11.804 -4.265 443 HA CYS 73 HA CYS 73 9.215 11.457 -3.469 444 HB2 CYS 73 HB1 CYS 73 9.625 9.692 -1.859 445 HB3 CYS 73 HB2 CYS 73 10.081 9.140 -3.472 446 H GLN 74 H GLN 74 8.875 11.992 -1.181 447 HA GLN 74 HA GLN 74 10.977 13.797 -0.180 448 HB2 GLN 74 HB1 GLN 74 8.044 14.108 -0.459 449 HB3 GLN 74 HB2 GLN 74 8.760 14.747 1.029 450 HG2 GLN 74 HG1 GLN 74 10.170 16.231 -0.161 451 HG3 GLN 74 HG2 GLN 74 9.789 15.451 -1.702 452 HE21 GLN 74 HE21 GLN 74 9.086 18.007 0.299 453 HE22 GLN 74 HE22 GLN 74 7.591 18.503 -0.408 454 H ARG 75 H ARG 75 8.801 11.206 0.545 455 HA ARG 75 HA ARG 75 10.028 10.963 3.196 456 HB2 ARG 75 HB1 ARG 75 7.342 11.738 2.739 457 HB3 ARG 75 HB2 ARG 75 7.307 10.071 3.335 458 HG2 ARG 75 HG1 ARG 75 8.793 10.820 5.229 459 HG3 ARG 75 HG2 ARG 75 8.491 12.479 4.686 460 HD2 ARG 75 HD1 ARG 75 6.047 12.077 4.934 461 HD3 ARG 75 HD2 ARG 75 6.425 10.479 5.594 462 HE ARG 75 HE ARG 75 6.894 11.474 7.590 463 HH11 ARG 75 HH11 ARG 75 7.091 13.876 5.078 464 HH12 ARG 75 HH12 ARG 75 7.337 15.193 6.176 465 HH21 ARG 75 HH21 ARG 75 7.217 13.201 9.046 466 HH22 ARG 75 HH22 ARG 75 7.410 14.808 8.433 467 H ASP 76 H ASP 76 9.962 8.811 4.075 468 HA ASP 76 HA ASP 76 10.246 6.803 2.029 469 HB2 ASP 76 HB1 ASP 76 10.329 6.213 4.975 470 HB3 ASP 76 HB2 ASP 76 11.253 5.472 3.660 471 HD2 ASP 76 HD ASP 76 12.598 8.863 5.207 472 H ALA 77 H ALA 77 7.841 7.756 4.329 473 HA ALA 77 HA ALA 77 6.390 5.285 4.321 474 HB1 ALA 77 HB1 ALA 77 6.376 7.195 6.081 475 HB2 ALA 77 HB2 ALA 77 5.143 7.904 5.037 476 HB3 ALA 77 HB3 ALA 77 4.888 6.309 5.745 477 H MET 78 H MET 78 6.488 8.103 2.313 478 HA MET 78 HA MET 78 3.950 7.487 1.031 479 HB2 MET 78 HB1 MET 78 4.288 9.503 -0.253 480 HB3 MET 78 HB2 MET 78 4.619 9.840 1.452 481 HG2 MET 78 HG1 MET 78 6.970 9.865 1.098 482 HG3 MET 78 HG2 MET 78 6.782 9.212 -0.532 483 HE1 MET 78 HE1 MET 78 5.135 12.166 -2.457 484 HE2 MET 78 HE2 MET 78 6.194 10.781 -2.714 485 HE3 MET 78 HE3 MET 78 4.641 10.565 -1.907 486 H CYS 79 H CYS 79 7.291 6.831 0.631 487 HA CYS 79 HA CYS 79 7.424 6.493 -2.158 488 HB2 CYS 79 HB1 CYS 79 9.139 6.137 0.060 489 HB3 CYS 79 HB2 CYS 79 9.105 4.594 -0.795 490 H CYS 80 H CYS 80 7.785 4.335 -3.229 491 HA CYS 80 HA CYS 80 5.482 2.815 -3.219 492 HB2 CYS 80 HB1 CYS 80 8.268 2.346 -4.207 493 HB3 CYS 80 HB2 CYS 80 7.119 1.009 -4.242 494 HA PRO 81 HA PRO 81 5.667 -0.012 0.130 495 HB2 PRO 81 HB1 PRO 81 4.678 -2.309 -0.986 496 HB3 PRO 81 HB2 PRO 81 3.686 -0.895 -0.632 497 HG2 PRO 81 HG1 PRO 81 4.949 -1.734 -3.220 498 HG3 PRO 81 HG2 PRO 81 3.278 -1.135 -2.909 499 HD2 PRO 81 HD1 PRO 81 5.232 0.444 -3.938 500 HD3 PRO 81 HD2 PRO 81 3.969 1.063 -2.860 501 H GLY 82 H GLY 82 7.517 -0.755 0.955 502 HA2 GLY 82 HA2 GLY 82 9.144 -2.422 1.275 503 HA3 GLY 82 HA3 GLY 82 8.859 -2.985 -0.365 504 HA1 GLY 82 HA1 GLY 82 9.122 -1.546 1.178 505 H THR 83 H THR 83 9.517 0.343 0.582 506 HA THR 83 HA THR 83 12.270 0.169 -0.324 507 HB THR 83 HB THR 83 11.930 2.104 -1.920 508 HG1 THR 83 HG1 THR 83 9.714 2.170 -2.771 509 HG21 THR 83 HG21 THR 83 11.273 0.685 -3.774 510 HG22 THR 83 HG22 THR 83 10.554 -0.481 -2.661 511 HG23 THR 83 HG23 THR 83 12.299 -0.225 -2.665 512 H LEU 84 H LEU 84 13.262 2.476 -0.283 513 HA LEU 84 HA LEU 84 12.106 3.998 1.955 514 HB2 LEU 84 HB1 LEU 84 14.788 2.789 1.659 515 HB3 LEU 84 HB2 LEU 84 14.743 4.442 2.294 516 HG LEU 84 HG LEU 84 12.898 2.555 3.598 517 HD11 LEU 84 HD11 LEU 84 14.407 1.181 4.614 518 HD12 LEU 84 HD12 LEU 84 15.742 2.317 4.425 519 HD13 LEU 84 HD13 LEU 84 15.189 1.370 3.045 520 HD21 LEU 84 HD21 LEU 84 13.034 4.686 4.551 521 HD22 LEU 84 HD22 LEU 84 14.791 4.737 4.412 522 HD23 LEU 84 HD23 LEU 84 14.031 3.679 5.601 523 H CYS 85 H CYS 85 12.939 6.238 2.100 524 HA CYS 85 HA CYS 85 13.268 7.348 -0.596 525 HB2 CYS 85 HB1 CYS 85 11.341 8.043 0.934 526 HB3 CYS 85 HB2 CYS 85 12.554 8.887 1.896 527 H VAL 86 H VAL 86 15.290 7.794 -1.154 528 HA VAL 86 HA VAL 86 17.023 9.139 0.798 529 HB VAL 86 HB VAL 86 18.017 6.967 -1.047 530 HG11 VAL 86 HG11 VAL 86 19.317 8.526 1.181 531 HG12 VAL 86 HG12 VAL 86 20.037 7.114 0.404 532 HG13 VAL 86 HG13 VAL 86 19.721 8.574 -0.535 533 HG21 VAL 86 HG21 VAL 86 17.276 6.863 1.868 534 HG22 VAL 86 HG22 VAL 86 16.656 5.864 0.554 535 HG23 VAL 86 HG23 VAL 86 18.323 5.672 1.097 536 H ASN 87 H ASN 87 18.294 10.742 -0.019 537 HA ASN 87 HA ASN 87 18.910 12.403 -1.449 538 HB2 ASN 87 HB1 ASN 87 20.094 10.212 -2.326 539 HB3 ASN 87 HB2 ASN 87 19.013 10.440 -3.705 540 HD21 ASN 87 HD21 ASN 87 20.056 11.343 -5.315 541 HD22 ASN 87 HD22 ASN 87 21.180 12.650 -5.199 542 H ASP 88 H ASP 88 16.124 12.057 -1.145 543 HA ASP 88 HA ASP 88 14.145 12.745 -2.032 544 HB2 ASP 88 HB1 ASP 88 15.923 14.610 -2.758 545 HB3 ASP 88 HB2 ASP 88 15.467 14.031 -4.366 546 HD2 ASP 88 HD ASP 88 12.248 15.336 -4.084 547 H VAL 89 H VAL 89 15.432 10.232 -2.962 548 HA VAL 89 HA VAL 89 13.691 9.802 -5.270 549 HB VAL 89 HB VAL 89 16.604 8.998 -5.242 550 HG11 VAL 89 HG11 VAL 89 14.349 8.361 -7.120 551 HG12 VAL 89 HG12 VAL 89 16.040 8.276 -7.618 552 HG13 VAL 89 HG13 VAL 89 15.451 7.250 -6.309 553 HG21 VAL 89 HG21 VAL 89 15.162 10.887 -7.096 554 HG22 VAL 89 HG22 VAL 89 16.159 11.396 -5.734 555 HG23 VAL 89 HG23 VAL 89 16.887 10.520 -7.080 556 H CYS 90 H CYS 90 12.793 7.788 -5.363 557 HA CYS 90 HA CYS 90 12.805 6.223 -2.996 558 HB2 CYS 90 HB1 CYS 90 11.082 6.529 -5.086 559 HB3 CYS 90 HB2 CYS 90 11.788 4.956 -5.460 560 H THR 91 H THR 91 14.142 4.660 -2.397 561 HA THR 91 HA THR 91 15.654 3.215 -4.471 562 HB THR 91 HB THR 91 17.098 4.894 -3.319 563 HG1 THR 91 HG1 THR 91 18.738 3.494 -3.356 564 HG21 THR 91 HG21 THR 91 17.760 4.493 -1.001 565 HG22 THR 91 HG22 THR 91 16.615 3.156 -0.895 566 HG23 THR 91 HG23 THR 91 16.028 4.806 -1.110 567 H THR 92 H THR 92 16.327 1.076 -3.893 568 HA THR 92 HA THR 92 14.352 -0.338 -2.388 569 HB THR 92 HB THR 92 16.252 -2.221 -2.808 570 HG1 THR 92 HG1 THR 92 17.734 -1.431 -4.087 571 HG21 THR 92 HG21 THR 92 13.828 -1.363 -4.055 572 HG22 THR 92 HG22 THR 92 14.516 -2.985 -3.973 573 HG23 THR 92 HG23 THR 92 14.952 -1.907 -5.300 574 H MET 93 H MET 93 14.873 -1.884 -0.657 575 HA MET 93 HA MET 93 16.217 -0.614 1.483 576 HB2 MET 93 HB1 MET 93 14.277 -2.292 1.573 577 HB3 MET 93 HB2 MET 93 15.520 -3.542 1.405 578 HG2 MET 93 HG1 MET 93 16.578 -2.867 3.456 579 HG3 MET 93 HG2 MET 93 15.500 -1.477 3.589 580 HE1 MET 93 HE1 MET 93 12.523 -2.024 4.216 581 HE2 MET 93 HE2 MET 93 12.967 -2.557 5.838 582 HE3 MET 93 HE3 MET 93 13.926 -1.322 5.021 583 H GLU 94 H GLU 94 17.186 -2.992 -0.878 584 HA GLU 94 HA GLU 94 19.520 -3.887 0.484 585 HB2 GLU 94 HB1 GLU 94 18.326 -4.212 -2.204 586 HB3 GLU 94 HB2 GLU 94 20.084 -4.394 -2.117 587 HG2 GLU 94 HG1 GLU 94 19.981 -6.274 -0.805 588 HG3 GLU 94 HG2 GLU 94 18.388 -5.856 -0.157 589 HE2 GLU 94 HE GLU 94 18.182 -8.503 -2.743 590 H ASP 95 H ASP 95 18.828 -1.289 -1.767 591 HA ASP 95 HA ASP 95 21.541 -0.613 -2.307 592 HB2 ASP 95 HB1 ASP 95 18.943 0.276 -3.127 593 HB3 ASP 95 HB2 ASP 95 19.891 1.680 -2.618 594 HD2 ASP 95 HD ASP 95 21.929 1.502 -5.379 595 H ALA 96 H ALA 96 19.070 0.845 -0.197 596 HA ALA 96 HA ALA 96 20.839 2.752 0.944 597 HB1 ALA 96 HB1 ALA 96 19.049 3.126 2.582 598 HB2 ALA 96 HB2 ALA 96 18.439 3.111 0.927 599 HB3 ALA 96 HB3 ALA 96 18.202 1.705 1.967 600 H THR 97 H THR 97 19.982 -0.542 1.732 601 HA THR 97 HA THR 97 20.742 -2.010 3.298 602 HB THR 97 HB THR 97 23.156 -0.300 3.773 603 HG1 THR 97 HG1 THR 97 23.646 -0.350 1.723 604 HG21 THR 97 HG21 THR 97 23.852 -2.932 3.174 605 HG22 THR 97 HG22 THR 97 22.375 -3.063 4.130 606 HG23 THR 97 HG23 THR 97 23.770 -2.198 4.775 607 H GLU 98 H GLU 98 19.131 -1.542 4.833 608 HA GLU 98 HA GLU 98 19.731 0.440 6.887 609 HB2 GLU 98 HB1 GLU 98 17.314 -1.300 6.361 610 HB3 GLU 98 HB2 GLU 98 17.462 -0.231 7.764 611 HG2 GLU 98 HG1 GLU 98 17.534 0.649 4.878 612 HG3 GLU 98 HG2 GLU 98 16.146 0.778 5.968 613 HE2 GLU 98 HE GLU 98 17.499 3.521 7.610 614 H ASN 99 H ASN 99 21.407 -0.446 8.058 615 HA ASN 99 HA ASN 99 20.695 -2.335 10.064 616 HB2 ASN 99 HB1 ASN 99 21.176 -3.794 8.031 617 HB3 ASN 99 HB2 ASN 99 22.857 -3.267 8.176 618 HD21 ASN 99 HD21 ASN 99 21.670 -5.928 8.465 619 HD22 ASN 99 HD22 ASN 99 22.136 -6.483 10.034 620 H LEU 100 H LEU 100 23.455 -0.932 8.315 621 HA LEU 100 HA LEU 100 25.348 0.105 9.029 622 HB2 LEU 100 HB1 LEU 100 23.223 1.204 10.423 623 HB3 LEU 100 HB2 LEU 100 24.401 0.811 11.688 624 HG LEU 100 HG LEU 100 26.099 2.131 10.383 625 HD11 LEU 100 HD11 LEU 100 24.324 3.821 8.985 626 HD12 LEU 100 HD12 LEU 100 23.975 2.168 8.484 627 HD13 LEU 100 HD13 LEU 100 25.611 2.807 8.332 628 HD21 LEU 100 HD21 LEU 100 23.662 3.308 11.646 629 HD22 LEU 100 HD22 LEU 100 24.885 4.369 10.945 630 HD23 LEU 100 HD23 LEU 100 25.321 3.253 12.240 631 H TYR 101 H TYR 101 26.820 0.316 11.163 632 HA TYR 101 HA TYR 101 27.306 -2.451 11.965 633 HB2 TYR 101 HB1 TYR 101 28.956 0.008 11.700 634 HB3 TYR 101 HB2 TYR 101 29.423 -1.127 12.971 635 HD1 TYR 101 HD1 TYR 101 29.657 -3.630 12.257 636 HD2 TYR 101 HD2 TYR 101 29.758 -0.357 9.540 637 HE1 TYR 101 HE1 TYR 101 30.826 -5.038 10.615 638 HE2 TYR 101 HE2 TYR 101 30.925 -1.757 7.889 639 HH TYR 101 HH TYR 101 32.537 -4.053 8.236 640 H PHE 102 H PHE 102 28.225 -2.713 14.243 641 HA PHE 102 HA PHE 102 26.924 -0.952 16.185 642 HB2 PHE 102 HB1 PHE 102 26.012 -2.865 17.431 643 HB3 PHE 102 HB2 PHE 102 25.327 -2.760 15.808 644 HD1 PHE 102 HD1 PHE 102 26.142 -4.294 14.013 645 HD2 PHE 102 HD2 PHE 102 27.204 -4.794 18.104 646 HE1 PHE 102 HE1 PHE 102 26.799 -6.621 13.555 647 HE2 PHE 102 HE2 PHE 102 27.863 -7.121 17.653 648 HZ PHE 102 HZ PHE 102 27.661 -8.037 15.376 649 H GLN 103 H GLN 103 27.610 -1.559 18.469 650 HA GLN 103 HA GLN 103 29.988 -3.056 18.864 651 HB2 GLN 103 HB1 GLN 103 30.345 -0.421 17.874 652 HB3 GLN 103 HB2 GLN 103 30.826 -0.412 19.579 653 HG2 GLN 103 HG1 GLN 103 32.280 -2.394 19.103 654 HG3 GLN 103 HG2 GLN 103 31.918 -2.154 17.387 655 HE21 GLN 103 HE21 GLN 103 33.339 -0.642 20.224 656 HE22 GLN 103 HE22 GLN 103 34.402 0.411 19.360 657 H SER 104 H SER 104 28.414 -0.109 20.116 658 HA SER 104 HA SER 104 27.643 0.443 22.184 659 HB2 SER 104 HB1 SER 104 26.853 -2.255 21.722 660 HB3 SER 104 HB2 SER 104 27.346 -2.119 23.419 661 HG SER 104 HG SER 104 25.162 -1.065 22.145 662 H LEU 105 H LEU 105 28.015 -0.092 24.651 663 HA LEU 105 HA LEU 105 30.870 -0.708 25.031 664 HB2 LEU 105 HB1 LEU 105 29.663 1.780 25.331 665 HB3 LEU 105 HB2 LEU 105 29.795 1.148 26.982 666 HG LEU 105 HG LEU 105 32.237 0.803 26.580 667 HD11 LEU 105 HD11 LEU 105 33.171 1.112 24.590 668 HD12 LEU 105 HD12 LEU 105 32.414 2.693 24.404 669 HD13 LEU 105 HD13 LEU 105 31.542 1.237 23.926 670 HD21 LEU 105 HD21 LEU 105 31.022 2.920 27.545 671 HD22 LEU 105 HD22 LEU 105 31.641 3.680 26.079 672 HD23 LEU 105 HD23 LEU 105 32.757 2.940 27.228 673 H GLU 106 H GLU 106 31.427 -1.325 27.268 674 HA GLU 106 HA GLU 106 29.223 -2.336 28.882 675 HB2 GLU 106 HB1 GLU 106 31.445 -4.122 27.860 676 HB3 GLU 106 HB2 GLU 106 30.199 -4.588 29.029 677 HG2 GLU 106 HG1 GLU 106 28.465 -4.195 27.321 678 HG3 GLU 106 HG2 GLU 106 29.743 -3.818 26.156 679 HE2 GLU 106 HE GLU 106 29.516 -7.616 27.322 680 H HIS 107 H HIS 107 29.922 -3.057 31.021 681 HA HIS 107 HA HIS 107 32.359 -1.642 31.869 682 HB2 HIS 107 HB1 HIS 107 29.675 -2.023 33.091 683 HB3 HIS 107 HB2 HIS 107 31.057 -2.009 34.190 684 HD1 HIS 107 HD1 HIS 107 28.700 0.230 32.786 685 HD2 HIS 107 HD2 HIS 107 32.768 0.437 33.601 686 HE1 HIS 107 HE1 HIS 107 29.248 2.684 32.854 687 HE2 HIS 107 HE2 HIS 107 31.735 2.811 33.351 688 H HIS 108 H HIS 108 33.665 -2.593 33.529 689 HA HIS 108 HA HIS 108 33.351 -5.506 33.802 690 HB2 HIS 108 HB1 HIS 108 35.167 -4.607 32.135 691 HB3 HIS 108 HB2 HIS 108 36.077 -4.274 33.610 692 HD1 HIS 108 HD1 HIS 108 35.255 -6.971 31.294 693 HD2 HIS 108 HD2 HIS 108 36.604 -6.651 35.211 694 HE1 HIS 108 HE1 HIS 108 36.177 -9.238 31.875 695 HE2 HIS 108 HE2 HIS 108 37.000 -9.043 34.269 696 H HIS 109 H HIS 109 34.271 -6.430 35.703 697 HA HIS 109 HA HIS 109 35.321 -4.694 37.758 698 HB2 HIS 109 HB1 HIS 109 32.507 -5.316 37.647 699 HB3 HIS 109 HB2 HIS 109 33.224 -6.021 39.100 700 HD1 HIS 109 HD1 HIS 109 32.652 -2.687 37.451 701 HD2 HIS 109 HD2 HIS 109 33.924 -4.237 41.091 702 HE1 HIS 109 HE1 HIS 109 32.748 -0.726 39.022 703 HE2 HIS 109 HE2 HIS 109 33.525 -1.671 41.246 704 H HIS 110 H HIS 110 36.865 -5.801 38.748 705 HA HIS 110 HA HIS 110 36.561 -8.720 39.006 706 HB2 HIS 110 HB1 HIS 110 38.332 -7.717 37.343 707 HB3 HIS 110 HB2 HIS 110 39.265 -7.445 38.817 708 HD1 HIS 110 HD1 HIS 110 37.887 -10.278 39.963 709 HD2 HIS 110 HD2 HIS 110 40.387 -9.648 36.706 710 HE1 HIS 110 HE1 HIS 110 38.978 -12.499 39.514 711 HE2 HIS 110 HE2 HIS 110 40.505 -12.116 37.523 712 H HIS 111 H HIS 111 35.724 -8.514 41.107 713 HA HIS 111 HA HIS 111 37.556 -7.399 43.118 714 HB2 HIS 111 HB1 HIS 111 34.755 -7.194 42.773 715 HB3 HIS 111 HB2 HIS 111 35.014 -8.186 44.212 716 HD1 HIS 111 HD1 HIS 111 35.911 -7.054 46.304 717 HD2 HIS 111 HD2 HIS 111 35.752 -4.527 43.009 718 HE1 HIS 111 HE1 HIS 111 36.333 -4.744 47.206 719 HE2 HIS 111 HE2 HIS 111 36.237 -3.200 45.193 720 H HIS 112 H HIS 112 37.787 -8.581 45.151 721 HA HIS 112 HA HIS 112 38.667 -11.182 44.817 722 HB2 HIS 112 HB1 HIS 112 38.679 -11.348 47.275 723 HB3 HIS 112 HB2 HIS 112 39.350 -9.813 46.713 724 HD1 HIS 112 HD1 HIS 112 38.493 -7.804 47.868 725 HD2 HIS 112 HD2 HIS 112 35.804 -10.964 48.069 726 HE1 HIS 112 HE1 HIS 112 36.600 -6.984 49.304 727 HE2 HIS 112 HE2 HIS 112 34.955 -8.915 49.429 Start of MODEL 18 1 H1 MET 18 H MET 18 -55.575 11.851 53.731 2 HA MET 18 HA MET 18 -53.387 10.908 53.047 3 HB2 MET 18 HB1 MET 18 -55.680 9.668 52.796 4 HB3 MET 18 HB2 MET 18 -55.396 9.901 51.066 5 HG2 MET 18 HG1 MET 18 -53.328 8.668 51.169 6 HG3 MET 18 HG2 MET 18 -53.457 8.552 52.925 7 HE1 MET 18 HE1 MET 18 -53.437 5.486 52.807 8 HE2 MET 18 HE2 MET 18 -53.886 6.752 53.950 9 HE3 MET 18 HE3 MET 18 -55.014 5.442 53.596 10 H LEU 19 H LEU 19 -51.737 11.011 51.630 11 HA LEU 19 HA LEU 19 -51.927 12.902 49.462 12 HB2 LEU 19 HB1 LEU 19 -49.894 11.953 51.145 13 HB3 LEU 19 HB2 LEU 19 -49.464 11.404 49.516 14 HG LEU 19 HG LEU 19 -50.207 14.264 49.891 15 HD11 LEU 19 HD11 LEU 19 -47.555 13.073 50.683 16 HD12 LEU 19 HD12 LEU 19 -48.699 13.899 51.740 17 HD13 LEU 19 HD13 LEU 19 -47.871 14.794 50.466 18 HD21 LEU 19 HD21 LEU 19 -48.024 13.016 48.242 19 HD22 LEU 19 HD22 LEU 19 -48.770 14.603 48.052 20 HD23 LEU 19 HD23 LEU 19 -49.690 13.145 47.678 21 H VAL 20 H VAL 20 -52.191 12.469 47.366 22 HA VAL 20 HA VAL 20 -52.247 9.648 46.542 23 HB VAL 20 HB VAL 20 -54.344 10.874 46.208 24 HG11 VAL 20 HG11 VAL 20 -53.405 12.516 43.991 25 HG12 VAL 20 HG12 VAL 20 -54.483 12.923 45.327 26 HG13 VAL 20 HG13 VAL 20 -52.735 13.002 45.549 27 HG21 VAL 20 HG21 VAL 20 -54.794 10.054 44.079 28 HG22 VAL 20 HG22 VAL 20 -53.181 10.442 43.480 29 HG23 VAL 20 HG23 VAL 20 -53.408 9.090 44.590 30 H LEU 21 H LEU 21 -51.135 8.935 44.748 31 HA LEU 21 HA LEU 21 -48.876 10.580 43.955 32 HB2 LEU 21 HB1 LEU 21 -49.542 7.749 43.135 33 HB3 LEU 21 HB2 LEU 21 -47.988 8.582 42.951 34 HG LEU 21 HG LEU 21 -48.634 8.621 45.707 35 HD11 LEU 21 HD11 LEU 21 -50.087 6.611 44.751 36 HD12 LEU 21 HD12 LEU 21 -49.265 6.526 46.308 37 HD13 LEU 21 HD13 LEU 21 -48.539 5.776 44.887 38 HD21 LEU 21 HD21 LEU 21 -46.638 6.933 45.649 39 HD22 LEU 21 HD22 LEU 21 -46.395 8.617 45.184 40 HD23 LEU 21 HD23 LEU 21 -46.575 7.375 43.943 41 H ASP 22 H ASP 22 -48.769 11.692 42.121 42 HA ASP 22 HA ASP 22 -50.301 10.830 39.794 43 HB2 ASP 22 HB1 ASP 22 -51.693 12.468 41.142 44 HB3 ASP 22 HB2 ASP 22 -50.467 13.685 40.762 45 HD2 ASP 22 HD ASP 22 -52.193 12.352 37.472 46 H PHE 23 H PHE 23 -48.284 10.335 38.877 47 HA PHE 23 HA PHE 23 -46.577 12.659 38.277 48 HB2 PHE 23 HB1 PHE 23 -44.795 10.957 37.795 49 HB3 PHE 23 HB2 PHE 23 -45.318 11.014 39.478 50 HD1 PHE 23 HD1 PHE 23 -45.356 9.036 36.404 51 HD2 PHE 23 HD2 PHE 23 -46.549 9.203 40.486 52 HE1 PHE 23 HE1 PHE 23 -45.844 6.625 36.356 53 HE2 PHE 23 HE2 PHE 23 -47.038 6.792 40.444 54 HZ PHE 23 HZ PHE 23 -46.686 5.500 38.378 55 H ASN 24 H ASN 24 -46.176 13.212 36.201 56 HA ASN 24 HA ASN 24 -46.540 11.456 33.993 57 HB2 ASN 24 HB1 ASN 24 -48.928 12.239 34.826 58 HB3 ASN 24 HB2 ASN 24 -48.512 13.701 33.922 59 HD21 ASN 24 HD21 ASN 24 -49.371 10.376 33.723 60 HD22 ASN 24 HD22 ASN 24 -49.532 10.297 32.005 61 H ASN 25 H ASN 25 -44.877 12.085 32.792 62 HA ASN 25 HA ASN 25 -44.743 14.668 31.637 63 HB2 ASN 25 HB1 ASN 25 -42.440 15.214 32.625 64 HB3 ASN 25 HB2 ASN 25 -43.849 15.499 33.653 65 HD21 ASN 25 HD21 ASN 25 -40.844 14.080 33.476 66 HD22 ASN 25 HD22 ASN 25 -40.945 13.066 34.871 67 H ILE 26 H ILE 26 -44.505 13.645 29.696 68 HA ILE 26 HA ILE 26 -41.927 12.300 29.265 69 HB ILE 26 HB ILE 26 -43.111 10.807 27.597 70 HG12 ILE 26 HG11 ILE 26 -45.623 10.921 29.080 71 HG13 ILE 26 HG12 ILE 26 -45.286 12.423 28.203 72 HG21 ILE 26 HG21 ILE 26 -43.845 9.212 29.327 73 HG22 ILE 26 HG22 ILE 26 -42.291 9.954 29.705 74 HG23 ILE 26 HG23 ILE 26 -43.752 10.501 30.527 75 HD11 ILE 26 HD11 ILE 26 -46.167 9.872 27.192 76 HD12 ILE 26 HD12 ILE 26 -46.140 11.452 26.407 77 HD13 ILE 26 HD13 ILE 26 -44.707 10.425 26.371 78 H ARG 27 H ARG 27 -41.050 12.515 27.174 79 HA ARG 27 HA ARG 27 -42.401 14.423 25.397 80 HB2 ARG 27 HB1 ARG 27 -39.718 14.661 26.673 81 HB3 ARG 27 HB2 ARG 27 -39.886 15.215 25.002 82 HG2 ARG 27 HG1 ARG 27 -41.932 16.148 26.937 83 HG3 ARG 27 HG2 ARG 27 -40.294 16.808 27.091 84 HD2 ARG 27 HD1 ARG 27 -40.906 16.847 24.335 85 HD3 ARG 27 HD2 ARG 27 -42.335 17.455 25.183 86 HE ARG 27 HE ARG 27 -39.923 18.651 26.141 87 HH11 ARG 27 HH11 ARG 27 -42.309 18.761 23.608 88 HH12 ARG 27 HH12 ARG 27 -42.037 20.433 23.246 89 HH21 ARG 27 HH21 ARG 27 -39.555 20.852 25.673 90 HH22 ARG 27 HH22 ARG 27 -40.470 21.621 24.420 91 H SER 28 H SER 28 -39.525 12.329 25.658 92 HA SER 28 HA SER 28 -38.524 10.926 24.171 93 HB2 SER 28 HB1 SER 28 -40.604 9.673 24.404 94 HB3 SER 28 HB2 SER 28 -41.367 10.677 23.160 95 HG SER 28 HG SER 28 -40.030 8.462 22.784 96 H SER 29 H SER 29 -37.331 12.667 23.233 97 HA SER 29 HA SER 29 -37.984 13.055 20.416 98 HB2 SER 29 HB1 SER 29 -37.173 15.548 20.839 99 HB3 SER 29 HB2 SER 29 -38.872 15.087 21.041 100 HG SER 29 HG SER 29 -38.530 14.920 23.262 101 H ALA 30 H ALA 30 -36.118 14.145 19.258 102 HA ALA 30 HA ALA 30 -33.538 14.199 20.406 103 HB1 ALA 30 HB1 ALA 30 -34.012 11.720 20.388 104 HB2 ALA 30 HB2 ALA 30 -33.971 11.812 18.627 105 HB3 ALA 30 HB3 ALA 30 -32.537 12.228 19.565 106 H ASP 31 H ASP 31 -31.822 14.464 18.736 107 HA ASP 31 HA ASP 31 -32.622 14.975 16.025 108 HB2 ASP 31 HB1 ASP 31 -31.721 17.431 16.265 109 HB3 ASP 31 HB2 ASP 31 -33.406 17.059 16.648 110 HD2 ASP 31 HD ASP 31 -30.992 17.813 19.713 111 H LEU 32 H LEU 32 -30.868 13.233 16.315 112 HA LEU 32 HA LEU 32 -28.205 14.488 16.305 113 HB2 LEU 32 HB1 LEU 32 -29.202 12.188 17.621 114 HB3 LEU 32 HB2 LEU 32 -28.080 11.633 16.368 115 HG LEU 32 HG LEU 32 -27.410 13.625 18.533 116 HD11 LEU 32 HD11 LEU 32 -27.646 11.584 19.640 117 HD12 LEU 32 HD12 LEU 32 -25.923 11.681 19.277 118 HD13 LEU 32 HD13 LEU 32 -26.977 10.668 18.289 119 HD21 LEU 32 HD21 LEU 32 -26.183 13.797 16.331 120 HD22 LEU 32 HD22 LEU 32 -25.542 12.187 16.663 121 HD23 LEU 32 HD23 LEU 32 -25.180 13.525 17.756 122 H HIS 33 H HIS 33 -26.952 14.373 14.529 123 HA HIS 33 HA HIS 33 -27.329 12.414 12.477 124 HB2 HIS 33 HB1 HIS 33 -29.201 13.930 11.961 125 HB3 HIS 33 HB2 HIS 33 -28.070 15.281 11.850 126 HD1 HIS 33 HD1 HIS 33 -28.427 15.795 9.394 127 HD2 HIS 33 HD2 HIS 33 -27.327 11.850 10.093 128 HE1 HIS 33 HE1 HIS 33 -27.924 14.825 7.129 129 HE2 HIS 33 HE2 HIS 33 -27.251 12.415 7.555 130 H GLY 34 H GLY 34 -25.544 12.222 11.193 131 HA2 GLY 34 HA2 GLY 34 -23.574 14.381 11.160 132 HA3 GLY 34 HA3 GLY 34 -23.073 12.859 11.880 133 HA1 GLY 34 HA1 GLY 34 -24.206 14.123 10.600 134 H ALA 35 H ALA 35 -23.110 14.630 9.081 135 HA ALA 35 HA ALA 35 -22.090 12.425 7.545 136 HB1 ALA 35 HB1 ALA 35 -24.834 12.895 7.376 137 HB2 ALA 35 HB2 ALA 35 -24.149 13.608 5.915 138 HB3 ALA 35 HB3 ALA 35 -23.850 11.911 6.293 139 H ARG 36 H ARG 36 -21.665 13.230 5.192 140 HA ARG 36 HA ARG 36 -21.389 16.010 4.731 141 HB2 ARG 36 HB1 ARG 36 -19.499 15.126 6.476 142 HB3 ARG 36 HB2 ARG 36 -18.674 14.879 4.930 143 HG2 ARG 36 HG1 ARG 36 -19.174 17.263 4.356 144 HG3 ARG 36 HG2 ARG 36 -19.773 17.461 6.012 145 HD2 ARG 36 HD1 ARG 36 -17.013 16.395 5.437 146 HD3 ARG 36 HD2 ARG 36 -17.350 18.128 5.543 147 HE ARG 36 HE ARG 36 -18.342 16.735 7.818 148 HH11 ARG 36 HH11 ARG 36 -15.443 18.012 6.374 149 HH12 ARG 36 HH12 ARG 36 -14.629 18.229 7.888 150 HH21 ARG 36 HH21 ARG 36 -17.281 17.015 9.817 151 HH22 ARG 36 HH22 ARG 36 -15.674 17.661 9.846 152 H LYS 37 H LYS 37 -19.499 13.062 4.038 153 HA LYS 37 HA LYS 37 -18.969 12.017 2.089 154 HB2 LYS 37 HB1 LYS 37 -21.586 12.251 1.965 155 HB3 LYS 37 HB2 LYS 37 -21.212 13.397 0.668 156 HG2 LYS 37 HG1 LYS 37 -19.897 11.622 -0.468 157 HG3 LYS 37 HG2 LYS 37 -20.441 10.489 0.782 158 HD2 LYS 37 HD1 LYS 37 -22.439 12.098 -0.784 159 HD3 LYS 37 HD2 LYS 37 -21.738 10.619 -1.462 160 HE2 LYS 37 HE1 LYS 37 -22.673 10.317 1.304 161 HE3 LYS 37 HE2 LYS 37 -23.949 10.733 0.150 162 HZ1 LYS 37 HZ1 LYS 37 -23.515 8.298 0.469 163 HZ2 LYS 37 HZ2 LYS 37 -22.034 8.521 -0.317 164 HZ3 LYS 37 HZ3 LYS 37 -23.481 8.831 -1.137 165 H GLY 38 H GLY 38 -17.592 14.364 2.627 166 HA2 GLY 38 HA2 GLY 38 -17.349 15.617 -0.037 167 HA3 GLY 38 HA3 GLY 38 -16.922 16.408 1.474 168 HA1 GLY 38 HA1 GLY 38 -17.137 14.775 0.128 169 H SER 39 H SER 39 -15.727 13.718 2.330 170 HA SER 39 HA SER 39 -13.132 14.184 1.043 171 HB2 SER 39 HB1 SER 39 -12.604 12.472 3.116 172 HB3 SER 39 HB2 SER 39 -12.532 14.240 3.225 173 HG SER 39 HG SER 39 -13.849 13.177 4.861 174 H GLN 40 H GLN 40 -11.984 12.560 0.062 175 HA GLN 40 HA GLN 40 -13.535 10.241 -0.752 176 HB2 GLN 40 HB1 GLN 40 -10.917 11.432 -1.660 177 HB3 GLN 40 HB2 GLN 40 -11.469 9.845 -2.220 178 HG2 GLN 40 HG1 GLN 40 -13.271 12.220 -2.472 179 HG3 GLN 40 HG2 GLN 40 -11.960 11.967 -3.631 180 HE21 GLN 40 HE21 GLN 40 -14.991 10.790 -2.438 181 HE22 GLN 40 HE22 GLN 40 -15.292 9.662 -3.712 182 H CYS 41 H CYS 41 -10.233 10.797 0.487 183 HA CYS 41 HA CYS 41 -10.467 8.331 2.048 184 HB2 CYS 41 HB1 CYS 41 -8.314 7.513 1.339 185 HB3 CYS 41 HB2 CYS 41 -9.317 7.779 -0.088 186 H LEU 42 H LEU 42 -9.336 8.326 3.963 187 HA LEU 42 HA LEU 42 -8.440 10.925 4.886 188 HB2 LEU 42 HB1 LEU 42 -9.936 9.244 6.156 189 HB3 LEU 42 HB2 LEU 42 -8.415 8.403 6.506 190 HG LEU 42 HG LEU 42 -7.949 11.058 7.233 191 HD11 LEU 42 HD11 LEU 42 -9.864 11.244 8.957 192 HD12 LEU 42 HD12 LEU 42 -10.748 10.198 7.846 193 HD13 LEU 42 HD13 LEU 42 -10.154 11.765 7.296 194 HD21 LEU 42 HD21 LEU 42 -8.741 8.753 9.007 195 HD22 LEU 42 HD22 LEU 42 -7.771 10.156 9.453 196 HD23 LEU 42 HD23 LEU 42 -7.138 8.975 8.306 197 H SER 43 H SER 43 -7.088 7.863 3.961 198 HA SER 43 HA SER 43 -4.436 8.962 3.968 199 HB2 SER 43 HB1 SER 43 -5.331 7.466 6.259 200 HB3 SER 43 HB2 SER 43 -4.063 6.558 5.416 201 HG SER 43 HG SER 43 -2.637 8.116 5.812 202 H ASP 44 H ASP 44 -2.816 7.252 3.248 203 HA ASP 44 HA ASP 44 -3.584 6.165 0.824 204 HB2 ASP 44 HB1 ASP 44 -1.484 4.813 0.959 205 HB3 ASP 44 HB2 ASP 44 -1.256 6.532 1.310 206 HD2 ASP 44 HD ASP 44 -0.611 3.916 4.195 207 H THR 45 H THR 45 -3.736 4.780 4.028 208 HA THR 45 HA THR 45 -4.041 2.083 3.410 209 HB THR 45 HB THR 45 -5.037 1.790 5.561 210 HG1 THR 45 HG1 THR 45 -6.082 3.396 6.631 211 HG21 THR 45 HG21 THR 45 -3.450 2.846 6.988 212 HG22 THR 45 HG22 THR 45 -3.220 4.178 5.855 213 HG23 THR 45 HG23 THR 45 -2.638 2.563 5.449 214 H ASP 46 H ASP 46 -6.315 4.730 3.204 215 HA ASP 46 HA ASP 46 -8.664 3.152 2.948 216 HB2 ASP 46 HB1 ASP 46 -8.007 5.918 3.035 217 HB3 ASP 46 HB2 ASP 46 -8.943 5.639 1.561 218 HD2 ASP 46 HD ASP 46 -11.590 4.319 3.694 219 H CYS 47 H CYS 47 -6.184 4.170 0.740 220 HA CYS 47 HA CYS 47 -7.688 3.640 -1.646 221 HB2 CYS 47 HB1 CYS 47 -5.639 5.203 -1.323 222 HB3 CYS 47 HB2 CYS 47 -4.686 3.730 -1.514 223 H ASN 48 H ASN 48 -8.147 1.700 -2.425 224 HA ASN 48 HA ASN 48 -7.240 -0.706 -1.326 225 HB2 ASN 48 HB1 ASN 48 -8.557 -0.056 -3.968 226 HB3 ASN 48 HB2 ASN 48 -8.180 -1.713 -3.480 227 HD21 ASN 48 HD21 ASN 48 -10.039 1.139 -2.656 228 HD22 ASN 48 HD22 ASN 48 -11.230 0.320 -1.709 229 H THR 49 H THR 49 -6.052 -2.435 -2.475 230 HA THR 49 HA THR 49 -4.128 -3.245 -3.382 231 HB THR 49 HB THR 49 -3.695 -1.170 -5.384 232 HG1 THR 49 HG1 THR 49 -5.662 -1.098 -6.252 233 HG21 THR 49 HG21 THR 49 -4.654 -3.926 -5.994 234 HG22 THR 49 HG22 THR 49 -3.074 -3.732 -5.234 235 HG23 THR 49 HG23 THR 49 -3.406 -2.966 -6.787 236 H ARG 50 H ARG 50 -1.828 -2.434 -4.224 237 HA ARG 50 HA ARG 50 -0.719 -0.961 -2.025 238 HB2 ARG 50 HB1 ARG 50 1.450 -1.340 -3.201 239 HB3 ARG 50 HB2 ARG 50 0.535 -2.820 -2.880 240 HG2 ARG 50 HG1 ARG 50 -0.207 -1.820 -5.453 241 HG3 ARG 50 HG2 ARG 50 1.558 -1.906 -5.340 242 HD2 ARG 50 HD1 ARG 50 1.451 -4.237 -4.667 243 HD3 ARG 50 HD2 ARG 50 -0.317 -4.165 -4.649 244 HE ARG 50 HE ARG 50 -0.320 -4.414 -6.924 245 HH11 ARG 50 HH11 ARG 50 2.880 -3.532 -5.876 246 HH12 ARG 50 HH12 ARG 50 3.602 -3.787 -7.430 247 HH21 ARG 50 HH21 ARG 50 0.618 -4.754 -8.976 248 HH22 ARG 50 HH22 ARG 50 2.313 -4.482 -9.193 249 H LYS 51 H LYS 51 -2.178 0.935 -2.741 250 HA LYS 51 HA LYS 51 -0.530 2.728 -4.391 251 HB2 LYS 51 HB1 LYS 51 -3.558 2.648 -4.392 252 HB3 LYS 51 HB2 LYS 51 -2.530 3.722 -5.356 253 HG2 LYS 51 HG1 LYS 51 -1.767 1.957 -6.722 254 HG3 LYS 51 HG2 LYS 51 -2.409 0.733 -5.612 255 HD2 LYS 51 HD1 LYS 51 -4.500 0.867 -6.453 256 HD3 LYS 51 HD2 LYS 51 -4.408 2.628 -6.637 257 HE2 LYS 51 HE1 LYS 51 -3.007 2.336 -8.652 258 HE3 LYS 51 HE2 LYS 51 -3.161 0.581 -8.472 259 HZ1 LYS 51 HZ1 LYS 51 -5.248 0.589 -9.269 260 HZ2 LYS 51 HZ2 LYS 51 -4.786 2.056 -9.974 261 HZ3 LYS 51 HZ3 LYS 51 -5.661 2.053 -8.527 262 H PHE 52 H PHE 52 -0.747 4.989 -3.887 263 HA PHE 52 HA PHE 52 -1.497 5.416 -1.078 264 HB2 PHE 52 HB1 PHE 52 -0.036 7.472 -1.284 265 HB3 PHE 52 HB2 PHE 52 0.803 5.924 -1.406 266 HD1 PHE 52 HD1 PHE 52 -0.731 8.544 -3.560 267 HD2 PHE 52 HD2 PHE 52 2.244 5.526 -3.164 268 HE1 PHE 52 HE1 PHE 52 0.233 9.216 -5.722 269 HE2 PHE 52 HE2 PHE 52 3.213 6.193 -5.324 270 HZ PHE 52 HZ PHE 52 2.209 8.040 -6.605 271 H CYS 53 H CYS 53 -2.084 7.826 -0.659 272 HA CYS 53 HA CYS 53 -4.233 8.501 -2.543 273 HB2 CYS 53 HB1 CYS 53 -3.886 8.715 0.390 274 HB3 CYS 53 HB2 CYS 53 -4.736 10.056 -0.380 275 H LEU 54 H LEU 54 -3.252 9.776 -4.053 276 HA LEU 54 HA LEU 54 -1.451 11.895 -3.299 277 HB2 LEU 54 HB1 LEU 54 -1.632 10.430 -5.515 278 HB3 LEU 54 HB2 LEU 54 -2.670 11.780 -6.004 279 HG LEU 54 HG LEU 54 -0.384 12.063 -6.812 280 HD11 LEU 54 HD11 LEU 54 -1.678 14.052 -6.357 281 HD12 LEU 54 HD12 LEU 54 0.009 14.326 -5.924 282 HD13 LEU 54 HD13 LEU 54 -1.184 14.020 -4.663 283 HD21 LEU 54 HD21 LEU 54 1.446 11.770 -5.564 284 HD22 LEU 54 HD22 LEU 54 0.374 10.971 -4.414 285 HD23 LEU 54 HD23 LEU 54 0.779 12.675 -4.207 286 H GLN 55 H GLN 55 -2.228 13.668 -2.365 287 HA GLN 55 HA GLN 55 -4.734 14.812 -3.411 288 HB2 GLN 55 HB1 GLN 55 -4.924 15.908 -1.137 289 HB3 GLN 55 HB2 GLN 55 -5.154 14.153 -1.172 290 HG2 GLN 55 HG1 GLN 55 -3.424 13.777 0.177 291 HG3 GLN 55 HG2 GLN 55 -2.387 14.902 -0.713 292 HE21 GLN 55 HE21 GLN 55 -4.682 14.564 1.881 293 HE22 GLN 55 HE22 GLN 55 -4.337 16.073 2.650 294 HA PRO 56 HA PRO 56 -1.483 17.850 -4.497 295 HB2 PRO 56 HB1 PRO 56 -2.759 18.727 -6.756 296 HB3 PRO 56 HB2 PRO 56 -1.735 17.293 -6.712 297 HG2 PRO 56 HG1 PRO 56 -4.720 17.503 -6.521 298 HG3 PRO 56 HG2 PRO 56 -3.717 16.367 -7.499 299 HD2 PRO 56 HD1 PRO 56 -4.893 15.642 -5.161 300 HD3 PRO 56 HD2 PRO 56 -3.329 14.996 -5.686 301 H ARG 57 H ARG 57 -1.486 20.094 -4.324 302 HA ARG 57 HA ARG 57 -3.746 21.206 -2.906 303 HB2 ARG 57 HB1 ARG 57 -0.976 21.641 -2.915 304 HB3 ARG 57 HB2 ARG 57 -1.688 23.128 -3.560 305 HG2 ARG 57 HG1 ARG 57 -3.298 22.915 -1.505 306 HG3 ARG 57 HG2 ARG 57 -1.991 21.906 -0.862 307 HD2 ARG 57 HD1 ARG 57 -0.699 24.150 -1.917 308 HD3 ARG 57 HD2 ARG 57 -2.143 24.781 -1.113 309 HE ARG 57 HE ARG 57 0.152 23.574 0.141 310 HH11 ARG 57 HH11 ARG 57 -3.219 24.379 0.469 311 HH12 ARG 57 HH12 ARG 57 -3.184 24.381 2.201 312 HH21 ARG 57 HH21 ARG 57 0.210 23.574 2.421 313 HH22 ARG 57 HH22 ARG 57 -1.232 23.924 3.311 314 H ASP 58 H ASP 58 -2.327 21.399 -6.080 315 HA ASP 58 HA ASP 58 -3.940 23.693 -6.839 316 HB2 ASP 58 HB1 ASP 58 -1.718 22.136 -8.052 317 HB3 ASP 58 HB2 ASP 58 -2.862 22.889 -9.171 318 HD2 ASP 58 HD ASP 58 -1.895 26.119 -8.111 319 H GLU 59 H GLU 59 -4.078 20.252 -6.977 320 HA GLU 59 HA GLU 59 -6.491 20.433 -8.659 321 HB2 GLU 59 HB1 GLU 59 -4.124 18.891 -9.053 322 HB3 GLU 59 HB2 GLU 59 -5.454 17.779 -8.696 323 HG2 GLU 59 HG1 GLU 59 -6.705 18.468 -10.548 324 HG3 GLU 59 HG2 GLU 59 -5.741 19.938 -10.750 325 HE2 GLU 59 HE GLU 59 -4.691 16.895 -12.821 326 H LYS 60 H LYS 60 -7.705 18.139 -8.348 327 HA LYS 60 HA LYS 60 -8.463 18.137 -5.545 328 HB2 LYS 60 HB1 LYS 60 -9.659 17.191 -8.098 329 HB3 LYS 60 HB2 LYS 60 -10.108 16.312 -6.627 330 HG2 LYS 60 HG1 LYS 60 -11.385 17.984 -5.847 331 HG3 LYS 60 HG2 LYS 60 -10.248 19.230 -6.392 332 HD2 LYS 60 HD1 LYS 60 -11.300 19.526 -8.369 333 HD3 LYS 60 HD2 LYS 60 -11.640 17.796 -8.550 334 HE2 LYS 60 HE1 LYS 60 -13.770 18.659 -8.269 335 HE3 LYS 60 HE2 LYS 60 -13.336 18.196 -6.617 336 HZ1 LYS 60 HZ1 LYS 60 -13.850 20.276 -6.079 337 HZ2 LYS 60 HZ2 LYS 60 -13.875 20.792 -7.689 338 HZ3 LYS 60 HZ3 LYS 60 -12.413 20.747 -6.839 339 HA PRO 61 HA PRO 61 -6.493 14.410 -4.327 340 HB2 PRO 61 HB1 PRO 61 -8.391 13.223 -2.750 341 HB3 PRO 61 HB2 PRO 61 -7.492 14.662 -2.274 342 HG2 PRO 61 HG1 PRO 61 -10.231 14.441 -3.476 343 HG3 PRO 61 HG2 PRO 61 -9.672 15.449 -2.089 344 HD2 PRO 61 HD1 PRO 61 -10.051 16.466 -4.578 345 HD3 PRO 61 HD2 PRO 61 -8.788 17.055 -3.485 346 H PHE 62 H PHE 62 -6.150 12.400 -5.104 347 HA PHE 62 HA PHE 62 -8.295 10.733 -6.047 348 HB2 PHE 62 HB1 PHE 62 -7.701 10.616 -8.351 349 HB3 PHE 62 HB2 PHE 62 -7.857 12.330 -7.955 350 HD1 PHE 62 HD1 PHE 62 -5.581 13.443 -7.106 351 HD2 PHE 62 HD2 PHE 62 -5.873 10.016 -9.613 352 HE1 PHE 62 HE1 PHE 62 -3.310 13.871 -7.950 353 HE2 PHE 62 HE2 PHE 62 -3.603 10.438 -10.460 354 HZ PHE 62 HZ PHE 62 -2.318 12.368 -9.628 355 H CYS 63 H CYS 63 -7.639 8.585 -6.472 356 HA CYS 63 HA CYS 63 -5.290 7.799 -5.015 357 HB2 CYS 63 HB1 CYS 63 -7.661 6.477 -6.174 358 HB3 CYS 63 HB2 CYS 63 -6.194 5.498 -6.167 359 H ALA 64 H ALA 64 -3.323 7.631 -5.838 360 HA ALA 64 HA ALA 64 -3.041 7.176 -8.737 361 HB1 ALA 64 HB1 ALA 64 -1.478 8.770 -8.849 362 HB2 ALA 64 HB2 ALA 64 -2.088 9.292 -7.278 363 HB3 ALA 64 HB3 ALA 64 -0.687 8.225 -7.370 364 H THR 65 H THR 65 -1.418 5.763 -9.469 365 HA THR 65 HA THR 65 -1.039 3.450 -7.886 366 HB THR 65 HB THR 65 0.810 3.841 -10.158 367 HG1 THR 65 HG1 THR 65 -0.677 4.314 -11.592 368 HG21 THR 65 HG21 THR 65 -1.088 1.719 -9.194 369 HG22 THR 65 HG22 THR 65 0.670 1.653 -9.320 370 HG23 THR 65 HG23 THR 65 -0.321 1.624 -10.779 371 H CYS 66 H CYS 66 1.151 2.462 -7.510 372 HA CYS 66 HA CYS 66 2.649 4.055 -5.761 373 HB2 CYS 66 HB1 CYS 66 2.463 1.406 -6.175 374 HB3 CYS 66 HB2 CYS 66 3.984 1.717 -7.018 375 H ARG 67 H ARG 67 5.059 4.395 -5.963 376 HA ARG 67 HA ARG 67 5.658 5.454 -8.646 377 HB2 ARG 67 HB1 ARG 67 6.458 6.383 -5.891 378 HB3 ARG 67 HB2 ARG 67 7.309 6.922 -7.347 379 HG2 ARG 67 HG1 ARG 67 4.333 7.235 -7.010 380 HG3 ARG 67 HG2 ARG 67 5.499 8.449 -6.457 381 HD2 ARG 67 HD1 ARG 67 5.891 9.201 -8.539 382 HD3 ARG 67 HD2 ARG 67 5.973 7.561 -9.196 383 HE ARG 67 HE ARG 67 3.776 7.732 -9.819 384 HH11 ARG 67 HH11 ARG 67 4.522 10.261 -7.546 385 HH12 ARG 67 HH12 ARG 67 3.008 11.077 -7.758 386 HH21 ARG 67 HH21 ARG 67 1.780 8.798 -10.107 387 HH22 ARG 67 HH22 ARG 67 1.449 10.243 -9.214 388 H GLY 68 H GLY 68 7.651 5.064 -9.580 389 HA2 GLY 68 HA2 GLY 68 8.921 2.625 -8.879 390 HA3 GLY 68 HA3 GLY 68 9.475 3.766 -10.097 391 HA1 GLY 68 HA1 GLY 68 8.771 3.153 -8.187 392 H LEU 69 H LEU 69 11.624 3.176 -9.333 393 HA LEU 69 HA LEU 69 12.402 3.992 -6.678 394 HB2 LEU 69 HB1 LEU 69 14.012 3.058 -9.060 395 HB3 LEU 69 HB2 LEU 69 14.689 3.402 -7.459 396 HG LEU 69 HG LEU 69 12.762 1.198 -8.180 397 HD11 LEU 69 HD11 LEU 69 14.533 -0.286 -7.702 398 HD12 LEU 69 HD12 LEU 69 15.525 0.999 -7.013 399 HD13 LEU 69 HD13 LEU 69 15.212 0.962 -8.747 400 HD21 LEU 69 HD21 LEU 69 13.317 0.575 -5.708 401 HD22 LEU 69 HD22 LEU 69 12.034 1.732 -6.061 402 HD23 LEU 69 HD23 LEU 69 13.620 2.305 -5.544 403 H ARG 70 H ARG 70 13.395 4.999 -9.956 404 HA ARG 70 HA ARG 70 14.864 7.237 -9.214 405 HB2 ARG 70 HB1 ARG 70 13.435 6.394 -11.698 406 HB3 ARG 70 HB2 ARG 70 14.030 8.057 -11.592 407 HG2 ARG 70 HG1 ARG 70 16.075 7.406 -12.131 408 HG3 ARG 70 HG2 ARG 70 16.104 6.300 -10.747 409 HD2 ARG 70 HD1 ARG 70 15.627 4.479 -12.005 410 HD3 ARG 70 HD2 ARG 70 14.524 5.380 -13.051 411 HE ARG 70 HE ARG 70 16.985 6.315 -13.738 412 HH11 ARG 70 HH11 ARG 70 15.541 3.154 -13.538 413 HH12 ARG 70 HH12 ARG 70 16.513 2.487 -14.808 414 HH21 ARG 70 HH21 ARG 70 18.271 5.448 -15.412 415 HH22 ARG 70 HH22 ARG 70 18.065 3.792 -15.873 416 H ARG 71 H ARG 71 11.439 6.771 -9.349 417 HA ARG 71 HA ARG 71 10.537 9.393 -9.623 418 HB2 ARG 71 HB1 ARG 71 9.427 6.954 -8.266 419 HB3 ARG 71 HB2 ARG 71 8.584 8.505 -8.147 420 HG2 ARG 71 HG1 ARG 71 9.329 7.202 -10.763 421 HG3 ARG 71 HG2 ARG 71 7.761 7.005 -9.961 422 HD2 ARG 71 HD1 ARG 71 7.998 9.714 -9.946 423 HD3 ARG 71 HD2 ARG 71 8.854 9.302 -11.438 424 HE ARG 71 HE ARG 71 6.294 8.014 -11.172 425 HH11 ARG 71 HH11 ARG 71 7.980 10.864 -12.249 426 HH12 ARG 71 HH12 ARG 71 6.751 11.323 -13.380 427 HH21 ARG 71 HH21 ARG 71 4.669 8.608 -12.659 428 HH22 ARG 71 HH22 ARG 71 4.867 10.039 -13.612 429 H ARG 72 H ARG 72 10.320 11.099 -8.270 430 HA ARG 72 HA ARG 72 11.933 11.211 -5.940 431 HB2 ARG 72 HB1 ARG 72 9.841 13.107 -7.025 432 HB3 ARG 72 HB2 ARG 72 10.888 13.471 -5.644 433 HG2 ARG 72 HG1 ARG 72 12.326 12.593 -8.048 434 HG3 ARG 72 HG2 ARG 72 11.439 14.116 -8.223 435 HD2 ARG 72 HD1 ARG 72 12.590 14.534 -5.816 436 HD3 ARG 72 HD2 ARG 72 13.793 13.473 -6.561 437 HE ARG 72 HE ARG 72 12.984 15.628 -8.271 438 HH11 ARG 72 HH11 ARG 72 15.111 14.695 -5.677 439 HH12 ARG 72 HH12 ARG 72 16.289 15.914 -6.031 440 HH21 ARG 72 HH21 ARG 72 14.529 17.238 -8.746 441 HH22 ARG 72 HH22 ARG 72 15.957 17.361 -7.776 442 H CYS 73 H CYS 73 11.247 11.674 -3.768 443 HA CYS 73 HA CYS 73 8.498 11.145 -3.038 444 HB2 CYS 73 HB1 CYS 73 8.927 9.237 -1.643 445 HB3 CYS 73 HB2 CYS 73 9.517 8.876 -3.266 446 H GLN 74 H GLN 74 8.099 11.495 -0.742 447 HA GLN 74 HA GLN 74 10.141 13.239 0.470 448 HB2 GLN 74 HB1 GLN 74 7.132 13.390 0.773 449 HB3 GLN 74 HB2 GLN 74 8.311 14.477 1.524 450 HG2 GLN 74 HG1 GLN 74 8.890 15.473 -0.515 451 HG3 GLN 74 HG2 GLN 74 8.140 14.171 -1.450 452 HE21 GLN 74 HE21 GLN 74 7.563 16.781 -1.999 453 HE22 GLN 74 HE22 GLN 74 5.930 17.128 -1.554 454 H ARG 75 H ARG 75 8.012 10.549 0.902 455 HA ARG 75 HA ARG 75 9.179 10.090 3.551 456 HB2 ARG 75 HB1 ARG 75 6.235 10.069 2.873 457 HB3 ARG 75 HB2 ARG 75 6.895 9.260 4.302 458 HG2 ARG 75 HG1 ARG 75 6.524 11.186 5.362 459 HG3 ARG 75 HG2 ARG 75 7.970 11.764 4.516 460 HD2 ARG 75 HD1 ARG 75 6.121 12.182 2.593 461 HD3 ARG 75 HD2 ARG 75 5.121 12.376 4.039 462 HE ARG 75 HE ARG 75 7.532 13.862 4.258 463 HH11 ARG 75 HH11 ARG 75 4.396 13.869 2.748 464 HH12 ARG 75 HH12 ARG 75 4.317 15.596 2.621 465 HH21 ARG 75 HH21 ARG 75 7.440 16.136 4.097 466 HH22 ARG 75 HH22 ARG 75 6.049 16.884 3.387 467 H ASP 76 H ASP 76 8.812 7.823 4.299 468 HA ASP 76 HA ASP 76 9.407 6.012 2.139 469 HB2 ASP 76 HB1 ASP 76 9.976 6.138 4.900 470 HB3 ASP 76 HB2 ASP 76 9.002 4.681 4.663 471 HD2 ASP 76 HD ASP 76 11.516 3.104 2.864 472 H ALA 77 H ALA 77 6.646 6.862 4.028 473 HA ALA 77 HA ALA 77 5.141 4.492 3.745 474 HB1 ALA 77 HB1 ALA 77 4.638 6.316 5.354 475 HB2 ALA 77 HB2 ALA 77 4.074 7.299 4.002 476 HB3 ALA 77 HB3 ALA 77 3.241 5.799 4.410 477 H MET 78 H MET 78 5.295 7.451 1.790 478 HA MET 78 HA MET 78 3.320 6.637 -0.077 479 HB2 MET 78 HB1 MET 78 3.913 8.545 -1.341 480 HB3 MET 78 HB2 MET 78 4.130 9.003 0.355 481 HG2 MET 78 HG1 MET 78 6.117 9.783 -0.313 482 HG3 MET 78 HG2 MET 78 6.606 8.087 -0.250 483 HE1 MET 78 HE1 MET 78 5.926 11.024 -3.327 484 HE2 MET 78 HE2 MET 78 4.681 9.894 -3.859 485 HE3 MET 78 HE3 MET 78 4.660 10.516 -2.209 486 H CYS 79 H CYS 79 6.705 5.994 0.264 487 HA CYS 79 HA CYS 79 7.064 5.101 -2.457 488 HB2 CYS 79 HB1 CYS 79 8.867 6.131 -0.988 489 HB3 CYS 79 HB2 CYS 79 8.906 4.596 -0.121 490 H CYS 80 H CYS 80 7.057 3.040 -3.209 491 HA CYS 80 HA CYS 80 5.489 1.100 -2.029 492 HB2 CYS 80 HB1 CYS 80 7.367 1.231 -4.282 493 HB3 CYS 80 HB2 CYS 80 7.216 -0.383 -3.583 494 HA PRO 81 HA PRO 81 7.862 -0.986 1.014 495 HB2 PRO 81 HB1 PRO 81 7.160 -3.604 0.625 496 HB3 PRO 81 HB2 PRO 81 6.072 -2.397 1.308 497 HG2 PRO 81 HG1 PRO 81 6.275 -3.392 -1.515 498 HG3 PRO 81 HG2 PRO 81 4.808 -3.122 -0.503 499 HD2 PRO 81 HD1 PRO 81 5.614 -1.367 -2.412 500 HD3 PRO 81 HD2 PRO 81 4.822 -0.854 -0.912 501 H GLY 82 H GLY 82 9.718 -2.249 1.394 502 HA2 GLY 82 HA2 GLY 82 11.526 -3.627 0.793 503 HA3 GLY 82 HA3 GLY 82 10.996 -3.554 -0.880 504 HA1 GLY 82 HA1 GLY 82 11.402 -2.795 1.063 505 H THR 83 H THR 83 10.771 -0.503 -0.367 506 HA THR 83 HA THR 83 13.633 0.051 -0.807 507 HB THR 83 HB THR 83 12.829 2.059 -2.113 508 HG1 THR 83 HG1 THR 83 10.356 0.646 -1.961 509 HG21 THR 83 HG21 THR 83 12.730 -0.760 -2.896 510 HG22 THR 83 HG22 THR 83 13.519 0.608 -3.683 511 HG23 THR 83 HG23 THR 83 11.802 0.305 -3.950 512 H LEU 84 H LEU 84 14.095 2.492 -0.438 513 HA LEU 84 HA LEU 84 12.644 3.483 1.911 514 HB2 LEU 84 HB1 LEU 84 14.883 2.174 2.345 515 HB3 LEU 84 HB2 LEU 84 15.617 3.705 1.835 516 HG LEU 84 HG LEU 84 14.231 4.811 3.655 517 HD11 LEU 84 HD11 LEU 84 12.941 2.446 3.805 518 HD12 LEU 84 HD12 LEU 84 13.008 3.620 5.119 519 HD13 LEU 84 HD13 LEU 84 14.121 2.252 5.102 520 HD21 LEU 84 HD21 LEU 84 16.356 2.811 4.417 521 HD22 LEU 84 HD22 LEU 84 15.821 4.163 5.416 522 HD23 LEU 84 HD23 LEU 84 16.621 4.468 3.873 523 H CYS 85 H CYS 85 12.300 5.630 1.913 524 HA CYS 85 HA CYS 85 12.896 7.140 -0.424 525 HB2 CYS 85 HB1 CYS 85 10.876 7.361 1.147 526 HB3 CYS 85 HB2 CYS 85 11.947 8.300 2.190 527 H VAL 86 H VAL 86 14.894 7.815 -0.854 528 HA VAL 86 HA VAL 86 16.336 9.293 1.229 529 HB VAL 86 HB VAL 86 17.599 7.210 -0.558 530 HG11 VAL 86 HG11 VAL 86 18.846 9.010 1.517 531 HG12 VAL 86 HG12 VAL 86 19.673 7.728 0.631 532 HG13 VAL 86 HG13 VAL 86 19.056 9.140 -0.229 533 HG21 VAL 86 HG21 VAL 86 17.053 5.785 1.062 534 HG22 VAL 86 HG22 VAL 86 18.165 6.661 2.114 535 HG23 VAL 86 HG23 VAL 86 16.453 7.085 2.091 536 H ASN 87 H ASN 87 17.499 11.039 0.515 537 HA ASN 87 HA ASN 87 18.068 12.773 -0.842 538 HB2 ASN 87 HB1 ASN 87 19.402 10.798 -1.847 539 HB3 ASN 87 HB2 ASN 87 18.197 10.834 -3.140 540 HD21 ASN 87 HD21 ASN 87 18.555 12.128 -4.796 541 HD22 ASN 87 HD22 ASN 87 19.677 13.441 -4.829 542 H ASP 88 H ASP 88 15.262 12.063 -0.552 543 HA ASP 88 HA ASP 88 13.241 12.764 -1.328 544 HB2 ASP 88 HB1 ASP 88 15.023 14.720 -2.114 545 HB3 ASP 88 HB2 ASP 88 14.211 14.296 -3.627 546 HD2 ASP 88 HD ASP 88 11.175 15.597 -2.535 547 H VAL 89 H VAL 89 14.695 10.423 -2.480 548 HA VAL 89 HA VAL 89 12.868 9.978 -4.702 549 HB VAL 89 HB VAL 89 14.817 10.803 -5.868 550 HG11 VAL 89 HG11 VAL 89 16.531 10.476 -4.231 551 HG12 VAL 89 HG12 VAL 89 16.329 8.724 -4.294 552 HG13 VAL 89 HG13 VAL 89 16.989 9.588 -5.683 553 HG21 VAL 89 HG21 VAL 89 13.605 8.976 -6.916 554 HG22 VAL 89 HG22 VAL 89 15.328 8.853 -7.275 555 HG23 VAL 89 HG23 VAL 89 14.602 7.799 -6.061 556 H CYS 90 H CYS 90 12.330 7.836 -5.014 557 HA CYS 90 HA CYS 90 12.558 6.106 -2.819 558 HB2 CYS 90 HB1 CYS 90 11.579 5.849 -5.631 559 HB3 CYS 90 HB2 CYS 90 11.829 4.373 -4.696 560 H THR 91 H THR 91 14.466 5.345 -2.151 561 HA THR 91 HA THR 91 16.273 4.166 -4.160 562 HB THR 91 HB THR 91 16.975 5.330 -1.459 563 HG1 THR 91 HG1 THR 91 17.399 6.213 -4.131 564 HG21 THR 91 HG21 THR 91 19.299 4.912 -2.089 565 HG22 THR 91 HG22 THR 91 18.764 4.146 -3.584 566 HG23 THR 91 HG23 THR 91 18.385 3.406 -2.028 567 H THR 92 H THR 92 16.317 2.026 -4.138 568 HA THR 92 HA THR 92 15.044 0.366 -2.340 569 HB THR 92 HB THR 92 17.493 -0.781 -3.521 570 HG1 THR 92 HG1 THR 92 16.665 -0.580 -5.650 571 HG21 THR 92 HG21 THR 92 14.642 -1.470 -3.134 572 HG22 THR 92 HG22 THR 92 16.086 -2.467 -2.945 573 HG23 THR 92 HG23 THR 92 15.430 -2.158 -4.553 574 H MET 93 H MET 93 15.793 -1.032 -0.680 575 HA MET 93 HA MET 93 17.525 0.201 1.181 576 HB2 MET 93 HB1 MET 93 15.654 -1.891 1.196 577 HB3 MET 93 HB2 MET 93 17.189 -2.624 1.686 578 HG2 MET 93 HG1 MET 93 17.392 -1.275 3.576 579 HG3 MET 93 HG2 MET 93 16.231 -0.095 2.959 580 HE1 MET 93 HE1 MET 93 13.393 -0.804 5.056 581 HE2 MET 93 HE2 MET 93 14.562 0.302 4.334 582 HE3 MET 93 HE3 MET 93 13.365 -0.500 3.318 583 H GLU 94 H GLU 94 18.035 -2.110 -1.353 584 HA GLU 94 HA GLU 94 20.438 -3.263 -0.453 585 HB2 GLU 94 HB1 GLU 94 19.354 -2.815 -3.239 586 HB3 GLU 94 HB2 GLU 94 20.821 -3.746 -2.898 587 HG2 GLU 94 HG1 GLU 94 19.523 -5.314 -1.537 588 HG3 GLU 94 HG2 GLU 94 18.057 -4.390 -1.896 589 HE2 GLU 94 HE GLU 94 19.620 -6.488 -4.894 590 H ASP 95 H ASP 95 19.734 -0.245 -2.063 591 HA ASP 95 HA ASP 95 22.567 0.319 -2.473 592 HB2 ASP 95 HB1 ASP 95 20.027 1.751 -3.259 593 HB3 ASP 95 HB2 ASP 95 21.624 2.489 -3.451 594 HD2 ASP 95 HD ASP 95 21.311 -0.804 -5.609 595 H ALA 96 H ALA 96 19.917 1.187 -0.386 596 HA ALA 96 HA ALA 96 21.066 3.522 0.740 597 HB1 ALA 96 HB1 ALA 96 19.264 1.930 2.442 598 HB2 ALA 96 HB2 ALA 96 19.192 3.634 1.989 599 HB3 ALA 96 HB3 ALA 96 18.619 2.398 0.868 600 H THR 97 H THR 97 21.440 3.557 3.232 601 HA THR 97 HA THR 97 22.775 3.013 4.994 602 HB THR 97 HB THR 97 22.847 0.146 4.104 603 HG1 THR 97 HG1 THR 97 20.676 1.347 5.503 604 HG21 THR 97 HG21 THR 97 22.612 -0.183 6.588 605 HG22 THR 97 HG22 THR 97 22.786 1.563 6.765 606 HG23 THR 97 HG23 THR 97 24.102 0.610 6.080 607 H GLU 98 H GLU 98 24.536 4.168 4.122 608 HA GLU 98 HA GLU 98 26.758 2.445 3.315 609 HB2 GLU 98 HB1 GLU 98 27.455 3.988 1.554 610 HB3 GLU 98 HB2 GLU 98 25.835 3.349 1.232 611 HG2 GLU 98 HG1 GLU 98 25.222 5.615 2.593 612 HG3 GLU 98 HG2 GLU 98 26.706 6.098 1.761 613 HE2 GLU 98 HE GLU 98 23.799 4.948 -0.691 614 H ASN 99 H ASN 99 28.681 3.003 4.194 615 HA ASN 99 HA ASN 99 28.718 5.436 5.852 616 HB2 ASN 99 HB1 ASN 99 29.092 2.848 6.657 617 HB3 ASN 99 HB2 ASN 99 30.757 3.377 6.383 618 HD21 ASN 99 HD21 ASN 99 31.672 4.891 7.707 619 HD22 ASN 99 HD22 ASN 99 30.926 5.453 9.160 620 H LEU 100 H LEU 100 30.059 7.009 5.279 621 HA LEU 100 HA LEU 100 31.753 6.807 3.024 622 HB2 LEU 100 HB1 LEU 100 30.770 8.850 4.747 623 HB3 LEU 100 HB2 LEU 100 32.532 9.011 4.638 624 HG LEU 100 HG LEU 100 31.132 8.671 2.066 625 HD11 LEU 100 HD11 LEU 100 30.066 10.705 1.969 626 HD12 LEU 100 HD12 LEU 100 30.996 11.381 3.305 627 HD13 LEU 100 HD13 LEU 100 29.715 10.211 3.626 628 HD21 LEU 100 HD21 LEU 100 33.307 9.168 1.680 629 HD22 LEU 100 HD22 LEU 100 33.490 10.054 3.194 630 HD23 LEU 100 HD23 LEU 100 32.705 10.821 1.812 631 H TYR 101 H TYR 101 34.109 7.851 3.380 632 HA TYR 101 HA TYR 101 35.474 5.970 5.173 633 HB2 TYR 101 HB1 TYR 101 36.587 7.576 2.857 634 HB3 TYR 101 HB2 TYR 101 37.459 6.356 3.789 635 HD1 TYR 101 HD1 TYR 101 35.345 6.924 0.967 636 HD2 TYR 101 HD2 TYR 101 36.574 3.953 3.753 637 HE1 TYR 101 HE1 TYR 101 34.574 5.171 -0.574 638 HE2 TYR 101 HE2 TYR 101 35.807 2.189 2.218 639 HH TYR 101 HH TYR 101 35.461 2.049 -0.397 640 H PHE 102 H PHE 102 37.628 6.825 6.032 641 HA PHE 102 HA PHE 102 37.371 9.634 6.866 642 HB2 PHE 102 HB1 PHE 102 37.954 9.102 9.129 643 HB3 PHE 102 HB2 PHE 102 36.611 8.056 8.663 644 HD1 PHE 102 HD1 PHE 102 36.992 5.669 8.164 645 HD2 PHE 102 HD2 PHE 102 40.077 8.172 9.690 646 HE1 PHE 102 HE1 PHE 102 38.286 3.677 8.804 647 HE2 PHE 102 HE2 PHE 102 41.377 6.185 10.331 648 HZ PHE 102 HZ PHE 102 40.482 3.933 9.889 649 H GLN 103 H GLN 103 39.416 10.551 7.703 650 HA GLN 103 HA GLN 103 41.842 9.191 6.831 651 HB2 GLN 103 HB1 GLN 103 40.636 11.540 5.507 652 HB3 GLN 103 HB2 GLN 103 42.365 11.674 5.859 653 HG2 GLN 103 HG1 GLN 103 42.258 9.184 4.782 654 HG3 GLN 103 HG2 GLN 103 40.965 10.004 3.898 655 HE21 GLN 103 HE21 GLN 103 41.492 11.242 2.229 656 HE22 GLN 103 HE22 GLN 103 43.092 11.755 1.825 657 H SER 104 H SER 104 43.624 9.722 8.007 658 HA SER 104 HA SER 104 43.739 12.105 9.613 659 HB2 SER 104 HB1 SER 104 43.871 10.978 11.789 660 HB3 SER 104 HB2 SER 104 42.303 10.680 11.020 661 HG SER 104 HG SER 104 43.961 8.877 11.906 662 H LEU 105 H LEU 105 45.758 12.048 11.040 663 HA LEU 105 HA LEU 105 47.899 10.701 9.535 664 HB2 LEU 105 HB1 LEU 105 47.586 13.360 9.985 665 HB3 LEU 105 HB2 LEU 105 48.603 12.899 11.359 666 HG LEU 105 HG LEU 105 49.557 11.890 8.777 667 HD11 LEU 105 HD11 LEU 105 50.480 14.126 8.143 668 HD12 LEU 105 HD12 LEU 105 49.367 14.849 9.303 669 HD13 LEU 105 HD13 LEU 105 48.739 13.956 7.918 670 HD21 LEU 105 HD21 LEU 105 50.893 11.665 10.753 671 HD22 LEU 105 HD22 LEU 105 50.777 13.393 11.088 672 HD23 LEU 105 HD23 LEU 105 51.680 12.826 9.682 673 H GLU 106 H GLU 106 49.550 9.638 10.621 674 HA GLU 106 HA GLU 106 48.847 8.734 13.299 675 HB2 GLU 106 HB1 GLU 106 50.602 7.744 11.102 676 HB3 GLU 106 HB2 GLU 106 51.016 7.286 12.761 677 HG2 GLU 106 HG1 GLU 106 48.203 6.919 11.857 678 HG3 GLU 106 HG2 GLU 106 49.440 5.798 11.271 679 HE2 GLU 106 HE GLU 106 49.840 4.371 14.423 680 H HIS 107 H HIS 107 50.834 8.294 14.763 681 HA HIS 107 HA HIS 107 52.530 10.703 14.767 682 HB2 HIS 107 HB1 HIS 107 52.533 10.552 17.243 683 HB3 HIS 107 HB2 HIS 107 50.925 10.847 16.573 684 HD1 HIS 107 HD1 HIS 107 52.952 8.127 18.203 685 HD2 HIS 107 HD2 HIS 107 49.025 8.911 17.097 686 HE1 HIS 107 HE1 HIS 107 51.580 6.301 19.256 687 HE2 HIS 107 HE2 HIS 107 49.179 6.780 18.580 688 H HIS 108 H HIS 108 54.675 10.420 14.910 689 HA HIS 108 HA HIS 108 55.656 7.688 15.421 690 HB2 HIS 108 HB1 HIS 108 56.120 9.497 13.224 691 HB3 HIS 108 HB2 HIS 108 57.644 9.135 14.038 692 HD1 HIS 108 HD1 HIS 108 54.712 7.215 12.562 693 HD2 HIS 108 HD2 HIS 108 58.786 6.803 13.267 694 HE1 HIS 108 HE1 HIS 108 55.360 5.028 11.503 695 HE2 HIS 108 HE2 HIS 108 57.850 4.776 11.932 696 H HIS 109 H HIS 109 57.541 7.429 16.641 697 HA HIS 109 HA HIS 109 58.887 9.715 17.767 698 HB2 HIS 109 HB1 HIS 109 56.957 8.060 19.356 699 HB3 HIS 109 HB2 HIS 109 58.393 8.717 20.150 700 HD1 HIS 109 HD1 HIS 109 58.617 11.369 20.169 701 HD2 HIS 109 HD2 HIS 109 54.920 9.882 18.993 702 HE1 HIS 109 HE1 HIS 109 57.029 13.313 20.326 703 HE2 HIS 109 HE2 HIS 109 54.769 12.404 19.607 704 H HIS 110 H HIS 110 60.633 8.658 16.691 705 HA HIS 110 HA HIS 110 61.587 6.229 18.060 706 HB2 HIS 110 HB1 HIS 110 61.258 6.764 15.307 707 HB3 HIS 110 HB2 HIS 110 63.000 6.765 15.607 708 HD1 HIS 110 HD1 HIS 110 60.022 4.503 16.299 709 HD2 HIS 110 HD2 HIS 110 64.118 4.299 15.641 710 HE1 HIS 110 HE1 HIS 110 60.567 2.050 16.205 711 HE2 HIS 110 HE2 HIS 110 63.069 1.923 15.802 712 H HIS 111 H HIS 111 62.995 6.808 19.587 713 HA HIS 111 HA HIS 111 64.783 9.071 19.142 714 HB2 HIS 111 HB1 HIS 111 65.341 8.874 21.506 715 HB3 HIS 111 HB2 HIS 111 63.589 8.924 21.291 716 HD1 HIS 111 HD1 HIS 111 62.248 6.763 21.799 717 HD2 HIS 111 HD2 HIS 111 66.324 6.464 22.549 718 HE1 HIS 111 HE1 HIS 111 62.530 4.663 23.152 719 HE2 HIS 111 HE2 HIS 111 65.021 4.478 23.611 720 H HIS 112 H HIS 112 64.844 5.588 19.518 721 HA HIS 112 HA HIS 112 67.770 5.603 19.236 722 HB2 HIS 112 HB1 HIS 112 66.651 4.349 21.149 723 HB3 HIS 112 HB2 HIS 112 66.043 3.226 19.929 724 HD1 HIS 112 HD1 HIS 112 69.405 4.553 21.111 725 HD2 HIS 112 HD2 HIS 112 67.723 1.175 19.371 726 HE1 HIS 112 HE1 HIS 112 71.266 2.866 20.983 727 HE2 HIS 112 HE2 HIS 112 70.238 0.802 19.919 Start of MODEL 19 1 H1 MET 18 H MET 18 -27.399 -41.878 29.898 2 HA MET 18 HA MET 18 -25.098 -41.254 30.236 3 HB2 MET 18 HB1 MET 18 -24.554 -38.783 29.986 4 HB3 MET 18 HB2 MET 18 -24.847 -39.682 28.490 5 HG2 MET 18 HG1 MET 18 -27.321 -38.581 29.453 6 HG3 MET 18 HG2 MET 18 -26.089 -37.321 29.354 7 HE1 MET 18 HE1 MET 18 -26.942 -36.120 26.103 8 HE2 MET 18 HE2 MET 18 -26.555 -35.903 27.810 9 HE3 MET 18 HE3 MET 18 -25.279 -36.304 26.660 10 H LEU 19 H LEU 19 -24.188 -39.981 32.059 11 HA LEU 19 HA LEU 19 -26.289 -39.358 34.029 12 HB2 LEU 19 HB1 LEU 19 -24.632 -40.005 35.759 13 HB3 LEU 19 HB2 LEU 19 -25.108 -41.329 34.683 14 HG LEU 19 HG LEU 19 -22.676 -39.908 33.857 15 HD11 LEU 19 HD11 LEU 19 -21.994 -39.763 36.043 16 HD12 LEU 19 HD12 LEU 19 -21.422 -41.376 35.621 17 HD13 LEU 19 HD13 LEU 19 -22.915 -41.183 36.541 18 HD21 LEU 19 HD21 LEU 19 -23.505 -41.939 32.769 19 HD22 LEU 19 HD22 LEU 19 -23.340 -42.819 34.289 20 HD23 LEU 19 HD23 LEU 19 -21.908 -42.186 33.475 21 H VAL 20 H VAL 20 -23.245 -38.372 32.619 22 HA VAL 20 HA VAL 20 -22.710 -36.222 34.393 23 HB VAL 20 HB VAL 20 -21.099 -35.459 32.754 24 HG11 VAL 20 HG11 VAL 20 -21.055 -38.470 32.762 25 HG12 VAL 20 HG12 VAL 20 -19.679 -37.368 32.685 26 HG13 VAL 20 HG13 VAL 20 -20.636 -37.485 34.163 27 HG21 VAL 20 HG21 VAL 20 -21.028 -37.107 30.638 28 HG22 VAL 20 HG22 VAL 20 -22.767 -37.071 30.923 29 HG23 VAL 20 HG23 VAL 20 -21.890 -35.569 30.635 30 H LEU 21 H LEU 21 -23.235 -34.084 34.293 31 HA LEU 21 HA LEU 21 -25.606 -33.370 32.883 32 HB2 LEU 21 HB1 LEU 21 -23.684 -31.945 34.685 33 HB3 LEU 21 HB2 LEU 21 -24.881 -31.019 33.764 34 HG LEU 21 HG LEU 21 -26.286 -33.106 35.043 35 HD11 LEU 21 HD11 LEU 21 -25.750 -32.870 37.345 36 HD12 LEU 21 HD12 LEU 21 -24.584 -31.591 37.009 37 HD13 LEU 21 HD13 LEU 21 -24.248 -33.245 36.499 38 HD21 LEU 21 HD21 LEU 21 -27.378 -31.246 36.198 39 HD22 LEU 21 HD22 LEU 21 -27.167 -30.905 34.480 40 HD23 LEU 21 HD23 LEU 21 -26.094 -30.161 35.667 41 H ASP 22 H ASP 22 -25.763 -32.710 30.855 42 HA ASP 22 HA ASP 22 -23.466 -31.319 29.641 43 HB2 ASP 22 HB1 ASP 22 -24.949 -33.690 28.742 44 HB3 ASP 22 HB2 ASP 22 -24.784 -32.438 27.503 45 HD2 ASP 22 HD ASP 22 -21.251 -33.569 28.858 46 H PHE 23 H PHE 23 -23.926 -29.662 28.167 47 HA PHE 23 HA PHE 23 -26.604 -28.940 27.481 48 HB2 PHE 23 HB1 PHE 23 -26.852 -26.936 28.746 49 HB3 PHE 23 HB2 PHE 23 -26.428 -28.211 29.890 50 HD1 PHE 23 HD1 PHE 23 -25.410 -25.070 28.423 51 HD2 PHE 23 HD2 PHE 23 -24.143 -28.344 30.831 52 HE1 PHE 23 HE1 PHE 23 -23.516 -23.730 29.242 53 HE2 PHE 23 HE2 PHE 23 -22.248 -27.009 31.655 54 HZ PHE 23 HZ PHE 23 -21.933 -24.699 30.861 55 H ASN 24 H ASN 24 -26.702 -27.082 26.086 56 HA ASN 24 HA ASN 24 -24.222 -25.840 25.263 57 HB2 ASN 24 HB1 ASN 24 -25.067 -28.173 23.951 58 HB3 ASN 24 HB2 ASN 24 -25.521 -26.844 22.879 59 HD21 ASN 24 HD21 ASN 24 -23.925 -25.497 22.027 60 HD22 ASN 24 HD22 ASN 24 -22.262 -25.966 21.995 61 H ASN 25 H ASN 25 -24.522 -23.961 24.036 62 HA ASN 25 HA ASN 25 -27.076 -23.176 23.036 63 HB2 ASN 25 HB1 ASN 25 -27.643 -21.441 24.571 64 HB3 ASN 25 HB2 ASN 25 -27.356 -22.898 25.531 65 HD21 ASN 25 HD21 ASN 25 -26.532 -19.668 25.074 66 HD22 ASN 25 HD22 ASN 25 -25.204 -19.589 26.177 67 H ILE 26 H ILE 26 -27.042 -20.887 22.254 68 HA ILE 26 HA ILE 26 -24.322 -19.887 21.781 69 HB ILE 26 HB ILE 26 -25.030 -19.351 19.412 70 HG12 ILE 26 HG11 ILE 26 -27.015 -21.584 19.736 71 HG13 ILE 26 HG12 ILE 26 -27.498 -19.907 20.044 72 HG21 ILE 26 HG21 ILE 26 -23.442 -21.008 19.513 73 HG22 ILE 26 HG22 ILE 26 -24.471 -22.086 20.454 74 HG23 ILE 26 HG23 ILE 26 -24.770 -21.865 18.731 75 HD11 ILE 26 HD11 ILE 26 -27.880 -19.653 17.885 76 HD12 ILE 26 HD12 ILE 26 -26.159 -19.891 17.579 77 HD13 ILE 26 HD13 ILE 26 -27.258 -21.269 17.551 78 H ARG 27 H ARG 27 -24.610 -17.698 20.433 79 HA ARG 27 HA ARG 27 -26.909 -16.132 20.940 80 HB2 ARG 27 HB1 ARG 27 -25.617 -16.472 23.244 81 HB3 ARG 27 HB2 ARG 27 -24.648 -15.136 22.602 82 HG2 ARG 27 HG1 ARG 27 -26.569 -13.710 22.450 83 HG3 ARG 27 HG2 ARG 27 -27.643 -15.052 22.877 84 HD2 ARG 27 HD1 ARG 27 -27.476 -14.289 24.983 85 HD3 ARG 27 HD2 ARG 27 -25.880 -15.053 24.966 86 HE ARG 27 HE ARG 27 -25.672 -12.454 23.910 87 HH11 ARG 27 HH11 ARG 27 -26.231 -14.105 26.924 88 HH12 ARG 27 HH12 ARG 27 -25.562 -12.835 27.894 89 HH21 ARG 27 HH21 ARG 27 -24.789 -10.775 25.177 90 HH22 ARG 27 HH22 ARG 27 -24.743 -10.941 26.899 91 H SER 28 H SER 28 -26.913 -14.504 19.525 92 HA SER 28 HA SER 28 -24.622 -12.961 18.864 93 HB2 SER 28 HB1 SER 28 -24.053 -15.022 17.614 94 HB3 SER 28 HB2 SER 28 -25.586 -14.886 16.733 95 HG SER 28 HG SER 28 -24.717 -13.443 15.484 96 H SER 29 H SER 29 -25.152 -11.112 17.738 97 HA SER 29 HA SER 29 -27.719 -10.844 16.444 98 HB2 SER 29 HB1 SER 29 -28.111 -8.726 18.005 99 HB3 SER 29 HB2 SER 29 -28.686 -10.336 18.471 100 HG SER 29 HG SER 29 -26.137 -9.374 19.231 101 H ALA 30 H ALA 30 -28.024 -8.565 15.622 102 HA ALA 30 HA ALA 30 -25.688 -7.759 14.231 103 HB1 ALA 30 HB1 ALA 30 -28.393 -7.388 13.898 104 HB2 ALA 30 HB2 ALA 30 -27.814 -5.771 14.300 105 HB3 ALA 30 HB3 ALA 30 -27.119 -6.640 12.933 106 H ASP 31 H ASP 31 -25.030 -5.376 14.188 107 HA ASP 31 HA ASP 31 -24.818 -4.371 16.952 108 HB2 ASP 31 HB1 ASP 31 -22.749 -4.778 14.844 109 HB3 ASP 31 HB2 ASP 31 -22.597 -3.345 15.869 110 HD2 ASP 31 HD ASP 31 -22.569 -6.685 17.990 111 H LEU 32 H LEU 32 -23.886 -3.061 13.780 112 HA LEU 32 HA LEU 32 -25.984 -1.150 13.679 113 HB2 LEU 32 HB1 LEU 32 -24.773 -0.117 15.500 114 HB3 LEU 32 HB2 LEU 32 -23.267 -0.195 14.569 115 HG LEU 32 HG LEU 32 -25.470 1.331 13.328 116 HD11 LEU 32 HD11 LEU 32 -23.930 2.619 15.552 117 HD12 LEU 32 HD12 LEU 32 -25.481 1.833 15.849 118 HD13 LEU 32 HD13 LEU 32 -25.380 3.189 14.725 119 HD21 LEU 32 HD21 LEU 32 -22.546 1.929 13.758 120 HD22 LEU 32 HD22 LEU 32 -23.653 2.782 12.681 121 HD23 LEU 32 HD23 LEU 32 -23.213 1.106 12.349 122 H HIS 33 H HIS 33 -25.998 0.023 11.748 123 HA HIS 33 HA HIS 33 -23.829 -0.607 9.858 124 HB2 HIS 33 HB1 HIS 33 -26.806 -0.840 9.503 125 HB3 HIS 33 HB2 HIS 33 -25.762 -0.545 8.108 126 HD1 HIS 33 HD1 HIS 33 -25.309 -2.647 6.912 127 HD2 HIS 33 HD2 HIS 33 -25.494 -3.234 11.020 128 HE1 HIS 33 HE1 HIS 33 -24.854 -5.096 7.261 129 HE2 HIS 33 HE2 HIS 33 -24.966 -5.456 9.773 130 H GLY 34 H GLY 34 -22.962 1.110 8.886 131 HA2 GLY 34 HA2 GLY 34 -24.362 3.342 7.934 132 HA3 GLY 34 HA3 GLY 34 -23.738 3.739 9.528 133 HA1 GLY 34 HA1 GLY 34 -23.818 2.696 7.677 134 H ALA 35 H ALA 35 -22.576 5.400 8.253 135 HA ALA 35 HA ALA 35 -20.007 4.311 7.326 136 HB1 ALA 35 HB1 ALA 35 -19.979 6.197 5.631 137 HB2 ALA 35 HB2 ALA 35 -21.071 4.853 5.298 138 HB3 ALA 35 HB3 ALA 35 -21.706 6.367 5.942 139 H ARG 36 H ARG 36 -21.675 7.354 8.157 140 HA ARG 36 HA ARG 36 -21.031 9.157 9.385 141 HB2 ARG 36 HB1 ARG 36 -20.082 6.829 10.773 142 HB3 ARG 36 HB2 ARG 36 -18.922 8.150 10.981 143 HG2 ARG 36 HG1 ARG 36 -20.709 9.610 11.802 144 HG3 ARG 36 HG2 ARG 36 -21.866 8.282 11.601 145 HD2 ARG 36 HD1 ARG 36 -21.270 8.296 13.898 146 HD3 ARG 36 HD2 ARG 36 -20.419 6.931 13.161 147 HE ARG 36 HE ARG 36 -18.756 9.203 13.116 148 HH11 ARG 36 HH11 ARG 36 -20.108 6.883 15.331 149 HH12 ARG 36 HH12 ARG 36 -18.806 7.013 16.466 150 HH21 ARG 36 HH21 ARG 36 -17.036 9.382 14.603 151 HH22 ARG 36 HH22 ARG 36 -17.059 8.435 16.051 152 H LYS 37 H LYS 37 -18.926 10.388 10.161 153 HA LYS 37 HA LYS 37 -17.063 11.537 9.540 154 HB2 LYS 37 HB1 LYS 37 -16.515 8.751 8.825 155 HB3 LYS 37 HB2 LYS 37 -15.595 9.915 7.859 156 HG2 LYS 37 HG1 LYS 37 -14.123 9.792 9.548 157 HG3 LYS 37 HG2 LYS 37 -15.227 10.937 10.331 158 HD2 LYS 37 HD1 LYS 37 -15.210 9.420 12.005 159 HD3 LYS 37 HD2 LYS 37 -16.414 8.603 10.990 160 HE2 LYS 37 HE1 LYS 37 -13.488 8.059 10.591 161 HE3 LYS 37 HE2 LYS 37 -14.380 7.263 11.897 162 HZ1 LYS 37 HZ1 LYS 37 -15.923 6.375 10.274 163 HZ2 LYS 37 HZ2 LYS 37 -14.341 5.920 9.884 164 HZ3 LYS 37 HZ3 LYS 37 -15.104 7.157 9.018 165 H GLY 38 H GLY 38 -15.689 12.092 7.429 166 HA2 GLY 38 HA2 GLY 38 -17.253 11.982 4.993 167 HA3 GLY 38 HA3 GLY 38 -17.158 13.575 5.729 168 HA1 GLY 38 HA1 GLY 38 -16.525 11.592 5.302 169 H SER 39 H SER 39 -15.289 10.972 4.280 170 HA SER 39 HA SER 39 -13.395 12.918 3.260 171 HB2 SER 39 HB1 SER 39 -12.353 10.540 4.820 172 HB3 SER 39 HB2 SER 39 -11.429 11.903 4.165 173 HG SER 39 HG SER 39 -13.310 11.975 6.287 174 H GLN 40 H GLN 40 -11.773 11.821 1.785 175 HA GLN 40 HA GLN 40 -13.219 10.089 0.005 176 HB2 GLN 40 HB1 GLN 40 -11.306 12.002 -0.353 177 HB3 GLN 40 HB2 GLN 40 -10.353 10.518 -0.510 178 HG2 GLN 40 HG1 GLN 40 -11.093 11.224 -2.687 179 HG3 GLN 40 HG2 GLN 40 -11.909 9.721 -2.238 180 HE21 GLN 40 HE21 GLN 40 -13.630 10.043 -3.609 181 HE22 GLN 40 HE22 GLN 40 -14.833 11.251 -3.335 182 H CYS 41 H CYS 41 -10.085 9.811 1.688 183 HA CYS 41 HA CYS 41 -10.531 6.912 1.858 184 HB2 CYS 41 HB1 CYS 41 -8.233 6.443 1.283 185 HB3 CYS 41 HB2 CYS 41 -8.961 7.405 -0.005 186 H LEU 42 H LEU 42 -9.879 5.949 3.735 187 HA LEU 42 HA LEU 42 -9.446 7.656 5.989 188 HB2 LEU 42 HB1 LEU 42 -10.368 5.035 5.540 189 HB3 LEU 42 HB2 LEU 42 -8.919 4.887 6.550 190 HG LEU 42 HG LEU 42 -11.105 6.785 7.319 191 HD11 LEU 42 HD11 LEU 42 -11.698 4.668 8.836 192 HD12 LEU 42 HD12 LEU 42 -11.174 3.831 7.375 193 HD13 LEU 42 HD13 LEU 42 -12.492 4.999 7.296 194 HD21 LEU 42 HD21 LEU 42 -8.964 6.903 8.491 195 HD22 LEU 42 HD22 LEU 42 -9.084 5.190 8.894 196 HD23 LEU 42 HD23 LEU 42 -10.248 6.337 9.559 197 H SER 43 H SER 43 -7.437 5.672 3.943 198 HA SER 43 HA SER 43 -5.059 6.885 4.996 199 HB2 SER 43 HB1 SER 43 -3.957 4.926 5.826 200 HB3 SER 43 HB2 SER 43 -5.541 5.006 6.615 201 HG SER 43 HG SER 43 -5.309 2.930 5.908 202 H ASP 44 H ASP 44 -3.064 5.806 3.916 203 HA ASP 44 HA ASP 44 -3.447 5.950 1.117 204 HB2 ASP 44 HB1 ASP 44 -1.039 5.216 1.008 205 HB3 ASP 44 HB2 ASP 44 -1.341 6.643 2.008 206 HD2 ASP 44 HD ASP 44 -0.012 3.365 3.751 207 H THR 45 H THR 45 -3.400 3.319 3.381 208 HA THR 45 HA THR 45 -3.120 1.292 1.330 209 HB THR 45 HB THR 45 -3.296 -0.331 3.117 210 HG1 THR 45 HG1 THR 45 -3.712 0.394 5.265 211 HG21 THR 45 HG21 THR 45 -1.175 1.076 2.778 212 HG22 THR 45 HG22 THR 45 -1.326 0.175 4.286 213 HG23 THR 45 HG23 THR 45 -1.650 1.908 4.258 214 H ASP 46 H ASP 46 -5.562 3.261 2.082 215 HA ASP 46 HA ASP 46 -7.767 1.503 2.407 216 HB2 ASP 46 HB1 ASP 46 -7.834 3.900 3.021 217 HB3 ASP 46 HB2 ASP 46 -7.730 4.322 1.308 218 HD2 ASP 46 HD ASP 46 -11.221 3.448 2.780 219 H CYS 47 H CYS 47 -5.964 2.611 -0.338 220 HA CYS 47 HA CYS 47 -7.915 2.050 -2.328 221 HB2 CYS 47 HB1 CYS 47 -5.266 3.090 -2.226 222 HB3 CYS 47 HB2 CYS 47 -5.272 1.754 -3.378 223 H ASN 48 H ASN 48 -7.651 0.357 -4.003 224 HA ASN 48 HA ASN 48 -7.531 -2.216 -2.787 225 HB2 ASN 48 HB1 ASN 48 -8.902 -1.314 -4.868 226 HB3 ASN 48 HB2 ASN 48 -7.490 -1.899 -5.758 227 HD21 ASN 48 HD21 ASN 48 -6.768 -4.161 -5.020 228 HD22 ASN 48 HD22 ASN 48 -8.032 -5.329 -4.873 229 H THR 49 H THR 49 -5.613 -0.771 -5.426 230 HA THR 49 HA THR 49 -3.608 -2.836 -5.201 231 HB THR 49 HB THR 49 -2.906 -0.464 -6.783 232 HG1 THR 49 HG1 THR 49 -4.595 -0.488 -8.116 233 HG21 THR 49 HG21 THR 49 -3.275 -3.001 -8.160 234 HG22 THR 49 HG22 THR 49 -2.260 -3.151 -6.726 235 HG23 THR 49 HG23 THR 49 -1.829 -2.006 -7.996 236 H ARG 50 H ARG 50 -1.222 -1.869 -5.380 237 HA ARG 50 HA ARG 50 -0.723 -0.676 -2.819 238 HB2 ARG 50 HB1 ARG 50 1.047 -1.588 -5.084 239 HB3 ARG 50 HB2 ARG 50 1.700 -0.772 -3.655 240 HG2 ARG 50 HG1 ARG 50 1.503 -2.588 -2.357 241 HG3 ARG 50 HG2 ARG 50 -0.073 -3.018 -3.043 242 HD2 ARG 50 HD1 ARG 50 1.165 -3.789 -5.117 243 HD3 ARG 50 HD2 ARG 50 2.653 -3.598 -4.178 244 HE ARG 50 HE ARG 50 0.797 -5.208 -2.770 245 HH11 ARG 50 HH11 ARG 50 3.001 -5.269 -5.464 246 HH12 ARG 50 HH12 ARG 50 3.281 -6.976 -5.365 247 HH21 ARG 50 HH21 ARG 50 1.156 -7.457 -2.630 248 HH22 ARG 50 HH22 ARG 50 2.230 -8.220 -3.753 249 H LYS 51 H LYS 51 -1.945 1.322 -3.340 250 HA LYS 51 HA LYS 51 -0.156 3.298 -4.587 251 HB2 LYS 51 HB1 LYS 51 -3.174 3.391 -4.754 252 HB3 LYS 51 HB2 LYS 51 -2.015 4.442 -5.583 253 HG2 LYS 51 HG1 LYS 51 -1.168 2.284 -6.709 254 HG3 LYS 51 HG2 LYS 51 -2.700 1.586 -6.154 255 HD2 LYS 51 HD1 LYS 51 -2.748 4.201 -7.605 256 HD3 LYS 51 HD2 LYS 51 -2.508 2.706 -8.526 257 HE2 LYS 51 HE1 LYS 51 -4.572 1.792 -7.377 258 HE3 LYS 51 HE2 LYS 51 -4.842 3.431 -6.766 259 HZ1 LYS 51 HZ1 LYS 51 -6.106 3.305 -8.701 260 HZ2 LYS 51 HZ2 LYS 51 -4.902 2.491 -9.567 261 HZ3 LYS 51 HZ3 LYS 51 -4.713 4.130 -9.194 262 H PHE 52 H PHE 52 -0.501 5.513 -3.823 263 HA PHE 52 HA PHE 52 -1.333 5.522 -1.003 264 HB2 PHE 52 HB1 PHE 52 0.095 7.609 -0.866 265 HB3 PHE 52 HB2 PHE 52 0.967 6.106 -1.171 266 HD1 PHE 52 HD1 PHE 52 -0.589 8.928 -3.043 267 HD2 PHE 52 HD2 PHE 52 2.522 6.027 -2.864 268 HE1 PHE 52 HE1 PHE 52 0.436 9.909 -5.053 269 HE2 PHE 52 HE2 PHE 52 3.553 7.005 -4.872 270 HZ PHE 52 HZ PHE 52 2.511 8.948 -5.970 271 H CYS 53 H CYS 53 -2.105 7.721 -0.223 272 HA CYS 53 HA CYS 53 -4.211 8.612 -2.034 273 HB2 CYS 53 HB1 CYS 53 -3.730 8.819 0.921 274 HB3 CYS 53 HB2 CYS 53 -4.863 9.925 0.140 275 H LEU 54 H LEU 54 -3.493 10.118 -3.426 276 HA LEU 54 HA LEU 54 -1.741 12.251 -2.460 277 HB2 LEU 54 HB1 LEU 54 -1.120 11.077 -4.524 278 HB3 LEU 54 HB2 LEU 54 -2.654 11.581 -5.254 279 HG LEU 54 HG LEU 54 -1.576 13.984 -4.547 280 HD11 LEU 54 HD11 LEU 54 0.679 14.048 -4.670 281 HD12 LEU 54 HD12 LEU 54 0.770 12.690 -5.793 282 HD13 LEU 54 HD13 LEU 54 0.525 12.396 -4.071 283 HD21 LEU 54 HD21 LEU 54 -0.655 13.663 -7.092 284 HD22 LEU 54 HD22 LEU 54 -2.317 14.070 -6.661 285 HD23 LEU 54 HD23 LEU 54 -1.876 12.393 -6.989 286 H GLN 55 H GLN 55 -2.374 14.321 -2.231 287 HA GLN 55 HA GLN 55 -5.033 15.084 -3.221 288 HB2 GLN 55 HB1 GLN 55 -3.962 15.851 -0.500 289 HB3 GLN 55 HB2 GLN 55 -5.577 16.176 -1.150 290 HG2 GLN 55 HG1 GLN 55 -5.734 13.575 -1.319 291 HG3 GLN 55 HG2 GLN 55 -4.433 13.625 -0.121 292 HE21 GLN 55 HE21 GLN 55 -7.236 12.720 0.071 293 HE22 GLN 55 HE22 GLN 55 -7.914 13.601 1.393 294 HA PRO 56 HA PRO 56 -1.982 18.200 -4.623 295 HB2 PRO 56 HB1 PRO 56 -3.295 18.741 -6.966 296 HB3 PRO 56 HB2 PRO 56 -2.175 17.393 -6.765 297 HG2 PRO 56 HG1 PRO 56 -5.170 17.419 -6.605 298 HG3 PRO 56 HG2 PRO 56 -4.084 16.255 -7.451 299 HD2 PRO 56 HD1 PRO 56 -5.231 15.710 -5.052 300 HD3 PRO 56 HD2 PRO 56 -3.622 15.116 -5.500 301 H ARG 57 H ARG 57 -2.161 20.462 -4.806 302 HA ARG 57 HA ARG 57 -4.439 21.576 -3.427 303 HB2 ARG 57 HB1 ARG 57 -1.960 22.892 -4.560 304 HB3 ARG 57 HB2 ARG 57 -3.170 23.697 -3.550 305 HG2 ARG 57 HG1 ARG 57 -2.434 22.745 -1.633 306 HG3 ARG 57 HG2 ARG 57 -1.968 21.239 -2.443 307 HD2 ARG 57 HD1 ARG 57 0.087 22.089 -3.147 308 HD3 ARG 57 HD2 ARG 57 -0.449 23.765 -2.962 309 HE ARG 57 HE ARG 57 -0.467 22.518 -0.445 310 HH11 ARG 57 HH11 ARG 57 1.763 23.638 -2.873 311 HH12 ARG 57 HH12 ARG 57 3.037 23.955 -1.742 312 HH21 ARG 57 HH21 ARG 57 1.203 22.931 1.053 313 HH22 ARG 57 HH22 ARG 57 2.718 23.551 0.490 314 H ASP 58 H ASP 58 -3.122 21.571 -6.679 315 HA ASP 58 HA ASP 58 -5.037 23.521 -7.633 316 HB2 ASP 58 HB1 ASP 58 -2.634 23.187 -8.496 317 HB3 ASP 58 HB2 ASP 58 -3.282 21.789 -9.363 318 HD2 ASP 58 HD ASP 58 -4.825 25.266 -10.507 319 H GLU 59 H GLU 59 -4.802 20.096 -7.330 320 HA GLU 59 HA GLU 59 -7.252 19.790 -8.939 321 HB2 GLU 59 HB1 GLU 59 -4.756 18.395 -9.072 322 HB3 GLU 59 HB2 GLU 59 -6.017 17.263 -8.559 323 HG2 GLU 59 HG1 GLU 59 -6.023 17.076 -10.873 324 HG3 GLU 59 HG2 GLU 59 -7.373 18.164 -10.528 325 HE2 GLU 59 HE GLU 59 -4.151 20.007 -11.942 326 H LYS 60 H LYS 60 -8.317 17.543 -8.230 327 HA LYS 60 HA LYS 60 -8.985 17.914 -5.423 328 HB2 LYS 60 HB1 LYS 60 -10.242 16.580 -7.769 329 HB3 LYS 60 HB2 LYS 60 -10.619 15.929 -6.165 330 HG2 LYS 60 HG1 LYS 60 -11.319 18.211 -5.454 331 HG3 LYS 60 HG2 LYS 60 -11.084 18.742 -7.129 332 HD2 LYS 60 HD1 LYS 60 -12.869 16.413 -6.448 333 HD3 LYS 60 HD2 LYS 60 -13.454 18.085 -6.410 334 HE2 LYS 60 HE1 LYS 60 -13.366 18.329 -8.680 335 HE3 LYS 60 HE2 LYS 60 -11.987 17.232 -8.839 336 HZ1 LYS 60 HZ1 LYS 60 -14.620 16.650 -9.367 337 HZ2 LYS 60 HZ2 LYS 60 -14.291 15.844 -7.917 338 HZ3 LYS 60 HZ3 LYS 60 -13.338 15.548 -9.284 339 HA PRO 61 HA PRO 61 -6.843 14.440 -3.813 340 HB2 PRO 61 HB1 PRO 61 -8.636 13.420 -2.011 341 HB3 PRO 61 HB2 PRO 61 -7.767 14.934 -1.768 342 HG2 PRO 61 HG1 PRO 61 -10.543 14.478 -2.811 343 HG3 PRO 61 HG2 PRO 61 -9.964 15.676 -1.593 344 HD2 PRO 61 HD1 PRO 61 -10.475 16.341 -4.176 345 HD3 PRO 61 HD2 PRO 61 -9.190 17.108 -3.226 346 H PHE 62 H PHE 62 -6.449 12.381 -4.389 347 HA PHE 62 HA PHE 62 -8.486 10.452 -4.865 348 HB2 PHE 62 HB1 PHE 62 -8.312 10.151 -7.218 349 HB3 PHE 62 HB2 PHE 62 -8.599 11.872 -6.951 350 HD1 PHE 62 HD1 PHE 62 -6.356 13.296 -6.651 351 HD2 PHE 62 HD2 PHE 62 -6.687 9.610 -8.756 352 HE1 PHE 62 HE1 PHE 62 -4.344 13.861 -7.951 353 HE2 PHE 62 HE2 PHE 62 -4.675 10.169 -10.057 354 HZ PHE 62 HZ PHE 62 -3.500 12.295 -9.656 355 H CYS 63 H CYS 63 -7.427 8.462 -6.051 356 HA CYS 63 HA CYS 63 -4.974 7.915 -4.586 357 HB2 CYS 63 HB1 CYS 63 -7.227 6.407 -5.244 358 HB3 CYS 63 HB2 CYS 63 -5.946 5.748 -6.264 359 H ALA 64 H ALA 64 -3.055 8.211 -5.486 360 HA ALA 64 HA ALA 64 -2.835 8.136 -8.419 361 HB1 ALA 64 HB1 ALA 64 -1.154 9.507 -6.331 362 HB2 ALA 64 HB2 ALA 64 -0.687 9.383 -8.029 363 HB3 ALA 64 HB3 ALA 64 -2.155 10.250 -7.580 364 H THR 65 H THR 65 -1.272 6.904 -9.426 365 HA THR 65 HA THR 65 -0.621 4.436 -8.368 366 HB THR 65 HB THR 65 1.419 4.852 -10.174 367 HG1 THR 65 HG1 THR 65 0.130 6.002 -11.885 368 HG21 THR 65 HG21 THR 65 -0.796 4.156 -11.720 369 HG22 THR 65 HG22 THR 65 -1.176 3.577 -10.097 370 HG23 THR 65 HG23 THR 65 0.308 3.056 -10.897 371 H CYS 66 H CYS 66 1.230 3.529 -7.472 372 HA CYS 66 HA CYS 66 2.629 5.076 -5.607 373 HB2 CYS 66 HB1 CYS 66 2.331 2.375 -6.143 374 HB3 CYS 66 HB2 CYS 66 4.048 2.660 -6.440 375 H ARG 67 H ARG 67 5.140 5.000 -5.530 376 HA ARG 67 HA ARG 67 6.092 6.162 -8.054 377 HB2 ARG 67 HB1 ARG 67 6.882 6.542 -5.176 378 HB3 ARG 67 HB2 ARG 67 7.970 7.015 -6.490 379 HG2 ARG 67 HG1 ARG 67 6.121 8.439 -7.408 380 HG3 ARG 67 HG2 ARG 67 5.220 8.089 -5.922 381 HD2 ARG 67 HD1 ARG 67 6.697 9.276 -4.576 382 HD3 ARG 67 HD2 ARG 67 8.009 9.150 -5.755 383 HE ARG 67 HE ARG 67 7.251 11.063 -6.749 384 HH11 ARG 67 HH11 ARG 67 4.732 9.765 -4.727 385 HH12 ARG 67 HH12 ARG 67 3.688 11.134 -4.925 386 HH21 ARG 67 HH21 ARG 67 5.886 12.870 -7.018 387 HH22 ARG 67 HH22 ARG 67 4.345 12.899 -6.229 388 H GLY 68 H GLY 68 7.924 5.434 -9.062 389 HA2 GLY 68 HA2 GLY 68 8.794 2.763 -8.319 390 HA3 GLY 68 HA3 GLY 68 9.212 3.626 -9.792 391 HA1 GLY 68 HA1 GLY 68 8.867 3.395 -7.707 392 H LEU 69 H LEU 69 11.329 2.560 -9.111 393 HA LEU 69 HA LEU 69 12.774 3.651 -6.919 394 HB2 LEU 69 HB1 LEU 69 13.417 1.949 -9.285 395 HB3 LEU 69 HB2 LEU 69 14.750 2.725 -8.409 396 HG LEU 69 HG LEU 69 12.734 0.829 -7.205 397 HD11 LEU 69 HD11 LEU 69 14.016 -0.807 -7.969 398 HD12 LEU 69 HD12 LEU 69 15.370 -0.151 -7.049 399 HD13 LEU 69 HD13 LEU 69 15.110 0.358 -8.717 400 HD21 LEU 69 HD21 LEU 69 15.102 2.294 -6.067 401 HD22 LEU 69 HD22 LEU 69 14.416 0.855 -5.312 402 HD23 LEU 69 HD23 LEU 69 13.431 2.307 -5.501 403 H ARG 70 H ARG 70 12.287 4.612 -10.222 404 HA ARG 70 HA ARG 70 14.423 6.597 -10.084 405 HB2 ARG 70 HB1 ARG 70 12.617 5.601 -12.277 406 HB3 ARG 70 HB2 ARG 70 13.543 7.097 -12.467 407 HG2 ARG 70 HG1 ARG 70 15.415 5.258 -11.553 408 HG3 ARG 70 HG2 ARG 70 14.411 4.353 -12.700 409 HD2 ARG 70 HD1 ARG 70 14.727 6.249 -14.334 410 HD3 ARG 70 HD2 ARG 70 15.916 6.914 -13.202 411 HE ARG 70 HE ARG 70 16.782 4.376 -13.594 412 HH11 ARG 70 HH11 ARG 70 15.936 6.987 -15.737 413 HH12 ARG 70 HH12 ARG 70 17.047 6.503 -16.975 414 HH21 ARG 70 HH21 ARG 70 18.248 3.730 -15.216 415 HH22 ARG 70 HH22 ARG 70 18.361 4.650 -16.679 416 H ARG 71 H ARG 71 11.616 6.541 -8.701 417 HA ARG 71 HA ARG 71 10.653 9.153 -9.620 418 HB2 ARG 71 HB1 ARG 71 9.426 6.805 -8.330 419 HB3 ARG 71 HB2 ARG 71 8.882 8.365 -7.698 420 HG2 ARG 71 HG1 ARG 71 8.861 7.646 -10.628 421 HG3 ARG 71 HG2 ARG 71 7.479 7.442 -9.538 422 HD2 ARG 71 HD1 ARG 71 7.031 9.665 -9.451 423 HD3 ARG 71 HD2 ARG 71 8.743 10.104 -9.511 424 HE ARG 71 HE ARG 71 8.589 10.286 -11.789 425 HH11 ARG 71 HH11 ARG 71 5.815 8.560 -10.586 426 HH12 ARG 71 HH12 ARG 71 4.989 8.564 -12.109 427 HH21 ARG 71 HH21 ARG 71 7.512 10.298 -13.799 428 HH22 ARG 71 HH22 ARG 71 5.956 9.553 -13.937 429 H ARG 72 H ARG 72 10.646 10.941 -8.338 430 HA ARG 72 HA ARG 72 12.396 10.905 -6.045 431 HB2 ARG 72 HB1 ARG 72 11.964 13.364 -6.005 432 HB3 ARG 72 HB2 ARG 72 12.595 12.766 -7.547 433 HG2 ARG 72 HG1 ARG 72 9.781 12.648 -7.730 434 HG3 ARG 72 HG2 ARG 72 10.198 14.223 -7.034 435 HD2 ARG 72 HD1 ARG 72 12.044 14.108 -8.991 436 HD3 ARG 72 HD2 ARG 72 10.767 13.124 -9.719 437 HE ARG 72 HE ARG 72 9.719 15.550 -8.676 438 HH11 ARG 72 HH11 ARG 72 11.512 14.223 -11.348 439 HH12 ARG 72 HH12 ARG 72 11.017 15.454 -12.462 440 HH21 ARG 72 HH21 ARG 72 9.060 17.178 -10.133 441 HH22 ARG 72 HH22 ARG 72 9.623 17.135 -11.769 442 H CYS 73 H CYS 73 11.857 11.152 -3.931 443 HA CYS 73 HA CYS 73 9.021 11.526 -3.262 444 HB2 CYS 73 HB1 CYS 73 9.261 9.798 -1.477 445 HB3 CYS 73 HB2 CYS 73 9.367 9.151 -3.115 446 H GLN 74 H GLN 74 8.689 12.113 -0.965 447 HA GLN 74 HA GLN 74 10.975 13.662 0.062 448 HB2 GLN 74 HB1 GLN 74 9.023 14.985 -0.844 449 HB3 GLN 74 HB2 GLN 74 8.060 14.319 0.485 450 HG2 GLN 74 HG1 GLN 74 10.579 15.517 1.363 451 HG3 GLN 74 HG2 GLN 74 9.484 16.650 0.558 452 HE21 GLN 74 HE21 GLN 74 7.052 16.008 1.294 453 HE22 GLN 74 HE22 GLN 74 6.855 16.052 3.010 454 H ARG 75 H ARG 75 8.296 11.548 0.836 455 HA ARG 75 HA ARG 75 9.300 11.352 3.600 456 HB2 ARG 75 HB1 ARG 75 6.735 11.960 2.736 457 HB3 ARG 75 HB2 ARG 75 6.643 10.240 3.145 458 HG2 ARG 75 HG1 ARG 75 7.805 10.928 5.355 459 HG3 ARG 75 HG2 ARG 75 7.271 12.561 4.919 460 HD2 ARG 75 HD1 ARG 75 4.946 11.753 4.750 461 HD3 ARG 75 HD2 ARG 75 5.499 10.140 5.227 462 HE ARG 75 HE ARG 75 4.999 12.349 6.953 463 HH11 ARG 75 HH11 ARG 75 7.006 9.536 6.530 464 HH12 ARG 75 HH12 ARG 75 7.310 9.337 8.223 465 HH21 ARG 75 HH21 ARG 75 5.392 12.098 9.185 466 HH22 ARG 75 HH22 ARG 75 6.391 10.794 9.734 467 H ASP 76 H ASP 76 8.826 9.159 4.603 468 HA ASP 76 HA ASP 76 10.005 7.145 2.921 469 HB2 ASP 76 HB1 ASP 76 10.767 7.160 5.164 470 HB3 ASP 76 HB2 ASP 76 9.117 7.190 5.801 471 HD2 ASP 76 HD ASP 76 10.530 3.699 4.536 472 H ALA 77 H ALA 77 6.922 7.464 4.672 473 HA ALA 77 HA ALA 77 5.788 5.069 3.713 474 HB1 ALA 77 HB1 ALA 77 3.882 5.685 4.821 475 HB2 ALA 77 HB2 ALA 77 5.068 6.696 5.649 476 HB3 ALA 77 HB3 ALA 77 4.047 7.386 4.388 477 H MET 78 H MET 78 6.107 8.228 2.317 478 HA MET 78 HA MET 78 4.041 8.218 0.454 479 HB2 MET 78 HB1 MET 78 6.666 9.563 0.716 480 HB3 MET 78 HB2 MET 78 5.979 9.513 -0.915 481 HG2 MET 78 HG1 MET 78 3.819 10.397 0.216 482 HG3 MET 78 HG2 MET 78 4.906 10.837 1.538 483 HE1 MET 78 HE1 MET 78 4.788 12.603 -2.680 484 HE2 MET 78 HE2 MET 78 5.676 11.091 -2.502 485 HE3 MET 78 HE3 MET 78 3.962 11.161 -2.089 486 H CYS 79 H CYS 79 7.044 6.471 0.501 487 HA CYS 79 HA CYS 79 6.708 5.613 -2.273 488 HB2 CYS 79 HB1 CYS 79 8.937 5.823 -0.400 489 HB3 CYS 79 HB2 CYS 79 8.906 4.270 -1.238 490 H CYS 80 H CYS 80 6.455 3.456 -2.873 491 HA CYS 80 HA CYS 80 4.724 1.895 -1.394 492 HB2 CYS 80 HB1 CYS 80 6.406 1.520 -3.780 493 HB3 CYS 80 HB2 CYS 80 6.022 0.025 -2.925 494 HA PRO 81 HA PRO 81 7.023 -0.285 1.639 495 HB2 PRO 81 HB1 PRO 81 5.900 -2.782 1.554 496 HB3 PRO 81 HB2 PRO 81 5.075 -1.365 2.204 497 HG2 PRO 81 HG1 PRO 81 4.864 -2.607 -0.518 498 HG3 PRO 81 HG2 PRO 81 3.553 -2.025 0.575 499 HD2 PRO 81 HD1 PRO 81 4.436 -0.583 -1.549 500 HD3 PRO 81 HD2 PRO 81 3.873 0.171 -0.048 501 H GLY 82 H GLY 82 8.867 -1.474 1.876 502 HA2 GLY 82 HA2 GLY 82 10.273 -3.342 1.273 503 HA3 GLY 82 HA3 GLY 82 9.687 -3.188 -0.377 504 HA1 GLY 82 HA1 GLY 82 10.307 -2.501 1.537 505 H THR 83 H THR 83 9.980 -0.180 -0.084 506 HA THR 83 HA THR 83 12.904 -0.087 -0.454 507 HB THR 83 HB THR 83 12.320 1.955 -1.946 508 HG1 THR 83 HG1 THR 83 10.271 1.918 -2.825 509 HG21 THR 83 HG21 THR 83 13.014 0.545 -3.524 510 HG22 THR 83 HG22 THR 83 11.415 -0.198 -3.580 511 HG23 THR 83 HG23 THR 83 12.636 -0.815 -2.468 512 H LEU 84 H LEU 84 13.731 2.256 -0.282 513 HA LEU 84 HA LEU 84 12.344 3.682 1.884 514 HB2 LEU 84 HB1 LEU 84 14.660 2.198 2.223 515 HB3 LEU 84 HB2 LEU 84 15.243 3.861 2.035 516 HG LEU 84 HG LEU 84 13.022 3.603 3.922 517 HD11 LEU 84 HD11 LEU 84 15.592 2.592 4.996 518 HD12 LEU 84 HD12 LEU 84 14.586 1.465 4.086 519 HD13 LEU 84 HD13 LEU 84 13.937 2.269 5.515 520 HD21 LEU 84 HD21 LEU 84 15.793 4.773 4.142 521 HD22 LEU 84 HD22 LEU 84 14.453 5.041 5.258 522 HD23 LEU 84 HD23 LEU 84 14.355 5.639 3.602 523 H CYS 85 H CYS 85 12.558 5.910 1.890 524 HA CYS 85 HA CYS 85 13.186 7.093 -0.652 525 HB2 CYS 85 HB1 CYS 85 11.300 7.751 0.981 526 HB3 CYS 85 HB2 CYS 85 12.557 8.618 1.866 527 H VAL 86 H VAL 86 15.344 7.060 -1.072 528 HA VAL 86 HA VAL 86 17.130 8.316 0.904 529 HB VAL 86 HB VAL 86 17.837 6.474 -1.385 530 HG11 VAL 86 HG11 VAL 86 19.706 7.827 -1.146 531 HG12 VAL 86 HG12 VAL 86 19.492 7.988 0.598 532 HG13 VAL 86 HG13 VAL 86 20.072 6.468 -0.083 533 HG21 VAL 86 HG21 VAL 86 16.742 5.249 0.369 534 HG22 VAL 86 HG22 VAL 86 18.470 4.905 0.438 535 HG23 VAL 86 HG23 VAL 86 17.747 6.022 1.595 536 H ASN 87 H ASN 87 18.211 10.135 0.401 537 HA ASN 87 HA ASN 87 18.746 12.057 -0.692 538 HB2 ASN 87 HB1 ASN 87 19.931 10.084 -2.041 539 HB3 ASN 87 HB2 ASN 87 18.845 10.646 -3.316 540 HD21 ASN 87 HD21 ASN 87 20.827 11.187 -4.432 541 HD22 ASN 87 HD22 ASN 87 21.599 12.696 -4.101 542 H ASP 88 H ASP 88 15.984 11.549 -0.396 543 HA ASP 88 HA ASP 88 13.974 12.384 -1.056 544 HB2 ASP 88 HB1 ASP 88 15.483 13.989 -3.128 545 HB3 ASP 88 HB2 ASP 88 13.928 14.372 -2.378 546 HD2 ASP 88 HD ASP 88 17.126 15.683 -0.653 547 H VAL 89 H VAL 89 15.207 10.035 -2.383 548 HA VAL 89 HA VAL 89 13.320 9.873 -4.596 549 HB VAL 89 HB VAL 89 16.243 9.204 -4.968 550 HG11 VAL 89 HG11 VAL 89 13.945 9.072 -6.919 551 HG12 VAL 89 HG12 VAL 89 15.634 8.703 -7.270 552 HG13 VAL 89 HG13 VAL 89 14.722 7.687 -6.154 553 HG21 VAL 89 HG21 VAL 89 15.957 11.587 -5.006 554 HG22 VAL 89 HG22 VAL 89 16.173 11.024 -6.664 555 HG23 VAL 89 HG23 VAL 89 14.564 11.449 -6.078 556 H CYS 90 H CYS 90 12.546 7.828 -4.963 557 HA CYS 90 HA CYS 90 12.675 5.959 -2.881 558 HB2 CYS 90 HB1 CYS 90 11.133 6.324 -5.160 559 HB3 CYS 90 HB2 CYS 90 11.954 4.792 -5.458 560 H THR 91 H THR 91 14.217 4.577 -2.343 561 HA THR 91 HA THR 91 15.880 3.397 -4.458 562 HB THR 91 HB THR 91 16.959 4.481 -1.848 563 HG1 THR 91 HG1 THR 91 17.764 5.374 -4.392 564 HG21 THR 91 HG21 THR 91 18.560 2.945 -2.184 565 HG22 THR 91 HG22 THR 91 19.083 3.969 -3.521 566 HG23 THR 91 HG23 THR 91 18.008 2.603 -3.823 567 H THR 92 H THR 92 16.463 1.285 -4.147 568 HA THR 92 HA THR 92 14.884 -0.285 -2.413 569 HB THR 92 HB THR 92 16.845 -2.016 -3.069 570 HG1 THR 92 HG1 THR 92 17.689 -1.423 -5.086 571 HG21 THR 92 HG21 THR 92 14.910 -2.767 -3.929 572 HG22 THR 92 HG22 THR 92 15.420 -1.956 -5.409 573 HG23 THR 92 HG23 THR 92 14.332 -1.141 -4.287 574 H MET 93 H MET 93 15.500 -1.576 -0.629 575 HA MET 93 HA MET 93 17.099 -0.285 1.284 576 HB2 MET 93 HB1 MET 93 15.386 -2.576 1.160 577 HB3 MET 93 HB2 MET 93 16.891 -3.033 1.972 578 HG2 MET 93 HG1 MET 93 16.323 -0.638 3.167 579 HG3 MET 93 HG2 MET 93 14.716 -1.310 2.882 580 HE1 MET 93 HE1 MET 93 14.838 -1.246 6.014 581 HE2 MET 93 HE2 MET 93 16.387 -1.826 6.627 582 HE3 MET 93 HE3 MET 93 16.339 -0.515 5.447 583 H GLU 94 H GLU 94 17.846 -2.654 -1.143 584 HA GLU 94 HA GLU 94 20.325 -3.504 0.010 585 HB2 GLU 94 HB1 GLU 94 19.362 -3.726 -2.852 586 HB3 GLU 94 HB2 GLU 94 20.706 -4.621 -2.128 587 HG2 GLU 94 HG1 GLU 94 19.271 -5.895 -0.754 588 HG3 GLU 94 HG2 GLU 94 17.898 -4.832 -1.092 589 HE2 GLU 94 HE GLU 94 18.215 -6.346 -4.513 590 H ASP 95 H ASP 95 19.304 -0.916 -2.065 591 HA ASP 95 HA ASP 95 21.953 -0.276 -3.000 592 HB2 ASP 95 HB1 ASP 95 19.212 0.799 -3.374 593 HB3 ASP 95 HB2 ASP 95 20.540 1.955 -3.552 594 HD2 ASP 95 HD ASP 95 20.878 0.848 -6.769 595 H ALA 96 H ALA 96 19.748 0.891 -0.511 596 HA ALA 96 HA ALA 96 21.251 3.164 0.244 597 HB1 ALA 96 HB1 ALA 96 19.688 3.477 1.866 598 HB2 ALA 96 HB2 ALA 96 18.791 2.360 0.837 599 HB3 ALA 96 HB3 ALA 96 19.611 1.764 2.280 600 H THR 97 H THR 97 21.855 3.187 2.793 601 HA THR 97 HA THR 97 23.991 1.191 3.027 602 HB THR 97 HB THR 97 24.364 3.053 5.060 603 HG1 THR 97 HG1 THR 97 23.375 4.798 4.403 604 HG21 THR 97 HG21 THR 97 25.953 1.950 3.337 605 HG22 THR 97 HG22 THR 97 26.346 3.559 3.945 606 HG23 THR 97 HG23 THR 97 25.612 3.373 2.353 607 H GLU 98 H GLU 98 21.103 2.351 4.581 608 HA GLU 98 HA GLU 98 21.581 0.992 7.071 609 HB2 GLU 98 HB1 GLU 98 20.166 3.076 6.760 610 HB3 GLU 98 HB2 GLU 98 18.935 2.019 6.051 611 HG2 GLU 98 HG1 GLU 98 18.336 1.125 8.035 612 HG3 GLU 98 HG2 GLU 98 19.982 1.199 8.680 613 HE2 GLU 98 HE GLU 98 18.435 4.798 8.858 614 H ASN 99 H ASN 99 21.479 -1.137 7.269 615 HA ASN 99 HA ASN 99 19.382 -2.587 5.799 616 HB2 ASN 99 HB1 ASN 99 22.096 -3.780 6.364 617 HB3 ASN 99 HB2 ASN 99 20.855 -4.355 5.243 618 HD21 ASN 99 HD21 ASN 99 23.705 -3.622 4.857 619 HD22 ASN 99 HD22 ASN 99 23.702 -2.470 3.569 620 H LEU 100 H LEU 100 19.024 -4.819 6.765 621 HA LEU 100 HA LEU 100 19.035 -4.571 9.696 622 HB2 LEU 100 HB1 LEU 100 16.898 -4.872 8.097 623 HB3 LEU 100 HB2 LEU 100 17.313 -6.575 8.365 624 HG LEU 100 HG LEU 100 17.339 -5.593 10.914 625 HD11 LEU 100 HD11 LEU 100 16.309 -3.483 9.666 626 HD12 LEU 100 HD12 LEU 100 15.788 -3.977 11.277 627 HD13 LEU 100 HD13 LEU 100 14.828 -4.421 9.865 628 HD21 LEU 100 HD21 LEU 100 16.241 -7.646 9.884 629 HD22 LEU 100 HD22 LEU 100 14.841 -6.615 9.590 630 HD23 LEU 100 HD23 LEU 100 15.405 -6.888 11.240 631 H TYR 101 H TYR 101 18.732 -6.953 10.669 632 HA TYR 101 HA TYR 101 20.319 -8.969 9.372 633 HB2 TYR 101 HB1 TYR 101 22.061 -9.085 11.116 634 HB3 TYR 101 HB2 TYR 101 22.119 -7.568 10.216 635 HD1 TYR 101 HD1 TYR 101 21.455 -5.453 11.252 636 HD2 TYR 101 HD2 TYR 101 21.457 -9.085 13.469 637 HE1 TYR 101 HE1 TYR 101 21.329 -4.168 13.346 638 HE2 TYR 101 HE2 TYR 101 21.329 -7.810 15.568 639 HH TYR 101 HH TYR 101 20.782 -5.711 16.418 640 H PHE 102 H PHE 102 20.900 -10.681 11.292 641 HA PHE 102 HA PHE 102 18.446 -11.003 12.885 642 HB2 PHE 102 HB1 PHE 102 18.438 -13.389 12.418 643 HB3 PHE 102 HB2 PHE 102 18.384 -12.481 10.907 644 HD1 PHE 102 HD1 PHE 102 20.373 -12.319 9.460 645 HD2 PHE 102 HD2 PHE 102 20.300 -14.800 12.919 646 HE1 PHE 102 HE1 PHE 102 22.340 -13.538 8.624 647 HE2 PHE 102 HE2 PHE 102 22.267 -16.021 12.089 648 HZ PHE 102 HZ PHE 102 23.291 -15.390 9.940 649 H GLN 103 H GLN 103 18.697 -12.491 14.730 650 HA GLN 103 HA GLN 103 21.288 -12.061 15.998 651 HB2 GLN 103 HB1 GLN 103 20.190 -12.621 18.079 652 HB3 GLN 103 HB2 GLN 103 19.218 -11.431 17.200 653 HG2 GLN 103 HG1 GLN 103 17.826 -13.351 16.344 654 HG3 GLN 103 HG2 GLN 103 18.690 -14.371 17.503 655 HE21 GLN 103 HE21 GLN 103 18.736 -13.398 19.784 656 HE22 GLN 103 HE22 GLN 103 17.228 -12.792 20.367 657 H SER 104 H SER 104 22.516 -13.713 16.926 658 HA SER 104 HA SER 104 22.214 -16.288 15.607 659 HB2 SER 104 HB1 SER 104 24.444 -15.964 17.505 660 HB3 SER 104 HB2 SER 104 24.459 -16.495 15.815 661 HG SER 104 HG SER 104 24.649 -13.910 16.869 662 H LEU 105 H LEU 105 22.303 -18.294 16.755 663 HA LEU 105 HA LEU 105 21.529 -18.142 19.586 664 HB2 LEU 105 HB1 LEU 105 19.943 -19.085 17.336 665 HB3 LEU 105 HB2 LEU 105 20.152 -20.328 18.582 666 HG LEU 105 HG LEU 105 19.412 -18.275 20.141 667 HD11 LEU 105 HD11 LEU 105 18.592 -17.572 17.398 668 HD12 LEU 105 HD12 LEU 105 18.876 -16.543 18.802 669 HD13 LEU 105 HD13 LEU 105 17.353 -17.418 18.643 670 HD21 LEU 105 HD21 LEU 105 18.411 -20.549 19.949 671 HD22 LEU 105 HD22 LEU 105 17.443 -19.957 18.598 672 HD23 LEU 105 HD23 LEU 105 17.234 -19.261 20.206 673 H GLU 106 H GLU 106 22.107 -19.920 20.858 674 HA GLU 106 HA GLU 106 23.211 -22.313 19.893 675 HB2 GLU 106 HB1 GLU 106 24.960 -20.274 19.454 676 HB3 GLU 106 HB2 GLU 106 25.464 -20.815 21.062 677 HG2 GLU 106 HG1 GLU 106 25.038 -23.049 19.258 678 HG3 GLU 106 HG2 GLU 106 26.231 -21.899 18.637 679 HE2 GLU 106 HE GLU 106 28.099 -22.469 21.728 680 H HIS 107 H HIS 107 23.952 -23.703 21.579 681 HA HIS 107 HA HIS 107 23.963 -22.765 24.305 682 HB2 HIS 107 HB1 HIS 107 21.538 -23.004 23.812 683 HB3 HIS 107 HB2 HIS 107 21.813 -24.707 23.435 684 HD1 HIS 107 HD1 HIS 107 20.507 -25.743 25.325 685 HD2 HIS 107 HD2 HIS 107 23.319 -22.979 26.634 686 HE1 HIS 107 HE1 HIS 107 20.569 -25.981 27.828 687 HE2 HIS 107 HE2 HIS 107 22.287 -24.291 28.629 688 H HIS 108 H HIS 108 23.389 -25.811 22.533 689 HA HIS 108 HA HIS 108 25.781 -26.913 23.851 690 HB2 HIS 108 HB1 HIS 108 23.056 -27.800 24.054 691 HB3 HIS 108 HB2 HIS 108 24.016 -29.048 23.253 692 HD1 HIS 108 HD1 HIS 108 23.505 -27.418 26.547 693 HD2 HIS 108 HD2 HIS 108 26.078 -30.189 24.829 694 HE1 HIS 108 HE1 HIS 108 24.702 -28.506 28.471 695 HE2 HIS 108 HE2 HIS 108 26.275 -30.200 27.422 696 H HIS 109 H HIS 109 27.145 -28.112 22.605 697 HA HIS 109 HA HIS 109 26.337 -28.718 19.850 698 HB2 HIS 109 HB1 HIS 109 28.574 -27.929 19.051 699 HB3 HIS 109 HB2 HIS 109 27.517 -26.639 19.632 700 HD1 HIS 109 HD1 HIS 109 28.061 -25.703 22.087 701 HD2 HIS 109 HD2 HIS 109 31.004 -28.051 20.329 702 HE1 HIS 109 HE1 HIS 109 30.157 -25.248 23.399 703 HE2 HIS 109 HE2 HIS 109 31.957 -26.683 22.326 704 H HIS 110 H HIS 110 26.299 -30.679 21.601 705 HA HIS 110 HA HIS 110 28.600 -32.302 20.846 706 HB2 HIS 110 HB1 HIS 110 28.150 -31.280 23.516 707 HB3 HIS 110 HB2 HIS 110 28.094 -33.045 23.508 708 HD1 HIS 110 HD1 HIS 110 30.428 -30.249 22.456 709 HD2 HIS 110 HD2 HIS 110 30.521 -34.281 23.451 710 HE1 HIS 110 HE1 HIS 110 32.865 -30.860 22.552 711 HE2 HIS 110 HE2 HIS 110 32.923 -33.325 23.159 712 H HIS 111 H HIS 111 28.231 -34.641 21.444 713 HA HIS 111 HA HIS 111 25.381 -35.330 21.546 714 HB2 HIS 111 HB1 HIS 111 27.305 -35.883 19.360 715 HB3 HIS 111 HB2 HIS 111 26.268 -37.230 19.837 716 HD1 HIS 111 HD1 HIS 111 23.600 -35.952 20.289 717 HD2 HIS 111 HD2 HIS 111 26.100 -34.847 17.160 718 HE1 HIS 111 HE1 HIS 111 22.097 -34.907 18.564 719 HE2 HIS 111 HE2 HIS 111 23.624 -34.230 16.651 720 H HIS 112 H HIS 112 25.031 -37.664 22.012 721 HA HIS 112 HA HIS 112 25.327 -39.489 23.337 722 HB2 HIS 112 HB1 HIS 112 27.715 -39.196 21.858 723 HB3 HIS 112 HB2 HIS 112 28.201 -39.575 23.514 724 HD1 HIS 112 HD1 HIS 112 28.394 -41.988 23.966 725 HD2 HIS 112 HD2 HIS 112 25.585 -41.203 21.008 726 HE1 HIS 112 HE1 HIS 112 27.558 -44.238 23.218 727 HE2 HIS 112 HE2 HIS 112 25.841 -43.759 21.410 Start of MODEL 20 1 H1 MET 18 H MET 18 -37.588 38.259 21.558 2 HA MET 18 HA MET 18 -39.020 37.467 19.857 3 HB2 MET 18 HB1 MET 18 -40.097 35.921 22.181 4 HB3 MET 18 HB2 MET 18 -41.144 36.199 20.779 5 HG2 MET 18 HG1 MET 18 -39.784 34.968 19.342 6 HG3 MET 18 HG2 MET 18 -38.397 35.074 20.431 7 HE1 MET 18 HE1 MET 18 -39.484 32.961 23.416 8 HE2 MET 18 HE2 MET 18 -38.020 32.800 22.445 9 HE3 MET 18 HE3 MET 18 -38.647 34.402 22.839 10 H LEU 19 H LEU 19 -39.753 39.434 19.303 11 HA LEU 19 HA LEU 19 -42.093 40.457 20.755 12 HB2 LEU 19 HB1 LEU 19 -39.548 41.880 20.091 13 HB3 LEU 19 HB2 LEU 19 -41.074 42.781 20.078 14 HG LEU 19 HG LEU 19 -40.609 41.198 22.510 15 HD11 LEU 19 HD11 LEU 19 -38.841 43.540 21.824 16 HD12 LEU 19 HD12 LEU 19 -38.329 41.881 22.130 17 HD13 LEU 19 HD13 LEU 19 -39.020 42.845 23.434 18 HD21 LEU 19 HD21 LEU 19 -41.590 43.067 23.562 19 HD22 LEU 19 HD22 LEU 19 -42.463 42.864 22.043 20 HD23 LEU 19 HD23 LEU 19 -41.235 44.122 22.194 21 H VAL 20 H VAL 20 -40.151 40.564 17.796 22 HA VAL 20 HA VAL 20 -42.085 41.904 16.215 23 HB VAL 20 HB VAL 20 -40.777 41.163 14.282 24 HG11 VAL 20 HG11 VAL 20 -39.439 42.865 14.768 25 HG12 VAL 20 HG12 VAL 20 -39.820 42.688 16.483 26 HG13 VAL 20 HG13 VAL 20 -38.461 41.807 15.784 27 HG21 VAL 20 HG21 VAL 20 -40.137 38.972 14.683 28 HG22 VAL 20 HG22 VAL 20 -38.624 39.853 14.891 29 HG23 VAL 20 HG23 VAL 20 -39.542 39.334 16.304 30 H LEU 21 H LEU 21 -43.814 41.174 15.135 31 HA LEU 21 HA LEU 21 -44.686 38.466 15.568 32 HB2 LEU 21 HB1 LEU 21 -45.887 40.823 14.117 33 HB3 LEU 21 HB2 LEU 21 -46.658 39.229 14.178 34 HG LEU 21 HG LEU 21 -45.935 40.599 16.732 35 HD11 LEU 21 HD11 LEU 21 -47.315 42.042 14.966 36 HD12 LEU 21 HD12 LEU 21 -47.654 42.075 16.695 37 HD13 LEU 21 HD13 LEU 21 -48.637 41.077 15.623 38 HD21 LEU 21 HD21 LEU 21 -47.654 38.392 15.812 39 HD22 LEU 21 HD22 LEU 21 -48.344 39.425 17.064 40 HD23 LEU 21 HD23 LEU 21 -46.803 38.612 17.341 41 H ASP 22 H ASP 22 -44.661 36.803 14.170 42 HA ASP 22 HA ASP 22 -44.351 37.184 11.337 43 HB2 ASP 22 HB1 ASP 22 -42.014 36.834 12.968 44 HB3 ASP 22 HB2 ASP 22 -42.230 35.404 11.948 45 HD2 ASP 22 HD ASP 22 -41.103 38.766 10.266 46 H PHE 23 H PHE 23 -44.954 35.394 10.164 47 HA PHE 23 HA PHE 23 -45.092 32.768 11.197 48 HB2 PHE 23 HB1 PHE 23 -46.969 34.044 12.446 49 HB3 PHE 23 HB2 PHE 23 -47.818 34.005 10.899 50 HD1 PHE 23 HD1 PHE 23 -46.846 32.104 13.806 51 HD2 PHE 23 HD2 PHE 23 -48.425 31.832 9.863 52 HE1 PHE 23 HE1 PHE 23 -47.668 29.836 14.295 53 HE2 PHE 23 HE2 PHE 23 -49.250 29.565 10.345 54 HZ PHE 23 HZ PHE 23 -48.872 28.564 12.564 55 H ASN 24 H ASN 24 -44.357 32.000 9.291 56 HA ASN 24 HA ASN 24 -46.178 32.178 7.006 57 HB2 ASN 24 HB1 ASN 24 -43.732 33.579 7.144 58 HB3 ASN 24 HB2 ASN 24 -43.451 32.205 6.068 59 HD21 ASN 24 HD21 ASN 24 -44.940 35.250 6.431 60 HD22 ASN 24 HD22 ASN 24 -45.659 35.343 4.862 61 H ASN 25 H ASN 25 -45.764 30.512 5.371 62 HA ASN 25 HA ASN 25 -45.460 27.968 6.520 63 HB2 ASN 25 HB1 ASN 25 -45.873 29.069 3.811 64 HB3 ASN 25 HB2 ASN 25 -45.084 27.488 3.860 65 HD21 ASN 25 HD21 ASN 25 -46.828 26.425 2.968 66 HD22 ASN 25 HD22 ASN 25 -48.295 26.150 3.840 67 H ILE 26 H ILE 26 -43.853 26.355 6.136 68 HA ILE 26 HA ILE 26 -41.179 27.479 5.609 69 HB ILE 26 HB ILE 26 -40.329 25.600 7.065 70 HG12 ILE 26 HG11 ILE 26 -43.221 25.491 7.955 71 HG13 ILE 26 HG12 ILE 26 -42.437 24.261 6.949 72 HG21 ILE 26 HG21 ILE 26 -40.380 26.929 8.929 73 HG22 ILE 26 HG22 ILE 26 -40.872 28.092 7.699 74 HG23 ILE 26 HG23 ILE 26 -42.085 27.334 8.729 75 HD11 ILE 26 HD11 ILE 26 -40.906 24.768 9.337 76 HD12 ILE 26 HD12 ILE 26 -42.563 24.297 9.714 77 HD13 ILE 26 HD13 ILE 26 -41.556 23.254 8.711 78 H ARG 27 H ARG 27 -43.413 24.871 5.010 79 HA ARG 27 HA ARG 27 -43.401 23.117 3.559 80 HB2 ARG 27 HB1 ARG 27 -41.747 25.201 2.180 81 HB3 ARG 27 HB2 ARG 27 -41.888 23.589 1.461 82 HG2 ARG 27 HG1 ARG 27 -44.139 23.816 1.020 83 HG3 ARG 27 HG2 ARG 27 -44.358 25.048 2.273 84 HD2 ARG 27 HD1 ARG 27 -44.388 26.464 0.507 85 HD3 ARG 27 HD2 ARG 27 -42.630 26.336 0.665 86 HE ARG 27 HE ARG 27 -42.579 25.267 -1.347 87 HH11 ARG 27 HH11 ARG 27 -45.802 25.045 -0.052 88 HH12 ARG 27 HH12 ARG 27 -46.462 24.301 -1.471 89 HH21 ARG 27 HH21 ARG 27 -43.435 24.287 -3.220 90 HH22 ARG 27 HH22 ARG 27 -45.114 23.870 -3.273 91 H SER 28 H SER 28 -42.374 21.750 5.123 92 HA SER 28 HA SER 28 -39.584 21.452 5.357 93 HB2 SER 28 HB1 SER 28 -41.622 20.530 6.804 94 HB3 SER 28 HB2 SER 28 -41.362 19.095 5.797 95 HG SER 28 HG SER 28 -39.993 19.823 7.925 96 H SER 29 H SER 29 -38.801 18.957 4.977 97 HA SER 29 HA SER 29 -39.568 17.735 2.549 98 HB2 SER 29 HB1 SER 29 -38.290 20.000 1.944 99 HB3 SER 29 HB2 SER 29 -36.874 18.967 2.203 100 HG SER 29 HG SER 29 -37.827 19.044 0.000 101 H ALA 30 H ALA 30 -39.230 15.711 3.179 102 HA ALA 30 HA ALA 30 -36.648 15.048 4.438 103 HB1 ALA 30 HB1 ALA 30 -39.105 13.375 4.801 104 HB2 ALA 30 HB2 ALA 30 -37.665 13.482 5.816 105 HB3 ALA 30 HB3 ALA 30 -38.832 14.806 5.797 106 H ASP 31 H ASP 31 -35.390 13.622 3.422 107 HA ASP 31 HA ASP 31 -36.382 11.472 1.847 108 HB2 ASP 31 HB1 ASP 31 -35.663 14.011 0.504 109 HB3 ASP 31 HB2 ASP 31 -34.969 12.547 -0.205 110 HD2 ASP 31 HD ASP 31 -38.540 13.323 -1.220 111 H LEU 32 H LEU 32 -33.624 13.628 2.412 112 HA LEU 32 HA LEU 32 -31.981 11.459 3.277 113 HB2 LEU 32 HB1 LEU 32 -30.206 11.848 1.528 114 HB3 LEU 32 HB2 LEU 32 -31.660 10.988 0.993 115 HG LEU 32 HG LEU 32 -31.974 13.798 0.509 116 HD11 LEU 32 HD11 LEU 32 -30.197 14.246 -0.989 117 HD12 LEU 32 HD12 LEU 32 -29.589 12.595 -0.875 118 HD13 LEU 32 HD13 LEU 32 -29.458 13.681 0.509 119 HD21 LEU 32 HD21 LEU 32 -31.546 11.926 -1.725 120 HD22 LEU 32 HD22 LEU 32 -32.875 13.043 -1.414 121 HD23 LEU 32 HD23 LEU 32 -32.820 11.486 -0.588 122 H HIS 33 H HIS 33 -29.568 12.351 3.403 123 HA HIS 33 HA HIS 33 -29.673 15.166 4.251 124 HB2 HIS 33 HB1 HIS 33 -29.111 12.784 5.854 125 HB3 HIS 33 HB2 HIS 33 -27.836 14.001 5.963 126 HD1 HIS 33 HD1 HIS 33 -29.179 16.597 6.172 127 HD2 HIS 33 HD2 HIS 33 -30.781 13.198 7.944 128 HE1 HIS 33 HE1 HIS 33 -30.704 17.439 7.987 129 HE2 HIS 33 HE2 HIS 33 -31.683 15.362 9.070 130 H GLY 34 H GLY 34 -27.383 12.464 3.774 131 HA2 GLY 34 HA2 GLY 34 -25.702 12.527 2.062 132 HA3 GLY 34 HA3 GLY 34 -25.733 14.282 2.150 133 HA1 GLY 34 HA1 GLY 34 -25.817 12.296 2.905 134 H ALA 35 H ALA 35 -23.617 12.077 2.511 135 HA ALA 35 HA ALA 35 -22.556 13.075 5.075 136 HB1 ALA 35 HB1 ALA 35 -21.982 10.411 3.782 137 HB2 ALA 35 HB2 ALA 35 -21.376 10.978 5.339 138 HB3 ALA 35 HB3 ALA 35 -23.100 10.675 5.122 139 H ARG 36 H ARG 36 -21.847 12.263 1.730 140 HA ARG 36 HA ARG 36 -19.068 12.842 1.844 141 HB2 ARG 36 HB1 ARG 36 -19.110 12.750 -0.566 142 HB3 ARG 36 HB2 ARG 36 -20.127 11.453 0.079 143 HG2 ARG 36 HG1 ARG 36 -22.111 12.987 -0.279 144 HG3 ARG 36 HG2 ARG 36 -21.007 14.023 -1.198 145 HD2 ARG 36 HD1 ARG 36 -20.870 12.582 -2.951 146 HD3 ARG 36 HD2 ARG 36 -21.000 11.157 -1.910 147 HE ARG 36 HE ARG 36 -23.461 12.535 -1.952 148 HH11 ARG 36 HH11 ARG 36 -21.428 10.534 -3.947 149 HH12 ARG 36 HH12 ARG 36 -22.745 9.890 -4.871 150 HH21 ARG 36 HH21 ARG 36 -25.204 11.694 -3.161 151 HH22 ARG 36 HH22 ARG 36 -24.891 10.552 -4.425 152 H LYS 37 H LYS 37 -18.087 14.613 0.474 153 HA LYS 37 HA LYS 37 -19.640 17.062 0.320 154 HB2 LYS 37 HB1 LYS 37 -18.822 17.044 2.642 155 HB3 LYS 37 HB2 LYS 37 -17.163 16.877 2.046 156 HG2 LYS 37 HG1 LYS 37 -17.061 19.049 1.275 157 HG3 LYS 37 HG2 LYS 37 -18.822 19.189 1.150 158 HD2 LYS 37 HD1 LYS 37 -18.524 18.742 3.823 159 HD3 LYS 37 HD2 LYS 37 -17.052 19.655 3.449 160 HE2 LYS 37 HE1 LYS 37 -18.295 21.496 2.581 161 HE3 LYS 37 HE2 LYS 37 -19.794 20.555 2.593 162 HZ1 LYS 37 HZ1 LYS 37 -18.403 21.849 4.813 163 HZ2 LYS 37 HZ2 LYS 37 -19.227 20.410 5.143 164 HZ3 LYS 37 HZ3 LYS 37 -20.060 21.733 4.499 165 H GLY 38 H GLY 38 -16.222 16.015 0.317 166 HA2 GLY 38 HA2 GLY 38 -15.926 16.452 -2.485 167 HA3 GLY 38 HA3 GLY 38 -15.264 17.794 -1.564 168 HA1 GLY 38 HA1 GLY 38 -15.895 15.792 -1.900 169 H SER 39 H SER 39 -15.224 14.231 -1.361 170 HA SER 39 HA SER 39 -12.315 14.272 -1.458 171 HB2 SER 39 HB1 SER 39 -13.926 13.517 0.952 172 HB3 SER 39 HB2 SER 39 -12.452 12.599 0.593 173 HG SER 39 HG SER 39 -12.551 14.850 1.851 174 H GLN 40 H GLN 40 -11.393 12.303 -2.071 175 HA GLN 40 HA GLN 40 -13.303 10.413 -3.242 176 HB2 GLN 40 HB1 GLN 40 -11.135 11.652 -4.354 177 HB3 GLN 40 HB2 GLN 40 -10.451 10.089 -3.881 178 HG2 GLN 40 HG1 GLN 40 -13.051 10.037 -5.304 179 HG3 GLN 40 HG2 GLN 40 -11.621 10.505 -6.236 180 HE21 GLN 40 HE21 GLN 40 -13.456 7.952 -5.174 181 HE22 GLN 40 HE22 GLN 40 -12.332 6.671 -5.454 182 H CYS 41 H CYS 41 -10.534 10.611 -1.082 183 HA CYS 41 HA CYS 41 -11.274 8.049 0.076 184 HB2 CYS 41 HB1 CYS 41 -9.120 7.036 -0.131 185 HB3 CYS 41 HB2 CYS 41 -9.622 7.545 -1.744 186 H LEU 42 H LEU 42 -10.698 7.841 2.215 187 HA LEU 42 HA LEU 42 -9.616 10.270 3.455 188 HB2 LEU 42 HB1 LEU 42 -11.344 8.026 4.482 189 HB3 LEU 42 HB2 LEU 42 -10.548 9.179 5.567 190 HG LEU 42 HG LEU 42 -11.787 10.958 4.082 191 HD11 LEU 42 HD11 LEU 42 -13.026 8.399 3.317 192 HD12 LEU 42 HD12 LEU 42 -12.945 9.931 2.448 193 HD13 LEU 42 HD13 LEU 42 -14.143 9.702 3.722 194 HD21 LEU 42 HD21 LEU 42 -13.847 9.848 5.722 195 HD22 LEU 42 HD22 LEU 42 -12.840 11.268 6.008 196 HD23 LEU 42 HD23 LEU 42 -12.294 9.676 6.541 197 H SER 43 H SER 43 -9.179 6.789 3.258 198 HA SER 43 HA SER 43 -6.639 7.090 4.724 199 HB2 SER 43 HB1 SER 43 -8.811 5.439 5.372 200 HB3 SER 43 HB2 SER 43 -7.611 4.357 4.643 201 HG SER 43 HG SER 43 -7.596 5.424 7.083 202 H ASP 44 H ASP 44 -4.850 5.891 3.982 203 HA ASP 44 HA ASP 44 -4.584 5.734 1.190 204 HB2 ASP 44 HB1 ASP 44 -2.422 4.560 1.691 205 HB3 ASP 44 HB2 ASP 44 -2.631 6.104 2.531 206 HD2 ASP 44 HD ASP 44 -2.939 4.506 5.639 207 H THR 45 H THR 45 -5.621 3.419 3.554 208 HA THR 45 HA THR 45 -5.319 1.152 1.775 209 HB THR 45 HB THR 45 -6.817 0.137 3.753 210 HG1 THR 45 HG1 THR 45 -7.105 1.736 5.144 211 HG21 THR 45 HG21 THR 45 -4.905 -0.995 3.922 212 HG22 THR 45 HG22 THR 45 -4.248 0.320 4.898 213 HG23 THR 45 HG23 THR 45 -4.021 0.320 3.149 214 H ASP 46 H ASP 46 -7.379 3.634 1.754 215 HA ASP 46 HA ASP 46 -9.916 2.343 1.585 216 HB2 ASP 46 HB1 ASP 46 -9.576 4.770 2.118 217 HB3 ASP 46 HB2 ASP 46 -9.122 5.020 0.428 218 HD2 ASP 46 HD ASP 46 -12.406 4.828 -0.648 219 H CYS 47 H CYS 47 -7.322 2.929 -0.638 220 HA CYS 47 HA CYS 47 -8.834 2.582 -3.033 221 HB2 CYS 47 HB1 CYS 47 -6.222 3.359 -2.371 222 HB3 CYS 47 HB2 CYS 47 -6.037 1.873 -3.304 223 H ASN 48 H ASN 48 -8.501 0.785 -4.555 224 HA ASN 48 HA ASN 48 -9.074 -1.702 -3.340 225 HB2 ASN 48 HB1 ASN 48 -8.329 -1.017 -6.197 226 HB3 ASN 48 HB2 ASN 48 -8.914 -2.600 -5.671 227 HD21 ASN 48 HD21 ASN 48 -10.252 -1.248 -7.606 228 HD22 ASN 48 HD22 ASN 48 -11.775 -0.699 -7.002 229 H THR 49 H THR 49 -6.402 -1.056 -5.604 230 HA THR 49 HA THR 49 -4.872 -3.247 -4.569 231 HB THR 49 HB THR 49 -3.327 -1.377 -6.166 232 HG1 THR 49 HG1 THR 49 -5.133 -0.733 -7.207 233 HG21 THR 49 HG21 THR 49 -4.202 -3.962 -7.285 234 HG22 THR 49 HG22 THR 49 -3.356 -4.048 -5.740 235 HG23 THR 49 HG23 THR 49 -2.583 -3.285 -7.128 236 H ARG 50 H ARG 50 -2.315 -2.501 -4.423 237 HA ARG 50 HA ARG 50 -2.208 -1.106 -1.907 238 HB2 ARG 50 HB1 ARG 50 -0.205 -2.522 -3.643 239 HB3 ARG 50 HB2 ARG 50 0.334 -1.514 -2.291 240 HG2 ARG 50 HG1 ARG 50 -0.294 -3.007 -0.736 241 HG3 ARG 50 HG2 ARG 50 -1.773 -3.434 -1.613 242 HD2 ARG 50 HD1 ARG 50 -0.684 -4.994 -2.971 243 HD3 ARG 50 HD2 ARG 50 0.907 -4.295 -2.635 244 HE ARG 50 HE ARG 50 -0.229 -5.296 -0.250 245 HH11 ARG 50 HH11 ARG 50 1.223 -6.351 -3.233 246 HH12 ARG 50 HH12 ARG 50 1.820 -7.835 -2.569 247 HH21 ARG 50 HH21 ARG 50 0.554 -7.246 0.637 248 HH22 ARG 50 HH22 ARG 50 1.439 -8.344 -0.368 249 H LYS 51 H LYS 51 -3.041 0.936 -2.831 250 HA LYS 51 HA LYS 51 -0.850 2.532 -3.990 251 HB2 LYS 51 HB1 LYS 51 -3.764 2.427 -4.647 252 HB3 LYS 51 HB2 LYS 51 -2.922 3.979 -4.784 253 HG2 LYS 51 HG1 LYS 51 -2.604 3.241 -6.901 254 HG3 LYS 51 HG2 LYS 51 -1.194 2.484 -6.138 255 HD2 LYS 51 HD1 LYS 51 -1.978 0.408 -6.463 256 HD3 LYS 51 HD2 LYS 51 -3.610 0.860 -5.940 257 HE2 LYS 51 HE1 LYS 51 -4.336 1.237 -8.048 258 HE3 LYS 51 HE2 LYS 51 -2.798 1.957 -8.543 259 HZ1 LYS 51 HZ1 LYS 51 -2.075 0.025 -9.355 260 HZ2 LYS 51 HZ2 LYS 51 -3.685 -0.486 -9.284 261 HZ3 LYS 51 HZ3 LYS 51 -2.621 -0.866 -8.025 262 H PHE 52 H PHE 52 -1.025 4.885 -3.495 263 HA PHE 52 HA PHE 52 -1.888 5.233 -0.708 264 HB2 PHE 52 HB1 PHE 52 -0.323 7.215 -0.750 265 HB3 PHE 52 HB2 PHE 52 0.450 5.638 -0.925 266 HD1 PHE 52 HD1 PHE 52 1.962 5.287 -2.626 267 HD2 PHE 52 HD2 PHE 52 -0.896 8.418 -3.005 268 HE1 PHE 52 HE1 PHE 52 3.049 6.023 -4.708 269 HE2 PHE 52 HE2 PHE 52 0.185 9.157 -5.088 270 HZ PHE 52 HZ PHE 52 2.160 7.959 -5.942 271 H CYS 53 H CYS 53 -2.557 7.508 -0.138 272 HA CYS 53 HA CYS 53 -4.530 8.400 -2.102 273 HB2 CYS 53 HB1 CYS 53 -4.243 8.606 0.862 274 HB3 CYS 53 HB2 CYS 53 -5.145 9.875 0.033 275 H LEU 54 H LEU 54 -3.317 9.619 -3.527 276 HA LEU 54 HA LEU 54 -1.517 11.663 -2.625 277 HB2 LEU 54 HB1 LEU 54 -1.636 10.275 -4.886 278 HB3 LEU 54 HB2 LEU 54 -2.614 11.664 -5.386 279 HG LEU 54 HG LEU 54 -0.283 11.900 -6.079 280 HD11 LEU 54 HD11 LEU 54 -1.157 13.832 -3.938 281 HD12 LEU 54 HD12 LEU 54 -1.536 13.914 -5.659 282 HD13 LEU 54 HD13 LEU 54 0.126 14.133 -5.111 283 HD21 LEU 54 HD21 LEU 54 0.319 10.754 -3.655 284 HD22 LEU 54 HD22 LEU 54 0.777 12.441 -3.421 285 HD23 LEU 54 HD23 LEU 54 1.471 11.515 -4.752 286 H GLN 55 H GLN 55 -2.271 13.435 -1.667 287 HA GLN 55 HA GLN 55 -4.690 14.699 -2.775 288 HB2 GLN 55 HB1 GLN 55 -4.897 15.771 -0.492 289 HB3 GLN 55 HB2 GLN 55 -5.191 14.025 -0.557 290 HG2 GLN 55 HG1 GLN 55 -3.503 13.560 0.817 291 HG3 GLN 55 HG2 GLN 55 -2.411 14.678 -0.015 292 HE21 GLN 55 HE21 GLN 55 -5.301 14.817 2.043 293 HE22 GLN 55 HE22 GLN 55 -4.738 16.111 3.038 294 HA PRO 56 HA PRO 56 -1.301 17.629 -3.733 295 HB2 PRO 56 HB1 PRO 56 -2.486 18.585 -6.010 296 HB3 PRO 56 HB2 PRO 56 -1.517 17.114 -5.962 297 HG2 PRO 56 HG1 PRO 56 -4.497 17.432 -5.843 298 HG3 PRO 56 HG2 PRO 56 -3.512 16.273 -6.812 299 HD2 PRO 56 HD1 PRO 56 -4.773 15.560 -4.516 300 HD3 PRO 56 HD2 PRO 56 -3.221 14.863 -5.012 301 H ARG 57 H ARG 57 -1.224 19.865 -3.515 302 HA ARG 57 HA ARG 57 -3.481 21.041 -2.144 303 HB2 ARG 57 HB1 ARG 57 -1.954 23.000 -1.867 304 HB3 ARG 57 HB2 ARG 57 -1.310 21.480 -1.226 305 HG2 ARG 57 HG1 ARG 57 0.357 21.351 -2.769 306 HG3 ARG 57 HG2 ARG 57 -0.588 22.194 -4.008 307 HD2 ARG 57 HD1 ARG 57 0.841 23.890 -3.538 308 HD3 ARG 57 HD2 ARG 57 -0.323 24.189 -2.240 309 HE ARG 57 HE ARG 57 1.477 22.434 -1.162 310 HH11 ARG 57 HH11 ARG 57 1.668 25.568 -2.665 311 HH12 ARG 57 HH12 ARG 57 3.057 26.064 -1.757 312 HH21 ARG 57 HH21 ARG 57 3.306 23.075 0.040 313 HH22 ARG 57 HH22 ARG 57 3.989 24.644 -0.219 314 H ASP 58 H ASP 58 -2.026 21.167 -5.289 315 HA ASP 58 HA ASP 58 -3.497 23.559 -6.051 316 HB2 ASP 58 HB1 ASP 58 -1.102 22.353 -6.909 317 HB3 ASP 58 HB2 ASP 58 -2.231 22.196 -8.260 318 HD2 ASP 58 HD ASP 58 -2.328 25.646 -8.764 319 H GLU 59 H GLU 59 -3.781 20.129 -6.233 320 HA GLU 59 HA GLU 59 -6.152 20.434 -7.956 321 HB2 GLU 59 HB1 GLU 59 -3.839 18.821 -8.359 322 HB3 GLU 59 HB2 GLU 59 -5.206 17.745 -8.029 323 HG2 GLU 59 HG1 GLU 59 -6.265 19.567 -9.809 324 HG3 GLU 59 HG2 GLU 59 -4.610 19.329 -10.388 325 HE2 GLU 59 HE GLU 59 -7.042 16.185 -10.465 326 H LYS 60 H LYS 60 -7.466 18.195 -7.712 327 HA LYS 60 HA LYS 60 -8.278 18.166 -4.929 328 HB2 LYS 60 HB1 LYS 60 -9.462 17.442 -7.519 329 HB3 LYS 60 HB2 LYS 60 -9.873 16.331 -6.202 330 HG2 LYS 60 HG1 LYS 60 -10.874 18.046 -4.918 331 HG3 LYS 60 HG2 LYS 60 -10.203 19.307 -5.968 332 HD2 LYS 60 HD1 LYS 60 -11.697 17.551 -7.622 333 HD3 LYS 60 HD2 LYS 60 -12.689 17.924 -6.200 334 HE2 LYS 60 HE1 LYS 60 -12.628 20.243 -6.612 335 HE3 LYS 60 HE2 LYS 60 -11.270 20.080 -7.734 336 HZ1 LYS 60 HZ1 LYS 60 -12.643 19.713 -9.426 337 HZ2 LYS 60 HZ2 LYS 60 -13.904 20.214 -8.417 338 HZ3 LYS 60 HZ3 LYS 60 -13.549 18.567 -8.572 339 HA PRO 61 HA PRO 61 -6.438 14.377 -3.705 340 HB2 PRO 61 HB1 PRO 61 -8.403 13.223 -2.187 341 HB3 PRO 61 HB2 PRO 61 -7.479 14.633 -1.674 342 HG2 PRO 61 HG1 PRO 61 -10.193 14.498 -2.943 343 HG3 PRO 61 HG2 PRO 61 -9.642 15.476 -1.533 344 HD2 PRO 61 HD1 PRO 61 -9.934 16.526 -4.020 345 HD3 PRO 61 HD2 PRO 61 -8.681 17.072 -2.890 346 H PHE 62 H PHE 62 -6.098 12.421 -4.582 347 HA PHE 62 HA PHE 62 -8.276 10.808 -5.578 348 HB2 PHE 62 HB1 PHE 62 -7.609 10.703 -7.861 349 HB3 PHE 62 HB2 PHE 62 -7.720 12.415 -7.446 350 HD1 PHE 62 HD1 PHE 62 -5.774 10.075 -9.093 351 HD2 PHE 62 HD2 PHE 62 -5.425 13.418 -6.483 352 HE1 PHE 62 HE1 PHE 62 -3.463 10.427 -9.859 353 HE2 PHE 62 HE2 PHE 62 -3.114 13.777 -7.246 354 HZ PHE 62 HZ PHE 62 -2.130 12.281 -8.936 355 H CYS 63 H CYS 63 -7.288 8.776 -6.710 356 HA CYS 63 HA CYS 63 -5.170 7.813 -4.930 357 HB2 CYS 63 HB1 CYS 63 -7.567 6.674 -6.030 358 HB3 CYS 63 HB2 CYS 63 -6.179 5.704 -6.532 359 H ALA 64 H ALA 64 -3.160 7.753 -5.660 360 HA ALA 64 HA ALA 64 -2.715 7.514 -8.562 361 HB1 ALA 64 HB1 ALA 64 -1.762 9.412 -6.759 362 HB2 ALA 64 HB2 ALA 64 -0.385 8.359 -7.087 363 HB3 ALA 64 HB3 ALA 64 -1.223 9.155 -8.419 364 H THR 65 H THR 65 -0.961 6.211 -9.299 365 HA THR 65 HA THR 65 -0.712 3.753 -7.851 366 HB THR 65 HB THR 65 1.088 4.269 -10.154 367 HG1 THR 65 HG1 THR 65 -0.469 4.743 -11.509 368 HG21 THR 65 HG21 THR 65 -0.304 2.045 -8.881 369 HG22 THR 65 HG22 THR 65 1.149 2.045 -9.881 370 HG23 THR 65 HG23 THR 65 -0.444 2.030 -10.638 371 H CYS 66 H CYS 66 1.388 2.717 -7.407 372 HA CYS 66 HA CYS 66 2.974 4.267 -5.698 373 HB2 CYS 66 HB1 CYS 66 2.701 1.563 -6.306 374 HB3 CYS 66 HB2 CYS 66 4.368 1.936 -6.751 375 H ARG 67 H ARG 67 5.445 4.347 -5.937 376 HA ARG 67 HA ARG 67 6.046 5.474 -8.588 377 HB2 ARG 67 HB1 ARG 67 7.274 6.038 -5.879 378 HB3 ARG 67 HB2 ARG 67 7.849 6.730 -7.404 379 HG2 ARG 67 HG1 ARG 67 4.977 7.085 -6.718 380 HG3 ARG 67 HG2 ARG 67 6.179 8.027 -5.821 381 HD2 ARG 67 HD1 ARG 67 6.920 8.174 -8.544 382 HD3 ARG 67 HD2 ARG 67 5.173 8.439 -8.471 383 HE ARG 67 HE ARG 67 7.228 10.196 -7.503 384 HH11 ARG 67 HH11 ARG 67 3.894 9.247 -7.181 385 HH12 ARG 67 HH12 ARG 67 3.389 10.769 -6.526 386 HH21 ARG 67 HH21 ARG 67 6.575 12.204 -6.639 387 HH22 ARG 67 HH22 ARG 67 4.914 12.450 -6.218 388 H GLY 68 H GLY 68 8.437 5.362 -9.167 389 HA2 GLY 68 HA2 GLY 68 9.338 2.599 -8.693 390 HA3 GLY 68 HA3 GLY 68 9.748 3.574 -10.096 391 HA1 GLY 68 HA1 GLY 68 9.332 3.198 -8.046 392 H LEU 69 H LEU 69 11.870 2.500 -9.196 393 HA LEU 69 HA LEU 69 13.108 3.742 -6.958 394 HB2 LEU 69 HB1 LEU 69 13.955 1.925 -9.158 395 HB3 LEU 69 HB2 LEU 69 15.216 2.815 -8.287 396 HG LEU 69 HG LEU 69 13.220 0.931 -7.033 397 HD11 LEU 69 HD11 LEU 69 14.797 -0.303 -8.353 398 HD12 LEU 69 HD12 LEU 69 15.225 -0.480 -6.651 399 HD13 LEU 69 HD13 LEU 69 16.145 0.616 -7.682 400 HD21 LEU 69 HD21 LEU 69 13.775 2.567 -5.421 401 HD22 LEU 69 HD22 LEU 69 15.473 2.572 -5.901 402 HD23 LEU 69 HD23 LEU 69 14.795 1.172 -5.069 403 H ARG 70 H ARG 70 12.783 4.571 -10.301 404 HA ARG 70 HA ARG 70 14.855 6.627 -10.103 405 HB2 ARG 70 HB1 ARG 70 13.192 5.706 -12.461 406 HB3 ARG 70 HB2 ARG 70 14.463 6.936 -12.527 407 HG2 ARG 70 HG1 ARG 70 15.924 4.992 -11.484 408 HG3 ARG 70 HG2 ARG 70 14.691 3.990 -12.266 409 HD2 ARG 70 HD1 ARG 70 15.120 5.141 -14.408 410 HD3 ARG 70 HD2 ARG 70 16.381 6.093 -13.613 411 HE ARG 70 HE ARG 70 16.854 3.315 -13.279 412 HH11 ARG 70 HH11 ARG 70 17.059 5.892 -15.610 413 HH12 ARG 70 HH12 ARG 70 18.345 5.155 -16.507 414 HH21 ARG 70 HH21 ARG 70 18.547 2.334 -14.451 415 HH22 ARG 70 HH22 ARG 70 19.190 3.130 -15.847 416 H ARG 71 H ARG 71 11.939 6.515 -8.972 417 HA ARG 71 HA ARG 71 10.984 9.051 -10.099 418 HB2 ARG 71 HB1 ARG 71 9.671 6.792 -8.634 419 HB3 ARG 71 HB2 ARG 71 8.944 8.402 -8.574 420 HG2 ARG 71 HG1 ARG 71 9.571 6.887 -11.108 421 HG3 ARG 71 HG2 ARG 71 7.979 6.985 -10.337 422 HD2 ARG 71 HD1 ARG 71 7.630 8.776 -11.643 423 HD3 ARG 71 HD2 ARG 71 8.702 9.621 -10.517 424 HE ARG 71 HE ARG 71 10.109 8.277 -12.628 425 HH11 ARG 71 HH11 ARG 71 8.430 11.187 -11.717 426 HH12 ARG 71 HH12 ARG 71 9.246 12.179 -12.879 427 HH21 ARG 71 HH21 ARG 71 11.191 9.572 -14.163 428 HH22 ARG 71 HH22 ARG 71 10.817 11.259 -14.271 429 H ARG 72 H ARG 72 10.744 10.869 -8.875 430 HA ARG 72 HA ARG 72 12.315 11.076 -6.505 431 HB2 ARG 72 HB1 ARG 72 10.503 12.974 -7.986 432 HB3 ARG 72 HB2 ARG 72 11.269 13.424 -6.456 433 HG2 ARG 72 HG1 ARG 72 13.146 12.304 -8.397 434 HG3 ARG 72 HG2 ARG 72 12.347 13.788 -8.942 435 HD2 ARG 72 HD1 ARG 72 12.948 14.568 -6.461 436 HD3 ARG 72 HD2 ARG 72 14.224 13.362 -6.684 437 HE ARG 72 HE ARG 72 15.279 14.811 -8.094 438 HH11 ARG 72 HH11 ARG 72 11.934 15.741 -7.841 439 HH12 ARG 72 HH12 ARG 72 12.131 17.190 -8.769 440 HH21 ARG 72 HH21 ARG 72 15.552 16.716 -9.318 441 HH22 ARG 72 HH22 ARG 72 14.189 17.743 -9.610 442 H CYS 73 H CYS 73 11.591 11.739 -4.411 443 HA CYS 73 HA CYS 73 8.780 11.508 -3.766 444 HB2 CYS 73 HB1 CYS 73 9.124 9.731 -2.082 445 HB3 CYS 73 HB2 CYS 73 9.414 9.167 -3.728 446 H GLN 74 H GLN 74 8.269 12.260 -1.661 447 HA GLN 74 HA GLN 74 10.368 13.966 -0.529 448 HB2 GLN 74 HB1 GLN 74 7.486 14.216 -0.914 449 HB3 GLN 74 HB2 GLN 74 7.990 14.626 0.734 450 HG2 GLN 74 HG1 GLN 74 9.826 16.033 -0.540 451 HG3 GLN 74 HG2 GLN 74 8.620 15.977 -1.832 452 HE21 GLN 74 HE21 GLN 74 8.805 16.586 1.659 453 HE22 GLN 74 HE22 GLN 74 7.704 17.916 1.659 454 H ARG 75 H ARG 75 8.334 11.255 0.178 455 HA ARG 75 HA ARG 75 9.664 10.967 2.767 456 HB2 ARG 75 HB1 ARG 75 6.677 10.637 2.401 457 HB3 ARG 75 HB2 ARG 75 7.588 10.411 3.901 458 HG2 ARG 75 HG1 ARG 75 8.038 12.721 4.111 459 HG3 ARG 75 HG2 ARG 75 7.506 13.039 2.452 460 HD2 ARG 75 HD1 ARG 75 5.210 12.199 3.173 461 HD3 ARG 75 HD2 ARG 75 5.823 12.293 4.830 462 HE ARG 75 HE ARG 75 6.154 14.726 3.326 463 HH11 ARG 75 HH11 ARG 75 4.027 12.870 5.365 464 HH12 ARG 75 HH12 ARG 75 3.122 14.247 5.898 465 HH21 ARG 75 HH21 ARG 75 4.968 16.547 4.020 466 HH22 ARG 75 HH22 ARG 75 3.658 16.339 5.131 467 H ASP 76 H ASP 76 9.454 8.767 3.655 468 HA ASP 76 HA ASP 76 9.793 6.820 1.560 469 HB2 ASP 76 HB1 ASP 76 11.316 6.693 3.403 470 HB3 ASP 76 HB2 ASP 76 9.986 6.651 4.569 471 HD2 ASP 76 HD ASP 76 10.300 3.241 4.498 472 H ALA 77 H ALA 77 7.302 7.750 3.777 473 HA ALA 77 HA ALA 77 5.799 5.386 3.871 474 HB1 ALA 77 HB1 ALA 77 4.181 7.806 3.837 475 HB2 ALA 77 HB2 ALA 77 4.392 6.600 5.108 476 HB3 ALA 77 HB3 ALA 77 5.560 7.911 4.932 477 H MET 78 H MET 78 5.692 8.111 1.601 478 HA MET 78 HA MET 78 3.520 7.115 0.075 479 HB2 MET 78 HB1 MET 78 4.263 8.759 -1.637 480 HB3 MET 78 HB2 MET 78 4.068 9.458 -0.022 481 HG2 MET 78 HG1 MET 78 6.261 9.939 0.203 482 HG3 MET 78 HG2 MET 78 6.768 8.487 -0.665 483 HE1 MET 78 HE1 MET 78 5.157 9.270 -3.900 484 HE2 MET 78 HE2 MET 78 6.894 9.172 -4.184 485 HE3 MET 78 HE3 MET 78 6.132 8.103 -3.006 486 H CYS 79 H CYS 79 6.922 6.466 0.096 487 HA CYS 79 HA CYS 79 7.019 5.310 -2.531 488 HB2 CYS 79 HB1 CYS 79 8.885 5.881 -0.364 489 HB3 CYS 79 HB2 CYS 79 9.189 4.309 -1.106 490 H CYS 80 H CYS 80 7.002 3.166 -3.106 491 HA CYS 80 HA CYS 80 5.360 1.407 -1.754 492 HB2 CYS 80 HB1 CYS 80 7.237 1.255 -4.007 493 HB3 CYS 80 HB2 CYS 80 7.023 -0.280 -3.162 494 HA PRO 81 HA PRO 81 7.655 -0.481 1.472 495 HB2 PRO 81 HB1 PRO 81 6.851 -3.095 1.323 496 HB3 PRO 81 HB2 PRO 81 5.813 -1.788 1.892 497 HG2 PRO 81 HG1 PRO 81 5.972 -3.045 -0.828 498 HG3 PRO 81 HG2 PRO 81 4.517 -2.627 0.152 499 HD2 PRO 81 HD1 PRO 81 5.388 -1.089 -1.908 500 HD3 PRO 81 HD2 PRO 81 4.619 -0.409 -0.463 501 H GLY 82 H GLY 82 9.480 -1.735 1.962 502 HA2 GLY 82 HA2 GLY 82 11.227 -3.244 1.498 503 HA3 GLY 82 HA3 GLY 82 10.696 -3.309 -0.176 504 HA1 GLY 82 HA1 GLY 82 11.135 -2.386 1.687 505 H THR 83 H THR 83 10.575 -0.243 -0.042 506 HA THR 83 HA THR 83 13.466 0.186 -0.441 507 HB THR 83 HB THR 83 12.840 1.951 -2.077 508 HG1 THR 83 HG1 THR 83 10.754 2.455 -1.525 509 HG21 THR 83 HG21 THR 83 13.171 -0.634 -2.551 510 HG22 THR 83 HG22 THR 83 12.708 0.485 -3.833 511 HG23 THR 83 HG23 THR 83 11.483 -0.513 -3.049 512 H LEU 84 H LEU 84 14.005 2.621 -0.355 513 HA LEU 84 HA LEU 84 12.465 3.979 1.738 514 HB2 LEU 84 HB1 LEU 84 15.059 2.793 2.044 515 HB3 LEU 84 HB2 LEU 84 15.187 4.553 2.205 516 HG LEU 84 HG LEU 84 14.892 3.337 4.359 517 HD11 LEU 84 HD11 LEU 84 12.745 5.292 3.556 518 HD12 LEU 84 HD12 LEU 84 14.330 5.672 4.229 519 HD13 LEU 84 HD13 LEU 84 13.129 4.844 5.219 520 HD21 LEU 84 HD21 LEU 84 13.213 1.711 3.221 521 HD22 LEU 84 HD22 LEU 84 12.021 2.944 3.630 522 HD23 LEU 84 HD23 LEU 84 12.972 2.179 4.904 523 H CYS 85 H CYS 85 12.387 6.177 1.566 524 HA CYS 85 HA CYS 85 13.115 7.320 -0.949 525 HB2 CYS 85 HB1 CYS 85 11.081 7.898 0.487 526 HB3 CYS 85 HB2 CYS 85 12.188 8.839 1.488 527 H VAL 86 H VAL 86 15.222 7.638 -1.343 528 HA VAL 86 HA VAL 86 16.768 9.160 0.654 529 HB VAL 86 HB VAL 86 17.860 7.094 -1.261 530 HG11 VAL 86 HG11 VAL 86 19.399 8.958 -0.770 531 HG12 VAL 86 HG12 VAL 86 19.242 8.608 0.952 532 HG13 VAL 86 HG13 VAL 86 19.972 7.420 -0.129 533 HG21 VAL 86 HG21 VAL 86 17.137 6.989 1.641 534 HG22 VAL 86 HG22 VAL 86 16.791 5.825 0.361 535 HG23 VAL 86 HG23 VAL 86 18.426 5.969 1.003 536 H ASN 87 H ASN 87 17.901 10.904 -0.050 537 HA ASN 87 HA ASN 87 18.453 12.665 -1.381 538 HB2 ASN 87 HB1 ASN 87 19.899 10.814 -2.339 539 HB3 ASN 87 HB2 ASN 87 18.682 10.637 -3.608 540 HD21 ASN 87 HD21 ASN 87 19.031 11.726 -5.393 541 HD22 ASN 87 HD22 ASN 87 19.982 13.162 -5.544 542 H ASP 88 H ASP 88 15.674 12.070 -1.118 543 HA ASP 88 HA ASP 88 13.669 12.759 -1.944 544 HB2 ASP 88 HB1 ASP 88 15.555 14.606 -2.890 545 HB3 ASP 88 HB2 ASP 88 14.560 14.196 -4.294 546 HD2 ASP 88 HD ASP 88 13.070 16.633 -1.711 547 H VAL 89 H VAL 89 15.043 10.333 -2.966 548 HA VAL 89 HA VAL 89 13.258 9.865 -5.220 549 HB VAL 89 HB VAL 89 16.217 9.288 -5.415 550 HG11 VAL 89 HG11 VAL 89 14.789 7.599 -6.491 551 HG12 VAL 89 HG12 VAL 89 14.017 8.873 -7.437 552 HG13 VAL 89 HG13 VAL 89 15.730 8.520 -7.664 553 HG21 VAL 89 HG21 VAL 89 14.514 11.305 -6.875 554 HG22 VAL 89 HG22 VAL 89 15.772 11.659 -5.690 555 HG23 VAL 89 HG23 VAL 89 16.200 10.938 -7.242 556 H CYS 90 H CYS 90 12.531 7.789 -5.348 557 HA CYS 90 HA CYS 90 12.691 6.142 -3.093 558 HB2 CYS 90 HB1 CYS 90 11.175 6.225 -5.416 559 HB3 CYS 90 HB2 CYS 90 12.050 4.698 -5.548 560 H THR 91 H THR 91 14.491 5.197 -2.394 561 HA THR 91 HA THR 91 16.156 3.759 -4.357 562 HB THR 91 HB THR 91 17.171 5.074 -1.831 563 HG1 THR 91 HG1 THR 91 16.454 6.422 -3.775 564 HG21 THR 91 HG21 THR 91 18.354 3.021 -2.821 565 HG22 THR 91 HG22 THR 91 19.328 4.459 -2.517 566 HG23 THR 91 HG23 THR 91 18.795 4.084 -4.156 567 H THR 92 H THR 92 16.398 1.652 -3.994 568 HA THR 92 HA THR 92 15.010 0.236 -2.069 569 HB THR 92 HB THR 92 17.416 -1.198 -2.760 570 HG1 THR 92 HG1 THR 92 17.699 -0.601 -4.765 571 HG21 THR 92 HG21 THR 92 14.626 -1.539 -3.851 572 HG22 THR 92 HG22 THR 92 15.114 -2.091 -2.249 573 HG23 THR 92 HG23 THR 92 15.881 -2.766 -3.686 574 H MET 93 H MET 93 15.468 -0.598 -0.069 575 HA MET 93 HA MET 93 17.129 0.810 1.652 576 HB2 MET 93 HB1 MET 93 15.718 -1.819 1.778 577 HB3 MET 93 HB2 MET 93 16.912 -1.449 3.030 578 HG2 MET 93 HG1 MET 93 15.309 0.851 2.789 579 HG3 MET 93 HG2 MET 93 14.213 -0.533 2.773 580 HE1 MET 93 HE1 MET 93 15.918 1.762 5.786 581 HE2 MET 93 HE2 MET 93 17.296 0.662 5.788 582 HE3 MET 93 HE3 MET 93 16.801 1.453 4.291 583 H GLU 94 H GLU 94 17.782 -2.045 -0.281 584 HA GLU 94 HA GLU 94 20.194 -2.823 0.932 585 HB2 GLU 94 HB1 GLU 94 19.056 -3.199 -1.831 586 HB3 GLU 94 HB2 GLU 94 20.659 -3.815 -1.401 587 HG2 GLU 94 HG1 GLU 94 18.560 -4.538 0.509 588 HG3 GLU 94 HG2 GLU 94 18.320 -5.181 -1.121 589 HE2 GLU 94 HE GLU 94 20.752 -7.544 -0.667 590 H ASP 95 H ASP 95 19.439 -0.320 -1.366 591 HA ASP 95 HA ASP 95 22.187 0.160 -2.098 592 HB2 ASP 95 HB1 ASP 95 19.599 0.961 -3.043 593 HB3 ASP 95 HB2 ASP 95 20.578 2.405 -2.746 594 HD2 ASP 95 HD ASP 95 21.804 -0.090 -5.581 595 H ALA 96 H ALA 96 19.827 1.518 0.122 596 HA ALA 96 HA ALA 96 21.144 3.876 0.820 597 HB1 ALA 96 HB1 ALA 96 19.845 3.780 2.905 598 HB2 ALA 96 HB2 ALA 96 18.856 3.431 1.488 599 HB3 ALA 96 HB3 ALA 96 19.393 2.116 2.533 600 H THR 97 H THR 97 21.849 4.112 3.301 601 HA THR 97 HA THR 97 23.596 3.861 4.742 602 HB THR 97 HB THR 97 23.122 0.913 4.259 603 HG1 THR 97 HG1 THR 97 21.776 1.114 6.114 604 HG21 THR 97 HG21 THR 97 23.945 1.497 6.909 605 HG22 THR 97 HG22 THR 97 25.077 2.289 5.812 606 HG23 THR 97 HG23 THR 97 24.793 0.553 5.685 607 H GLU 98 H GLU 98 25.081 4.798 3.228 608 HA GLU 98 HA GLU 98 27.261 3.009 2.596 609 HB2 GLU 98 HB1 GLU 98 25.381 3.622 0.594 610 HB3 GLU 98 HB2 GLU 98 26.802 4.620 0.249 611 HG2 GLU 98 HG1 GLU 98 28.229 2.653 0.235 612 HG3 GLU 98 HG2 GLU 98 26.839 1.637 0.643 613 HE2 GLU 98 HE GLU 98 26.131 1.273 -2.675 614 H ASN 99 H ASN 99 29.214 4.020 2.624 615 HA ASN 99 HA ASN 99 29.171 6.889 3.244 616 HB2 ASN 99 HB1 ASN 99 30.407 4.743 4.522 617 HB3 ASN 99 HB2 ASN 99 31.722 5.549 3.658 618 HD21 ASN 99 HD21 ASN 99 29.081 6.103 5.917 619 HD22 ASN 99 HD22 ASN 99 29.808 7.452 6.717 620 H LEU 100 H LEU 100 31.258 8.051 2.573 621 HA LEU 100 HA LEU 100 31.590 7.623 -0.290 622 HB2 LEU 100 HB1 LEU 100 31.821 9.882 1.570 623 HB3 LEU 100 HB2 LEU 100 33.083 9.829 0.326 624 HG LEU 100 HG LEU 100 31.218 11.256 -0.343 625 HD11 LEU 100 HD11 LEU 100 31.016 8.838 -2.083 626 HD12 LEU 100 HD12 LEU 100 32.553 9.690 -1.936 627 HD13 LEU 100 HD13 LEU 100 31.127 10.540 -2.531 628 HD21 LEU 100 HD21 LEU 100 29.257 9.278 -0.946 629 HD22 LEU 100 HD22 LEU 100 29.111 10.708 0.076 630 HD23 LEU 100 HD23 LEU 100 29.656 9.180 0.768 631 H TYR 101 H TYR 101 33.913 8.268 -1.085 632 HA TYR 101 HA TYR 101 35.692 6.291 0.037 633 HB2 TYR 101 HB1 TYR 101 35.614 7.977 -2.420 634 HB3 TYR 101 HB2 TYR 101 37.196 7.417 -1.872 635 HD1 TYR 101 HD1 TYR 101 37.238 4.816 -1.203 636 HD2 TYR 101 HD2 TYR 101 34.516 6.611 -3.936 637 HE1 TYR 101 HE1 TYR 101 36.863 2.626 -2.259 638 HE2 TYR 101 HE2 TYR 101 34.133 4.426 -5.000 639 HH TYR 101 HH TYR 101 34.880 1.567 -3.647 640 H PHE 102 H PHE 102 38.062 6.891 0.279 641 HA PHE 102 HA PHE 102 38.643 9.585 1.108 642 HB2 PHE 102 HB1 PHE 102 39.118 9.139 3.420 643 HB3 PHE 102 HB2 PHE 102 37.464 8.618 3.091 644 HD1 PHE 102 HD1 PHE 102 40.774 7.565 4.094 645 HD2 PHE 102 HD2 PHE 102 36.924 6.215 2.879 646 HE1 PHE 102 HE1 PHE 102 41.285 5.325 4.973 647 HE2 PHE 102 HE2 PHE 102 37.430 3.973 3.757 648 HZ PHE 102 HZ PHE 102 39.612 3.525 4.807 649 H GLN 103 H GLN 103 40.928 9.612 2.167 650 HA GLN 103 HA GLN 103 43.160 9.245 1.928 651 HB2 GLN 103 HB1 GLN 103 42.340 6.948 2.786 652 HB3 GLN 103 HB2 GLN 103 42.564 6.414 1.113 653 HG2 GLN 103 HG1 GLN 103 44.887 7.850 2.065 654 HG3 GLN 103 HG2 GLN 103 44.481 6.489 3.121 655 HE21 GLN 103 HE21 GLN 103 44.119 4.392 2.037 656 HE22 GLN 103 HE22 GLN 103 45.102 4.002 0.672 657 H SER 104 H SER 104 43.667 10.493 0.196 658 HA SER 104 HA SER 104 43.393 9.306 -2.480 659 HB2 SER 104 HB1 SER 104 42.361 11.578 -1.983 660 HB3 SER 104 HB2 SER 104 44.018 12.194 -1.849 661 HG SER 104 HG SER 104 44.049 12.306 -3.935 662 H LEU 105 H LEU 105 45.198 10.213 -4.016 663 HA LEU 105 HA LEU 105 47.769 9.630 -2.710 664 HB2 LEU 105 HB1 LEU 105 46.552 8.851 -5.262 665 HB3 LEU 105 HB2 LEU 105 48.226 9.416 -5.402 666 HG LEU 105 HG LEU 105 47.555 7.331 -3.371 667 HD11 LEU 105 HD11 LEU 105 46.802 5.938 -4.933 668 HD12 LEU 105 HD12 LEU 105 48.438 5.936 -5.588 669 HD13 LEU 105 HD13 LEU 105 47.231 7.046 -6.237 670 HD21 LEU 105 HD21 LEU 105 49.855 8.633 -4.054 671 HD22 LEU 105 HD22 LEU 105 49.977 7.153 -5.005 672 HD23 LEU 105 HD23 LEU 105 49.776 7.062 -3.255 673 H GLU 106 H GLU 106 49.615 10.849 -3.258 674 HA GLU 106 HA GLU 106 49.298 13.215 -4.904 675 HB2 GLU 106 HB1 GLU 106 48.774 13.436 -2.202 676 HB3 GLU 106 HB2 GLU 106 50.470 13.930 -2.324 677 HG2 GLU 106 HG1 GLU 106 49.994 15.841 -3.413 678 HG3 GLU 106 HG2 GLU 106 48.662 15.111 -4.319 679 HE2 GLU 106 HE GLU 106 47.722 17.320 -1.330 680 H HIS 107 H HIS 107 51.467 14.562 -4.672 681 HA HIS 107 HA HIS 107 53.800 12.933 -4.175 682 HB2 HIS 107 HB1 HIS 107 52.660 13.016 -6.784 683 HB3 HIS 107 HB2 HIS 107 54.168 13.937 -6.825 684 HD1 HIS 107 HD1 HIS 107 52.880 10.502 -6.740 685 HD2 HIS 107 HD2 HIS 107 56.502 12.419 -6.063 686 HE1 HIS 107 HE1 HIS 107 54.620 8.686 -6.784 687 HE2 HIS 107 HE2 HIS 107 56.834 9.859 -6.370 688 H HIS 108 H HIS 108 55.817 14.249 -5.068 689 HA HIS 108 HA HIS 108 55.493 17.104 -5.058 690 HB2 HIS 108 HB1 HIS 108 55.867 15.752 -2.569 691 HB3 HIS 108 HB2 HIS 108 57.342 16.653 -2.936 692 HD1 HIS 108 HD1 HIS 108 56.153 19.160 -4.242 693 HD2 HIS 108 HD2 HIS 108 54.672 17.427 -0.770 694 HE1 HIS 108 HE1 HIS 108 54.922 20.998 -3.047 695 HE2 HIS 108 HE2 HIS 108 54.015 19.941 -0.925 696 H HIS 109 H HIS 109 57.705 18.198 -5.043 697 HA HIS 109 HA HIS 109 59.832 16.472 -6.065 698 HB2 HIS 109 HB1 HIS 109 58.570 18.772 -7.560 699 HB3 HIS 109 HB2 HIS 109 60.199 18.194 -7.926 700 HD1 HIS 109 HD1 HIS 109 60.438 15.927 -9.118 701 HD2 HIS 109 HD2 HIS 109 56.503 17.025 -8.362 702 HE1 HIS 109 HE1 HIS 109 59.026 14.346 -10.473 703 HE2 HIS 109 HE2 HIS 109 56.620 15.016 -10.011 704 H HIS 110 H HIS 110 61.834 17.949 -6.563 705 HA HIS 110 HA HIS 110 62.022 20.176 -4.684 706 HB2 HIS 110 HB1 HIS 110 64.201 19.239 -3.812 707 HB3 HIS 110 HB2 HIS 110 62.743 18.394 -3.281 708 HD1 HIS 110 HD1 HIS 110 65.836 17.917 -5.285 709 HD2 HIS 110 HD2 HIS 110 62.386 15.798 -4.349 710 HE1 HIS 110 HE1 HIS 110 66.291 15.546 -5.988 711 HE2 HIS 110 HE2 HIS 110 64.184 14.250 -5.414 712 H HIS 111 H HIS 111 63.030 21.825 -5.615 713 HA HIS 111 HA HIS 111 64.117 21.693 -8.202 714 HB2 HIS 111 HB1 HIS 111 63.963 23.746 -6.051 715 HB3 HIS 111 HB2 HIS 111 65.153 24.007 -7.329 716 HD1 HIS 111 HD1 HIS 111 64.273 24.466 -9.722 717 HD2 HIS 111 HD2 HIS 111 61.292 24.039 -6.860 718 HE1 HIS 111 HE1 HIS 111 62.168 25.302 -10.815 719 HE2 HIS 111 HE2 HIS 111 60.345 25.041 -9.067 720 H HIS 112 H HIS 112 66.376 22.517 -8.722 721 HA HIS 112 HA HIS 112 68.311 21.101 -7.011 722 HB2 HIS 112 HB1 HIS 112 68.048 21.396 -9.974 723 HB3 HIS 112 HB2 HIS 112 69.669 21.242 -9.288 724 HD1 HIS 112 HD1 HIS 112 70.460 18.943 -8.709 725 HD2 HIS 112 HD2 HIS 112 66.360 19.088 -9.364 726 HE1 HIS 112 HE1 HIS 112 69.691 16.549 -8.684 727 HE2 HIS 112 HE2 HIS 112 67.185 16.636 -9.083 Start of MODEL 21 1 H1 MET 18 H MET 18 8.780 31.564 21.021 2 HA MET 18 HA MET 18 6.946 32.919 19.875 3 HB2 MET 18 HB1 MET 18 8.255 32.891 17.738 4 HB3 MET 18 HB2 MET 18 7.841 31.178 17.573 5 HG2 MET 18 HG1 MET 18 5.438 32.651 18.038 6 HG3 MET 18 HG2 MET 18 6.356 33.431 16.746 7 HE1 MET 18 HE1 MET 18 3.458 31.792 15.365 8 HE2 MET 18 HE2 MET 18 4.494 33.217 15.450 9 HE3 MET 18 HE3 MET 18 4.668 32.077 14.115 10 H LEU 19 H LEU 19 5.453 31.971 21.121 11 HA LEU 19 HA LEU 19 4.654 29.231 20.446 12 HB2 LEU 19 HB1 LEU 19 4.987 30.286 23.261 13 HB3 LEU 19 HB2 LEU 19 4.348 28.695 22.811 14 HG LEU 19 HG LEU 19 6.820 28.711 21.606 15 HD11 LEU 19 HD11 LEU 19 7.179 29.906 24.344 16 HD12 LEU 19 HD12 LEU 19 7.291 30.839 22.853 17 HD13 LEU 19 HD13 LEU 19 8.424 29.523 23.154 18 HD21 LEU 19 HD21 LEU 19 6.466 26.746 22.623 19 HD22 LEU 19 HD22 LEU 19 5.542 27.477 23.936 20 HD23 LEU 19 HD23 LEU 19 7.305 27.486 23.987 21 H VAL 20 H VAL 20 3.206 30.976 19.301 22 HA VAL 20 HA VAL 20 1.211 32.283 20.835 23 HB VAL 20 HB VAL 20 1.786 32.959 18.531 24 HG11 VAL 20 HG11 VAL 20 0.133 30.755 17.413 25 HG12 VAL 20 HG12 VAL 20 1.447 31.672 16.673 26 HG13 VAL 20 HG13 VAL 20 1.805 30.406 17.848 27 HG21 VAL 20 HG21 VAL 20 -0.238 33.879 18.294 28 HG22 VAL 20 HG22 VAL 20 -1.031 32.312 18.135 29 HG23 VAL 20 HG23 VAL 20 -0.683 32.965 19.736 30 H LEU 21 H LEU 21 -0.881 31.707 21.316 31 HA LEU 21 HA LEU 21 -1.440 29.052 21.908 32 HB2 LEU 21 HB1 LEU 21 -3.161 31.492 21.587 33 HB3 LEU 21 HB2 LEU 21 -3.881 29.909 21.935 34 HG LEU 21 HG LEU 21 -1.701 30.805 23.730 35 HD11 LEU 21 HD11 LEU 21 -2.665 32.838 23.946 36 HD12 LEU 21 HD12 LEU 21 -3.754 31.944 25.006 37 HD13 LEU 21 HD13 LEU 21 -4.228 32.285 23.342 38 HD21 LEU 21 HD21 LEU 21 -3.793 28.870 23.680 39 HD22 LEU 21 HD22 LEU 21 -4.036 29.938 25.063 40 HD23 LEU 21 HD23 LEU 21 -2.506 29.081 24.867 41 H ASP 22 H ASP 22 -2.025 27.370 20.713 42 HA ASP 22 HA ASP 22 -3.476 27.826 18.205 43 HB2 ASP 22 HB1 ASP 22 -0.951 27.478 17.872 44 HB3 ASP 22 HB2 ASP 22 -1.246 25.809 18.376 45 HD2 ASP 22 HD ASP 22 -1.590 26.074 14.746 46 H PHE 23 H PHE 23 -5.374 26.878 18.573 47 HA PHE 23 HA PHE 23 -5.580 24.076 18.896 48 HB2 PHE 23 HB1 PHE 23 -5.417 25.616 21.321 49 HB3 PHE 23 HB2 PHE 23 -7.025 24.902 21.187 50 HD1 PHE 23 HD1 PHE 23 -7.154 22.383 20.645 51 HD2 PHE 23 HD2 PHE 23 -3.665 24.317 22.127 52 HE1 PHE 23 HE1 PHE 23 -6.287 20.215 21.420 53 HE2 PHE 23 HE2 PHE 23 -2.791 22.153 22.904 54 HZ PHE 23 HZ PHE 23 -4.102 20.098 22.551 55 H ASN 24 H ASN 24 -7.184 27.198 19.317 56 HA ASN 24 HA ASN 24 -9.200 27.988 18.620 57 HB2 ASN 24 HB1 ASN 24 -8.273 26.249 16.568 58 HB3 ASN 24 HB2 ASN 24 -10.012 25.990 16.742 59 HD21 ASN 24 HD21 ASN 24 -7.592 28.532 16.372 60 HD22 ASN 24 HD22 ASN 24 -8.608 29.616 15.489 61 H ASN 25 H ASN 25 -11.593 27.252 18.234 62 HA ASN 25 HA ASN 25 -12.462 24.827 19.416 63 HB2 ASN 25 HB1 ASN 25 -12.081 27.176 21.170 64 HB3 ASN 25 HB2 ASN 25 -13.648 26.372 21.319 65 HD21 ASN 25 HD21 ASN 25 -10.557 26.414 22.442 66 HD22 ASN 25 HD22 ASN 25 -10.473 24.823 23.108 67 H ILE 26 H ILE 26 -13.816 24.724 17.649 68 HA ILE 26 HA ILE 26 -15.730 26.881 17.210 69 HB ILE 26 HB ILE 26 -14.587 25.847 15.268 70 HG12 ILE 26 HG11 ILE 26 -17.141 25.023 14.406 71 HG13 ILE 26 HG12 ILE 26 -17.416 26.284 15.621 72 HG21 ILE 26 HG21 ILE 26 -14.781 23.639 14.679 73 HG22 ILE 26 HG22 ILE 26 -14.792 23.508 16.437 74 HG23 ILE 26 HG23 ILE 26 -16.307 23.431 15.538 75 HD11 ILE 26 HD11 ILE 26 -16.736 26.626 12.925 76 HD12 ILE 26 HD12 ILE 26 -16.887 27.864 14.172 77 HD13 ILE 26 HD13 ILE 26 -15.323 27.112 13.862 78 H ARG 27 H ARG 27 -15.575 23.604 18.406 79 HA ARG 27 HA ARG 27 -17.123 22.214 19.335 80 HB2 ARG 27 HB1 ARG 27 -17.150 24.167 20.912 81 HB3 ARG 27 HB2 ARG 27 -18.561 24.777 20.035 82 HG2 ARG 27 HG1 ARG 27 -19.352 22.231 20.587 83 HG3 ARG 27 HG2 ARG 27 -18.360 22.620 22.003 84 HD2 ARG 27 HD1 ARG 27 -19.740 24.886 21.912 85 HD3 ARG 27 HD2 ARG 27 -20.899 23.852 21.066 86 HE ARG 27 HE ARG 27 -20.044 22.585 23.438 87 HH11 ARG 27 HH11 ARG 27 -22.025 25.221 22.322 88 HH12 ARG 27 HH12 ARG 27 -23.088 25.173 23.688 89 HH21 ARG 27 HH21 ARG 27 -21.437 22.512 25.243 90 HH22 ARG 27 HH22 ARG 27 -22.752 23.632 25.349 91 H SER 28 H SER 28 -17.603 21.721 16.983 92 HA SER 28 HA SER 28 -20.437 21.601 16.645 93 HB2 SER 28 HB1 SER 28 -19.659 23.948 15.792 94 HB3 SER 28 HB2 SER 28 -19.048 23.034 14.400 95 HG SER 28 HG SER 28 -21.077 23.479 13.812 96 H SER 29 H SER 29 -19.529 19.389 16.793 97 HA SER 29 HA SER 29 -18.914 18.395 14.105 98 HB2 SER 29 HB1 SER 29 -17.271 16.784 15.076 99 HB3 SER 29 HB2 SER 29 -16.762 18.476 15.216 100 HG SER 29 HG SER 29 -17.900 16.860 17.250 101 H ALA 30 H ALA 30 -21.140 17.790 14.083 102 HA ALA 30 HA ALA 30 -21.687 15.373 15.678 103 HB1 ALA 30 HB1 ALA 30 -24.167 16.451 15.007 104 HB2 ALA 30 HB2 ALA 30 -23.407 16.434 16.599 105 HB3 ALA 30 HB3 ALA 30 -23.195 17.825 15.535 106 H ASP 31 H ASP 31 -22.640 13.662 14.632 107 HA ASP 31 HA ASP 31 -22.440 13.676 11.749 108 HB2 ASP 31 HB1 ASP 31 -21.688 11.769 13.247 109 HB3 ASP 31 HB2 ASP 31 -23.402 11.413 13.498 110 HD2 ASP 31 HD ASP 31 -23.425 9.563 10.636 111 H LEU 32 H LEU 32 -24.291 15.434 12.037 112 HA LEU 32 HA LEU 32 -26.919 14.145 12.024 113 HB2 LEU 32 HB1 LEU 32 -26.079 17.046 12.082 114 HB3 LEU 32 HB2 LEU 32 -27.763 16.502 11.965 115 HG LEU 32 HG LEU 32 -26.009 15.693 14.265 116 HD11 LEU 32 HD11 LEU 32 -27.809 18.105 14.201 117 HD12 LEU 32 HD12 LEU 32 -26.055 18.179 14.040 118 HD13 LEU 32 HD13 LEU 32 -26.779 17.565 15.526 119 HD21 LEU 32 HD21 LEU 32 -27.893 14.875 15.199 120 HD22 LEU 32 HD22 LEU 32 -28.424 14.778 13.520 121 HD23 LEU 32 HD23 LEU 32 -28.911 16.146 14.523 122 H HIS 33 H HIS 33 -24.780 16.081 9.988 123 HA HIS 33 HA HIS 33 -26.124 15.054 7.627 124 HB2 HIS 33 HB1 HIS 33 -26.476 17.234 6.613 125 HB3 HIS 33 HB2 HIS 33 -27.353 17.132 8.144 126 HD1 HIS 33 HD1 HIS 33 -24.208 18.672 6.714 127 HD2 HIS 33 HD2 HIS 33 -26.736 19.059 9.989 128 HE1 HIS 33 HE1 HIS 33 -23.446 20.748 7.909 129 HE2 HIS 33 HE2 HIS 33 -24.991 20.987 9.910 130 H GLY 34 H GLY 34 -24.932 15.648 5.612 131 HA2 GLY 34 HA2 GLY 34 -22.442 16.838 5.501 132 HA3 GLY 34 HA3 GLY 34 -22.144 15.176 5.986 133 HA1 GLY 34 HA1 GLY 34 -23.222 16.776 5.092 134 H ALA 35 H ALA 35 -23.585 17.194 3.471 135 HA ALA 35 HA ALA 35 -24.069 15.102 1.628 136 HB1 ALA 35 HB1 ALA 35 -23.521 17.627 0.340 137 HB2 ALA 35 HB2 ALA 35 -25.032 16.725 0.452 138 HB3 ALA 35 HB3 ALA 35 -24.572 17.837 1.741 139 H ARG 36 H ARG 36 -21.341 17.317 2.087 140 HA ARG 36 HA ARG 36 -19.210 17.307 1.292 141 HB2 ARG 36 HB1 ARG 36 -19.881 14.369 1.227 142 HB3 ARG 36 HB2 ARG 36 -18.290 14.972 0.745 143 HG2 ARG 36 HG1 ARG 36 -18.564 16.209 3.135 144 HG3 ARG 36 HG2 ARG 36 -19.478 14.716 3.419 145 HD2 ARG 36 HD1 ARG 36 -17.477 13.814 3.912 146 HD3 ARG 36 HD2 ARG 36 -17.264 13.760 2.156 147 HE ARG 36 HE ARG 36 -15.633 15.337 2.362 148 HH11 ARG 36 HH11 ARG 36 -17.660 15.461 5.190 149 HH12 ARG 36 HH12 ARG 36 -16.675 16.633 6.004 150 HH21 ARG 36 HH21 ARG 36 -14.329 16.880 3.423 151 HH22 ARG 36 HH22 ARG 36 -14.782 17.440 4.997 152 H LYS 37 H LYS 37 -17.831 16.256 -0.676 153 HA LYS 37 HA LYS 37 -19.466 16.747 -3.077 154 HB2 LYS 37 HB1 LYS 37 -17.557 18.353 -2.429 155 HB3 LYS 37 HB2 LYS 37 -16.475 17.052 -2.950 156 HG2 LYS 37 HG1 LYS 37 -18.636 17.920 -4.810 157 HG3 LYS 37 HG2 LYS 37 -17.218 18.962 -4.598 158 HD2 LYS 37 HD1 LYS 37 -15.749 17.044 -5.140 159 HD3 LYS 37 HD2 LYS 37 -17.193 16.062 -5.432 160 HE2 LYS 37 HE1 LYS 37 -17.196 16.772 -7.545 161 HE3 LYS 37 HE2 LYS 37 -17.551 18.396 -6.940 162 HZ1 LYS 37 HZ1 LYS 37 -15.499 18.053 -8.414 163 HZ2 LYS 37 HZ2 LYS 37 -14.772 17.417 -7.026 164 HZ3 LYS 37 HZ3 LYS 37 -15.338 19.011 -7.029 165 H GLY 38 H GLY 38 -16.688 14.881 -1.866 166 HA2 GLY 38 HA2 GLY 38 -17.270 12.389 -2.556 167 HA3 GLY 38 HA3 GLY 38 -16.895 13.059 -4.137 168 HA1 GLY 38 HA1 GLY 38 -16.814 12.914 -2.018 169 H SER 39 H SER 39 -15.612 12.194 -1.000 170 HA SER 39 HA SER 39 -12.897 12.869 -1.758 171 HB2 SER 39 HB1 SER 39 -14.041 11.540 0.718 172 HB3 SER 39 HB2 SER 39 -12.325 11.925 0.490 173 HG SER 39 HG SER 39 -13.275 13.610 1.606 174 H GLN 40 H GLN 40 -11.712 11.566 -2.972 175 HA GLN 40 HA GLN 40 -12.429 8.954 -3.689 176 HB2 GLN 40 HB1 GLN 40 -10.889 10.538 -4.934 177 HB3 GLN 40 HB2 GLN 40 -9.629 10.069 -3.783 178 HG2 GLN 40 HG1 GLN 40 -9.186 8.657 -5.534 179 HG3 GLN 40 HG2 GLN 40 -10.222 7.650 -4.512 180 HE21 GLN 40 HE21 GLN 40 -9.818 9.083 -7.559 181 HE22 GLN 40 HE22 GLN 40 -11.326 8.605 -8.252 182 H CYS 41 H CYS 41 -9.648 9.957 -1.688 183 HA CYS 41 HA CYS 41 -10.077 7.626 0.018 184 HB2 CYS 41 HB1 CYS 41 -7.619 7.103 -0.071 185 HB3 CYS 41 HB2 CYS 41 -8.508 6.743 -1.551 186 H LEU 42 H LEU 42 -9.448 7.912 2.121 187 HA LEU 42 HA LEU 42 -8.658 10.634 2.844 188 HB2 LEU 42 HB1 LEU 42 -10.676 9.312 3.817 189 HB3 LEU 42 HB2 LEU 42 -9.440 8.510 4.801 190 HG LEU 42 HG LEU 42 -9.542 11.489 4.797 191 HD11 LEU 42 HD11 LEU 42 -11.892 10.379 5.120 192 HD12 LEU 42 HD12 LEU 42 -11.353 11.672 6.191 193 HD13 LEU 42 HD13 LEU 42 -11.258 9.992 6.719 194 HD21 LEU 42 HD21 LEU 42 -9.123 9.626 7.108 195 HD22 LEU 42 HD22 LEU 42 -8.561 11.284 6.901 196 HD23 LEU 42 HD23 LEU 42 -7.822 9.979 5.972 197 H SER 43 H SER 43 -7.632 7.288 3.176 198 HA SER 43 HA SER 43 -5.037 8.258 4.171 199 HB2 SER 43 HB1 SER 43 -6.767 6.857 5.740 200 HB3 SER 43 HB2 SER 43 -5.831 5.538 5.012 201 HG SER 43 HG SER 43 -4.713 7.787 6.339 202 H ASP 44 H ASP 44 -3.397 6.306 4.006 203 HA ASP 44 HA ASP 44 -3.196 5.708 1.216 204 HB2 ASP 44 HB1 ASP 44 -1.477 4.456 3.350 205 HB3 ASP 44 HB2 ASP 44 -1.046 4.888 1.690 206 HD2 ASP 44 HD ASP 44 -0.267 8.134 2.563 207 H THR 45 H THR 45 -4.301 4.011 4.037 208 HA THR 45 HA THR 45 -4.283 1.424 2.724 209 HB THR 45 HB THR 45 -5.292 0.576 4.798 210 HG1 THR 45 HG1 THR 45 -6.439 2.025 5.844 211 HG21 THR 45 HG21 THR 45 -2.867 2.340 5.046 212 HG22 THR 45 HG22 THR 45 -2.934 0.590 4.839 213 HG23 THR 45 HG23 THR 45 -3.423 1.317 6.369 214 H ASP 46 H ASP 46 -6.145 4.030 2.333 215 HA ASP 46 HA ASP 46 -8.770 2.885 2.514 216 HB2 ASP 46 HB1 ASP 46 -7.785 5.451 2.366 217 HB3 ASP 46 HB2 ASP 46 -8.456 5.208 0.748 218 HD2 ASP 46 HD ASP 46 -11.625 5.673 1.916 219 H CYS 47 H CYS 47 -6.283 3.063 0.107 220 HA CYS 47 HA CYS 47 -8.032 2.388 -2.091 221 HB2 CYS 47 HB1 CYS 47 -5.414 3.435 -1.804 222 HB3 CYS 47 HB2 CYS 47 -5.259 1.907 -2.675 223 H ASN 48 H ASN 48 -5.319 0.752 -0.449 224 HA ASN 48 HA ASN 48 -4.797 -1.448 -0.196 225 HB2 ASN 48 HB1 ASN 48 -7.478 -1.156 0.500 226 HB3 ASN 48 HB2 ASN 48 -7.465 -2.550 -0.588 227 HD21 ASN 48 HD21 ASN 48 -6.418 -4.422 0.010 228 HD22 ASN 48 HD22 ASN 48 -5.868 -4.709 1.623 229 H THR 49 H THR 49 -5.037 -0.247 -2.922 230 HA THR 49 HA THR 49 -5.327 -2.757 -4.442 231 HB THR 49 HB THR 49 -5.634 -0.037 -5.688 232 HG1 THR 49 HG1 THR 49 -7.765 -1.655 -4.710 233 HG21 THR 49 HG21 THR 49 -5.435 -2.549 -6.770 234 HG22 THR 49 HG22 THR 49 -6.174 -1.156 -7.558 235 HG23 THR 49 HG23 THR 49 -7.179 -2.311 -6.684 236 H ARG 50 H ARG 50 -2.932 -1.920 -3.137 237 HA ARG 50 HA ARG 50 -0.698 -1.783 -3.536 238 HB2 ARG 50 HB1 ARG 50 -1.317 -2.177 -6.464 239 HB3 ARG 50 HB2 ARG 50 0.159 -2.612 -5.590 240 HG2 ARG 50 HG1 ARG 50 -0.637 -4.665 -5.361 241 HG3 ARG 50 HG2 ARG 50 -1.895 -4.002 -4.305 242 HD2 ARG 50 HD1 ARG 50 -3.435 -3.773 -6.091 243 HD3 ARG 50 HD2 ARG 50 -2.167 -4.023 -7.298 244 HE ARG 50 HE ARG 50 -2.488 -6.270 -7.095 245 HH11 ARG 50 HH11 ARG 50 -3.740 -4.707 -4.247 246 HH12 ARG 50 HH12 ARG 50 -4.403 -6.161 -3.580 247 HH21 ARG 50 HH21 ARG 50 -3.358 -8.192 -6.228 248 HH22 ARG 50 HH22 ARG 50 -4.183 -8.144 -4.708 249 H LYS 51 H LYS 51 -2.249 0.600 -3.516 250 HA LYS 51 HA LYS 51 -0.407 2.344 -4.942 251 HB2 LYS 51 HB1 LYS 51 -3.405 2.388 -5.333 252 HB3 LYS 51 HB2 LYS 51 -2.352 3.750 -5.752 253 HG2 LYS 51 HG1 LYS 51 -1.075 2.183 -7.251 254 HG3 LYS 51 HG2 LYS 51 -2.362 0.998 -6.963 255 HD2 LYS 51 HD1 LYS 51 -3.272 3.693 -7.769 256 HD3 LYS 51 HD2 LYS 51 -2.378 2.780 -8.996 257 HE2 LYS 51 HE1 LYS 51 -3.968 1.109 -9.125 258 HE3 LYS 51 HE2 LYS 51 -4.552 1.411 -7.482 259 HZ1 LYS 51 HZ1 LYS 51 -6.002 2.945 -8.188 260 HZ2 LYS 51 HZ2 LYS 51 -5.809 2.219 -9.704 261 HZ3 LYS 51 HZ3 LYS 51 -4.932 3.613 -9.316 262 H PHE 52 H PHE 52 -0.127 4.340 -3.981 263 HA PHE 52 HA PHE 52 -1.208 4.560 -1.279 264 HB2 PHE 52 HB1 PHE 52 0.510 6.293 -0.950 265 HB3 PHE 52 HB2 PHE 52 1.208 4.780 -1.531 266 HD1 PHE 52 HD1 PHE 52 0.404 8.238 -2.434 267 HD2 PHE 52 HD2 PHE 52 2.215 4.600 -3.700 268 HE1 PHE 52 HE1 PHE 52 1.477 9.426 -4.301 269 HE2 PHE 52 HE2 PHE 52 3.291 5.783 -5.570 270 HZ PHE 52 HZ PHE 52 2.925 8.200 -5.871 271 H CYS 53 H CYS 53 -2.289 6.376 -0.508 272 HA CYS 53 HA CYS 53 -3.824 7.797 -2.505 273 HB2 CYS 53 HB1 CYS 53 -4.935 6.914 -0.509 274 HB3 CYS 53 HB2 CYS 53 -3.911 7.922 0.516 275 H LEU 54 H LEU 54 -2.841 9.458 -3.475 276 HA LEU 54 HA LEU 54 -1.044 11.185 -1.963 277 HB2 LEU 54 HB1 LEU 54 -0.294 10.432 -4.139 278 HB3 LEU 54 HB2 LEU 54 -1.755 11.098 -4.891 279 HG LEU 54 HG LEU 54 -0.685 13.314 -3.708 280 HD11 LEU 54 HD11 LEU 54 1.692 12.022 -4.957 281 HD12 LEU 54 HD12 LEU 54 1.331 11.711 -3.260 282 HD13 LEU 54 HD13 LEU 54 1.606 13.362 -3.813 283 HD21 LEU 54 HD21 LEU 54 -0.427 12.161 -6.466 284 HD22 LEU 54 HD22 LEU 54 0.224 13.750 -6.062 285 HD23 LEU 54 HD23 LEU 54 -1.503 13.435 -5.894 286 H GLN 55 H GLN 55 -1.449 13.277 -1.450 287 HA GLN 55 HA GLN 55 -4.023 14.415 -2.312 288 HB2 GLN 55 HB1 GLN 55 -4.070 15.521 -0.006 289 HB3 GLN 55 HB2 GLN 55 -4.450 13.794 -0.085 290 HG2 GLN 55 HG1 GLN 55 -2.192 13.235 0.641 291 HG3 GLN 55 HG2 GLN 55 -1.783 14.954 0.690 292 HE21 GLN 55 HE21 GLN 55 -2.153 16.061 2.496 293 HE22 GLN 55 HE22 GLN 55 -3.031 15.476 3.864 294 HA PRO 56 HA PRO 56 -0.730 17.385 -3.457 295 HB2 PRO 56 HB1 PRO 56 -2.040 18.307 -5.678 296 HB3 PRO 56 HB2 PRO 56 -1.048 16.852 -5.669 297 HG2 PRO 56 HG1 PRO 56 -4.023 17.128 -5.403 298 HG3 PRO 56 HG2 PRO 56 -3.070 15.977 -6.413 299 HD2 PRO 56 HD1 PRO 56 -4.206 15.262 -4.052 300 HD3 PRO 56 HD2 PRO 56 -2.670 14.583 -4.620 301 H ARG 57 H ARG 57 -0.671 19.621 -3.244 302 HA ARG 57 HA ARG 57 -2.881 20.775 -1.780 303 HB2 ARG 57 HB1 ARG 57 -0.322 21.058 -1.356 304 HB3 ARG 57 HB2 ARG 57 -0.437 22.301 -2.611 305 HG2 ARG 57 HG1 ARG 57 -2.485 23.076 -1.065 306 HG3 ARG 57 HG2 ARG 57 -1.459 22.306 0.157 307 HD2 ARG 57 HD1 ARG 57 0.464 23.691 -0.769 308 HD3 ARG 57 HD2 ARG 57 -0.762 24.589 -1.672 309 HE ARG 57 HE ARG 57 -1.577 24.573 0.979 310 HH11 ARG 57 HH11 ARG 57 1.099 25.771 -0.899 311 HH12 ARG 57 HH12 ARG 57 1.403 27.115 0.152 312 HH21 ARG 57 HH21 ARG 57 -1.187 26.338 2.370 313 HH22 ARG 57 HH22 ARG 57 0.103 27.436 2.012 314 H ASP 58 H ASP 58 -1.566 20.903 -4.986 315 HA ASP 58 HA ASP 58 -3.097 23.276 -5.691 316 HB2 ASP 58 HB1 ASP 58 -0.980 21.631 -6.998 317 HB3 ASP 58 HB2 ASP 58 -2.097 22.513 -8.046 318 HD2 ASP 58 HD ASP 58 0.416 24.632 -5.824 319 H GLU 59 H GLU 59 -3.345 19.842 -5.850 320 HA GLU 59 HA GLU 59 -5.793 20.112 -7.468 321 HB2 GLU 59 HB1 GLU 59 -3.474 18.434 -7.868 322 HB3 GLU 59 HB2 GLU 59 -4.930 17.447 -7.660 323 HG2 GLU 59 HG1 GLU 59 -5.253 17.752 -9.842 324 HG3 GLU 59 HG2 GLU 59 -5.795 19.374 -9.388 325 HE2 GLU 59 HE GLU 59 -2.213 20.219 -10.150 326 H LYS 60 H LYS 60 -7.051 17.840 -7.167 327 HA LYS 60 HA LYS 60 -7.745 17.809 -4.351 328 HB2 LYS 60 HB1 LYS 60 -9.017 16.998 -6.890 329 HB3 LYS 60 HB2 LYS 60 -9.388 15.966 -5.499 330 HG2 LYS 60 HG1 LYS 60 -10.796 17.459 -4.651 331 HG3 LYS 60 HG2 LYS 60 -9.599 18.757 -4.803 332 HD2 LYS 60 HD1 LYS 60 -10.298 19.351 -6.938 333 HD3 LYS 60 HD2 LYS 60 -11.049 17.772 -7.228 334 HE2 LYS 60 HE1 LYS 60 -13.019 18.470 -6.442 335 HE3 LYS 60 HE2 LYS 60 -12.264 19.075 -4.961 336 HZ1 LYS 60 HZ1 LYS 60 -12.399 20.539 -7.542 337 HZ2 LYS 60 HZ2 LYS 60 -11.688 21.115 -6.121 338 HZ3 LYS 60 HZ3 LYS 60 -13.357 20.848 -6.182 339 HA PRO 61 HA PRO 61 -5.790 14.054 -3.200 340 HB2 PRO 61 HB1 PRO 61 -7.669 12.871 -1.598 341 HB3 PRO 61 HB2 PRO 61 -6.748 14.298 -1.126 342 HG2 PRO 61 HG1 PRO 61 -9.511 14.114 -2.279 343 HG3 PRO 61 HG2 PRO 61 -8.917 15.104 -0.894 344 HD2 PRO 61 HD1 PRO 61 -9.333 16.144 -3.367 345 HD3 PRO 61 HD2 PRO 61 -8.042 16.714 -2.294 346 H PHE 62 H PHE 62 -5.443 12.133 -4.137 347 HA PHE 62 HA PHE 62 -7.592 10.405 -4.944 348 HB2 PHE 62 HB1 PHE 62 -7.220 10.392 -7.295 349 HB3 PHE 62 HB2 PHE 62 -7.402 12.083 -6.825 350 HD1 PHE 62 HD1 PHE 62 -5.382 9.775 -8.568 351 HD2 PHE 62 HD2 PHE 62 -5.218 13.394 -6.334 352 HE1 PHE 62 HE1 PHE 62 -3.221 10.318 -9.613 353 HE2 PHE 62 HE2 PHE 62 -3.058 13.943 -7.375 354 HZ PHE 62 HZ PHE 62 -2.056 12.405 -9.017 355 H CYS 63 H CYS 63 -6.744 8.378 -5.957 356 HA CYS 63 HA CYS 63 -4.382 7.536 -4.524 357 HB2 CYS 63 HB1 CYS 63 -6.675 6.265 -5.078 358 HB3 CYS 63 HB2 CYS 63 -5.723 5.721 -6.461 359 H ALA 64 H ALA 64 -2.393 7.303 -5.324 360 HA ALA 64 HA ALA 64 -2.036 7.625 -8.232 361 HB1 ALA 64 HB1 ALA 64 0.330 8.325 -7.531 362 HB2 ALA 64 HB2 ALA 64 -0.990 9.456 -7.227 363 HB3 ALA 64 HB3 ALA 64 -0.343 8.481 -5.908 364 H THR 65 H THR 65 -0.509 6.337 -9.309 365 HA THR 65 HA THR 65 -0.332 3.659 -8.373 366 HB THR 65 HB THR 65 1.532 4.335 -10.522 367 HG1 THR 65 HG1 THR 65 -0.043 5.026 -11.979 368 HG21 THR 65 HG21 THR 65 0.294 2.108 -9.761 369 HG22 THR 65 HG22 THR 65 0.747 2.395 -11.442 370 HG23 THR 65 HG23 THR 65 -0.910 2.685 -10.914 371 H CYS 66 H CYS 66 1.780 2.450 -8.348 372 HA CYS 66 HA CYS 66 3.442 3.456 -6.324 373 HB2 CYS 66 HB1 CYS 66 3.048 1.008 -7.546 374 HB3 CYS 66 HB2 CYS 66 4.696 1.427 -8.019 375 H ARG 67 H ARG 67 5.686 4.015 -6.391 376 HA ARG 67 HA ARG 67 6.420 5.387 -8.886 377 HB2 ARG 67 HB1 ARG 67 6.554 6.112 -6.079 378 HB3 ARG 67 HB2 ARG 67 8.131 6.268 -6.865 379 HG2 ARG 67 HG1 ARG 67 7.395 8.320 -7.402 380 HG3 ARG 67 HG2 ARG 67 6.558 7.460 -8.704 381 HD2 ARG 67 HD1 ARG 67 4.652 8.311 -7.908 382 HD3 ARG 67 HD2 ARG 67 4.850 7.208 -6.539 383 HE ARG 67 HE ARG 67 5.374 8.998 -5.216 384 HH11 ARG 67 HH11 ARG 67 5.665 9.932 -8.557 385 HH12 ARG 67 HH12 ARG 67 5.916 11.609 -8.202 386 HH21 ARG 67 HH21 ARG 67 5.703 11.204 -4.736 387 HH22 ARG 67 HH22 ARG 67 5.938 12.331 -6.028 388 H GLY 68 H GLY 68 8.208 4.818 -9.976 389 HA2 GLY 68 HA2 GLY 68 9.557 2.411 -9.357 390 HA3 GLY 68 HA3 GLY 68 10.024 3.560 -10.603 391 HA1 GLY 68 HA1 GLY 68 9.446 2.932 -8.655 392 H LEU 69 H LEU 69 12.024 2.319 -9.361 393 HA LEU 69 HA LEU 69 12.959 3.524 -6.985 394 HB2 LEU 69 HB1 LEU 69 14.100 1.803 -9.119 395 HB3 LEU 69 HB2 LEU 69 15.242 2.708 -8.113 396 HG LEU 69 HG LEU 69 13.190 0.743 -7.099 397 HD11 LEU 69 HD11 LEU 69 15.599 0.224 -8.350 398 HD12 LEU 69 HD12 LEU 69 14.705 -0.872 -7.295 399 HD13 LEU 69 HD13 LEU 69 15.985 0.143 -6.630 400 HD21 LEU 69 HD21 LEU 69 14.772 2.791 -5.795 401 HD22 LEU 69 HD22 LEU 69 15.116 1.183 -5.158 402 HD23 LEU 69 HD23 LEU 69 13.463 1.798 -5.156 403 H ARG 70 H ARG 70 13.054 4.493 -10.308 404 HA ARG 70 HA ARG 70 15.010 6.595 -9.740 405 HB2 ARG 70 HB1 ARG 70 13.812 5.519 -12.291 406 HB3 ARG 70 HB2 ARG 70 14.762 7.012 -12.252 407 HG2 ARG 70 HG1 ARG 70 16.474 5.395 -10.977 408 HG3 ARG 70 HG2 ARG 70 15.635 4.206 -11.987 409 HD2 ARG 70 HD1 ARG 70 16.261 5.282 -13.989 410 HD3 ARG 70 HD2 ARG 70 16.717 6.761 -13.132 411 HE ARG 70 HE ARG 70 18.370 4.501 -13.614 412 HH11 ARG 70 HH11 ARG 70 17.703 7.005 -11.289 413 HH12 ARG 70 HH12 ARG 70 19.303 6.996 -10.625 414 HH21 ARG 70 HH21 ARG 70 20.481 4.480 -12.748 415 HH22 ARG 70 HH22 ARG 70 20.883 5.560 -11.457 416 H ARG 71 H ARG 71 11.964 6.351 -9.056 417 HA ARG 71 HA ARG 71 11.027 8.834 -10.281 418 HB2 ARG 71 HB1 ARG 71 9.776 6.426 -9.299 419 HB3 ARG 71 HB2 ARG 71 9.072 7.850 -8.519 420 HG2 ARG 71 HG1 ARG 71 9.389 7.638 -11.506 421 HG3 ARG 71 HG2 ARG 71 7.955 7.056 -10.643 422 HD2 ARG 71 HD1 ARG 71 8.303 9.594 -9.610 423 HD3 ARG 71 HD2 ARG 71 8.760 9.778 -11.309 424 HE ARG 71 HE ARG 71 6.283 8.362 -10.906 425 HH11 ARG 71 HH11 ARG 71 7.793 11.472 -11.319 426 HH12 ARG 71 HH12 ARG 71 6.353 12.239 -11.902 427 HH21 ARG 71 HH21 ARG 71 4.381 9.361 -11.671 428 HH22 ARG 71 HH22 ARG 71 4.412 11.037 -12.100 429 H ARG 72 H ARG 72 10.678 10.693 -9.168 430 HA ARG 72 HA ARG 72 12.044 11.063 -6.704 431 HB2 ARG 72 HB1 ARG 72 10.036 12.955 -7.936 432 HB3 ARG 72 HB2 ARG 72 11.383 13.351 -6.857 433 HG2 ARG 72 HG1 ARG 72 12.503 12.047 -9.096 434 HG3 ARG 72 HG2 ARG 72 11.340 13.235 -9.706 435 HD2 ARG 72 HD1 ARG 72 12.595 14.669 -7.749 436 HD3 ARG 72 HD2 ARG 72 13.905 13.637 -8.339 437 HE ARG 72 HE ARG 72 12.660 14.705 -10.575 438 HH11 ARG 72 HH11 ARG 72 14.423 15.853 -7.801 439 HH12 ARG 72 HH12 ARG 72 15.059 17.243 -8.618 440 HH21 ARG 72 HH21 ARG 72 13.492 16.530 -11.661 441 HH22 ARG 72 HH22 ARG 72 14.528 17.627 -10.813 442 H CYS 73 H CYS 73 11.129 11.822 -4.701 443 HA CYS 73 HA CYS 73 8.299 11.299 -4.255 444 HB2 CYS 73 HB1 CYS 73 8.883 9.908 -2.213 445 HB3 CYS 73 HB2 CYS 73 9.122 9.129 -3.779 446 H GLN 74 H GLN 74 7.600 11.988 -2.075 447 HA GLN 74 HA GLN 74 9.295 14.181 -1.076 448 HB2 GLN 74 HB1 GLN 74 6.647 14.234 -2.068 449 HB3 GLN 74 HB2 GLN 74 6.542 14.495 -0.319 450 HG2 GLN 74 HG1 GLN 74 7.011 16.627 -0.678 451 HG3 GLN 74 HG2 GLN 74 8.642 16.116 -1.138 452 HE21 GLN 74 HE21 GLN 74 8.851 15.386 -3.453 453 HE22 GLN 74 HE22 GLN 74 8.025 16.327 -4.642 454 H ARG 75 H ARG 75 7.392 11.394 -0.271 455 HA ARG 75 HA ARG 75 8.310 11.623 2.509 456 HB2 ARG 75 HB1 ARG 75 5.518 11.004 1.545 457 HB3 ARG 75 HB2 ARG 75 6.083 10.545 3.158 458 HG2 ARG 75 HG1 ARG 75 6.439 12.833 3.773 459 HG3 ARG 75 HG2 ARG 75 6.108 13.368 2.118 460 HD2 ARG 75 HD1 ARG 75 3.851 11.903 2.766 461 HD3 ARG 75 HD2 ARG 75 4.261 12.728 4.275 462 HE ARG 75 HE ARG 75 3.247 13.926 1.877 463 HH11 ARG 75 HH11 ARG 75 5.135 14.476 4.750 464 HH12 ARG 75 HH12 ARG 75 4.840 16.183 4.774 465 HH21 ARG 75 HH21 ARG 75 2.852 16.172 1.899 466 HH22 ARG 75 HH22 ARG 75 3.540 17.146 3.153 467 H ASP 76 H ASP 76 8.146 9.498 3.675 468 HA ASP 76 HA ASP 76 9.448 7.485 2.150 469 HB2 ASP 76 HB1 ASP 76 9.146 6.116 4.284 470 HB3 ASP 76 HB2 ASP 76 10.065 7.619 4.427 471 HD2 ASP 76 HD ASP 76 6.844 7.220 6.569 472 H ALA 77 H ALA 77 6.260 7.582 3.738 473 HA ALA 77 HA ALA 77 5.377 5.085 2.799 474 HB1 ALA 77 HB1 ALA 77 4.413 6.826 4.586 475 HB2 ALA 77 HB2 ALA 77 3.350 7.192 3.226 476 HB3 ALA 77 HB3 ALA 77 3.434 5.550 3.862 477 H MET 78 H MET 78 5.305 8.290 1.380 478 HA MET 78 HA MET 78 3.441 7.899 -0.646 479 HB2 MET 78 HB1 MET 78 5.798 9.685 -0.262 480 HB3 MET 78 HB2 MET 78 5.109 9.565 -1.889 481 HG2 MET 78 HG1 MET 78 2.896 10.189 -0.973 482 HG3 MET 78 HG2 MET 78 3.652 10.394 0.609 483 HE1 MET 78 HE1 MET 78 5.449 12.245 -2.940 484 HE2 MET 78 HE2 MET 78 4.186 11.015 -2.971 485 HE3 MET 78 HE3 MET 78 3.762 12.720 -3.135 486 H CYS 79 H CYS 79 6.682 6.712 -0.323 487 HA CYS 79 HA CYS 79 7.030 6.047 -3.094 488 HB2 CYS 79 HB1 CYS 79 8.608 5.978 -0.670 489 HB3 CYS 79 HB2 CYS 79 8.764 4.457 -1.552 490 H CYS 80 H CYS 80 7.863 3.559 -3.323 491 HA CYS 80 HA CYS 80 5.465 2.024 -3.212 492 HB2 CYS 80 HB1 CYS 80 8.272 1.556 -4.136 493 HB3 CYS 80 HB2 CYS 80 7.221 0.159 -3.894 494 HA PRO 81 HA PRO 81 5.813 -0.129 0.593 495 HB2 PRO 81 HB1 PRO 81 4.969 -2.648 -0.074 496 HB3 PRO 81 HB2 PRO 81 3.894 -1.255 0.022 497 HG2 PRO 81 HG1 PRO 81 5.213 -2.475 -2.378 498 HG3 PRO 81 HG2 PRO 81 3.508 -1.933 -2.168 499 HD2 PRO 81 HD1 PRO 81 5.363 -0.453 -3.485 500 HD3 PRO 81 HD2 PRO 81 4.063 0.275 -2.528 501 H GLY 82 H GLY 82 7.703 -0.595 1.526 502 HA2 GLY 82 HA2 GLY 82 9.370 -2.179 2.124 503 HA3 GLY 82 HA3 GLY 82 9.227 -2.892 0.525 504 HA1 GLY 82 HA1 GLY 82 9.294 -1.317 1.950 505 H THR 83 H THR 83 9.385 0.533 0.675 506 HA THR 83 HA THR 83 12.271 0.508 0.135 507 HB THR 83 HB THR 83 11.381 2.474 -1.567 508 HG1 THR 83 HG1 THR 83 9.352 2.004 -1.964 509 HG21 THR 83 HG21 THR 83 11.627 0.325 -3.236 510 HG22 THR 83 HG22 THR 83 12.477 -0.237 -1.796 511 HG23 THR 83 HG23 THR 83 12.976 1.258 -2.587 512 H LEU 84 H LEU 84 13.073 2.877 -0.040 513 HA LEU 84 HA LEU 84 11.652 4.565 1.903 514 HB2 LEU 84 HB1 LEU 84 14.338 3.404 2.083 515 HB3 LEU 84 HB2 LEU 84 14.292 5.155 2.347 516 HG LEU 84 HG LEU 84 12.269 4.327 3.968 517 HD11 LEU 84 HD11 LEU 84 14.286 2.120 3.772 518 HD12 LEU 84 HD12 LEU 84 12.526 2.020 3.795 519 HD13 LEU 84 HD13 LEU 84 13.405 2.426 5.269 520 HD21 LEU 84 HD21 LEU 84 15.191 4.532 4.687 521 HD22 LEU 84 HD22 LEU 84 13.831 4.695 5.797 522 HD23 LEU 84 HD23 LEU 84 14.075 5.887 4.520 523 H CYS 85 H CYS 85 12.132 6.835 1.759 524 HA CYS 85 HA CYS 85 12.736 7.637 -0.982 525 HB2 CYS 85 HB1 CYS 85 10.661 8.418 0.224 526 HB3 CYS 85 HB2 CYS 85 11.715 9.362 1.279 527 H VAL 86 H VAL 86 14.832 7.957 -1.371 528 HA VAL 86 HA VAL 86 16.392 9.491 0.606 529 HB VAL 86 HB VAL 86 17.462 7.480 -1.379 530 HG11 VAL 86 HG11 VAL 86 18.835 8.954 0.868 531 HG12 VAL 86 HG12 VAL 86 19.572 7.749 -0.189 532 HG13 VAL 86 HG13 VAL 86 19.027 9.289 -0.853 533 HG21 VAL 86 HG21 VAL 86 16.975 7.265 1.587 534 HG22 VAL 86 HG22 VAL 86 16.234 6.304 0.308 535 HG23 VAL 86 HG23 VAL 86 17.953 6.127 0.660 536 H ASN 87 H ASN 87 17.335 11.331 -0.051 537 HA ASN 87 HA ASN 87 17.800 13.140 -1.353 538 HB2 ASN 87 HB1 ASN 87 19.429 11.333 -2.200 539 HB3 ASN 87 HB2 ASN 87 18.354 11.210 -3.598 540 HD21 ASN 87 HD21 ASN 87 20.676 13.163 -1.944 541 HD22 ASN 87 HD22 ASN 87 20.879 14.345 -3.187 542 H ASP 88 H ASP 88 15.095 12.477 -1.244 543 HA ASP 88 HA ASP 88 13.103 12.973 -2.224 544 HB2 ASP 88 HB1 ASP 88 14.638 14.397 -4.398 545 HB3 ASP 88 HB2 ASP 88 13.027 14.765 -3.767 546 HD2 ASP 88 HD ASP 88 14.802 15.911 -0.742 547 H VAL 89 H VAL 89 14.680 10.598 -3.058 548 HA VAL 89 HA VAL 89 13.073 9.938 -5.399 549 HB VAL 89 HB VAL 89 16.068 9.534 -5.356 550 HG11 VAL 89 HG11 VAL 89 15.765 8.633 -7.615 551 HG12 VAL 89 HG12 VAL 89 14.906 7.672 -6.410 552 HG13 VAL 89 HG13 VAL 89 14.017 8.793 -7.442 553 HG21 VAL 89 HG21 VAL 89 14.284 11.462 -6.798 554 HG22 VAL 89 HG22 VAL 89 15.771 11.778 -5.906 555 HG23 VAL 89 HG23 VAL 89 15.839 10.982 -7.478 556 H CYS 90 H CYS 90 12.454 7.825 -5.477 557 HA CYS 90 HA CYS 90 12.486 6.288 -3.156 558 HB2 CYS 90 HB1 CYS 90 11.327 6.127 -5.719 559 HB3 CYS 90 HB2 CYS 90 12.202 4.612 -5.489 560 H THR 91 H THR 91 13.714 4.618 -2.413 561 HA THR 91 HA THR 91 15.911 3.609 -4.044 562 HB THR 91 HB THR 91 16.416 4.782 -1.304 563 HG1 THR 91 HG1 THR 91 16.252 6.510 -2.653 564 HG21 THR 91 HG21 THR 91 17.843 2.860 -1.890 565 HG22 THR 91 HG22 THR 91 18.762 4.362 -1.799 566 HG23 THR 91 HG23 THR 91 18.329 3.687 -3.369 567 H THR 92 H THR 92 16.523 1.546 -3.539 568 HA THR 92 HA THR 92 14.720 -0.032 -2.023 569 HB THR 92 HB THR 92 16.780 -1.729 -2.334 570 HG1 THR 92 HG1 THR 92 18.115 -1.125 -3.929 571 HG21 THR 92 HG21 THR 92 15.635 -1.482 -4.923 572 HG22 THR 92 HG22 THR 92 14.390 -1.087 -3.739 573 HG23 THR 92 HG23 THR 92 15.232 -2.635 -3.652 574 H MET 93 H MET 93 15.050 -1.175 -0.098 575 HA MET 93 HA MET 93 16.324 0.198 1.970 576 HB2 MET 93 HB1 MET 93 15.354 -2.653 1.743 577 HB3 MET 93 HB2 MET 93 16.025 -1.991 3.242 578 HG2 MET 93 HG1 MET 93 14.277 -0.317 3.346 579 HG3 MET 93 HG2 MET 93 13.642 -0.866 1.793 580 HE1 MET 93 HE1 MET 93 13.452 -2.795 5.860 581 HE2 MET 93 HE2 MET 93 14.245 -1.312 5.330 582 HE3 MET 93 HE3 MET 93 12.501 -1.335 5.593 583 H GLU 94 H GLU 94 17.533 -2.159 -0.263 584 HA GLU 94 HA GLU 94 19.854 -2.855 1.279 585 HB2 GLU 94 HB1 GLU 94 18.986 -3.363 -1.560 586 HB3 GLU 94 HB2 GLU 94 20.601 -3.814 -0.991 587 HG2 GLU 94 HG1 GLU 94 18.213 -4.720 0.555 588 HG3 GLU 94 HG2 GLU 94 18.641 -5.539 -0.954 589 HE2 GLU 94 HE GLU 94 20.954 -7.393 0.739 590 H ASP 95 H ASP 95 19.057 -0.518 -1.198 591 HA ASP 95 HA ASP 95 21.769 0.247 -1.724 592 HB2 ASP 95 HB1 ASP 95 19.076 1.396 -2.444 593 HB3 ASP 95 HB2 ASP 95 20.570 2.273 -2.798 594 HD2 ASP 95 HD ASP 95 20.946 -1.105 -4.654 595 H ALA 96 H ALA 96 19.207 1.342 0.406 596 HA ALA 96 HA ALA 96 20.465 3.771 1.192 597 HB1 ALA 96 HB1 ALA 96 18.030 2.367 1.788 598 HB2 ALA 96 HB2 ALA 96 18.778 2.957 3.273 599 HB3 ALA 96 HB3 ALA 96 18.406 4.081 1.965 600 H THR 97 H THR 97 21.045 4.170 3.541 601 HA THR 97 HA THR 97 22.443 3.822 5.302 602 HB THR 97 HB THR 97 21.788 0.892 4.942 603 HG1 THR 97 HG1 THR 97 19.869 1.466 5.602 604 HG21 THR 97 HG21 THR 97 23.559 0.933 6.438 605 HG22 THR 97 HG22 THR 97 22.167 1.045 7.517 606 HG23 THR 97 HG23 THR 97 23.088 2.493 7.110 607 H GLU 98 H GLU 98 24.413 4.405 4.530 608 HA GLU 98 HA GLU 98 26.093 2.240 3.450 609 HB2 GLU 98 HB1 GLU 98 25.417 3.933 1.721 610 HB3 GLU 98 HB2 GLU 98 26.296 5.148 2.661 611 HG2 GLU 98 HG1 GLU 98 28.126 3.080 2.343 612 HG3 GLU 98 HG2 GLU 98 27.294 3.193 0.785 613 HE2 GLU 98 HE GLU 98 29.163 6.515 1.919 614 H ASN 99 H ASN 99 27.966 1.909 4.476 615 HA ASN 99 HA ASN 99 28.644 3.687 6.691 616 HB2 ASN 99 HB1 ASN 99 28.476 1.316 7.208 617 HB3 ASN 99 HB2 ASN 99 29.665 0.935 5.957 618 HD21 ASN 99 HD21 ASN 99 29.179 2.278 9.121 619 HD22 ASN 99 HD22 ASN 99 30.840 2.284 9.595 620 H LEU 100 H LEU 100 29.860 5.367 6.062 621 HA LEU 100 HA LEU 100 31.764 5.195 3.930 622 HB2 LEU 100 HB1 LEU 100 30.507 7.245 5.483 623 HB3 LEU 100 HB2 LEU 100 32.261 7.489 5.503 624 HG LEU 100 HG LEU 100 30.833 7.070 2.904 625 HD11 LEU 100 HD11 LEU 100 30.240 9.308 2.702 626 HD12 LEU 100 HD12 LEU 100 31.248 9.802 4.062 627 HD13 LEU 100 HD13 LEU 100 29.756 8.907 4.350 628 HD21 LEU 100 HD21 LEU 100 32.784 8.902 2.515 629 HD22 LEU 100 HD22 LEU 100 33.009 7.162 2.341 630 HD23 LEU 100 HD23 LEU 100 33.472 7.966 3.841 631 H TYR 101 H TYR 101 34.016 5.339 4.060 632 HA TYR 101 HA TYR 101 36.077 4.816 4.864 633 HB2 TYR 101 HB1 TYR 101 34.935 6.662 6.664 634 HB3 TYR 101 HB2 TYR 101 35.701 5.423 7.660 635 HD1 TYR 101 HD1 TYR 101 37.914 5.719 8.234 636 HD2 TYR 101 HD2 TYR 101 36.492 7.448 4.615 637 HE1 TYR 101 HE1 TYR 101 40.119 6.744 7.864 638 HE2 TYR 101 HE2 TYR 101 38.694 8.477 4.235 639 HH TYR 101 HH TYR 101 40.992 8.200 4.884 640 H PHE 102 H PHE 102 37.159 3.662 6.944 641 HA PHE 102 HA PHE 102 35.471 1.421 7.782 642 HB2 PHE 102 HB1 PHE 102 37.219 -0.208 7.204 643 HB3 PHE 102 HB2 PHE 102 36.624 0.639 5.776 644 HD1 PHE 102 HD1 PHE 102 39.484 0.118 7.963 645 HD2 PHE 102 HD2 PHE 102 37.998 2.277 4.609 646 HE1 PHE 102 HE1 PHE 102 41.782 0.772 7.372 647 HE2 PHE 102 HE2 PHE 102 40.293 2.934 4.012 648 HZ PHE 102 HZ PHE 102 42.189 2.181 5.392 649 H GLN 103 H GLN 103 36.638 3.792 9.099 650 HA GLN 103 HA GLN 103 37.703 4.366 11.028 651 HB2 GLN 103 HB1 GLN 103 36.173 2.174 11.561 652 HB3 GLN 103 HB2 GLN 103 37.768 1.623 12.100 653 HG2 GLN 103 HG1 GLN 103 37.774 4.002 13.286 654 HG3 GLN 103 HG2 GLN 103 36.025 3.751 13.196 655 HE21 GLN 103 HE21 GLN 103 38.301 3.606 15.322 656 HE22 GLN 103 HE22 GLN 103 37.880 2.194 16.223 657 H SER 104 H SER 104 39.488 3.180 12.690 658 HA SER 104 HA SER 104 41.783 2.747 10.906 659 HB2 SER 104 HB1 SER 104 43.125 3.847 12.413 660 HB3 SER 104 HB2 SER 104 41.579 4.634 12.772 661 HG SER 104 HG SER 104 41.552 3.725 14.671 662 H LEU 105 H LEU 105 42.993 0.937 11.010 663 HA LEU 105 HA LEU 105 42.348 -1.022 13.114 664 HB2 LEU 105 HB1 LEU 105 42.587 -2.818 11.489 665 HB3 LEU 105 HB2 LEU 105 41.306 -1.687 11.019 666 HG LEU 105 HG LEU 105 43.278 -0.641 9.576 667 HD11 LEU 105 HD11 LEU 105 45.095 -1.887 9.347 668 HD12 LEU 105 HD12 LEU 105 44.126 -3.292 8.903 669 HD13 LEU 105 HD13 LEU 105 44.477 -2.964 10.599 670 HD21 LEU 105 HD21 LEU 105 42.145 -1.444 7.793 671 HD22 LEU 105 HD22 LEU 105 41.003 -1.958 9.035 672 HD23 LEU 105 HD23 LEU 105 42.173 -3.105 8.382 673 H GLU 106 H GLU 106 44.040 -2.432 13.741 674 HA GLU 106 HA GLU 106 46.718 -1.393 13.096 675 HB2 GLU 106 HB1 GLU 106 47.449 -2.197 15.265 676 HB3 GLU 106 HB2 GLU 106 46.038 -1.144 15.455 677 HG2 GLU 106 HG1 GLU 106 44.696 -3.382 15.392 678 HG3 GLU 106 HG2 GLU 106 46.257 -4.093 15.828 679 HE2 GLU 106 HE GLU 106 45.194 -3.431 19.054 680 H HIS 107 H HIS 107 44.719 -4.241 13.283 681 HA HIS 107 HA HIS 107 45.021 -6.396 12.614 682 HB2 HIS 107 HB1 HIS 107 46.280 -4.706 10.678 683 HB3 HIS 107 HB2 HIS 107 47.241 -6.180 10.848 684 HD1 HIS 107 HD1 HIS 107 43.624 -5.214 10.194 685 HD2 HIS 107 HD2 HIS 107 46.297 -8.306 9.451 686 HE1 HIS 107 HE1 HIS 107 42.398 -6.817 8.694 687 HE2 HIS 107 HE2 HIS 107 44.032 -8.708 8.237 688 H HIS 108 H HIS 108 47.031 -8.030 12.055 689 HA HIS 108 HA HIS 108 48.497 -8.125 14.552 690 HB2 HIS 108 HB1 HIS 108 47.796 -10.019 12.396 691 HB3 HIS 108 HB2 HIS 108 49.367 -10.294 13.156 692 HD1 HIS 108 HD1 HIS 108 48.330 -12.535 14.110 693 HD2 HIS 108 HD2 HIS 108 46.659 -9.028 15.583 694 HE1 HIS 108 HE1 HIS 108 47.044 -13.214 16.161 695 HE2 HIS 108 HE2 HIS 108 46.022 -11.071 17.062 696 H HIS 109 H HIS 109 50.849 -9.005 14.330 697 HA HIS 109 HA HIS 109 52.274 -7.097 12.626 698 HB2 HIS 109 HB1 HIS 109 54.207 -7.516 14.064 699 HB3 HIS 109 HB2 HIS 109 52.798 -7.055 15.024 700 HD1 HIS 109 HD1 HIS 109 55.110 -9.905 14.397 701 HD2 HIS 109 HD2 HIS 109 51.725 -9.084 16.661 702 HE1 HIS 109 HE1 HIS 109 54.922 -11.801 16.038 703 HE2 HIS 109 HE2 HIS 109 52.853 -11.300 17.423 704 H HIS 110 H HIS 110 54.232 -7.785 11.520 705 HA HIS 110 HA HIS 110 54.598 -10.613 11.036 706 HB2 HIS 110 HB1 HIS 110 52.731 -9.811 9.494 707 HB3 HIS 110 HB2 HIS 110 53.962 -8.845 8.676 708 HD1 HIS 110 HD1 HIS 110 53.657 -12.509 9.693 709 HD2 HIS 110 HD2 HIS 110 54.966 -10.140 6.540 710 HE1 HIS 110 HE1 HIS 110 54.444 -14.116 7.926 711 HE2 HIS 110 HE2 HIS 110 55.245 -12.671 5.999 712 H HIS 111 H HIS 111 56.466 -11.031 9.604 713 HA HIS 111 HA HIS 111 58.577 -9.132 10.181 714 HB2 HIS 111 HB1 HIS 111 58.464 -11.887 10.039 715 HB3 HIS 111 HB2 HIS 111 59.287 -11.451 8.538 716 HD1 HIS 111 HD1 HIS 111 60.088 -12.312 11.856 717 HD2 HIS 111 HD2 HIS 111 61.495 -9.430 9.216 718 HE1 HIS 111 HE1 HIS 111 62.354 -11.655 12.724 719 HE2 HIS 111 HE2 HIS 111 63.216 -9.894 11.110 720 H HIS 112 H HIS 112 58.594 -7.410 8.855 721 HA HIS 112 HA HIS 112 59.046 -7.905 6.017 722 HB2 HIS 112 HB1 HIS 112 56.538 -7.131 6.905 723 HB3 HIS 112 HB2 HIS 112 57.285 -5.608 6.416 724 HD1 HIS 112 HD1 HIS 112 55.178 -8.002 5.031 725 HD2 HIS 112 HD2 HIS 112 58.644 -6.162 3.664 726 HE1 HIS 112 HE1 HIS 112 55.131 -8.253 2.529 727 HE2 HIS 112 HE2 HIS 112 57.247 -7.129 1.692 Start of MODEL 22 1 H1 MET 18 H MET 18 -31.130 -43.271 -40.431 2 HA MET 18 HA MET 18 -32.700 -41.826 -39.533 3 HB2 MET 18 HB1 MET 18 -32.828 -42.131 -37.057 4 HB3 MET 18 HB2 MET 18 -32.675 -43.643 -37.965 5 HG2 MET 18 HG1 MET 18 -30.176 -43.508 -37.500 6 HG3 MET 18 HG2 MET 18 -30.582 -42.241 -36.338 7 HE1 MET 18 HE1 MET 18 -29.504 -44.567 -34.088 8 HE2 MET 18 HE2 MET 18 -29.602 -45.951 -35.176 9 HE3 MET 18 HE3 MET 18 -28.959 -44.414 -35.759 10 H LEU 19 H LEU 19 -33.045 -39.731 -39.039 11 HA LEU 19 HA LEU 19 -30.704 -38.149 -38.232 12 HB2 LEU 19 HB1 LEU 19 -32.004 -37.756 -40.438 13 HB3 LEU 19 HB2 LEU 19 -33.220 -37.009 -39.389 14 HG LEU 19 HG LEU 19 -30.976 -35.703 -38.589 15 HD11 LEU 19 HD11 LEU 19 -30.544 -35.429 -41.455 16 HD12 LEU 19 HD12 LEU 19 -30.104 -37.020 -40.836 17 HD13 LEU 19 HD13 LEU 19 -29.378 -35.573 -40.139 18 HD21 LEU 19 HD21 LEU 19 -33.250 -35.167 -40.360 19 HD22 LEU 19 HD22 LEU 19 -31.870 -34.094 -40.595 20 HD23 LEU 19 HD23 LEU 19 -32.618 -34.232 -39.003 21 H VAL 20 H VAL 20 -30.858 -36.602 -36.605 22 HA VAL 20 HA VAL 20 -33.197 -36.905 -34.836 23 HB VAL 20 HB VAL 20 -31.742 -36.308 -32.966 24 HG11 VAL 20 HG11 VAL 20 -30.703 -38.379 -32.732 25 HG12 VAL 20 HG12 VAL 20 -31.989 -38.698 -33.897 26 HG13 VAL 20 HG13 VAL 20 -30.327 -38.493 -34.451 27 HG21 VAL 20 HG21 VAL 20 -30.085 -34.915 -33.773 28 HG22 VAL 20 HG22 VAL 20 -29.202 -36.420 -33.522 29 HG23 VAL 20 HG23 VAL 20 -29.723 -35.964 -35.143 30 H LEU 21 H LEU 21 -34.173 -35.101 -33.984 31 HA LEU 21 HA LEU 21 -33.931 -32.685 -35.472 32 HB2 LEU 21 HB1 LEU 21 -35.800 -33.866 -33.706 33 HB3 LEU 21 HB2 LEU 21 -35.358 -32.292 -33.025 34 HG LEU 21 HG LEU 21 -37.323 -32.016 -34.359 35 HD11 LEU 21 HD11 LEU 21 -36.590 -30.333 -35.924 36 HD12 LEU 21 HD12 LEU 21 -34.954 -30.989 -35.915 37 HD13 LEU 21 HD13 LEU 21 -35.613 -30.241 -34.459 38 HD21 LEU 21 HD21 LEU 21 -35.759 -33.279 -36.608 39 HD22 LEU 21 HD22 LEU 21 -37.366 -32.567 -36.747 40 HD23 LEU 21 HD23 LEU 21 -37.119 -34.002 -35.751 41 H ASP 22 H ASP 22 -33.099 -30.712 -34.887 42 HA ASP 22 HA ASP 22 -32.168 -30.044 -32.313 43 HB2 ASP 22 HB1 ASP 22 -30.481 -31.847 -33.384 44 HB3 ASP 22 HB2 ASP 22 -29.800 -30.368 -34.075 45 HD2 ASP 22 HD ASP 22 -28.881 -31.182 -30.438 46 H PHE 23 H PHE 23 -31.726 -27.894 -32.172 47 HA PHE 23 HA PHE 23 -30.801 -26.287 -34.300 48 HB2 PHE 23 HB1 PHE 23 -33.174 -26.862 -35.050 49 HB3 PHE 23 HB2 PHE 23 -33.728 -25.867 -33.703 50 HD1 PHE 23 HD1 PHE 23 -33.331 -23.452 -33.669 51 HD2 PHE 23 HD2 PHE 23 -32.242 -25.846 -37.016 52 HE1 PHE 23 HE1 PHE 23 -33.132 -21.426 -35.050 53 HE2 PHE 23 HE2 PHE 23 -32.040 -23.823 -38.401 54 HZ PHE 23 HZ PHE 23 -32.484 -21.609 -37.419 55 H ASN 24 H ASN 24 -30.450 -24.130 -33.678 56 HA ASN 24 HA ASN 24 -31.461 -23.052 -31.243 57 HB2 ASN 24 HB1 ASN 24 -29.170 -22.903 -30.136 58 HB3 ASN 24 HB2 ASN 24 -29.955 -24.486 -30.108 59 HD21 ASN 24 HD21 ASN 24 -27.419 -22.584 -31.554 60 HD22 ASN 24 HD22 ASN 24 -26.513 -23.913 -32.187 61 H ASN 25 H ASN 25 -31.320 -20.885 -31.290 62 HA ASN 25 HA ASN 25 -29.176 -19.512 -32.625 63 HB2 ASN 25 HB1 ASN 25 -31.001 -20.279 -34.377 64 HB3 ASN 25 HB2 ASN 25 -31.874 -18.875 -33.750 65 HD21 ASN 25 HD21 ASN 25 -30.514 -16.841 -33.610 66 HD22 ASN 25 HD22 ASN 25 -29.505 -16.501 -34.970 67 H ILE 26 H ILE 26 -29.719 -19.308 -30.047 68 HA ILE 26 HA ILE 26 -30.938 -16.645 -29.808 69 HB ILE 26 HB ILE 26 -31.320 -18.881 -27.812 70 HG12 ILE 26 HG11 ILE 26 -33.383 -17.532 -29.567 71 HG13 ILE 26 HG12 ILE 26 -32.627 -19.087 -29.957 72 HG21 ILE 26 HG21 ILE 26 -33.117 -16.901 -27.215 73 HG22 ILE 26 HG22 ILE 26 -31.584 -17.177 -26.389 74 HG23 ILE 26 HG23 ILE 26 -31.684 -15.989 -27.688 75 HD11 ILE 26 HD11 ILE 26 -34.497 -19.864 -28.953 76 HD12 ILE 26 HD12 ILE 26 -33.487 -19.683 -27.518 77 HD13 ILE 26 HD13 ILE 26 -34.672 -18.442 -27.925 78 H ARG 27 H ARG 27 -29.684 -15.212 -28.798 79 HA ARG 27 HA ARG 27 -28.018 -15.783 -26.599 80 HB2 ARG 27 HB1 ARG 27 -26.783 -16.863 -28.592 81 HB3 ARG 27 HB2 ARG 27 -26.421 -15.200 -29.079 82 HG2 ARG 27 HG1 ARG 27 -25.428 -14.854 -26.782 83 HG3 ARG 27 HG2 ARG 27 -25.570 -16.607 -26.564 84 HD2 ARG 27 HD1 ARG 27 -24.203 -16.944 -28.609 85 HD3 ARG 27 HD2 ARG 27 -24.002 -15.189 -28.715 86 HE ARG 27 HE ARG 27 -22.467 -15.281 -27.008 87 HH11 ARG 27 HH11 ARG 27 -24.162 -18.314 -27.219 88 HH12 ARG 27 HH12 ARG 27 -23.110 -19.129 -26.110 89 HH21 ARG 27 HH21 ARG 27 -21.075 -16.342 -25.546 90 HH22 ARG 27 HH22 ARG 27 -21.355 -18.006 -25.158 91 H SER 28 H SER 28 -29.966 -13.842 -27.497 92 HA SER 28 HA SER 28 -28.584 -11.380 -28.031 93 HB2 SER 28 HB1 SER 28 -31.443 -12.144 -27.485 94 HB3 SER 28 HB2 SER 28 -30.952 -10.440 -27.446 95 HG SER 28 HG SER 28 -31.351 -10.628 -29.524 96 H SER 29 H SER 29 -28.517 -9.546 -26.638 97 HA SER 29 HA SER 29 -29.223 -9.720 -23.881 98 HB2 SER 29 HB1 SER 29 -26.631 -10.728 -24.670 99 HB3 SER 29 HB2 SER 29 -26.449 -9.309 -23.622 100 HG SER 29 HG SER 29 -28.161 -11.474 -22.986 101 H ALA 30 H ALA 30 -28.860 -7.760 -22.746 102 HA ALA 30 HA ALA 30 -27.441 -5.560 -23.776 103 HB1 ALA 30 HB1 ALA 30 -30.154 -4.645 -24.046 104 HB2 ALA 30 HB2 ALA 30 -28.824 -4.568 -25.203 105 HB3 ALA 30 HB3 ALA 30 -29.848 -6.002 -25.130 106 H ASP 31 H ASP 31 -27.247 -3.999 -22.253 107 HA ASP 31 HA ASP 31 -29.183 -3.330 -20.329 108 HB2 ASP 31 HB1 ASP 31 -28.141 -5.748 -19.700 109 HB3 ASP 31 HB2 ASP 31 -26.987 -4.690 -18.881 110 HD2 ASP 31 HD ASP 31 -30.714 -4.776 -17.527 111 H LEU 32 H LEU 32 -28.099 -2.082 -18.433 112 HA LEU 32 HA LEU 32 -25.716 -0.682 -19.453 113 HB2 LEU 32 HB1 LEU 32 -28.315 0.356 -19.141 114 HB3 LEU 32 HB2 LEU 32 -27.350 1.018 -17.811 115 HG LEU 32 HG LEU 32 -25.664 1.596 -19.752 116 HD11 LEU 32 HD11 LEU 32 -27.530 0.413 -21.286 117 HD12 LEU 32 HD12 LEU 32 -26.449 1.681 -21.862 118 HD13 LEU 32 HD13 LEU 32 -28.089 2.084 -21.353 119 HD21 LEU 32 HD21 LEU 32 -26.810 3.791 -19.982 120 HD22 LEU 32 HD22 LEU 32 -26.634 3.252 -18.312 121 HD23 LEU 32 HD23 LEU 32 -28.193 3.112 -19.125 122 H HIS 33 H HIS 33 -25.047 0.933 -17.476 123 HA HIS 33 HA HIS 33 -25.047 -0.609 -14.984 124 HB2 HIS 33 HB1 HIS 33 -22.737 -0.062 -16.732 125 HB3 HIS 33 HB2 HIS 33 -22.478 0.326 -15.027 126 HD1 HIS 33 HD1 HIS 33 -23.354 -2.607 -17.236 127 HD2 HIS 33 HD2 HIS 33 -22.067 -1.821 -13.364 128 HE1 HIS 33 HE1 HIS 33 -22.768 -4.848 -16.255 129 HE2 HIS 33 HE2 HIS 33 -21.983 -4.369 -13.889 130 H GLY 34 H GLY 34 -23.322 2.276 -16.172 131 HA2 GLY 34 HA2 GLY 34 -23.490 4.487 -15.527 132 HA3 GLY 34 HA3 GLY 34 -24.966 4.077 -14.665 133 HA1 GLY 34 HA1 GLY 34 -22.944 3.841 -15.279 134 H ALA 35 H ALA 35 -23.115 5.870 -13.637 135 HA ALA 35 HA ALA 35 -22.316 4.445 -11.211 136 HB1 ALA 35 HB1 ALA 35 -20.122 4.755 -11.433 137 HB2 ALA 35 HB2 ALA 35 -20.445 5.135 -13.125 138 HB3 ALA 35 HB3 ALA 35 -20.331 6.432 -11.937 139 H ARG 36 H ARG 36 -22.442 5.651 -9.350 140 HA ARG 36 HA ARG 36 -23.175 8.483 -9.615 141 HB2 ARG 36 HB1 ARG 36 -24.597 6.504 -7.818 142 HB3 ARG 36 HB2 ARG 36 -24.967 8.227 -7.991 143 HG2 ARG 36 HG1 ARG 36 -25.420 7.727 -10.452 144 HG3 ARG 36 HG2 ARG 36 -25.415 6.021 -9.970 145 HD2 ARG 36 HD1 ARG 36 -27.150 6.607 -8.230 146 HD3 ARG 36 HD2 ARG 36 -27.253 8.197 -8.999 147 HE ARG 36 HE ARG 36 -27.622 6.403 -11.037 148 HH11 ARG 36 HH11 ARG 36 -29.164 7.065 -7.987 149 HH12 ARG 36 HH12 ARG 36 -30.729 6.541 -8.514 150 HH21 ARG 36 HH21 ARG 36 -29.678 5.710 -11.744 151 HH22 ARG 36 HH22 ARG 36 -31.019 5.769 -10.652 152 H LYS 37 H LYS 37 -21.408 9.386 -8.720 153 HA LYS 37 HA LYS 37 -21.012 9.109 -5.894 154 HB2 LYS 37 HB1 LYS 37 -19.437 7.498 -7.655 155 HB3 LYS 37 HB2 LYS 37 -18.390 8.723 -6.922 156 HG2 LYS 37 HG1 LYS 37 -18.826 7.975 -4.742 157 HG3 LYS 37 HG2 LYS 37 -20.236 7.036 -5.266 158 HD2 LYS 37 HD1 LYS 37 -18.877 5.412 -6.352 159 HD3 LYS 37 HD2 LYS 37 -17.435 6.429 -6.191 160 HE2 LYS 37 HE1 LYS 37 -18.923 5.525 -3.744 161 HE3 LYS 37 HE2 LYS 37 -17.787 4.438 -4.558 162 HZ1 LYS 37 HZ1 LYS 37 -16.064 5.528 -3.711 163 HZ2 LYS 37 HZ2 LYS 37 -17.152 6.340 -2.703 164 HZ3 LYS 37 HZ3 LYS 37 -16.673 7.038 -4.167 165 H GLY 38 H GLY 38 -19.629 10.737 -5.019 166 HA2 GLY 38 HA2 GLY 38 -19.322 13.020 -6.849 167 HA3 GLY 38 HA3 GLY 38 -19.452 13.122 -5.099 168 HA1 GLY 38 HA1 GLY 38 -18.844 12.285 -6.956 169 H SER 39 H SER 39 -17.608 12.010 -3.897 170 HA SER 39 HA SER 39 -15.133 13.054 -4.987 171 HB2 SER 39 HB1 SER 39 -15.232 11.581 -2.382 172 HB3 SER 39 HB2 SER 39 -14.315 13.031 -2.828 173 HG SER 39 HG SER 39 -15.901 13.824 -1.586 174 H GLN 40 H GLN 40 -13.131 11.576 -4.267 175 HA GLN 40 HA GLN 40 -13.554 9.027 -5.660 176 HB2 GLN 40 HB1 GLN 40 -11.081 10.693 -5.176 177 HB3 GLN 40 HB2 GLN 40 -11.028 9.057 -5.852 178 HG2 GLN 40 HG1 GLN 40 -12.712 11.196 -7.114 179 HG3 GLN 40 HG2 GLN 40 -10.983 11.054 -7.461 180 HE21 GLN 40 HE21 GLN 40 -13.405 10.643 -9.135 181 HE22 GLN 40 HE22 GLN 40 -13.217 9.066 -9.813 182 H CYS 41 H CYS 41 -11.220 10.110 -3.196 183 HA CYS 41 HA CYS 41 -12.026 7.855 -1.503 184 HB2 CYS 41 HB1 CYS 41 -9.785 7.120 -1.152 185 HB3 CYS 41 HB2 CYS 41 -10.024 7.230 -2.897 186 H LEU 42 H LEU 42 -11.829 8.195 0.685 187 HA LEU 42 HA LEU 42 -11.253 10.962 1.470 188 HB2 LEU 42 HB1 LEU 42 -13.267 9.060 2.178 189 HB3 LEU 42 HB2 LEU 42 -12.332 9.477 3.626 190 HG LEU 42 HG LEU 42 -12.785 11.930 2.923 191 HD11 LEU 42 HD11 LEU 42 -15.103 12.022 1.817 192 HD12 LEU 42 HD12 LEU 42 -14.729 10.400 1.233 193 HD13 LEU 42 HD13 LEU 42 -13.694 11.758 0.789 194 HD21 LEU 42 HD21 LEU 42 -15.059 11.794 4.031 195 HD22 LEU 42 HD22 LEU 42 -13.706 11.107 4.931 196 HD23 LEU 42 HD23 LEU 42 -14.826 10.045 4.074 197 H SER 43 H SER 43 -10.198 7.690 1.895 198 HA SER 43 HA SER 43 -7.966 8.654 3.527 199 HB2 SER 43 HB1 SER 43 -8.778 5.998 4.381 200 HB3 SER 43 HB2 SER 43 -8.495 7.455 5.351 201 HG SER 43 HG SER 43 -10.801 6.336 4.852 202 H ASP 44 H ASP 44 -6.261 6.875 3.737 203 HA ASP 44 HA ASP 44 -5.494 6.071 1.133 204 HB2 ASP 44 HB1 ASP 44 -4.037 6.593 3.229 205 HB3 ASP 44 HB2 ASP 44 -4.302 4.888 3.623 206 HD2 ASP 44 HD ASP 44 -2.576 4.024 0.558 207 H THR 45 H THR 45 -7.205 4.490 3.714 208 HA THR 45 HA THR 45 -6.844 1.812 2.982 209 HB THR 45 HB THR 45 -9.300 1.659 4.000 210 HG1 THR 45 HG1 THR 45 -9.935 3.680 4.328 211 HG21 THR 45 HG21 THR 45 -7.850 0.661 5.408 212 HG22 THR 45 HG22 THR 45 -7.946 2.175 6.305 213 HG23 THR 45 HG23 THR 45 -6.619 1.902 5.177 214 H ASP 46 H ASP 46 -8.768 4.320 1.572 215 HA ASP 46 HA ASP 46 -10.623 2.682 0.185 216 HB2 ASP 46 HB1 ASP 46 -10.113 5.458 0.480 217 HB3 ASP 46 HB2 ASP 46 -10.101 5.107 -1.254 218 HD2 ASP 46 HD ASP 46 -13.502 4.788 -1.332 219 H CYS 47 H CYS 47 -7.357 3.704 -0.460 220 HA CYS 47 HA CYS 47 -7.470 2.697 -3.198 221 HB2 CYS 47 HB1 CYS 47 -6.125 4.807 -2.065 222 HB3 CYS 47 HB2 CYS 47 -4.866 3.574 -2.161 223 H ASN 48 H ASN 48 -5.467 1.392 -3.881 224 HA ASN 48 HA ASN 48 -5.535 -1.105 -2.697 225 HB2 ASN 48 HB1 ASN 48 -4.410 -0.086 -4.952 226 HB3 ASN 48 HB2 ASN 48 -2.968 -0.387 -3.974 227 HD21 ASN 48 HD21 ASN 48 -2.072 -2.229 -4.517 228 HD22 ASN 48 HD22 ASN 48 -2.900 -3.706 -4.863 229 H THR 49 H THR 49 -3.518 -2.256 -1.814 230 HA THR 49 HA THR 49 -2.830 -1.001 0.659 231 HB THR 49 HB THR 49 -1.719 -3.549 -0.534 232 HG1 THR 49 HG1 THR 49 -3.822 -3.246 1.363 233 HG21 THR 49 HG21 THR 49 -1.830 -2.676 2.352 234 HG22 THR 49 HG22 THR 49 -0.400 -2.530 1.330 235 HG23 THR 49 HG23 THR 49 -1.061 -4.122 1.702 236 H ARG 50 H ARG 50 -1.252 -1.437 -2.424 237 HA ARG 50 HA ARG 50 1.244 -0.331 -1.352 238 HB2 ARG 50 HB1 ARG 50 0.542 -1.869 -3.833 239 HB3 ARG 50 HB2 ARG 50 2.018 -0.895 -3.776 240 HG2 ARG 50 HG1 ARG 50 3.026 -2.675 -2.910 241 HG3 ARG 50 HG2 ARG 50 2.113 -2.343 -1.428 242 HD2 ARG 50 HD1 ARG 50 0.317 -3.813 -2.152 243 HD3 ARG 50 HD2 ARG 50 1.146 -4.087 -3.691 244 HE ARG 50 HE ARG 50 2.547 -5.577 -2.647 245 HH11 ARG 50 HH11 ARG 50 0.794 -3.756 -0.254 246 HH12 ARG 50 HH12 ARG 50 1.314 -4.745 1.069 247 HH21 ARG 50 HH21 ARG 50 3.239 -6.887 -0.913 248 HH22 ARG 50 HH22 ARG 50 2.706 -6.525 0.694 249 H LYS 51 H LYS 51 -1.242 1.213 -1.846 250 HA LYS 51 HA LYS 51 -0.055 3.245 -3.604 251 HB2 LYS 51 HB1 LYS 51 -2.966 2.408 -3.602 252 HB3 LYS 51 HB2 LYS 51 -2.282 3.755 -4.526 253 HG2 LYS 51 HG1 LYS 51 -0.846 2.155 -5.752 254 HG3 LYS 51 HG2 LYS 51 -1.645 0.834 -4.882 255 HD2 LYS 51 HD1 LYS 51 -3.846 1.883 -5.784 256 HD3 LYS 51 HD2 LYS 51 -2.776 2.688 -6.945 257 HE2 LYS 51 HE1 LYS 51 -1.864 0.462 -7.592 258 HE3 LYS 51 HE2 LYS 51 -3.054 -0.284 -6.515 259 HZ1 LYS 51 HZ1 LYS 51 -4.801 0.330 -7.871 260 HZ2 LYS 51 HZ2 LYS 51 -3.601 -0.050 -9.001 261 HZ3 LYS 51 HZ3 LYS 51 -3.933 1.567 -8.633 262 H PHE 52 H PHE 52 -0.955 5.421 -3.245 263 HA PHE 52 HA PHE 52 -2.057 5.767 -0.539 264 HB2 PHE 52 HB1 PHE 52 -0.600 7.777 -0.278 265 HB3 PHE 52 HB2 PHE 52 0.294 6.258 -0.357 266 HD1 PHE 52 HD1 PHE 52 -0.732 9.172 -2.402 267 HD2 PHE 52 HD2 PHE 52 1.963 5.909 -1.952 268 HE1 PHE 52 HE1 PHE 52 0.634 10.049 -4.251 269 HE2 PHE 52 HE2 PHE 52 3.334 6.782 -3.799 270 HZ PHE 52 HZ PHE 52 2.671 8.855 -4.951 271 H CYS 53 H CYS 53 -3.470 7.473 -0.253 272 HA CYS 53 HA CYS 53 -4.711 8.460 -2.673 273 HB2 CYS 53 HB1 CYS 53 -5.409 8.325 0.209 274 HB3 CYS 53 HB2 CYS 53 -6.112 9.660 -0.705 275 H LEU 54 H LEU 54 -3.568 10.053 -3.628 276 HA LEU 54 HA LEU 54 -2.381 12.176 -2.038 277 HB2 LEU 54 HB1 LEU 54 -1.139 11.228 -3.924 278 HB3 LEU 54 HB2 LEU 54 -2.435 11.735 -5.020 279 HG LEU 54 HG LEU 54 -1.600 14.059 -3.672 280 HD11 LEU 54 HD11 LEU 54 0.429 12.695 -3.086 281 HD12 LEU 54 HD12 LEU 54 0.744 14.170 -3.998 282 HD13 LEU 54 HD13 LEU 54 0.775 12.607 -4.813 283 HD21 LEU 54 HD21 LEU 54 -0.728 13.275 -6.430 284 HD22 LEU 54 HD22 LEU 54 -1.201 14.861 -5.824 285 HD23 LEU 54 HD23 LEU 54 -2.421 13.609 -6.065 286 H GLN 55 H GLN 55 -3.134 14.215 -1.856 287 HA GLN 55 HA GLN 55 -5.489 14.966 -3.449 288 HB2 GLN 55 HB1 GLN 55 -6.281 16.194 -1.349 289 HB3 GLN 55 HB2 GLN 55 -6.450 14.431 -1.371 290 HG2 GLN 55 HG1 GLN 55 -5.096 14.152 0.375 291 HG3 GLN 55 HG2 GLN 55 -3.909 15.299 -0.261 292 HE21 GLN 55 HE21 GLN 55 -3.949 17.410 0.395 293 HE22 GLN 55 HE22 GLN 55 -4.956 17.988 1.674 294 HA PRO 56 HA PRO 56 -2.322 18.241 -3.931 295 HB2 PRO 56 HB1 PRO 56 -3.052 18.866 -6.494 296 HB3 PRO 56 HB2 PRO 56 -1.961 17.543 -6.090 297 HG2 PRO 56 HG1 PRO 56 -4.904 17.472 -6.657 298 HG3 PRO 56 HG2 PRO 56 -3.600 16.387 -7.267 299 HD2 PRO 56 HD1 PRO 56 -5.266 15.682 -5.244 300 HD3 PRO 56 HD2 PRO 56 -3.573 15.160 -5.315 301 H ARG 57 H ARG 57 -2.556 20.530 -4.235 302 HA ARG 57 HA ARG 57 -5.104 21.509 -3.284 303 HB2 ARG 57 HB1 ARG 57 -2.674 22.262 -2.622 304 HB3 ARG 57 HB2 ARG 57 -2.837 23.309 -4.039 305 HG2 ARG 57 HG1 ARG 57 -4.525 24.575 -3.097 306 HG3 ARG 57 HG2 ARG 57 -4.976 23.295 -1.958 307 HD2 ARG 57 HD1 ARG 57 -2.218 24.283 -1.656 308 HD3 ARG 57 HD2 ARG 57 -3.479 25.478 -1.325 309 HE ARG 57 HE ARG 57 -2.801 23.210 0.279 310 HH11 ARG 57 HH11 ARG 57 -5.389 25.353 -0.631 311 HH12 ARG 57 HH12 ARG 57 -6.283 25.105 0.830 312 HH21 ARG 57 HH21 ARG 57 -3.970 22.875 2.209 313 HH22 ARG 57 HH22 ARG 57 -5.475 23.697 2.447 314 H ASP 58 H ASP 58 -3.049 21.977 -6.142 315 HA ASP 58 HA ASP 58 -4.934 23.698 -7.444 316 HB2 ASP 58 HB1 ASP 58 -2.235 22.982 -7.811 317 HB3 ASP 58 HB2 ASP 58 -3.080 22.450 -9.271 318 HD2 ASP 58 HD ASP 58 -2.644 26.313 -8.643 319 H GLU 59 H GLU 59 -4.462 20.292 -7.214 320 HA GLU 59 HA GLU 59 -6.442 19.865 -9.355 321 HB2 GLU 59 HB1 GLU 59 -3.906 18.618 -8.832 322 HB3 GLU 59 HB2 GLU 59 -5.196 17.411 -8.707 323 HG2 GLU 59 HG1 GLU 59 -4.886 19.264 -11.065 324 HG3 GLU 59 HG2 GLU 59 -4.155 17.656 -10.973 325 HE2 GLU 59 HE GLU 59 -7.061 16.296 -12.143 326 H LYS 60 H LYS 60 -7.432 17.483 -8.914 327 HA LYS 60 HA LYS 60 -8.686 17.711 -6.270 328 HB2 LYS 60 HB1 LYS 60 -10.408 16.145 -7.285 329 HB3 LYS 60 HB2 LYS 60 -10.327 17.774 -7.975 330 HG2 LYS 60 HG1 LYS 60 -9.880 16.992 -10.003 331 HG3 LYS 60 HG2 LYS 60 -8.572 15.969 -9.382 332 HD2 LYS 60 HD1 LYS 60 -9.953 14.320 -10.127 333 HD3 LYS 60 HD2 LYS 60 -10.639 14.534 -8.507 334 HE2 LYS 60 HE1 LYS 60 -12.448 15.822 -9.312 335 HE3 LYS 60 HE2 LYS 60 -11.658 16.077 -10.874 336 HZ1 LYS 60 HZ1 LYS 60 -12.400 13.364 -9.979 337 HZ2 LYS 60 HZ2 LYS 60 -12.113 13.918 -11.551 338 HZ3 LYS 60 HZ3 LYS 60 -13.528 14.367 -10.742 339 HA PRO 61 HA PRO 61 -6.905 13.990 -4.769 340 HB2 PRO 61 HB1 PRO 61 -8.945 12.980 -3.247 341 HB3 PRO 61 HB2 PRO 61 -8.000 14.396 -2.791 342 HG2 PRO 61 HG1 PRO 61 -10.677 14.249 -4.135 343 HG3 PRO 61 HG2 PRO 61 -10.144 15.298 -2.769 344 HD2 PRO 61 HD1 PRO 61 -10.332 16.200 -5.324 345 HD3 PRO 61 HD2 PRO 61 -9.102 16.785 -4.189 346 H PHE 62 H PHE 62 -6.723 11.830 -5.229 347 HA PHE 62 HA PHE 62 -8.840 10.224 -6.218 348 HB2 PHE 62 HB1 PHE 62 -8.261 9.988 -8.513 349 HB3 PHE 62 HB2 PHE 62 -8.374 11.722 -8.200 350 HD1 PHE 62 HD1 PHE 62 -6.067 12.819 -7.411 351 HD2 PHE 62 HD2 PHE 62 -6.454 9.286 -9.753 352 HE1 PHE 62 HE1 PHE 62 -3.790 13.151 -8.282 353 HE2 PHE 62 HE2 PHE 62 -4.178 9.612 -10.628 354 HZ PHE 62 HZ PHE 62 -2.842 11.546 -9.892 355 H CYS 63 H CYS 63 -7.993 8.087 -7.058 356 HA CYS 63 HA CYS 63 -6.049 7.096 -5.232 357 HB2 CYS 63 HB1 CYS 63 -7.994 6.021 -7.052 358 HB3 CYS 63 HB2 CYS 63 -6.449 5.209 -7.310 359 H ALA 64 H ALA 64 -3.960 7.569 -5.444 360 HA ALA 64 HA ALA 64 -2.781 7.649 -8.134 361 HB1 ALA 64 HB1 ALA 64 -1.107 8.496 -5.883 362 HB2 ALA 64 HB2 ALA 64 -1.415 9.283 -7.431 363 HB3 ALA 64 HB3 ALA 64 -2.570 9.454 -6.110 364 H THR 65 H THR 65 -1.368 6.148 -8.782 365 HA THR 65 HA THR 65 -0.930 3.811 -7.231 366 HB THR 65 HB THR 65 0.782 3.323 -9.126 367 HG1 THR 65 HG1 THR 65 0.491 4.628 -10.956 368 HG21 THR 65 HG21 THR 65 -1.419 3.282 -10.736 369 HG22 THR 65 HG22 THR 65 -2.153 3.377 -9.135 370 HG23 THR 65 HG23 THR 65 -1.042 2.063 -9.520 371 H CYS 66 H CYS 66 1.373 2.896 -7.036 372 HA CYS 66 HA CYS 66 2.820 4.543 -5.248 373 HB2 CYS 66 HB1 CYS 66 2.693 1.870 -5.684 374 HB3 CYS 66 HB2 CYS 66 4.230 2.243 -6.462 375 H ARG 67 H ARG 67 5.320 4.706 -5.552 376 HA ARG 67 HA ARG 67 5.795 5.894 -8.207 377 HB2 ARG 67 HB1 ARG 67 7.163 6.617 -5.606 378 HB3 ARG 67 HB2 ARG 67 7.307 7.456 -7.158 379 HG2 ARG 67 HG1 ARG 67 4.753 7.243 -5.561 380 HG3 ARG 67 HG2 ARG 67 5.858 8.628 -5.537 381 HD2 ARG 67 HD1 ARG 67 5.507 8.406 -8.194 382 HD3 ARG 67 HD2 ARG 67 3.966 7.744 -7.633 383 HE ARG 67 HE ARG 67 4.548 10.180 -6.304 384 HH11 ARG 67 HH11 ARG 67 3.471 8.892 -9.354 385 HH12 ARG 67 HH12 ARG 67 2.578 10.312 -9.787 386 HH21 ARG 67 HH21 ARG 67 3.375 12.055 -6.861 387 HH22 ARG 67 HH22 ARG 67 2.524 12.110 -8.368 388 H GLY 68 H GLY 68 7.688 5.446 -9.289 389 HA2 GLY 68 HA2 GLY 68 8.941 2.956 -8.685 390 HA3 GLY 68 HA3 GLY 68 9.387 4.055 -9.982 391 HA1 GLY 68 HA1 GLY 68 8.875 3.501 -7.995 392 H LEU 69 H LEU 69 11.553 3.178 -9.236 393 HA LEU 69 HA LEU 69 12.629 4.117 -6.767 394 HB2 LEU 69 HB1 LEU 69 13.923 3.043 -9.274 395 HB3 LEU 69 HB2 LEU 69 14.820 3.467 -7.806 396 HG LEU 69 HG LEU 69 12.744 1.294 -8.071 397 HD11 LEU 69 HD11 LEU 69 14.440 -0.001 -8.667 398 HD12 LEU 69 HD12 LEU 69 15.233 0.357 -7.133 399 HD13 LEU 69 HD13 LEU 69 15.555 1.360 -8.547 400 HD21 LEU 69 HD21 LEU 69 13.559 0.733 -5.734 401 HD22 LEU 69 HD22 LEU 69 12.501 2.137 -5.887 402 HD23 LEU 69 HD23 LEU 69 14.241 2.360 -5.694 403 H ARG 70 H ARG 70 13.241 5.063 -10.153 404 HA ARG 70 HA ARG 70 14.900 7.230 -9.645 405 HB2 ARG 70 HB1 ARG 70 12.925 6.771 -11.890 406 HB3 ARG 70 HB2 ARG 70 14.114 8.083 -11.876 407 HG2 ARG 70 HG1 ARG 70 15.170 5.355 -11.430 408 HG3 ARG 70 HG2 ARG 70 14.553 5.723 -13.048 409 HD2 ARG 70 HD1 ARG 70 15.988 7.841 -12.943 410 HD3 ARG 70 HD2 ARG 70 16.768 7.086 -11.545 411 HE ARG 70 HE ARG 70 17.118 6.385 -14.306 412 HH11 ARG 70 HH11 ARG 70 17.279 5.222 -11.028 413 HH12 ARG 70 HH12 ARG 70 18.418 3.968 -11.391 414 HH21 ARG 70 HH21 ARG 70 18.617 4.738 -14.796 415 HH22 ARG 70 HH22 ARG 70 19.179 3.694 -13.534 416 H ARG 71 H ARG 71 11.462 6.933 -9.314 417 HA ARG 71 HA ARG 71 10.698 9.620 -9.434 418 HB2 ARG 71 HB1 ARG 71 9.545 7.112 -8.572 419 HB3 ARG 71 HB2 ARG 71 9.095 8.420 -7.469 420 HG2 ARG 71 HG1 ARG 71 7.447 8.103 -9.262 421 HG3 ARG 71 HG2 ARG 71 8.190 9.712 -9.297 422 HD2 ARG 71 HD1 ARG 71 8.955 9.396 -11.368 423 HD3 ARG 71 HD2 ARG 71 9.724 7.875 -10.890 424 HE ARG 71 HE ARG 71 7.094 7.223 -11.142 425 HH11 ARG 71 HH11 ARG 71 9.445 8.733 -13.220 426 HH12 ARG 71 HH12 ARG 71 8.727 8.138 -14.681 427 HH21 ARG 71 HH21 ARG 71 6.140 6.435 -13.058 428 HH22 ARG 71 HH22 ARG 71 6.847 6.833 -14.588 429 H ARG 72 H ARG 72 10.415 11.204 -7.853 430 HA ARG 72 HA ARG 72 12.348 11.094 -5.702 431 HB2 ARG 72 HB1 ARG 72 10.425 13.312 -6.446 432 HB3 ARG 72 HB2 ARG 72 11.825 13.445 -5.370 433 HG2 ARG 72 HG1 ARG 72 12.644 12.403 -7.923 434 HG3 ARG 72 HG2 ARG 72 11.740 13.912 -8.125 435 HD2 ARG 72 HD1 ARG 72 14.013 13.595 -6.160 436 HD3 ARG 72 HD2 ARG 72 14.229 14.164 -7.820 437 HE ARG 72 HE ARG 72 12.308 15.808 -6.835 438 HH11 ARG 72 HH11 ARG 72 15.493 14.892 -5.766 439 HH12 ARG 72 HH12 ARG 72 15.806 16.405 -4.981 440 HH21 ARG 72 HH21 ARG 72 12.708 17.803 -5.804 441 HH22 ARG 72 HH22 ARG 72 14.221 18.059 -5.002 442 H CYS 73 H CYS 73 11.850 11.529 -3.492 443 HA CYS 73 HA CYS 73 9.062 11.210 -2.681 444 HB2 CYS 73 HB1 CYS 73 9.757 9.489 -0.979 445 HB3 CYS 73 HB2 CYS 73 9.785 8.936 -2.654 446 H GLN 74 H GLN 74 8.661 11.810 -0.472 447 HA GLN 74 HA GLN 74 10.762 13.559 0.627 448 HB2 GLN 74 HB1 GLN 74 8.774 14.759 -0.251 449 HB3 GLN 74 HB2 GLN 74 7.769 13.873 0.906 450 HG2 GLN 74 HG1 GLN 74 8.547 15.039 2.720 451 HG3 GLN 74 HG2 GLN 74 10.084 15.428 1.935 452 HE21 GLN 74 HE21 GLN 74 10.095 17.057 0.289 453 HE22 GLN 74 HE22 GLN 74 8.916 18.319 0.312 454 H ARG 75 H ARG 75 8.425 11.068 1.278 455 HA ARG 75 HA ARG 75 9.402 10.931 4.056 456 HB2 ARG 75 HB1 ARG 75 6.825 11.436 3.330 457 HB3 ARG 75 HB2 ARG 75 6.802 9.672 3.473 458 HG2 ARG 75 HG1 ARG 75 8.163 10.539 5.746 459 HG3 ARG 75 HG2 ARG 75 6.823 11.679 5.540 460 HD2 ARG 75 HD1 ARG 75 5.454 9.445 5.107 461 HD3 ARG 75 HD2 ARG 75 6.763 8.756 6.077 462 HE ARG 75 HE ARG 75 4.628 10.416 7.008 463 HH11 ARG 75 HH11 ARG 75 7.930 9.471 7.580 464 HH12 ARG 75 HH12 ARG 75 7.881 9.844 9.270 465 HH21 ARG 75 HH21 ARG 75 4.552 10.911 9.234 466 HH22 ARG 75 HH22 ARG 75 5.959 10.663 10.211 467 H ASP 76 H ASP 76 9.376 8.750 5.000 468 HA ASP 76 HA ASP 76 10.629 6.878 3.266 469 HB2 ASP 76 HB1 ASP 76 10.456 5.351 5.305 470 HB3 ASP 76 HB2 ASP 76 11.360 6.857 5.514 471 HD2 ASP 76 HD ASP 76 8.209 6.256 7.735 472 H ALA 77 H ALA 77 7.527 6.798 5.021 473 HA ALA 77 HA ALA 77 6.643 4.366 3.888 474 HB1 ALA 77 HB1 ALA 77 5.639 5.073 5.914 475 HB2 ALA 77 HB2 ALA 77 5.164 6.623 5.219 476 HB3 ALA 77 HB3 ALA 77 4.380 5.138 4.681 477 H MET 78 H MET 78 6.584 7.651 2.769 478 HA MET 78 HA MET 78 4.495 7.626 0.957 479 HB2 MET 78 HB1 MET 78 7.071 9.085 1.186 480 HB3 MET 78 HB2 MET 78 6.271 9.130 -0.391 481 HG2 MET 78 HG1 MET 78 4.759 9.793 2.114 482 HG3 MET 78 HG2 MET 78 5.772 10.993 1.308 483 HE1 MET 78 HE1 MET 78 4.579 12.104 -1.549 484 HE2 MET 78 HE2 MET 78 5.840 10.913 -1.230 485 HE3 MET 78 HE3 MET 78 4.491 10.506 -2.292 486 H CYS 79 H CYS 79 7.662 6.163 0.719 487 HA CYS 79 HA CYS 79 7.251 5.445 -2.073 488 HB2 CYS 79 HB1 CYS 79 9.485 6.197 -1.082 489 HB3 CYS 79 HB2 CYS 79 9.557 4.607 -0.322 490 H CYS 80 H CYS 80 7.332 3.253 -2.809 491 HA CYS 80 HA CYS 80 5.620 1.512 -1.497 492 HB2 CYS 80 HB1 CYS 80 7.411 1.396 -3.819 493 HB3 CYS 80 HB2 CYS 80 7.160 -0.170 -3.044 494 HA PRO 81 HA PRO 81 7.924 -0.642 1.550 495 HB2 PRO 81 HB1 PRO 81 6.997 -3.205 1.297 496 HB3 PRO 81 HB2 PRO 81 6.038 -1.885 1.965 497 HG2 PRO 81 HG1 PRO 81 6.052 -3.005 -0.818 498 HG3 PRO 81 HG2 PRO 81 4.650 -2.573 0.232 499 HD2 PRO 81 HD1 PRO 81 5.525 -0.970 -1.778 500 HD3 PRO 81 HD2 PRO 81 4.836 -0.332 -0.275 501 H GLY 82 H GLY 82 9.768 -1.864 1.882 502 HA2 GLY 82 HA2 GLY 82 11.411 -3.468 1.293 503 HA3 GLY 82 HA3 GLY 82 10.820 -3.427 -0.363 504 HA1 GLY 82 HA1 GLY 82 11.362 -2.620 1.528 505 H THR 83 H THR 83 10.827 -0.373 -0.085 506 HA THR 83 HA THR 83 13.720 -0.031 -0.543 507 HB THR 83 HB THR 83 13.146 1.794 -2.110 508 HG1 THR 83 HG1 THR 83 10.475 0.876 -2.115 509 HG21 THR 83 HG21 THR 83 13.155 0.313 -3.786 510 HG22 THR 83 HG22 THR 83 11.564 -0.305 -3.344 511 HG23 THR 83 HG23 THR 83 13.007 -0.940 -2.555 512 H LEU 84 H LEU 84 14.329 2.395 -0.393 513 HA LEU 84 HA LEU 84 12.920 3.668 1.847 514 HB2 LEU 84 HB1 LEU 84 15.473 2.448 1.962 515 HB3 LEU 84 HB2 LEU 84 15.722 4.201 2.024 516 HG LEU 84 HG LEU 84 13.698 3.803 3.851 517 HD11 LEU 84 HD11 LEU 84 13.917 1.408 3.780 518 HD12 LEU 84 HD12 LEU 84 14.551 2.001 5.314 519 HD13 LEU 84 HD13 LEU 84 15.659 1.522 4.029 520 HD21 LEU 84 HD21 LEU 84 15.226 4.595 5.392 521 HD22 LEU 84 HD22 LEU 84 15.924 5.141 3.866 522 HD23 LEU 84 HD23 LEU 84 16.571 3.711 4.672 523 H CYS 85 H CYS 85 13.486 5.976 2.107 524 HA CYS 85 HA CYS 85 13.705 7.230 -0.515 525 HB2 CYS 85 HB1 CYS 85 11.903 7.780 1.229 526 HB3 CYS 85 HB2 CYS 85 13.178 8.636 2.097 527 H VAL 86 H VAL 86 15.772 7.456 -1.143 528 HA VAL 86 HA VAL 86 17.657 8.684 0.762 529 HB VAL 86 HB VAL 86 18.325 6.946 -1.618 530 HG11 VAL 86 HG11 VAL 86 20.603 7.029 -0.817 531 HG12 VAL 86 HG12 VAL 86 20.012 8.670 -1.080 532 HG13 VAL 86 HG13 VAL 86 20.117 8.022 0.557 533 HG21 VAL 86 HG21 VAL 86 18.137 6.364 1.319 534 HG22 VAL 86 HG22 VAL 86 17.418 5.485 -0.030 535 HG23 VAL 86 HG23 VAL 86 19.158 5.402 0.250 536 H ASN 87 H ASN 87 18.456 10.625 0.269 537 HA ASN 87 HA ASN 87 18.789 12.595 -0.820 538 HB2 ASN 87 HB1 ASN 87 20.243 10.828 -2.116 539 HB3 ASN 87 HB2 ASN 87 19.072 11.111 -3.408 540 HD21 ASN 87 HD21 ASN 87 21.181 12.864 -1.171 541 HD22 ASN 87 HD22 ASN 87 21.588 14.130 -2.274 542 H ASP 88 H ASP 88 16.097 11.811 -0.543 543 HA ASP 88 HA ASP 88 14.017 12.436 -1.220 544 HB2 ASP 88 HB1 ASP 88 15.614 14.539 -1.867 545 HB3 ASP 88 HB2 ASP 88 14.944 14.133 -3.453 546 HD2 ASP 88 HD ASP 88 12.465 15.535 -0.694 547 H VAL 89 H VAL 89 15.483 10.206 -2.510 548 HA VAL 89 HA VAL 89 13.697 9.908 -4.813 549 HB VAL 89 HB VAL 89 16.649 9.268 -4.913 550 HG11 VAL 89 HG11 VAL 89 16.089 8.834 -7.352 551 HG12 VAL 89 HG12 VAL 89 15.536 7.628 -6.189 552 HG13 VAL 89 HG13 VAL 89 14.399 8.802 -6.852 553 HG21 VAL 89 HG21 VAL 89 16.337 10.968 -6.917 554 HG22 VAL 89 HG22 VAL 89 15.020 11.550 -5.900 555 HG23 VAL 89 HG23 VAL 89 16.670 11.523 -5.277 556 H CYS 90 H CYS 90 12.945 7.855 -5.138 557 HA CYS 90 HA CYS 90 13.040 6.051 -2.962 558 HB2 CYS 90 HB1 CYS 90 11.889 5.995 -5.726 559 HB3 CYS 90 HB2 CYS 90 11.974 4.490 -4.807 560 H THR 91 H THR 91 14.858 5.015 -2.438 561 HA THR 91 HA THR 91 16.356 3.670 -4.593 562 HB THR 91 HB THR 91 17.492 4.607 -1.953 563 HG1 THR 91 HG1 THR 91 17.249 5.848 -4.453 564 HG21 THR 91 HG21 THR 91 18.727 3.416 -4.432 565 HG22 THR 91 HG22 THR 91 18.751 2.764 -2.794 566 HG23 THR 91 HG23 THR 91 19.660 4.226 -3.175 567 H THR 92 H THR 92 16.684 1.528 -4.427 568 HA THR 92 HA THR 92 15.200 -0.001 -2.581 569 HB THR 92 HB THR 92 17.374 -1.527 -3.712 570 HG1 THR 92 HG1 THR 92 17.199 -0.978 -5.821 571 HG21 THR 92 HG21 THR 92 15.703 -2.975 -4.206 572 HG22 THR 92 HG22 THR 92 14.653 -1.709 -4.844 573 HG23 THR 92 HG23 THR 92 14.783 -1.953 -3.102 574 H MET 93 H MET 93 15.887 -1.359 -0.891 575 HA MET 93 HA MET 93 17.776 -0.263 0.864 576 HB2 MET 93 HB1 MET 93 16.221 -2.810 0.739 577 HB3 MET 93 HB2 MET 93 17.562 -2.702 1.890 578 HG2 MET 93 HG1 MET 93 16.552 -0.714 2.905 579 HG3 MET 93 HG2 MET 93 15.217 -0.822 1.757 580 HE1 MET 93 HE1 MET 93 15.641 -2.436 5.734 581 HE2 MET 93 HE2 MET 93 16.115 -0.961 4.893 582 HE3 MET 93 HE3 MET 93 14.424 -1.229 5.320 583 H GLU 94 H GLU 94 18.011 -2.904 -1.461 584 HA GLU 94 HA GLU 94 20.577 -3.803 -0.664 585 HB2 GLU 94 HB1 GLU 94 19.091 -4.068 -3.285 586 HB3 GLU 94 HB2 GLU 94 20.616 -4.890 -2.922 587 HG2 GLU 94 HG1 GLU 94 19.595 -6.132 -1.132 588 HG3 GLU 94 HG2 GLU 94 18.086 -5.231 -1.330 589 HE2 GLU 94 HE GLU 94 18.853 -8.203 -3.813 590 H ASP 95 H ASP 95 19.469 -1.227 -2.717 591 HA ASP 95 HA ASP 95 22.052 -0.790 -3.937 592 HB2 ASP 95 HB1 ASP 95 19.497 -0.181 -4.693 593 HB3 ASP 95 HB2 ASP 95 20.060 1.377 -4.075 594 HD2 ASP 95 HD ASP 95 21.100 0.562 -7.625 595 H ALA 96 H ALA 96 20.093 0.668 -1.391 596 HA ALA 96 HA ALA 96 21.734 2.911 -0.914 597 HB1 ALA 96 HB1 ALA 96 20.602 2.547 1.489 598 HB2 ALA 96 HB2 ALA 96 19.747 3.245 0.112 599 HB3 ALA 96 HB3 ALA 96 19.538 1.539 0.506 600 H THR 97 H THR 97 23.821 2.780 -0.411 601 HA THR 97 HA THR 97 24.665 0.743 1.547 602 HB THR 97 HB THR 97 25.658 0.468 -0.725 603 HG1 THR 97 HG1 THR 97 26.763 -0.009 1.388 604 HG21 THR 97 HG21 THR 97 27.482 2.752 -0.305 605 HG22 THR 97 HG22 THR 97 25.839 3.157 -0.804 606 HG23 THR 97 HG23 THR 97 26.824 2.085 -1.799 607 H GLU 98 H GLU 98 24.699 4.107 0.662 608 HA GLU 98 HA GLU 98 25.315 5.989 1.781 609 HB2 GLU 98 HB1 GLU 98 23.946 4.871 3.569 610 HB3 GLU 98 HB2 GLU 98 25.458 4.231 4.231 611 HG2 GLU 98 HG1 GLU 98 26.193 6.291 4.955 612 HG3 GLU 98 HG2 GLU 98 25.180 7.165 3.798 613 HE2 GLU 98 HE GLU 98 22.807 5.729 6.549 614 H ASN 99 H ASN 99 27.305 6.091 0.655 615 HA ASN 99 HA ASN 99 29.562 6.311 0.481 616 HB2 ASN 99 HB1 ASN 99 28.899 6.960 3.149 617 HB3 ASN 99 HB2 ASN 99 30.352 5.954 3.229 618 HD21 ASN 99 HD21 ASN 99 29.025 8.708 1.438 619 HD22 ASN 99 HD22 ASN 99 30.518 9.568 1.314 620 H LEU 100 H LEU 100 31.724 5.206 1.594 621 HA LEU 100 HA LEU 100 31.243 2.318 1.749 622 HB2 LEU 100 HB1 LEU 100 32.479 3.742 -0.434 623 HB3 LEU 100 HB2 LEU 100 33.637 2.634 0.326 624 HG LEU 100 HG LEU 100 31.615 0.932 0.052 625 HD11 LEU 100 HD11 LEU 100 30.439 3.062 -1.089 626 HD12 LEU 100 HD12 LEU 100 30.079 1.393 -1.531 627 HD13 LEU 100 HD13 LEU 100 31.206 2.340 -2.504 628 HD21 LEU 100 HD21 LEU 100 34.029 1.482 -1.285 629 HD22 LEU 100 HD22 LEU 100 32.829 1.135 -2.531 630 HD23 LEU 100 HD23 LEU 100 33.131 -0.036 -1.246 631 H TYR 101 H TYR 101 33.320 1.146 2.374 632 HA TYR 101 HA TYR 101 34.452 2.544 4.655 633 HB2 TYR 101 HB1 TYR 101 34.451 -0.317 3.717 634 HB3 TYR 101 HB2 TYR 101 35.555 0.216 4.988 635 HD1 TYR 101 HD1 TYR 101 31.953 -0.002 4.116 636 HD2 TYR 101 HD2 TYR 101 34.833 0.453 7.215 637 HE1 TYR 101 HE1 TYR 101 30.179 -0.280 5.798 638 HE2 TYR 101 HE2 TYR 101 33.068 0.176 8.904 639 HH TYR 101 HH TYR 101 29.716 -0.505 7.966 640 H PHE 102 H PHE 102 36.628 2.932 4.988 641 HA PHE 102 HA PHE 102 38.295 2.808 2.567 642 HB2 PHE 102 HB1 PHE 102 38.008 4.797 4.763 643 HB3 PHE 102 HB2 PHE 102 39.625 4.569 4.094 644 HD1 PHE 102 HD1 PHE 102 40.163 6.281 2.669 645 HD2 PHE 102 HD2 PHE 102 36.231 4.655 2.544 646 HE1 PHE 102 HE1 PHE 102 39.617 7.756 0.777 647 HE2 PHE 102 HE2 PHE 102 35.679 6.127 0.652 648 HZ PHE 102 HZ PHE 102 37.373 7.680 -0.234 649 H GLN 103 H GLN 103 39.843 1.331 2.578 650 HA GLN 103 HA GLN 103 40.762 0.232 5.125 651 HB2 GLN 103 HB1 GLN 103 40.169 -0.905 2.631 652 HB3 GLN 103 HB2 GLN 103 41.929 -1.006 2.789 653 HG2 GLN 103 HG1 GLN 103 41.816 -2.327 4.712 654 HG3 GLN 103 HG2 GLN 103 40.122 -1.906 4.998 655 HE21 GLN 103 HE21 GLN 103 39.705 -4.164 5.158 656 HE22 GLN 103 HE22 GLN 103 39.531 -5.127 3.735 657 H SER 104 H SER 104 43.195 -0.527 4.948 658 HA SER 104 HA SER 104 44.795 1.716 3.915 659 HB2 SER 104 HB1 SER 104 44.296 1.293 6.597 660 HB3 SER 104 HB2 SER 104 45.857 0.487 6.355 661 HG SER 104 HG SER 104 45.983 2.771 6.877 662 H LEU 105 H LEU 105 47.276 0.998 4.321 663 HA LEU 105 HA LEU 105 47.716 -1.798 3.721 664 HB2 LEU 105 HB1 LEU 105 47.710 0.295 1.668 665 HB3 LEU 105 HB2 LEU 105 49.193 -0.676 1.705 666 HG LEU 105 HG LEU 105 46.839 -2.357 1.791 667 HD11 LEU 105 HD11 LEU 105 46.955 -0.190 -0.237 668 HD12 LEU 105 HD12 LEU 105 45.562 -0.974 0.506 669 HD13 LEU 105 HD13 LEU 105 46.465 -1.801 -0.763 670 HD21 LEU 105 HD21 LEU 105 49.389 -2.106 0.299 671 HD22 LEU 105 HD22 LEU 105 48.092 -3.033 -0.456 672 HD23 LEU 105 HD23 LEU 105 48.694 -3.494 1.136 673 H GLU 106 H GLU 106 49.210 1.433 3.712 674 HA GLU 106 HA GLU 106 51.513 0.262 5.131 675 HB2 GLU 106 HB1 GLU 106 52.893 2.069 4.136 676 HB3 GLU 106 HB2 GLU 106 52.211 0.965 2.930 677 HG2 GLU 106 HG1 GLU 106 50.409 2.611 2.489 678 HG3 GLU 106 HG2 GLU 106 51.216 3.724 3.604 679 HE2 GLU 106 HE GLU 106 53.777 3.106 0.753 680 H HIS 107 H HIS 107 52.409 1.432 6.836 681 HA HIS 107 HA HIS 107 50.885 3.783 7.734 682 HB2 HIS 107 HB1 HIS 107 51.379 1.217 9.126 683 HB3 HIS 107 HB2 HIS 107 51.611 2.673 10.098 684 HD1 HIS 107 HD1 HIS 107 49.580 3.039 11.447 685 HD2 HIS 107 HD2 HIS 107 48.662 1.777 7.597 686 HE1 HIS 107 HE1 HIS 107 47.068 3.046 11.318 687 HE2 HIS 107 HE2 HIS 107 46.506 2.276 8.965 688 H HIS 108 H HIS 108 52.124 4.831 9.672 689 HA HIS 108 HA HIS 108 55.019 4.694 9.292 690 HB2 HIS 108 HB1 HIS 108 53.344 6.795 8.273 691 HB3 HIS 108 HB2 HIS 108 54.398 7.446 9.532 692 HD1 HIS 108 HD1 HIS 108 57.042 6.301 9.126 693 HD2 HIS 108 HD2 HIS 108 54.577 7.151 5.892 694 HE1 HIS 108 HE1 HIS 108 58.579 6.509 7.146 695 HE2 HIS 108 HE2 HIS 108 57.073 7.029 5.168 696 H HIS 109 H HIS 109 55.997 6.496 10.887 697 HA HIS 109 HA HIS 109 54.581 6.991 13.292 698 HB2 HIS 109 HB1 HIS 109 55.504 4.379 13.082 699 HB3 HIS 109 HB2 HIS 109 56.743 5.184 14.050 700 HD1 HIS 109 HD1 HIS 109 54.363 3.066 14.914 701 HD2 HIS 109 HD2 HIS 109 54.733 7.097 15.847 702 HE1 HIS 109 HE1 HIS 109 53.013 3.398 17.009 703 HE2 HIS 109 HE2 HIS 109 53.239 5.862 17.581 704 H HIS 110 H HIS 110 57.765 6.448 11.838 705 HA HIS 110 HA HIS 110 58.627 9.046 12.836 706 HB2 HIS 110 HB1 HIS 110 59.331 6.769 14.229 707 HB3 HIS 110 HB2 HIS 110 60.723 7.030 13.173 708 HD1 HIS 110 HD1 HIS 110 62.446 8.073 14.620 709 HD2 HIS 110 HD2 HIS 110 58.704 9.795 15.165 710 HE1 HIS 110 HE1 HIS 110 62.816 10.002 16.190 711 HE2 HIS 110 HE2 HIS 110 60.529 11.055 16.524 712 H HIS 111 H HIS 111 60.953 9.479 11.970 713 HA HIS 111 HA HIS 111 60.850 8.969 9.114 714 HB2 HIS 111 HB1 HIS 111 61.988 11.001 10.867 715 HB3 HIS 111 HB2 HIS 111 63.131 10.478 9.626 716 HD1 HIS 111 HD1 HIS 111 59.941 12.341 10.068 717 HD2 HIS 111 HD2 HIS 111 62.407 11.088 6.968 718 HE1 HIS 111 HE1 HIS 111 59.157 13.597 8.035 719 HE2 HIS 111 HE2 HIS 111 60.664 12.834 6.140 720 H HIS 112 H HIS 112 61.611 7.006 8.570 721 HA HIS 112 HA HIS 112 64.020 5.974 9.851 722 HB2 HIS 112 HB1 HIS 112 61.903 4.593 9.386 723 HB3 HIS 112 HB2 HIS 112 62.425 4.594 7.698 724 HD1 HIS 112 HD1 HIS 112 63.819 2.665 7.053 725 HD2 HIS 112 HD2 HIS 112 64.135 3.501 11.110 726 HE1 HIS 112 HE1 HIS 112 65.315 0.875 7.994 727 HE2 HIS 112 HE2 HIS 112 65.509 1.386 10.473 Start of MODEL 23 1 H1 MET 18 H MET 18 24.172 0.734 -14.247 2 HA MET 18 HA MET 18 24.043 -1.167 -15.507 3 HB2 MET 18 HB1 MET 18 26.103 -2.471 -15.620 4 HB3 MET 18 HB2 MET 18 26.459 -0.740 -15.551 5 HG2 MET 18 HG1 MET 18 26.473 -1.498 -12.891 6 HG3 MET 18 HG2 MET 18 27.211 -2.866 -13.729 7 HE1 MET 18 HE1 MET 18 30.417 -1.111 -12.471 8 HE2 MET 18 HE2 MET 18 28.900 -1.447 -11.635 9 HE3 MET 18 HE3 MET 18 29.601 -2.657 -12.712 10 H LEU 19 H LEU 19 24.590 -1.640 -12.096 11 HA LEU 19 HA LEU 19 22.754 -3.871 -12.089 12 HB2 LEU 19 HB1 LEU 19 25.288 -4.602 -12.459 13 HB3 LEU 19 HB2 LEU 19 25.319 -4.419 -10.697 14 HG LEU 19 HG LEU 19 24.930 -6.721 -11.219 15 HD11 LEU 19 HD11 LEU 19 22.213 -5.705 -10.474 16 HD12 LEU 19 HD12 LEU 19 23.588 -5.508 -9.388 17 HD13 LEU 19 HD13 LEU 19 23.077 -7.123 -9.878 18 HD21 LEU 19 HD21 LEU 19 22.761 -7.304 -12.446 19 HD22 LEU 19 HD22 LEU 19 24.121 -6.735 -13.412 20 HD23 LEU 19 HD23 LEU 19 22.793 -5.640 -13.027 21 H VAL 20 H VAL 20 21.414 -2.747 -10.743 22 HA VAL 20 HA VAL 20 22.479 -1.643 -8.259 23 HB VAL 20 HB VAL 20 19.667 -1.549 -9.362 24 HG11 VAL 20 HG11 VAL 20 20.946 -0.206 -6.988 25 HG12 VAL 20 HG12 VAL 20 19.398 0.287 -7.678 26 HG13 VAL 20 HG13 VAL 20 19.584 -1.327 -6.989 27 HG21 VAL 20 HG21 VAL 20 20.375 0.939 -9.612 28 HG22 VAL 20 HG22 VAL 20 22.015 0.290 -9.588 29 HG23 VAL 20 HG23 VAL 20 20.878 -0.232 -10.831 30 H LEU 21 H LEU 21 21.867 -2.323 -6.220 31 HA LEU 21 HA LEU 21 21.273 -5.085 -5.934 32 HB2 LEU 21 HB1 LEU 21 21.412 -2.822 -3.940 33 HB3 LEU 21 HB2 LEU 21 21.141 -4.514 -3.490 34 HG LEU 21 HG LEU 21 23.526 -4.081 -5.141 35 HD11 LEU 21 HD11 LEU 21 24.630 -3.358 -2.811 36 HD12 LEU 21 HD12 LEU 21 23.079 -2.532 -2.668 37 HD13 LEU 21 HD13 LEU 21 24.130 -2.201 -4.045 38 HD21 LEU 21 HD21 LEU 21 23.343 -6.208 -4.256 39 HD22 LEU 21 HD22 LEU 21 22.728 -5.626 -2.709 40 HD23 LEU 21 HD23 LEU 21 24.434 -5.424 -3.113 41 H ASP 22 H ASP 22 19.386 -6.102 -5.711 42 HA ASP 22 HA ASP 22 17.048 -4.716 -4.703 43 HB2 ASP 22 HB1 ASP 22 17.291 -5.685 -7.547 44 HB3 ASP 22 HB2 ASP 22 15.718 -5.589 -6.744 45 HD2 ASP 22 HD ASP 22 16.979 -2.371 -8.336 46 H PHE 23 H PHE 23 15.079 -6.389 -5.007 47 HA PHE 23 HA PHE 23 15.591 -9.137 -4.990 48 HB2 PHE 23 HB1 PHE 23 16.463 -7.860 -2.621 49 HB3 PHE 23 HB2 PHE 23 14.981 -8.725 -2.208 50 HD1 PHE 23 HD1 PHE 23 18.438 -9.032 -2.443 51 HD2 PHE 23 HD2 PHE 23 14.848 -11.190 -3.199 52 HE1 PHE 23 HE1 PHE 23 19.686 -11.147 -2.311 53 HE2 PHE 23 HE2 PHE 23 16.091 -13.310 -3.067 54 HZ PHE 23 HZ PHE 23 18.513 -13.291 -2.622 55 H ASN 24 H ASN 24 13.675 -6.668 -3.291 56 HA ASN 24 HA ASN 24 11.431 -6.359 -3.086 57 HB2 ASN 24 HB1 ASN 24 11.770 -7.685 -5.681 58 HB3 ASN 24 HB2 ASN 24 10.174 -7.936 -4.965 59 HD21 ASN 24 HD21 ASN 24 11.826 -6.016 -6.989 60 HD22 ASN 24 HD22 ASN 24 10.918 -4.554 -6.837 61 H ASN 25 H ASN 25 11.296 -7.368 -1.071 62 HA ASN 25 HA ASN 25 10.420 -10.176 -1.088 63 HB2 ASN 25 HB1 ASN 25 12.250 -8.723 0.571 64 HB3 ASN 25 HB2 ASN 25 10.898 -9.273 1.567 65 HD21 ASN 25 HD21 ASN 25 13.697 -10.139 1.513 66 HD22 ASN 25 HD22 ASN 25 13.654 -11.844 1.240 67 H ILE 26 H ILE 26 8.475 -10.759 -0.252 68 HA ILE 26 HA ILE 26 6.386 -8.907 -0.172 69 HB ILE 26 HB ILE 26 5.021 -10.696 0.806 70 HG12 ILE 26 HG11 ILE 26 6.562 -12.950 0.858 71 HG13 ILE 26 HG12 ILE 26 7.682 -11.745 1.514 72 HG21 ILE 26 HG21 ILE 26 6.744 -11.087 -1.554 73 HG22 ILE 26 HG22 ILE 26 5.893 -12.517 -0.971 74 HG23 ILE 26 HG23 ILE 26 4.985 -11.073 -1.420 75 HD11 ILE 26 HD11 ILE 26 5.237 -12.877 2.691 76 HD12 ILE 26 HD12 ILE 26 6.719 -12.314 3.461 77 HD13 ILE 26 HD13 ILE 26 5.495 -11.152 2.950 78 H ARG 27 H ARG 27 5.140 -8.082 1.540 79 HA ARG 27 HA ARG 27 6.085 -8.382 4.263 80 HB2 ARG 27 HB1 ARG 27 7.520 -6.592 3.295 81 HB3 ARG 27 HB2 ARG 27 6.057 -5.654 2.961 82 HG2 ARG 27 HG1 ARG 27 6.348 -4.719 4.957 83 HG3 ARG 27 HG2 ARG 27 5.817 -6.266 5.637 84 HD2 ARG 27 HD1 ARG 27 7.842 -5.859 6.730 85 HD3 ARG 27 HD2 ARG 27 8.274 -6.980 5.432 86 HE ARG 27 HE ARG 27 8.583 -4.315 4.549 87 HH11 ARG 27 HH11 ARG 27 10.046 -6.689 6.634 88 HH12 ARG 27 HH12 ARG 27 11.641 -6.029 6.483 89 HH21 ARG 27 HH21 ARG 27 10.679 -3.436 4.344 90 HH22 ARG 27 HH22 ARG 27 11.999 -4.177 5.181 91 H SER 28 H SER 28 4.039 -9.211 4.697 92 HA SER 28 HA SER 28 2.064 -7.330 5.435 93 HB2 SER 28 HB1 SER 28 0.255 -8.297 3.876 94 HB3 SER 28 HB2 SER 28 1.403 -7.141 3.178 95 HG SER 28 HG SER 28 2.369 -8.720 2.073 96 H SER 29 H SER 29 1.700 -8.271 7.345 97 HA SER 29 HA SER 29 0.830 -11.084 7.342 98 HB2 SER 29 HB1 SER 29 3.182 -10.564 8.328 99 HB3 SER 29 HB2 SER 29 2.276 -9.881 9.689 100 HG SER 29 HG SER 29 2.493 -11.953 10.260 101 H ALA 30 H ALA 30 -0.696 -8.575 7.228 102 HA ALA 30 HA ALA 30 -2.730 -9.216 9.059 103 HB1 ALA 30 HB1 ALA 30 -2.450 -6.838 10.238 104 HB2 ALA 30 HB2 ALA 30 -1.751 -8.318 10.895 105 HB3 ALA 30 HB3 ALA 30 -0.749 -7.210 9.957 106 H ASP 31 H ASP 31 -4.560 -8.536 8.158 107 HA ASP 31 HA ASP 31 -4.545 -6.039 6.611 108 HB2 ASP 31 HB1 ASP 31 -5.865 -7.049 4.840 109 HB3 ASP 31 HB2 ASP 31 -4.357 -7.949 5.049 110 HD2 ASP 31 HD ASP 31 -6.014 -10.814 6.037 111 H LEU 32 H LEU 32 -6.221 -4.731 7.021 112 HA LEU 32 HA LEU 32 -8.533 -5.854 8.459 113 HB2 LEU 32 HB1 LEU 32 -7.535 -3.051 8.884 114 HB3 LEU 32 HB2 LEU 32 -8.626 -4.011 9.898 115 HG LEU 32 HG LEU 32 -5.649 -4.399 9.599 116 HD11 LEU 32 HD11 LEU 32 -5.437 -3.553 11.762 117 HD12 LEU 32 HD12 LEU 32 -7.161 -3.710 12.095 118 HD13 LEU 32 HD13 LEU 32 -6.587 -2.463 10.989 119 HD21 LEU 32 HD21 LEU 32 -7.737 -6.205 10.467 120 HD22 LEU 32 HD22 LEU 32 -6.569 -5.890 11.751 121 HD23 LEU 32 HD23 LEU 32 -6.022 -6.511 10.192 122 H HIS 33 H HIS 33 -10.483 -4.407 8.334 123 HA HIS 33 HA HIS 33 -10.603 -2.750 5.938 124 HB2 HIS 33 HB1 HIS 33 -11.335 -5.384 5.754 125 HB3 HIS 33 HB2 HIS 33 -12.875 -4.608 6.139 126 HD1 HIS 33 HD1 HIS 33 -10.100 -3.368 3.852 127 HD2 HIS 33 HD2 HIS 33 -14.123 -4.400 3.745 128 HE1 HIS 33 HE1 HIS 33 -10.872 -2.823 1.522 129 HE2 HIS 33 HE2 HIS 33 -13.331 -3.452 1.456 130 H GLY 34 H GLY 34 -12.382 -1.312 5.888 131 HA2 GLY 34 HA2 GLY 34 -14.463 -0.515 6.835 132 HA3 GLY 34 HA3 GLY 34 -13.963 -1.197 8.374 133 HA1 GLY 34 HA1 GLY 34 -13.696 -0.240 6.496 134 H ALA 35 H ALA 35 -14.403 1.622 6.808 135 HA ALA 35 HA ALA 35 -12.899 3.102 8.759 136 HB1 ALA 35 HB1 ALA 35 -11.130 2.676 7.147 137 HB2 ALA 35 HB2 ALA 35 -12.127 3.346 5.854 138 HB3 ALA 35 HB3 ALA 35 -11.559 4.387 7.159 139 H ARG 36 H ARG 36 -15.668 2.754 7.764 140 HA ARG 36 HA ARG 36 -17.529 4.013 7.411 141 HB2 ARG 36 HB1 ARG 36 -15.888 5.492 9.085 142 HB3 ARG 36 HB2 ARG 36 -16.326 6.638 7.809 143 HG2 ARG 36 HG1 ARG 36 -18.221 7.014 8.897 144 HG3 ARG 36 HG2 ARG 36 -18.712 5.368 8.461 145 HD2 ARG 36 HD1 ARG 36 -17.937 4.473 10.512 146 HD3 ARG 36 HD2 ARG 36 -17.039 5.949 10.889 147 HE ARG 36 HE ARG 36 -19.871 6.365 10.643 148 HH11 ARG 36 HH11 ARG 36 -17.289 5.441 12.786 149 HH12 ARG 36 HH12 ARG 36 -18.148 5.884 14.225 150 HH21 ARG 36 HH21 ARG 36 -21.013 6.952 12.528 151 HH22 ARG 36 HH22 ARG 36 -20.267 6.742 14.076 152 H LYS 37 H LYS 37 -18.288 6.136 6.185 153 HA LYS 37 HA LYS 37 -16.895 6.106 3.593 154 HB2 LYS 37 HB1 LYS 37 -19.138 6.936 2.711 155 HB3 LYS 37 HB2 LYS 37 -19.070 5.256 3.267 156 HG2 LYS 37 HG1 LYS 37 -20.522 5.601 4.947 157 HG3 LYS 37 HG2 LYS 37 -19.858 7.202 5.319 158 HD2 LYS 37 HD1 LYS 37 -20.981 7.731 2.926 159 HD3 LYS 37 HD2 LYS 37 -22.051 6.436 3.491 160 HE2 LYS 37 HE1 LYS 37 -21.346 8.766 5.264 161 HE3 LYS 37 HE2 LYS 37 -22.660 8.863 4.082 162 HZ1 LYS 37 HZ1 LYS 37 -23.436 8.202 6.292 163 HZ2 LYS 37 HZ2 LYS 37 -22.465 6.819 6.228 164 HZ3 LYS 37 HZ3 LYS 37 -23.745 7.004 5.138 165 H GLY 38 H GLY 38 -15.570 7.824 3.518 166 HA2 GLY 38 HA2 GLY 38 -16.763 10.466 3.672 167 HA3 GLY 38 HA3 GLY 38 -15.517 10.141 4.868 168 HA1 GLY 38 HA1 GLY 38 -16.551 9.905 3.024 169 H SER 39 H SER 39 -16.014 11.592 2.016 170 HA SER 39 HA SER 39 -14.707 12.280 0.282 171 HB2 SER 39 HB1 SER 39 -12.181 11.643 1.717 172 HB3 SER 39 HB2 SER 39 -12.691 13.143 0.922 173 HG SER 39 HG SER 39 -12.605 12.854 3.427 174 H GLN 40 H GLN 40 -12.351 11.568 -0.797 175 HA GLN 40 HA GLN 40 -12.947 9.001 -1.926 176 HB2 GLN 40 HB1 GLN 40 -11.202 11.264 -2.523 177 HB3 GLN 40 HB2 GLN 40 -10.421 9.703 -2.826 178 HG2 GLN 40 HG1 GLN 40 -11.455 10.437 -4.851 179 HG3 GLN 40 HG2 GLN 40 -12.358 9.053 -4.221 180 HE21 GLN 40 HE21 GLN 40 -14.432 9.297 -4.606 181 HE22 GLN 40 HE22 GLN 40 -15.339 10.757 -4.434 182 H CYS 41 H CYS 41 -9.915 10.220 -0.492 183 HA CYS 41 HA CYS 41 -9.653 7.821 1.111 184 HB2 CYS 41 HB1 CYS 41 -7.360 7.345 0.200 185 HB3 CYS 41 HB2 CYS 41 -8.686 6.980 -0.905 186 H LEU 42 H LEU 42 -8.347 8.097 2.880 187 HA LEU 42 HA LEU 42 -7.360 10.825 3.303 188 HB2 LEU 42 HB1 LEU 42 -8.325 8.633 5.081 189 HB3 LEU 42 HB2 LEU 42 -7.153 9.793 5.728 190 HG LEU 42 HG LEU 42 -9.442 10.403 6.317 191 HD11 LEU 42 HD11 LEU 42 -8.946 12.553 4.429 192 HD12 LEU 42 HD12 LEU 42 -7.490 12.055 5.290 193 HD13 LEU 42 HD13 LEU 42 -8.918 12.564 6.192 194 HD21 LEU 42 HD21 LEU 42 -10.628 9.442 4.441 195 HD22 LEU 42 HD22 LEU 42 -9.858 10.581 3.334 196 HD23 LEU 42 HD23 LEU 42 -10.990 11.165 4.555 197 H SER 43 H SER 43 -6.323 7.534 3.014 198 HA SER 43 HA SER 43 -3.551 8.398 3.059 199 HB2 SER 43 HB1 SER 43 -4.748 7.095 5.312 200 HB3 SER 43 HB2 SER 43 -3.587 5.984 4.564 201 HG SER 43 HG SER 43 -2.702 7.470 6.169 202 H ASP 44 H ASP 44 -2.183 6.165 2.813 203 HA ASP 44 HA ASP 44 -2.868 5.211 0.233 204 HB2 ASP 44 HB1 ASP 44 -0.911 3.775 0.432 205 HB3 ASP 44 HB2 ASP 44 -0.537 5.394 1.037 206 HD2 ASP 44 HD ASP 44 -0.354 4.211 4.354 207 H THR 45 H THR 45 -3.299 3.945 3.475 208 HA THR 45 HA THR 45 -3.912 1.291 2.880 209 HB THR 45 HB THR 45 -5.593 1.908 4.997 210 HG1 THR 45 HG1 THR 45 -3.223 3.414 5.380 211 HG21 THR 45 HG21 THR 45 -2.743 1.407 5.625 212 HG22 THR 45 HG22 THR 45 -3.537 0.244 4.563 213 HG23 THR 45 HG23 THR 45 -4.190 0.560 6.170 214 H ASP 46 H ASP 46 -5.753 4.182 2.411 215 HA ASP 46 HA ASP 46 -8.332 3.008 2.273 216 HB2 ASP 46 HB1 ASP 46 -7.235 5.602 2.084 217 HB3 ASP 46 HB2 ASP 46 -8.098 5.320 0.567 218 HD2 ASP 46 HD ASP 46 -10.203 5.617 3.901 219 H CYS 47 H CYS 47 -5.694 3.275 0.032 220 HA CYS 47 HA CYS 47 -7.385 2.320 -2.167 221 HB2 CYS 47 HB1 CYS 47 -4.698 3.654 -2.027 222 HB3 CYS 47 HB2 CYS 47 -5.136 2.712 -3.452 223 H ASN 48 H ASN 48 -7.556 0.178 -2.252 224 HA ASN 48 HA ASN 48 -5.859 -1.670 -1.040 225 HB2 ASN 48 HB1 ASN 48 -8.039 -1.773 -3.050 226 HB3 ASN 48 HB2 ASN 48 -6.944 -3.160 -3.024 227 HD21 ASN 48 HD21 ASN 48 -9.751 -2.027 -1.822 228 HD22 ASN 48 HD22 ASN 48 -9.849 -2.949 -0.364 229 H THR 49 H THR 49 -4.911 -3.550 -2.542 230 HA THR 49 HA THR 49 -3.151 -4.197 -3.832 231 HB THR 49 HB THR 49 -3.230 -2.029 -5.779 232 HG1 THR 49 HG1 THR 49 -5.329 -1.791 -5.807 233 HG21 THR 49 HG21 THR 49 -3.475 -5.011 -5.749 234 HG22 THR 49 HG22 THR 49 -2.273 -3.995 -6.544 235 HG23 THR 49 HG23 THR 49 -3.904 -4.110 -7.202 236 H ARG 50 H ARG 50 -1.196 -2.997 -5.215 237 HA ARG 50 HA ARG 50 0.289 -1.650 -3.142 238 HB2 ARG 50 HB1 ARG 50 0.984 -2.552 -5.941 239 HB3 ARG 50 HB2 ARG 50 2.122 -1.679 -4.902 240 HG2 ARG 50 HG1 ARG 50 2.405 -3.442 -3.462 241 HG3 ARG 50 HG2 ARG 50 0.823 -4.138 -3.845 242 HD2 ARG 50 HD1 ARG 50 1.716 -5.474 -5.389 243 HD3 ARG 50 HD2 ARG 50 2.430 -4.080 -6.213 244 HE ARG 50 HE ARG 50 4.038 -4.618 -4.020 245 HH11 ARG 50 HH11 ARG 50 3.040 -6.218 -6.945 246 HH12 ARG 50 HH12 ARG 50 4.499 -7.142 -7.093 247 HH21 ARG 50 HH21 ARG 50 5.964 -5.827 -4.203 248 HH22 ARG 50 HH22 ARG 50 6.161 -6.919 -5.532 249 H LYS 51 H LYS 51 -1.304 0.195 -3.213 250 HA LYS 51 HA LYS 51 -0.174 2.308 -4.870 251 HB2 LYS 51 HB1 LYS 51 -3.026 1.379 -4.981 252 HB3 LYS 51 HB2 LYS 51 -2.638 3.084 -5.262 253 HG2 LYS 51 HG1 LYS 51 -2.365 2.526 -7.400 254 HG3 LYS 51 HG2 LYS 51 -0.843 1.777 -6.879 255 HD2 LYS 51 HD1 LYS 51 -2.550 -0.224 -6.288 256 HD3 LYS 51 HD2 LYS 51 -3.409 0.524 -7.644 257 HE2 LYS 51 HE1 LYS 51 -1.705 0.081 -9.158 258 HE3 LYS 51 HE2 LYS 51 -0.484 -0.045 -7.883 259 HZ1 LYS 51 HZ1 LYS 51 -0.877 -2.209 -7.626 260 HZ2 LYS 51 HZ2 LYS 51 -1.689 -2.135 -9.109 261 HZ3 LYS 51 HZ3 LYS 51 -2.558 -2.021 -7.662 262 H PHE 52 H PHE 52 -0.726 4.454 -4.116 263 HA PHE 52 HA PHE 52 -1.653 4.490 -1.320 264 HB2 PHE 52 HB1 PHE 52 -0.026 6.200 -0.798 265 HB3 PHE 52 HB2 PHE 52 0.804 4.810 -1.501 266 HD1 PHE 52 HD1 PHE 52 1.320 4.890 -4.020 267 HD2 PHE 52 HD2 PHE 52 0.331 8.316 -1.697 268 HE1 PHE 52 HE1 PHE 52 2.360 6.337 -5.717 269 HE2 PHE 52 HE2 PHE 52 1.368 9.768 -3.391 270 HZ PHE 52 HZ PHE 52 2.383 8.779 -5.405 271 H CYS 53 H CYS 53 -2.114 6.895 -0.667 272 HA CYS 53 HA CYS 53 -3.829 8.021 -2.780 273 HB2 CYS 53 HB1 CYS 53 -5.080 7.227 -0.847 274 HB3 CYS 53 HB2 CYS 53 -4.078 8.201 0.230 275 H LEU 54 H LEU 54 -2.737 9.619 -3.750 276 HA LEU 54 HA LEU 54 -0.987 11.363 -2.225 277 HB2 LEU 54 HB1 LEU 54 -0.163 10.650 -4.350 278 HB3 LEU 54 HB2 LEU 54 -1.655 11.169 -5.153 279 HG LEU 54 HG LEU 54 -0.604 13.472 -3.943 280 HD11 LEU 54 HD11 LEU 54 1.514 11.760 -5.210 281 HD12 LEU 54 HD12 LEU 54 1.543 12.559 -3.639 282 HD13 LEU 54 HD13 LEU 54 1.642 13.516 -5.117 283 HD21 LEU 54 HD21 LEU 54 -0.324 14.207 -6.256 284 HD22 LEU 54 HD22 LEU 54 -1.857 13.365 -6.033 285 HD23 LEU 54 HD23 LEU 54 -0.504 12.543 -6.812 286 H GLN 55 H GLN 55 -1.602 13.235 -1.380 287 HA GLN 55 HA GLN 55 -4.056 14.498 -2.412 288 HB2 GLN 55 HB1 GLN 55 -4.186 15.527 -0.077 289 HB3 GLN 55 HB2 GLN 55 -4.556 13.801 -0.221 290 HG2 GLN 55 HG1 GLN 55 -2.906 13.221 1.149 291 HG3 GLN 55 HG2 GLN 55 -1.746 14.246 0.294 292 HE21 GLN 55 HE21 GLN 55 -4.090 14.108 2.865 293 HE22 GLN 55 HE22 GLN 55 -3.575 15.540 3.682 294 HA PRO 56 HA PRO 56 -0.710 17.485 -3.345 295 HB2 PRO 56 HB1 PRO 56 -1.939 18.488 -5.577 296 HB3 PRO 56 HB2 PRO 56 -0.954 17.026 -5.583 297 HG2 PRO 56 HG1 PRO 56 -3.936 17.309 -5.412 298 HG3 PRO 56 HG2 PRO 56 -2.952 16.187 -6.424 299 HD2 PRO 56 HD1 PRO 56 -4.172 15.401 -4.130 300 HD3 PRO 56 HD2 PRO 56 -2.621 14.733 -4.666 301 H ARG 57 H ARG 57 -0.728 19.808 -3.369 302 HA ARG 57 HA ARG 57 -2.838 20.906 -1.727 303 HB2 ARG 57 HB1 ARG 57 -0.077 21.539 -2.338 304 HB3 ARG 57 HB2 ARG 57 -1.103 22.975 -2.462 305 HG2 ARG 57 HG1 ARG 57 -1.865 22.732 -0.206 306 HG3 ARG 57 HG2 ARG 57 -1.059 21.161 -0.064 307 HD2 ARG 57 HD1 ARG 57 1.025 22.755 -0.813 308 HD3 ARG 57 HD2 ARG 57 0.045 23.873 0.145 309 HE ARG 57 HE ARG 57 0.576 22.686 2.039 310 HH11 ARG 57 HH11 ARG 57 1.488 20.859 -0.781 311 HH12 ARG 57 HH12 ARG 57 2.366 19.664 0.117 312 HH21 ARG 57 HH21 ARG 57 1.728 21.121 3.232 313 HH22 ARG 57 HH22 ARG 57 2.500 19.814 2.399 314 H ASP 58 H ASP 58 -1.478 21.516 -4.949 315 HA ASP 58 HA ASP 58 -3.389 23.555 -5.575 316 HB2 ASP 58 HB1 ASP 58 -0.955 22.747 -6.625 317 HB3 ASP 58 HB2 ASP 58 -2.117 22.265 -7.866 318 HD2 ASP 58 HD ASP 58 -2.427 25.487 -8.943 319 H GLU 59 H GLU 59 -3.306 20.116 -5.784 320 HA GLU 59 HA GLU 59 -5.781 20.148 -7.384 321 HB2 GLU 59 HB1 GLU 59 -3.369 18.559 -7.587 322 HB3 GLU 59 HB2 GLU 59 -4.791 17.529 -7.366 323 HG2 GLU 59 HG1 GLU 59 -5.530 17.893 -9.434 324 HG3 GLU 59 HG2 GLU 59 -5.231 19.633 -9.318 325 HE2 GLU 59 HE GLU 59 -2.521 17.357 -11.057 326 H LYS 60 H LYS 60 -6.920 17.834 -6.937 327 HA LYS 60 HA LYS 60 -7.463 17.854 -4.053 328 HB2 LYS 60 HB1 LYS 60 -9.548 16.583 -4.740 329 HB3 LYS 60 HB2 LYS 60 -9.443 18.265 -5.286 330 HG2 LYS 60 HG1 LYS 60 -9.592 17.675 -7.421 331 HG3 LYS 60 HG2 LYS 60 -8.300 16.476 -7.237 332 HD2 LYS 60 HD1 LYS 60 -9.871 14.830 -6.405 333 HD3 LYS 60 HD2 LYS 60 -11.177 16.028 -6.441 334 HE2 LYS 60 HE1 LYS 60 -9.761 15.710 -9.002 335 HE3 LYS 60 HE2 LYS 60 -10.613 14.262 -8.445 336 HZ1 LYS 60 HZ1 LYS 60 -12.402 15.202 -9.348 337 HZ2 LYS 60 HZ2 LYS 60 -11.680 16.727 -9.454 338 HZ3 LYS 60 HZ3 LYS 60 -12.416 16.239 -8.011 339 HA PRO 61 HA PRO 61 -5.813 13.840 -3.395 340 HB2 PRO 61 HB1 PRO 61 -7.529 12.845 -1.506 341 HB3 PRO 61 HB2 PRO 61 -6.344 14.108 -1.176 342 HG2 PRO 61 HG1 PRO 61 -9.265 14.358 -1.812 343 HG3 PRO 61 HG2 PRO 61 -8.301 15.189 -0.534 344 HD2 PRO 61 HD1 PRO 61 -8.995 16.398 -2.863 345 HD3 PRO 61 HD2 PRO 61 -7.468 16.733 -2.028 346 H PHE 62 H PHE 62 -5.985 11.761 -4.121 347 HA PHE 62 HA PHE 62 -8.443 10.455 -4.662 348 HB2 PHE 62 HB1 PHE 62 -8.504 10.466 -7.039 349 HB3 PHE 62 HB2 PHE 62 -8.345 12.149 -6.536 350 HD1 PHE 62 HD1 PHE 62 -5.786 12.926 -6.262 351 HD2 PHE 62 HD2 PHE 62 -7.186 9.816 -8.809 352 HE1 PHE 62 HE1 PHE 62 -3.788 13.188 -7.674 353 HE2 PHE 62 HE2 PHE 62 -5.190 10.072 -10.224 354 HZ PHE 62 HZ PHE 62 -3.487 11.760 -9.658 355 H CYS 63 H CYS 63 -8.064 8.389 -5.934 356 HA CYS 63 HA CYS 63 -5.845 7.024 -4.791 357 HB2 CYS 63 HB1 CYS 63 -8.250 6.196 -5.578 358 HB3 CYS 63 HB2 CYS 63 -7.368 5.829 -7.061 359 H ALA 64 H ALA 64 -3.827 7.092 -5.497 360 HA ALA 64 HA ALA 64 -3.354 7.459 -8.384 361 HB1 ALA 64 HB1 ALA 64 -2.414 9.349 -7.483 362 HB2 ALA 64 HB2 ALA 64 -1.946 8.538 -5.988 363 HB3 ALA 64 HB3 ALA 64 -1.032 8.254 -7.470 364 H THR 65 H THR 65 -1.180 6.567 -9.092 365 HA THR 65 HA THR 65 -0.962 3.830 -8.081 366 HB THR 65 HB THR 65 0.704 4.477 -10.387 367 HG1 THR 65 HG1 THR 65 -1.112 4.760 -11.803 368 HG21 THR 65 HG21 THR 65 -1.024 2.600 -11.231 369 HG22 THR 65 HG22 THR 65 -1.196 2.396 -9.487 370 HG23 THR 65 HG23 THR 65 0.389 2.234 -10.243 371 H CYS 66 H CYS 66 1.179 2.852 -7.865 372 HA CYS 66 HA CYS 66 2.904 4.481 -6.284 373 HB2 CYS 66 HB1 CYS 66 2.642 1.650 -6.980 374 HB3 CYS 66 HB2 CYS 66 4.323 2.169 -6.837 375 H ARG 67 H ARG 67 5.367 4.314 -6.707 376 HA ARG 67 HA ARG 67 5.887 4.885 -9.551 377 HB2 ARG 67 HB1 ARG 67 7.052 6.303 -7.141 378 HB3 ARG 67 HB2 ARG 67 7.505 6.602 -8.827 379 HG2 ARG 67 HG1 ARG 67 4.624 6.826 -8.251 380 HG3 ARG 67 HG2 ARG 67 5.661 8.033 -7.471 381 HD2 ARG 67 HD1 ARG 67 6.724 8.169 -9.902 382 HD3 ARG 67 HD2 ARG 67 5.124 7.568 -10.360 383 HE ARG 67 HE ARG 67 5.767 10.202 -9.492 384 HH11 ARG 67 HH11 ARG 67 3.267 7.780 -9.433 385 HH12 ARG 67 HH12 ARG 67 1.979 8.926 -9.269 386 HH21 ARG 67 HH21 ARG 67 4.081 11.721 -9.276 387 HH22 ARG 67 HH22 ARG 67 2.443 11.168 -9.180 388 H GLY 68 H GLY 68 8.313 4.822 -10.029 389 HA2 GLY 68 HA2 GLY 68 9.292 2.255 -9.128 390 HA3 GLY 68 HA3 GLY 68 10.018 3.278 -10.359 391 HA1 GLY 68 HA1 GLY 68 9.093 2.836 -8.498 392 H LEU 69 H LEU 69 12.061 2.733 -9.368 393 HA LEU 69 HA LEU 69 12.588 3.716 -6.699 394 HB2 LEU 69 HB1 LEU 69 14.266 2.381 -8.813 395 HB3 LEU 69 HB2 LEU 69 14.971 3.041 -7.328 396 HG LEU 69 HG LEU 69 12.921 0.833 -7.487 397 HD11 LEU 69 HD11 LEU 69 15.468 0.528 -8.122 398 HD12 LEU 69 HD12 LEU 69 14.597 -0.679 -7.178 399 HD13 LEU 69 HD13 LEU 69 15.650 0.481 -6.368 400 HD21 LEU 69 HD21 LEU 69 12.477 1.913 -5.470 401 HD22 LEU 69 HD22 LEU 69 14.176 2.291 -5.186 402 HD23 LEU 69 HD23 LEU 69 13.601 0.632 -5.017 403 H ARG 70 H ARG 70 13.992 4.382 -9.913 404 HA ARG 70 HA ARG 70 15.473 6.618 -9.208 405 HB2 ARG 70 HB1 ARG 70 14.138 5.874 -11.815 406 HB3 ARG 70 HB2 ARG 70 15.221 7.264 -11.647 407 HG2 ARG 70 HG1 ARG 70 16.068 4.474 -10.903 408 HG3 ARG 70 HG2 ARG 70 16.234 5.121 -12.544 409 HD2 ARG 70 HD1 ARG 70 17.286 6.740 -10.264 410 HD3 ARG 70 HD2 ARG 70 18.192 5.311 -10.785 411 HE ARG 70 HE ARG 70 17.557 6.868 -13.038 412 HH11 ARG 70 HH11 ARG 70 19.584 6.929 -10.208 413 HH12 ARG 70 HH12 ARG 70 20.801 7.920 -10.941 414 HH21 ARG 70 HH21 ARG 70 19.153 8.173 -14.014 415 HH22 ARG 70 HH22 ARG 70 20.554 8.628 -13.105 416 H ARG 71 H ARG 71 12.060 6.287 -9.731 417 HA ARG 71 HA ARG 71 11.297 8.878 -10.328 418 HB2 ARG 71 HB1 ARG 71 9.998 6.623 -8.844 419 HB3 ARG 71 HB2 ARG 71 9.215 8.212 -8.864 420 HG2 ARG 71 HG1 ARG 71 10.009 6.668 -11.334 421 HG3 ARG 71 HG2 ARG 71 8.388 6.682 -10.620 422 HD2 ARG 71 HD1 ARG 71 8.629 9.287 -10.815 423 HD3 ARG 71 HD2 ARG 71 9.861 8.873 -12.016 424 HE ARG 71 HE ARG 71 7.583 7.401 -12.633 425 HH11 ARG 71 HH11 ARG 71 8.569 10.736 -12.471 426 HH12 ARG 71 HH12 ARG 71 7.471 11.256 -13.707 427 HH21 ARG 71 HH21 ARG 71 6.133 8.074 -14.260 428 HH22 ARG 71 HH22 ARG 71 6.086 9.741 -14.722 429 H ARG 72 H ARG 72 10.877 10.715 -9.160 430 HA ARG 72 HA ARG 72 12.330 11.023 -6.703 431 HB2 ARG 72 HB1 ARG 72 10.565 12.929 -8.259 432 HB3 ARG 72 HB2 ARG 72 11.500 13.378 -6.824 433 HG2 ARG 72 HG1 ARG 72 13.084 12.066 -8.914 434 HG3 ARG 72 HG2 ARG 72 12.364 13.613 -9.393 435 HD2 ARG 72 HD1 ARG 72 13.294 14.276 -6.943 436 HD3 ARG 72 HD2 ARG 72 14.467 13.035 -7.406 437 HE ARG 72 HE ARG 72 15.327 14.466 -8.979 438 HH11 ARG 72 HH11 ARG 72 12.265 15.682 -7.855 439 HH12 ARG 72 HH12 ARG 72 12.430 17.210 -8.654 440 HH21 ARG 72 HH21 ARG 72 15.556 16.474 -10.037 441 HH22 ARG 72 HH22 ARG 72 14.302 17.659 -9.896 442 H CYS 73 H CYS 73 11.493 11.619 -4.678 443 HA CYS 73 HA CYS 73 8.613 11.460 -4.269 444 HB2 CYS 73 HB1 CYS 73 8.690 9.715 -2.648 445 HB3 CYS 73 HB2 CYS 73 9.537 9.123 -4.078 446 H GLN 74 H GLN 74 7.984 12.089 -2.065 447 HA GLN 74 HA GLN 74 9.956 13.936 -0.894 448 HB2 GLN 74 HB1 GLN 74 7.691 14.734 -1.988 449 HB3 GLN 74 HB2 GLN 74 7.022 14.249 -0.423 450 HG2 GLN 74 HG1 GLN 74 7.462 16.424 0.045 451 HG3 GLN 74 HG2 GLN 74 9.021 15.714 0.488 452 HE21 GLN 74 HE21 GLN 74 10.812 16.337 -0.560 453 HE22 GLN 74 HE22 GLN 74 10.842 17.438 -1.890 454 H ARG 75 H ARG 75 7.373 11.637 -0.171 455 HA ARG 75 HA ARG 75 8.517 11.327 2.523 456 HB2 ARG 75 HB1 ARG 75 6.147 10.764 3.265 457 HB3 ARG 75 HB2 ARG 75 6.491 12.467 2.924 458 HG2 ARG 75 HG1 ARG 75 5.260 12.473 0.954 459 HG3 ARG 75 HG2 ARG 75 5.319 10.707 0.811 460 HD2 ARG 75 HD1 ARG 75 3.348 10.559 1.836 461 HD3 ARG 75 HD2 ARG 75 4.065 11.302 3.273 462 HE ARG 75 HE ARG 75 3.441 13.344 1.475 463 HH11 ARG 75 HH11 ARG 75 1.820 10.958 3.422 464 HH12 ARG 75 HH12 ARG 75 0.386 11.910 3.627 465 HH21 ARG 75 HH21 ARG 75 1.559 14.606 1.736 466 HH22 ARG 75 HH22 ARG 75 0.239 13.984 2.666 467 H ASP 76 H ASP 76 8.594 9.248 3.348 468 HA ASP 76 HA ASP 76 9.010 7.147 1.602 469 HB2 ASP 76 HB1 ASP 76 8.189 7.033 4.517 470 HB3 ASP 76 HB2 ASP 76 8.847 5.673 3.598 471 HD2 ASP 76 HD ASP 76 11.368 8.621 4.471 472 H ALA 77 H ALA 77 6.043 8.279 3.027 473 HA ALA 77 HA ALA 77 4.450 5.996 2.617 474 HB1 ALA 77 HB1 ALA 77 4.057 8.424 3.776 475 HB2 ALA 77 HB2 ALA 77 3.083 8.571 2.312 476 HB3 ALA 77 HB3 ALA 77 2.784 7.250 3.442 477 H MET 78 H MET 78 5.212 8.750 0.535 478 HA MET 78 HA MET 78 3.416 8.236 -1.535 479 HB2 MET 78 HB1 MET 78 6.041 9.644 -1.326 480 HB3 MET 78 HB2 MET 78 5.384 9.322 -2.937 481 HG2 MET 78 HG1 MET 78 3.285 10.478 -2.265 482 HG3 MET 78 HG2 MET 78 4.065 10.894 -0.737 483 HE1 MET 78 HE1 MET 78 5.851 11.098 -4.492 484 HE2 MET 78 HE2 MET 78 4.088 11.066 -4.474 485 HE3 MET 78 HE3 MET 78 4.937 12.553 -4.893 486 H CYS 79 H CYS 79 6.425 6.699 -0.703 487 HA CYS 79 HA CYS 79 6.525 5.246 -3.229 488 HB2 CYS 79 HB1 CYS 79 8.530 6.223 -1.793 489 HB3 CYS 79 HB2 CYS 79 8.391 4.668 -0.969 490 H CYS 80 H CYS 80 6.199 3.061 -3.444 491 HA CYS 80 HA CYS 80 4.295 1.804 -1.892 492 HB2 CYS 80 HB1 CYS 80 6.171 1.010 -4.006 493 HB3 CYS 80 HB2 CYS 80 5.710 -0.314 -2.934 494 HA PRO 81 HA PRO 81 6.233 0.180 1.692 495 HB2 PRO 81 HB1 PRO 81 5.056 -2.281 1.940 496 HB3 PRO 81 HB2 PRO 81 4.212 -0.764 2.242 497 HG2 PRO 81 HG1 PRO 81 4.232 -2.469 -0.224 498 HG3 PRO 81 HG2 PRO 81 2.837 -1.691 0.613 499 HD2 PRO 81 HD1 PRO 81 3.959 -0.659 -1.635 500 HD3 PRO 81 HD2 PRO 81 3.274 0.355 -0.353 501 H GLY 82 H GLY 82 8.315 -0.386 1.766 502 HA2 GLY 82 HA2 GLY 82 9.625 -2.582 1.811 503 HA3 GLY 82 HA3 GLY 82 9.217 -2.649 0.103 504 HA1 GLY 82 HA1 GLY 82 9.638 -1.714 1.966 505 H THR 83 H THR 83 9.505 0.412 0.136 506 HA THR 83 HA THR 83 12.447 0.429 -0.062 507 HB THR 83 HB THR 83 11.689 2.537 -1.615 508 HG1 THR 83 HG1 THR 83 9.457 1.813 -1.393 509 HG21 THR 83 HG21 THR 83 12.771 -0.093 -1.980 510 HG22 THR 83 HG22 THR 83 13.061 1.367 -2.925 511 HG23 THR 83 HG23 THR 83 11.715 0.305 -3.335 512 H LEU 84 H LEU 84 13.292 2.794 -0.021 513 HA LEU 84 HA LEU 84 11.873 4.314 2.060 514 HB2 LEU 84 HB1 LEU 84 14.409 2.998 2.254 515 HB3 LEU 84 HB2 LEU 84 14.649 4.751 2.356 516 HG LEU 84 HG LEU 84 12.480 3.797 4.060 517 HD11 LEU 84 HD11 LEU 84 14.226 2.918 5.741 518 HD12 LEU 84 HD12 LEU 84 15.226 2.634 4.317 519 HD13 LEU 84 HD13 LEU 84 13.659 1.839 4.465 520 HD21 LEU 84 HD21 LEU 84 15.007 5.326 4.668 521 HD22 LEU 84 HD22 LEU 84 13.556 5.230 5.667 522 HD23 LEU 84 HD23 LEU 84 13.501 6.053 4.108 523 H CYS 85 H CYS 85 11.980 6.533 1.916 524 HA CYS 85 HA CYS 85 12.672 7.587 -0.677 525 HB2 CYS 85 HB1 CYS 85 11.185 8.518 1.710 526 HB3 CYS 85 HB2 CYS 85 11.972 9.777 0.757 527 H VAL 86 H VAL 86 14.776 7.898 -1.069 528 HA VAL 86 HA VAL 86 16.282 9.561 0.830 529 HB VAL 86 HB VAL 86 17.471 7.205 -0.637 530 HG11 VAL 86 HG11 VAL 86 19.393 8.244 -0.215 531 HG12 VAL 86 HG12 VAL 86 18.589 9.472 0.767 532 HG13 VAL 86 HG13 VAL 86 19.092 7.946 1.496 533 HG21 VAL 86 HG21 VAL 86 16.340 7.475 2.112 534 HG22 VAL 86 HG22 VAL 86 16.211 6.138 0.969 535 HG23 VAL 86 HG23 VAL 86 17.719 6.409 1.842 536 H ASN 87 H ASN 87 17.678 11.039 -0.071 537 HA ASN 87 HA ASN 87 18.466 12.495 -1.631 538 HB2 ASN 87 HB1 ASN 87 19.557 10.238 -2.315 539 HB3 ASN 87 HB2 ASN 87 18.410 10.278 -3.660 540 HD21 ASN 87 HD21 ASN 87 21.215 10.348 -3.921 541 HD22 ASN 87 HD22 ASN 87 21.645 11.861 -4.636 542 H ASP 88 H ASP 88 15.597 12.169 -1.339 543 HA ASP 88 HA ASP 88 13.680 12.963 -2.273 544 HB2 ASP 88 HB1 ASP 88 15.396 14.053 -4.513 545 HB3 ASP 88 HB2 ASP 88 13.826 14.650 -3.957 546 HD2 ASP 88 HD ASP 88 17.041 15.992 -2.212 547 H VAL 89 H VAL 89 14.894 10.351 -3.074 548 HA VAL 89 HA VAL 89 13.079 9.826 -5.289 549 HB VAL 89 HB VAL 89 14.851 8.461 -6.458 550 HG11 VAL 89 HG11 VAL 89 14.127 10.519 -7.431 551 HG12 VAL 89 HG12 VAL 89 15.121 11.459 -6.317 552 HG13 VAL 89 HG13 VAL 89 15.886 10.457 -7.552 553 HG21 VAL 89 HG21 VAL 89 16.436 8.387 -4.571 554 HG22 VAL 89 HG22 VAL 89 17.180 8.996 -6.050 555 HG23 VAL 89 HG23 VAL 89 16.723 10.116 -4.767 556 H CYS 90 H CYS 90 12.590 7.575 -5.564 557 HA CYS 90 HA CYS 90 12.403 6.169 -3.110 558 HB2 CYS 90 HB1 CYS 90 11.713 5.565 -5.964 559 HB3 CYS 90 HB2 CYS 90 11.681 4.263 -4.773 560 H THR 91 H THR 91 14.174 5.376 -2.161 561 HA THR 91 HA THR 91 16.116 3.912 -3.822 562 HB THR 91 HB THR 91 16.535 5.097 -1.070 563 HG1 THR 91 HG1 THR 91 17.586 5.973 -3.569 564 HG21 THR 91 HG21 THR 91 18.129 3.461 -1.114 565 HG22 THR 91 HG22 THR 91 19.001 4.718 -1.992 566 HG23 THR 91 HG23 THR 91 18.197 3.421 -2.875 567 H THR 92 H THR 92 16.611 1.821 -3.375 568 HA THR 92 HA THR 92 14.775 0.314 -1.793 569 HB THR 92 HB THR 92 16.998 -1.321 -2.374 570 HG1 THR 92 HG1 THR 92 17.537 -0.803 -4.441 571 HG21 THR 92 HG21 THR 92 14.615 -1.075 -4.175 572 HG22 THR 92 HG22 THR 92 14.432 -1.668 -2.523 573 HG23 THR 92 HG23 THR 92 15.476 -2.524 -3.657 574 H MET 93 H MET 93 15.322 -1.099 -0.026 575 HA MET 93 HA MET 93 16.698 0.166 2.052 576 HB2 MET 93 HB1 MET 93 15.232 -2.292 1.654 577 HB3 MET 93 HB2 MET 93 16.662 -2.579 2.657 578 HG2 MET 93 HG1 MET 93 15.939 -1.188 4.355 579 HG3 MET 93 HG2 MET 93 14.873 -0.280 3.280 580 HE1 MET 93 HE1 MET 93 12.233 -0.664 3.375 581 HE2 MET 93 HE2 MET 93 11.771 -1.473 4.872 582 HE3 MET 93 HE3 MET 93 13.021 -0.229 4.893 583 H GLU 94 H GLU 94 17.707 -2.405 -0.158 584 HA GLU 94 HA GLU 94 20.192 -2.940 1.075 585 HB2 GLU 94 HB1 GLU 94 19.147 -3.381 -1.722 586 HB3 GLU 94 HB2 GLU 94 20.781 -3.862 -1.236 587 HG2 GLU 94 HG1 GLU 94 18.447 -4.779 0.387 588 HG3 GLU 94 HG2 GLU 94 18.812 -5.571 -1.153 589 HE2 GLU 94 HE GLU 94 22.082 -6.360 0.355 590 H ASP 95 H ASP 95 19.148 -0.546 -1.247 591 HA ASP 95 HA ASP 95 21.733 0.269 -2.096 592 HB2 ASP 95 HB1 ASP 95 18.956 1.210 -2.415 593 HB3 ASP 95 HB2 ASP 95 20.180 2.485 -2.473 594 HD2 ASP 95 HD ASP 95 21.121 -0.175 -5.180 595 H ALA 96 H ALA 96 19.435 1.678 0.234 596 HA ALA 96 HA ALA 96 21.046 3.795 1.086 597 HB1 ALA 96 HB1 ALA 96 18.678 2.381 2.152 598 HB2 ALA 96 HB2 ALA 96 19.613 3.342 3.298 599 HB3 ALA 96 HB3 ALA 96 18.938 4.100 1.855 600 H THR 97 H THR 97 22.299 4.070 2.991 601 HA THR 97 HA THR 97 23.706 1.621 3.782 602 HB THR 97 HB THR 97 24.664 4.354 4.539 603 HG1 THR 97 HG1 THR 97 25.147 3.151 2.001 604 HG21 THR 97 HG21 THR 97 26.653 2.573 3.523 605 HG22 THR 97 HG22 THR 97 25.652 1.707 4.689 606 HG23 THR 97 HG23 THR 97 26.463 3.201 5.160 607 H GLU 98 H GLU 98 22.293 0.828 5.348 608 HA GLU 98 HA GLU 98 21.352 2.454 7.508 609 HB2 GLU 98 HB1 GLU 98 21.433 -0.560 7.224 610 HB3 GLU 98 HB2 GLU 98 20.529 0.337 8.454 611 HG2 GLU 98 HG1 GLU 98 19.957 1.115 5.673 612 HG3 GLU 98 HG2 GLU 98 19.487 -0.531 6.120 613 HE2 GLU 98 HE GLU 98 17.520 2.498 7.734 614 H ASN 99 H ASN 99 21.712 1.304 9.818 615 HA ASN 99 HA ASN 99 24.396 1.900 10.511 616 HB2 ASN 99 HB1 ASN 99 21.917 1.206 11.890 617 HB3 ASN 99 HB2 ASN 99 23.341 0.494 12.661 618 HD21 ASN 99 HD21 ASN 99 22.284 3.576 11.259 619 HD22 ASN 99 HD22 ASN 99 23.023 4.572 12.463 620 H LEU 100 H LEU 100 26.092 0.584 11.068 621 HA LEU 100 HA LEU 100 25.814 -2.238 10.293 622 HB2 LEU 100 HB1 LEU 100 28.370 -2.104 10.174 623 HB3 LEU 100 HB2 LEU 100 27.425 -1.298 8.911 624 HG LEU 100 HG LEU 100 28.272 0.343 11.237 625 HD11 LEU 100 HD11 LEU 100 30.128 -0.956 9.322 626 HD12 LEU 100 HD12 LEU 100 30.378 -0.486 11.003 627 HD13 LEU 100 HD13 LEU 100 30.412 0.735 9.732 628 HD21 LEU 100 HD21 LEU 100 26.994 0.859 8.897 629 HD22 LEU 100 HD22 LEU 100 28.663 1.241 8.471 630 HD23 LEU 100 HD23 LEU 100 27.892 2.053 9.834 631 H TYR 101 H TYR 101 26.454 -3.862 11.647 632 HA TYR 101 HA TYR 101 26.714 -3.163 14.445 633 HB2 TYR 101 HB1 TYR 101 26.387 -5.772 12.962 634 HB3 TYR 101 HB2 TYR 101 26.707 -5.717 14.698 635 HD1 TYR 101 HD1 TYR 101 24.277 -4.640 12.110 636 HD2 TYR 101 HD2 TYR 101 24.984 -5.303 16.253 637 HE1 TYR 101 HE1 TYR 101 21.878 -4.342 12.561 638 HE2 TYR 101 HE2 TYR 101 22.587 -5.009 16.715 639 HH TYR 101 HH TYR 101 20.275 -5.296 14.692 640 H PHE 102 H PHE 102 28.305 -4.541 15.760 641 HA PHE 102 HA PHE 102 30.918 -4.495 14.401 642 HB2 PHE 102 HB1 PHE 102 30.030 -3.554 17.078 643 HB3 PHE 102 HB2 PHE 102 31.624 -4.309 16.989 644 HD1 PHE 102 HD1 PHE 102 33.416 -3.326 15.645 645 HD2 PHE 102 HD2 PHE 102 29.644 -1.401 16.085 646 HE1 PHE 102 HE1 PHE 102 34.397 -1.223 14.826 647 HE2 PHE 102 HE2 PHE 102 30.620 0.703 15.265 648 HZ PHE 102 HZ PHE 102 32.998 0.794 14.633 649 H GLN 103 H GLN 103 32.364 -6.167 14.766 650 HA GLN 103 HA GLN 103 33.048 -8.297 15.179 651 HB2 GLN 103 HB1 GLN 103 32.604 -7.475 17.556 652 HB3 GLN 103 HB2 GLN 103 31.078 -8.368 17.458 653 HG2 GLN 103 HG1 GLN 103 33.415 -9.945 16.672 654 HG3 GLN 103 HG2 GLN 103 33.447 -9.381 18.349 655 HE21 GLN 103 HE21 GLN 103 30.999 -9.515 19.254 656 HE22 GLN 103 HE22 GLN 103 30.340 -11.108 19.134 657 H SER 104 H SER 104 32.203 -9.170 13.291 658 HA SER 104 HA SER 104 29.881 -10.904 13.699 659 HB2 SER 104 HB1 SER 104 29.221 -8.720 12.527 660 HB3 SER 104 HB2 SER 104 30.175 -9.308 11.156 661 HG SER 104 HG SER 104 28.765 -10.915 10.824 662 H LEU 105 H LEU 105 32.568 -11.629 13.748 663 HA LEU 105 HA LEU 105 32.609 -13.741 11.882 664 HB2 LEU 105 HB1 LEU 105 33.337 -11.477 10.642 665 HB3 LEU 105 HB2 LEU 105 34.903 -11.955 11.321 666 HG LEU 105 HG LEU 105 33.782 -14.239 10.062 667 HD11 LEU 105 HD11 LEU 105 33.293 -13.576 7.884 668 HD12 LEU 105 HD12 LEU 105 33.976 -11.966 8.117 669 HD13 LEU 105 HD13 LEU 105 32.444 -12.393 8.880 670 HD21 LEU 105 HD21 LEU 105 35.795 -13.493 8.448 671 HD22 LEU 105 HD22 LEU 105 36.040 -14.268 10.013 672 HD23 LEU 105 HD23 LEU 105 36.169 -12.515 9.867 673 H GLU 106 H GLU 106 34.402 -15.167 12.183 674 HA GLU 106 HA GLU 106 35.256 -15.473 14.790 675 HB2 GLU 106 HB1 GLU 106 35.854 -16.680 12.210 676 HB3 GLU 106 HB2 GLU 106 37.263 -16.667 13.281 677 HG2 GLU 106 HG1 GLU 106 35.883 -17.742 15.044 678 HG3 GLU 106 HG2 GLU 106 34.567 -17.865 13.868 679 HE2 GLU 106 HE GLU 106 37.710 -20.246 13.368 680 H HIS 107 H HIS 107 37.581 -15.513 15.539 681 HA HIS 107 HA HIS 107 38.656 -12.873 15.303 682 HB2 HIS 107 HB1 HIS 107 39.480 -15.354 16.798 683 HB3 HIS 107 HB2 HIS 107 40.513 -13.922 16.767 684 HD1 HIS 107 HD1 HIS 107 39.516 -14.711 19.462 685 HD2 HIS 107 HD2 HIS 107 37.362 -12.193 16.954 686 HE1 HIS 107 HE1 HIS 107 37.978 -13.413 20.970 687 HE2 HIS 107 HE2 HIS 107 36.661 -11.876 19.439 688 H HIS 108 H HIS 108 40.149 -16.064 14.725 689 HA HIS 108 HA HIS 108 41.215 -15.333 12.202 690 HB2 HIS 108 HB1 HIS 108 42.635 -14.135 14.130 691 HB3 HIS 108 HB2 HIS 108 43.443 -15.706 14.139 692 HD1 HIS 108 HD1 HIS 108 42.349 -13.322 11.366 693 HD2 HIS 108 HD2 HIS 108 45.592 -15.649 12.521 694 HE1 HIS 108 HE1 HIS 108 44.096 -12.967 9.593 695 HE2 HIS 108 HE2 HIS 108 46.079 -14.388 10.298 696 H HIS 109 H HIS 109 42.740 -17.013 11.367 697 HA HIS 109 HA HIS 109 42.044 -19.625 12.525 698 HB2 HIS 109 HB1 HIS 109 42.493 -18.659 9.732 699 HB3 HIS 109 HB2 HIS 109 42.874 -20.342 10.110 700 HD1 HIS 109 HD1 HIS 109 40.917 -21.934 10.642 701 HD2 HIS 109 HD2 HIS 109 39.743 -18.047 9.759 702 HE1 HIS 109 HE1 HIS 109 38.430 -22.047 10.287 703 HE2 HIS 109 HE2 HIS 109 37.711 -19.672 9.747 704 H HIS 110 H HIS 110 43.667 -21.341 12.351 705 HA HIS 110 HA HIS 110 46.324 -20.287 12.968 706 HB2 HIS 110 HB1 HIS 110 44.722 -22.478 13.923 707 HB3 HIS 110 HB2 HIS 110 46.264 -23.094 13.322 708 HD1 HIS 110 HD1 HIS 110 45.161 -20.244 15.601 709 HD2 HIS 110 HD2 HIS 110 48.185 -23.065 15.212 710 HE1 HIS 110 HE1 HIS 110 46.643 -19.922 17.606 711 HE2 HIS 110 HE2 HIS 110 48.490 -21.646 17.371 712 H HIS 111 H HIS 111 48.172 -21.832 12.286 713 HA HIS 111 HA HIS 111 47.865 -23.271 9.842 714 HB2 HIS 111 HB1 HIS 111 47.817 -20.717 9.266 715 HB3 HIS 111 HB2 HIS 111 49.559 -20.815 9.537 716 HD1 HIS 111 HD1 HIS 111 49.714 -23.791 8.260 717 HD2 HIS 111 HD2 HIS 111 48.192 -20.348 6.501 718 HE1 HIS 111 HE1 HIS 111 49.848 -24.187 5.780 719 HE2 HIS 111 HE2 HIS 111 48.917 -22.083 4.704 720 H HIS 112 H HIS 112 48.861 -24.378 11.927 721 HA HIS 112 HA HIS 112 50.642 -25.504 12.783 722 HB2 HIS 112 HB1 HIS 112 51.089 -25.420 10.102 723 HB3 HIS 112 HB2 HIS 112 52.550 -24.631 10.704 724 HD1 HIS 112 HD1 HIS 112 50.841 -27.938 10.599 725 HD2 HIS 112 HD2 HIS 112 54.297 -26.268 12.187 726 HE1 HIS 112 HE1 HIS 112 52.261 -29.885 11.316 727 HE2 HIS 112 HE2 HIS 112 54.373 -28.866 12.286 Start of MODEL 24 1 H1 MET 18 H MET 18 -18.885 54.116 5.243 2 HA MET 18 HA MET 18 -18.724 54.386 7.820 3 HB2 MET 18 HB1 MET 18 -19.862 56.568 8.463 4 HB3 MET 18 HB2 MET 18 -18.192 56.686 7.889 5 HG2 MET 18 HG1 MET 18 -18.763 57.753 5.955 6 HG3 MET 18 HG2 MET 18 -20.353 56.991 5.887 7 HE1 MET 18 HE1 MET 18 -20.640 61.031 6.135 8 HE2 MET 18 HE2 MET 18 -19.451 60.004 5.333 9 HE3 MET 18 HE3 MET 18 -21.174 59.683 5.131 10 H LEU 19 H LEU 19 -20.910 55.194 5.203 11 HA LEU 19 HA LEU 19 -23.215 54.288 6.754 12 HB2 LEU 19 HB1 LEU 19 -22.792 55.922 4.331 13 HB3 LEU 19 HB2 LEU 19 -24.219 54.872 4.314 14 HG LEU 19 HG LEU 19 -24.162 56.262 6.801 15 HD11 LEU 19 HD11 LEU 19 -22.997 58.094 6.122 16 HD12 LEU 19 HD12 LEU 19 -24.597 58.551 5.539 17 HD13 LEU 19 HD13 LEU 19 -23.413 57.870 4.423 18 HD21 LEU 19 HD21 LEU 19 -26.235 55.586 6.075 19 HD22 LEU 19 HD22 LEU 19 -25.929 56.066 4.406 20 HD23 LEU 19 HD23 LEU 19 -26.263 57.291 5.629 21 H VAL 20 H VAL 20 -24.158 52.359 6.483 22 HA VAL 20 HA VAL 20 -23.086 50.602 4.382 23 HB VAL 20 HB VAL 20 -23.760 48.718 5.743 24 HG11 VAL 20 HG11 VAL 20 -21.611 50.101 6.192 25 HG12 VAL 20 HG12 VAL 20 -22.425 50.554 7.690 26 HG13 VAL 20 HG13 VAL 20 -22.094 48.856 7.344 27 HG21 VAL 20 HG21 VAL 20 -24.634 49.164 8.071 28 HG22 VAL 20 HG22 VAL 20 -24.953 50.817 7.542 29 HG23 VAL 20 HG23 VAL 20 -25.768 49.465 6.754 30 H LEU 21 H LEU 21 -24.424 49.541 2.983 31 HA LEU 21 HA LEU 21 -27.000 50.668 2.520 32 HB2 LEU 21 HB1 LEU 21 -25.133 48.999 1.128 33 HB3 LEU 21 HB2 LEU 21 -26.740 48.257 1.074 34 HG LEU 21 HG LEU 21 -27.054 51.000 0.435 35 HD11 LEU 21 HD11 LEU 21 -25.200 49.848 -1.566 36 HD12 LEU 21 HD12 LEU 21 -24.493 50.511 -0.093 37 HD13 LEU 21 HD13 LEU 21 -25.496 51.530 -1.125 38 HD21 LEU 21 HD21 LEU 21 -27.711 50.001 -1.781 39 HD22 LEU 21 HD22 LEU 21 -28.546 49.344 -0.373 40 HD23 LEU 21 HD23 LEU 21 -27.236 48.432 -1.126 41 H ASP 22 H ASP 22 -28.782 50.171 3.595 42 HA ASP 22 HA ASP 22 -28.998 47.552 4.890 43 HB2 ASP 22 HB1 ASP 22 -30.195 50.244 5.361 44 HB3 ASP 22 HB2 ASP 22 -31.155 48.829 5.814 45 HD2 ASP 22 HD ASP 22 -28.604 47.899 8.166 46 H PHE 23 H PHE 23 -29.446 46.402 2.937 47 HA PHE 23 HA PHE 23 -32.182 46.836 1.931 48 HB2 PHE 23 HB1 PHE 23 -29.966 47.048 0.414 49 HB3 PHE 23 HB2 PHE 23 -30.250 45.313 0.267 50 HD1 PHE 23 HD1 PHE 23 -31.797 44.482 -1.249 51 HD2 PHE 23 HD2 PHE 23 -31.950 48.589 -0.140 52 HE1 PHE 23 HE1 PHE 23 -33.502 44.882 -2.979 53 HE2 PHE 23 HE2 PHE 23 -33.655 48.996 -1.867 54 HZ PHE 23 HZ PHE 23 -34.434 47.141 -3.288 55 H ASN 24 H ASN 24 -33.580 45.257 2.326 56 HA ASN 24 HA ASN 24 -32.778 42.488 2.326 57 HB2 ASN 24 HB1 ASN 24 -32.354 43.548 4.689 58 HB3 ASN 24 HB2 ASN 24 -34.109 43.407 4.850 59 HD21 ASN 24 HD21 ASN 24 -31.605 41.335 3.426 60 HD22 ASN 24 HD22 ASN 24 -32.037 39.916 4.312 61 H ASN 25 H ASN 25 -34.432 41.170 1.765 62 HA ASN 25 HA ASN 25 -37.067 42.431 1.440 63 HB2 ASN 25 HB1 ASN 25 -35.893 40.011 0.041 64 HB3 ASN 25 HB2 ASN 25 -37.486 40.708 -0.273 65 HD21 ASN 25 HD21 ASN 25 -35.794 40.439 -2.339 66 HD22 ASN 25 HD22 ASN 25 -35.199 41.979 -2.847 67 H ILE 26 H ILE 26 -38.896 40.707 1.438 68 HA ILE 26 HA ILE 26 -38.475 38.794 3.631 69 HB ILE 26 HB ILE 26 -39.563 40.753 4.592 70 HG12 ILE 26 HG11 ILE 26 -41.584 38.529 4.247 71 HG13 ILE 26 HG12 ILE 26 -40.177 38.422 5.318 72 HG21 ILE 26 HG21 ILE 26 -40.603 41.442 2.379 73 HG22 ILE 26 HG22 ILE 26 -41.885 40.287 2.742 74 HG23 ILE 26 HG23 ILE 26 -41.597 41.653 3.820 75 HD11 ILE 26 HD11 ILE 26 -42.147 38.999 6.587 76 HD12 ILE 26 HD12 ILE 26 -41.006 40.344 6.593 77 HD13 ILE 26 HD13 ILE 26 -42.431 40.400 5.556 78 H ARG 27 H ARG 27 -39.480 36.856 3.412 79 HA ARG 27 HA ARG 27 -41.367 36.529 1.182 80 HB2 ARG 27 HB1 ARG 27 -38.807 35.085 1.700 81 HB3 ARG 27 HB2 ARG 27 -40.165 34.165 1.034 82 HG2 ARG 27 HG1 ARG 27 -40.252 35.484 -0.920 83 HG3 ARG 27 HG2 ARG 27 -39.193 36.716 -0.215 84 HD2 ARG 27 HD1 ARG 27 -37.644 34.454 -0.032 85 HD3 ARG 27 HD2 ARG 27 -38.519 34.201 -1.547 86 HE ARG 27 HE ARG 27 -37.232 35.822 -2.498 87 HH11 ARG 27 HH11 ARG 27 -37.164 36.238 0.957 88 HH12 ARG 27 HH12 ARG 27 -35.995 37.515 0.911 89 HH21 ARG 27 HH21 ARG 27 -35.691 37.503 -2.572 90 HH22 ARG 27 HH22 ARG 27 -35.158 38.235 -1.095 91 H SER 28 H SER 28 -42.560 34.417 1.323 92 HA SER 28 HA SER 28 -43.302 33.945 4.121 93 HB2 SER 28 HB1 SER 28 -45.450 33.667 3.441 94 HB3 SER 28 HB2 SER 28 -44.894 34.535 1.998 95 HG SER 28 HG SER 28 -45.123 32.780 0.867 96 H SER 29 H SER 29 -42.989 32.037 5.089 97 HA SER 29 HA SER 29 -42.237 29.923 5.465 98 HB2 SER 29 HB1 SER 29 -43.527 29.599 2.750 99 HB3 SER 29 HB2 SER 29 -42.806 28.234 3.622 100 HG SER 29 HG SER 29 -45.213 29.042 3.915 101 H ALA 30 H ALA 30 -40.901 28.043 4.262 102 HA ALA 30 HA ALA 30 -38.899 29.118 2.459 103 HB1 ALA 30 HB1 ALA 30 -37.012 28.601 3.903 104 HB2 ALA 30 HB2 ALA 30 -38.067 29.793 4.663 105 HB3 ALA 30 HB3 ALA 30 -38.112 28.110 5.190 106 H ASP 31 H ASP 31 -38.910 26.388 4.742 107 HA ASP 31 HA ASP 31 -38.644 24.149 4.422 108 HB2 ASP 31 HB1 ASP 31 -40.313 24.766 1.967 109 HB3 ASP 31 HB2 ASP 31 -40.012 23.145 2.608 110 HD2 ASP 31 HD ASP 31 -43.142 24.200 4.012 111 H LEU 32 H LEU 32 -36.339 24.635 4.051 112 HA LEU 32 HA LEU 32 -35.532 24.084 1.272 113 HB2 LEU 32 HB1 LEU 32 -34.734 26.233 1.951 114 HB3 LEU 32 HB2 LEU 32 -34.117 25.568 3.476 115 HG LEU 32 HG LEU 32 -32.951 24.394 1.040 116 HD11 LEU 32 HD11 LEU 32 -31.440 26.321 0.705 117 HD12 LEU 32 HD12 LEU 32 -32.454 27.270 1.792 118 HD13 LEU 32 HD13 LEU 32 -33.113 26.670 0.270 119 HD21 LEU 32 HD21 LEU 32 -30.874 24.836 2.417 120 HD22 LEU 32 HD22 LEU 32 -32.053 23.727 3.118 121 HD23 LEU 32 HD23 LEU 32 -31.955 25.391 3.697 122 H HIS 33 H HIS 33 -34.591 22.195 0.880 123 HA HIS 33 HA HIS 33 -32.733 20.947 2.606 124 HB2 HIS 33 HB1 HIS 33 -35.387 20.478 3.332 125 HB3 HIS 33 HB2 HIS 33 -34.914 19.032 2.434 126 HD1 HIS 33 HD1 HIS 33 -34.553 17.367 4.258 127 HD2 HIS 33 HD2 HIS 33 -32.600 20.959 4.992 128 HE1 HIS 33 HE1 HIS 33 -33.148 16.963 6.304 129 HE2 HIS 33 HE2 HIS 33 -31.954 19.159 6.753 130 H GLY 34 H GLY 34 -31.395 19.923 1.277 131 HA2 GLY 34 HA2 GLY 34 -31.801 17.885 -0.421 132 HA3 GLY 34 HA3 GLY 34 -32.267 19.260 -1.411 133 HA1 GLY 34 HA1 GLY 34 -31.253 18.255 0.163 134 H ALA 35 H ALA 35 -29.718 17.322 -0.386 135 HA ALA 35 HA ALA 35 -27.840 18.567 -2.071 136 HB1 ALA 35 HB1 ALA 35 -27.641 20.324 -0.505 137 HB2 ALA 35 HB2 ALA 35 -27.586 19.204 0.857 138 HB3 ALA 35 HB3 ALA 35 -26.228 19.294 -0.265 139 H ARG 36 H ARG 36 -25.805 17.458 -2.124 140 HA ARG 36 HA ARG 36 -25.307 15.243 -0.372 141 HB2 ARG 36 HB1 ARG 36 -27.112 14.478 -2.045 142 HB3 ARG 36 HB2 ARG 36 -25.814 14.514 -3.246 143 HG2 ARG 36 HG1 ARG 36 -25.673 12.332 -2.629 144 HG3 ARG 36 HG2 ARG 36 -24.573 13.044 -1.438 145 HD2 ARG 36 HD1 ARG 36 -26.476 13.186 0.169 146 HD3 ARG 36 HD2 ARG 36 -27.471 12.330 -1.016 147 HE ARG 36 HE ARG 36 -25.351 10.682 -0.703 148 HH11 ARG 36 HH11 ARG 36 -27.533 12.219 1.533 149 HH12 ARG 36 HH12 ARG 36 -27.422 10.955 2.712 150 HH21 ARG 36 HH21 ARG 36 -25.196 9.012 0.842 151 HH22 ARG 36 HH22 ARG 36 -26.092 9.131 2.319 152 H LYS 37 H LYS 37 -23.186 15.355 -0.112 153 HA LYS 37 HA LYS 37 -21.504 15.917 -2.468 154 HB2 LYS 37 HB1 LYS 37 -21.295 16.914 0.364 155 HB3 LYS 37 HB2 LYS 37 -19.872 16.850 -0.688 156 HG2 LYS 37 HG1 LYS 37 -21.751 18.110 -2.267 157 HG3 LYS 37 HG2 LYS 37 -22.070 18.748 -0.644 158 HD2 LYS 37 HD1 LYS 37 -20.439 20.217 -1.183 159 HD3 LYS 37 HD2 LYS 37 -19.377 18.889 -0.682 160 HE2 LYS 37 HE1 LYS 37 -20.331 19.019 -3.521 161 HE3 LYS 37 HE2 LYS 37 -19.018 20.079 -2.986 162 HZ1 LYS 37 HZ1 LYS 37 -17.615 18.325 -2.623 163 HZ2 LYS 37 HZ2 LYS 37 -18.498 17.734 -3.939 164 HZ3 LYS 37 HZ3 LYS 37 -18.863 17.211 -2.372 165 H GLY 38 H GLY 38 -19.072 15.328 -1.747 166 HA2 GLY 38 HA2 GLY 38 -18.524 13.241 -0.020 167 HA3 GLY 38 HA3 GLY 38 -19.064 12.489 -1.515 168 HA1 GLY 38 HA1 GLY 38 -18.241 14.027 -0.299 169 H SER 39 H SER 39 -16.533 12.026 -0.549 170 HA SER 39 HA SER 39 -14.844 13.551 -2.422 171 HB2 SER 39 HB1 SER 39 -12.973 13.287 -0.943 172 HB3 SER 39 HB2 SER 39 -14.332 13.882 0.027 173 HG SER 39 HG SER 39 -13.207 12.116 1.013 174 H GLN 40 H GLN 40 -12.673 12.135 -2.710 175 HA GLN 40 HA GLN 40 -13.577 9.759 -4.084 176 HB2 GLN 40 HB1 GLN 40 -11.879 11.438 -4.980 177 HB3 GLN 40 HB2 GLN 40 -10.732 10.721 -3.838 178 HG2 GLN 40 HG1 GLN 40 -10.230 9.181 -5.341 179 HG3 GLN 40 HG2 GLN 40 -11.887 8.575 -5.222 180 HE21 GLN 40 HE21 GLN 40 -10.164 11.292 -6.726 181 HE22 GLN 40 HE22 GLN 40 -10.970 11.181 -8.250 182 H CYS 41 H CYS 41 -10.796 10.303 -1.916 183 HA CYS 41 HA CYS 41 -11.405 7.722 -0.636 184 HB2 CYS 41 HB1 CYS 41 -9.098 7.123 -0.580 185 HB3 CYS 41 HB2 CYS 41 -9.469 7.591 -2.241 186 H LEU 42 H LEU 42 -10.970 7.562 1.561 187 HA LEU 42 HA LEU 42 -10.850 10.109 2.954 188 HB2 LEU 42 HB1 LEU 42 -11.492 7.285 3.752 189 HB3 LEU 42 HB2 LEU 42 -11.163 8.525 4.976 190 HG LEU 42 HG LEU 42 -13.103 9.579 3.195 191 HD11 LEU 42 HD11 LEU 42 -14.794 8.015 3.073 192 HD12 LEU 42 HD12 LEU 42 -14.117 7.023 4.362 193 HD13 LEU 42 HD13 LEU 42 -13.364 7.030 2.768 194 HD21 LEU 42 HD21 LEU 42 -14.493 9.177 5.401 195 HD22 LEU 42 HD22 LEU 42 -13.215 10.390 5.328 196 HD23 LEU 42 HD23 LEU 42 -12.898 8.819 6.063 197 H SER 43 H SER 43 -8.839 7.362 2.312 198 HA SER 43 HA SER 43 -6.565 8.699 3.474 199 HB2 SER 43 HB1 SER 43 -7.689 6.167 4.680 200 HB3 SER 43 HB2 SER 43 -5.977 6.597 4.838 201 HG SER 43 HG SER 43 -8.235 7.888 5.896 202 H ASP 44 H ASP 44 -4.579 7.138 3.297 203 HA ASP 44 HA ASP 44 -4.367 6.416 0.555 204 HB2 ASP 44 HB1 ASP 44 -2.516 5.979 2.911 205 HB3 ASP 44 HB2 ASP 44 -2.098 5.562 1.244 206 HD2 ASP 44 HD ASP 44 -2.671 9.451 1.652 207 H THR 45 H THR 45 -5.149 4.686 3.452 208 HA THR 45 HA THR 45 -4.534 2.069 2.576 209 HB THR 45 HB THR 45 -6.676 1.763 4.305 210 HG1 THR 45 HG1 THR 45 -6.457 3.354 5.851 211 HG21 THR 45 HG21 THR 45 -5.115 0.832 5.675 212 HG22 THR 45 HG22 THR 45 -3.999 2.188 5.504 213 HG23 THR 45 HG23 THR 45 -4.121 0.978 4.228 214 H ASP 46 H ASP 46 -7.173 4.211 1.925 215 HA ASP 46 HA ASP 46 -9.085 2.272 1.129 216 HB2 ASP 46 HB1 ASP 46 -9.180 4.946 1.579 217 HB3 ASP 46 HB2 ASP 46 -9.167 4.918 -0.189 218 HD2 ASP 46 HD ASP 46 -12.575 4.474 1.273 219 H CYS 47 H CYS 47 -6.345 3.712 -0.429 220 HA CYS 47 HA CYS 47 -7.090 3.184 -3.114 221 HB2 CYS 47 HB1 CYS 47 -5.099 4.605 -1.949 222 HB3 CYS 47 HB2 CYS 47 -4.211 3.159 -2.431 223 H ASN 48 H ASN 48 -6.143 1.590 -4.539 224 HA ASN 48 HA ASN 48 -6.462 -1.025 -3.689 225 HB2 ASN 48 HB1 ASN 48 -5.176 0.260 -6.062 226 HB3 ASN 48 HB2 ASN 48 -4.909 -1.468 -5.800 227 HD21 ASN 48 HD21 ASN 48 -6.701 -2.884 -5.793 228 HD22 ASN 48 HD22 ASN 48 -8.173 -2.454 -6.590 229 H THR 49 H THR 49 -4.677 -2.749 -3.927 230 HA THR 49 HA THR 49 -2.834 -2.404 -1.837 231 HB THR 49 HB THR 49 -1.758 -4.497 -3.187 232 HG1 THR 49 HG1 THR 49 -4.496 -4.803 -3.761 233 HG21 THR 49 HG21 THR 49 -2.460 -4.777 -0.960 234 HG22 THR 49 HG22 THR 49 -3.459 -5.899 -1.884 235 HG23 THR 49 HG23 THR 49 -4.129 -4.360 -1.344 236 H ARG 50 H ARG 50 -0.577 -2.211 -1.835 237 HA ARG 50 HA ARG 50 1.395 -1.259 -2.456 238 HB2 ARG 50 HB1 ARG 50 0.656 -2.452 -5.139 239 HB3 ARG 50 HB2 ARG 50 2.271 -1.908 -4.661 240 HG2 ARG 50 HG1 ARG 50 2.724 -3.890 -3.787 241 HG3 ARG 50 HG2 ARG 50 1.325 -3.749 -2.708 242 HD2 ARG 50 HD1 ARG 50 0.809 -5.677 -3.874 243 HD3 ARG 50 HD2 ARG 50 -0.034 -4.442 -4.818 244 HE ARG 50 HE ARG 50 2.561 -4.796 -5.851 245 HH11 ARG 50 HH11 ARG 50 -0.511 -6.419 -5.637 246 HH12 ARG 50 HH12 ARG 50 -0.290 -7.311 -7.107 247 HH21 ARG 50 HH21 ARG 50 2.864 -5.964 -7.787 248 HH22 ARG 50 HH22 ARG 50 1.632 -7.052 -8.328 249 H LYS 51 H LYS 51 -1.076 0.316 -2.727 250 HA LYS 51 HA LYS 51 0.024 2.418 -4.432 251 HB2 LYS 51 HB1 LYS 51 -2.793 1.333 -4.634 252 HB3 LYS 51 HB2 LYS 51 -2.285 2.881 -5.326 253 HG2 LYS 51 HG1 LYS 51 -0.557 1.625 -6.650 254 HG3 LYS 51 HG2 LYS 51 -1.334 0.133 -6.091 255 HD2 LYS 51 HD1 LYS 51 -3.514 1.377 -6.987 256 HD3 LYS 51 HD2 LYS 51 -2.312 2.180 -8.010 257 HE2 LYS 51 HE1 LYS 51 -1.734 0.237 -9.115 258 HE3 LYS 51 HE2 LYS 51 -2.225 -0.789 -7.761 259 HZ1 LYS 51 HZ1 LYS 51 -3.664 -0.518 -9.965 260 HZ2 LYS 51 HZ2 LYS 51 -4.343 0.731 -9.050 261 HZ3 LYS 51 HZ3 LYS 51 -4.355 -0.852 -8.457 262 H PHE 52 H PHE 52 -0.499 4.505 -3.790 263 HA PHE 52 HA PHE 52 -2.002 4.718 -1.264 264 HB2 PHE 52 HB1 PHE 52 -0.472 6.357 -0.451 265 HB3 PHE 52 HB2 PHE 52 0.490 4.994 -1.023 266 HD1 PHE 52 HD1 PHE 52 -0.386 8.481 -1.599 267 HD2 PHE 52 HD2 PHE 52 1.830 5.148 -3.046 268 HE1 PHE 52 HE1 PHE 52 0.909 9.980 -3.057 269 HE2 PHE 52 HE2 PHE 52 3.129 6.643 -4.507 270 HZ PHE 52 HZ PHE 52 2.669 9.062 -4.513 271 H CYS 53 H CYS 53 -3.025 6.786 -0.872 272 HA CYS 53 HA CYS 53 -4.061 7.928 -3.348 273 HB2 CYS 53 HB1 CYS 53 -5.297 7.195 -1.027 274 HB3 CYS 53 HB2 CYS 53 -5.101 8.930 -0.777 275 H LEU 54 H LEU 54 -2.684 9.429 -4.130 276 HA LEU 54 HA LEU 54 -1.180 11.203 -2.483 277 HB2 LEU 54 HB1 LEU 54 -0.672 10.380 -4.868 278 HB3 LEU 54 HB2 LEU 54 -1.786 11.657 -5.386 279 HG LEU 54 HG LEU 54 0.285 12.623 -3.573 280 HD11 LEU 54 HD11 LEU 54 1.997 12.552 -5.479 281 HD12 LEU 54 HD12 LEU 54 1.040 11.212 -6.107 282 HD13 LEU 54 HD13 LEU 54 1.777 11.095 -4.510 283 HD21 LEU 54 HD21 LEU 54 -1.053 13.400 -6.105 284 HD22 LEU 54 HD22 LEU 54 0.535 14.091 -5.771 285 HD23 LEU 54 HD23 LEU 54 -0.790 14.329 -4.630 286 H GLN 55 H GLN 55 -1.734 13.109 -1.647 287 HA GLN 55 HA GLN 55 -4.204 14.386 -2.621 288 HB2 GLN 55 HB1 GLN 55 -3.077 14.438 0.189 289 HB3 GLN 55 HB2 GLN 55 -4.573 15.216 -0.351 290 HG2 GLN 55 HG1 GLN 55 -5.762 13.327 -0.223 291 HG3 GLN 55 HG2 GLN 55 -4.461 12.358 -0.929 292 HE21 GLN 55 HE21 GLN 55 -5.133 14.156 2.058 293 HE22 GLN 55 HE22 GLN 55 -4.497 12.956 3.125 294 HA PRO 56 HA PRO 56 -0.858 17.394 -3.477 295 HB2 PRO 56 HB1 PRO 56 -2.090 18.460 -5.678 296 HB3 PRO 56 HB2 PRO 56 -1.106 16.997 -5.726 297 HG2 PRO 56 HG1 PRO 56 -4.087 17.279 -5.541 298 HG3 PRO 56 HG2 PRO 56 -3.107 16.184 -6.587 299 HD2 PRO 56 HD1 PRO 56 -4.323 15.337 -4.313 300 HD3 PRO 56 HD2 PRO 56 -2.775 14.682 -4.869 301 H ARG 57 H ARG 57 -0.809 19.642 -3.207 302 HA ARG 57 HA ARG 57 -3.025 20.714 -1.693 303 HB2 ARG 57 HB1 ARG 57 -0.572 21.021 -1.114 304 HB3 ARG 57 HB2 ARG 57 -0.493 22.153 -2.472 305 HG2 ARG 57 HG1 ARG 57 -0.969 23.705 -0.931 306 HG3 ARG 57 HG2 ARG 57 -2.632 23.124 -1.122 307 HD2 ARG 57 HD1 ARG 57 -2.237 21.506 0.731 308 HD3 ARG 57 HD2 ARG 57 -0.640 22.231 0.958 309 HE ARG 57 HE ARG 57 -3.152 23.301 1.821 310 HH11 ARG 57 HH11 ARG 57 0.090 24.113 0.847 311 HH12 ARG 57 HH12 ARG 57 0.115 25.613 1.713 312 HH21 ARG 57 HH21 ARG 57 -3.133 25.274 2.965 313 HH22 ARG 57 HH22 ARG 57 -1.719 26.272 2.918 314 H ASP 58 H ASP 58 -1.323 21.502 -4.707 315 HA ASP 58 HA ASP 58 -3.057 23.686 -5.345 316 HB2 ASP 58 HB1 ASP 58 -0.592 23.116 -6.142 317 HB3 ASP 58 HB2 ASP 58 -1.458 22.296 -7.449 318 HD2 ASP 58 HD ASP 58 -1.072 26.125 -7.690 319 H GLU 59 H GLU 59 -3.141 20.274 -5.815 320 HA GLU 59 HA GLU 59 -5.477 20.579 -7.586 321 HB2 GLU 59 HB1 GLU 59 -3.138 18.814 -7.720 322 HB3 GLU 59 HB2 GLU 59 -4.682 17.964 -7.893 323 HG2 GLU 59 HG1 GLU 59 -5.203 19.881 -9.608 324 HG3 GLU 59 HG2 GLU 59 -3.439 20.009 -9.660 325 HE2 GLU 59 HE GLU 59 -4.722 17.486 -12.053 326 H LYS 60 H LYS 60 -6.775 18.342 -7.469 327 HA LYS 60 HA LYS 60 -7.648 18.167 -4.703 328 HB2 LYS 60 HB1 LYS 60 -8.796 17.570 -7.358 329 HB3 LYS 60 HB2 LYS 60 -9.286 16.471 -6.059 330 HG2 LYS 60 HG1 LYS 60 -9.527 19.016 -4.949 331 HG3 LYS 60 HG2 LYS 60 -10.139 19.172 -6.604 332 HD2 LYS 60 HD1 LYS 60 -11.250 16.789 -5.784 333 HD3 LYS 60 HD2 LYS 60 -11.286 17.774 -4.310 334 HE2 LYS 60 HE1 LYS 60 -12.225 18.920 -6.925 335 HE3 LYS 60 HE2 LYS 60 -13.285 17.883 -5.960 336 HZ1 LYS 60 HZ1 LYS 60 -11.985 20.366 -4.977 337 HZ2 LYS 60 HZ2 LYS 60 -13.058 19.392 -4.105 338 HZ3 LYS 60 HZ3 LYS 60 -13.600 20.240 -5.466 339 HA PRO 61 HA PRO 61 -5.888 14.272 -3.714 340 HB2 PRO 61 HB1 PRO 61 -7.895 13.053 -2.303 341 HB3 PRO 61 HB2 PRO 61 -6.954 14.409 -1.683 342 HG2 PRO 61 HG1 PRO 61 -9.651 14.408 -2.996 343 HG3 PRO 61 HG2 PRO 61 -9.105 15.278 -1.514 344 HD2 PRO 61 HD1 PRO 61 -9.343 16.499 -3.927 345 HD3 PRO 61 HD2 PRO 61 -8.099 16.945 -2.746 346 H PHE 62 H PHE 62 -5.584 12.343 -4.674 347 HA PHE 62 HA PHE 62 -7.784 10.883 -5.851 348 HB2 PHE 62 HB1 PHE 62 -6.558 10.733 -8.081 349 HB3 PHE 62 HB2 PHE 62 -7.380 12.254 -7.733 350 HD1 PHE 62 HD1 PHE 62 -6.261 14.215 -8.131 351 HD2 PHE 62 HD2 PHE 62 -4.020 10.703 -7.262 352 HE1 PHE 62 HE1 PHE 62 -4.171 15.460 -8.504 353 HE2 PHE 62 HE2 PHE 62 -1.927 11.941 -7.632 354 HZ PHE 62 HZ PHE 62 -2.000 14.324 -8.254 355 H CYS 63 H CYS 63 -6.975 8.807 -6.871 356 HA CYS 63 HA CYS 63 -5.046 7.623 -5.063 357 HB2 CYS 63 HB1 CYS 63 -7.267 6.709 -6.668 358 HB3 CYS 63 HB2 CYS 63 -5.843 5.716 -6.975 359 H ALA 64 H ALA 64 -3.040 6.906 -5.566 360 HA ALA 64 HA ALA 64 -2.137 7.263 -8.349 361 HB1 ALA 64 HB1 ALA 64 -0.097 8.184 -7.641 362 HB2 ALA 64 HB2 ALA 64 -1.325 8.997 -6.672 363 HB3 ALA 64 HB3 ALA 64 -0.362 7.700 -5.966 364 H THR 65 H THR 65 -0.077 6.030 -8.799 365 HA THR 65 HA THR 65 -0.357 3.331 -7.688 366 HB THR 65 HB THR 65 1.467 3.717 -9.970 367 HG1 THR 65 HG1 THR 65 0.046 4.553 -11.305 368 HG21 THR 65 HG21 THR 65 -0.420 1.858 -10.659 369 HG22 THR 65 HG22 THR 65 -0.403 1.730 -8.900 370 HG23 THR 65 HG23 THR 65 1.088 1.506 -9.816 371 H CYS 66 H CYS 66 1.731 2.053 -7.571 372 HA CYS 66 HA CYS 66 3.414 3.090 -5.644 373 HB2 CYS 66 HB1 CYS 66 3.119 0.660 -6.908 374 HB3 CYS 66 HB2 CYS 66 4.733 1.161 -7.418 375 H ARG 67 H ARG 67 5.617 3.771 -5.692 376 HA ARG 67 HA ARG 67 6.283 5.247 -8.145 377 HB2 ARG 67 HB1 ARG 67 7.226 5.663 -5.297 378 HB3 ARG 67 HB2 ARG 67 7.709 6.645 -6.689 379 HG2 ARG 67 HG1 ARG 67 4.815 6.460 -6.415 380 HG3 ARG 67 HG2 ARG 67 5.606 7.156 -4.990 381 HD2 ARG 67 HD1 ARG 67 5.401 9.073 -6.194 382 HD3 ARG 67 HD2 ARG 67 6.925 8.496 -6.885 383 HE ARG 67 HE ARG 67 5.858 8.240 -8.882 384 HH11 ARG 67 HH11 ARG 67 3.472 8.278 -6.346 385 HH12 ARG 67 HH12 ARG 67 2.125 8.247 -7.436 386 HH21 ARG 67 HH21 ARG 67 4.092 8.198 -10.326 387 HH22 ARG 67 HH22 ARG 67 2.479 8.200 -9.698 388 H GLY 68 H GLY 68 7.922 4.563 -9.351 389 HA2 GLY 68 HA2 GLY 68 9.468 2.295 -8.671 390 HA3 GLY 68 HA3 GLY 68 9.756 3.363 -10.037 391 HA1 GLY 68 HA1 GLY 68 9.385 2.866 -8.004 392 H LEU 69 H LEU 69 11.974 2.462 -9.067 393 HA LEU 69 HA LEU 69 13.031 3.830 -6.815 394 HB2 LEU 69 HB1 LEU 69 14.391 2.429 -9.122 395 HB3 LEU 69 HB2 LEU 69 15.228 3.043 -7.687 396 HG LEU 69 HG LEU 69 13.205 0.809 -7.787 397 HD11 LEU 69 HD11 LEU 69 16.117 0.961 -7.838 398 HD12 LEU 69 HD12 LEU 69 15.041 -0.369 -8.262 399 HD13 LEU 69 HD13 LEU 69 15.488 -0.100 -6.577 400 HD21 LEU 69 HD21 LEU 69 12.709 1.672 -5.733 401 HD22 LEU 69 HD22 LEU 69 14.303 2.399 -5.527 402 HD23 LEU 69 HD23 LEU 69 14.090 0.662 -5.304 403 H ARG 70 H ARG 70 12.583 4.691 -10.111 404 HA ARG 70 HA ARG 70 14.502 6.889 -9.951 405 HB2 ARG 70 HB1 ARG 70 12.813 5.802 -12.209 406 HB3 ARG 70 HB2 ARG 70 13.799 7.264 -12.352 407 HG2 ARG 70 HG1 ARG 70 15.677 5.584 -11.438 408 HG3 ARG 70 HG2 ARG 70 14.621 4.432 -12.269 409 HD2 ARG 70 HD1 ARG 70 14.925 6.710 -13.955 410 HD3 ARG 70 HD2 ARG 70 16.528 6.218 -13.388 411 HE ARG 70 HE ARG 70 15.183 3.919 -14.212 412 HH11 ARG 70 HH11 ARG 70 16.438 6.864 -15.583 413 HH12 ARG 70 HH12 ARG 70 16.745 6.163 -17.137 414 HH21 ARG 70 HH21 ARG 70 15.582 2.986 -16.256 415 HH22 ARG 70 HH22 ARG 70 16.256 3.958 -17.519 416 H ARG 71 H ARG 71 11.216 6.273 -9.420 417 HA ARG 71 HA ARG 71 10.152 8.807 -10.182 418 HB2 ARG 71 HB1 ARG 71 9.191 6.351 -8.937 419 HB3 ARG 71 HB2 ARG 71 8.468 7.800 -8.221 420 HG2 ARG 71 HG1 ARG 71 7.111 6.885 -10.053 421 HG3 ARG 71 HG2 ARG 71 7.681 8.530 -10.383 422 HD2 ARG 71 HD1 ARG 71 9.384 7.738 -11.866 423 HD3 ARG 71 HD2 ARG 71 9.083 6.062 -11.386 424 HE ARG 71 HE ARG 71 6.697 6.823 -12.384 425 HH11 ARG 71 HH11 ARG 71 9.951 7.032 -13.604 426 HH12 ARG 71 HH12 ARG 71 9.474 6.912 -15.267 427 HH21 ARG 71 HH21 ARG 71 6.057 6.665 -14.567 428 HH22 ARG 71 HH22 ARG 71 7.259 6.704 -15.813 429 H ARG 72 H ARG 72 10.018 10.669 -9.074 430 HA ARG 72 HA ARG 72 11.627 11.044 -6.762 431 HB2 ARG 72 HB1 ARG 72 9.575 12.885 -8.017 432 HB3 ARG 72 HB2 ARG 72 10.782 13.356 -6.810 433 HG2 ARG 72 HG1 ARG 72 11.689 12.103 -9.367 434 HG3 ARG 72 HG2 ARG 72 11.201 13.806 -9.344 435 HD2 ARG 72 HD1 ARG 72 13.183 12.700 -7.361 436 HD3 ARG 72 HD2 ARG 72 13.675 13.275 -8.961 437 HE ARG 72 HE ARG 72 12.093 15.164 -7.468 438 HH11 ARG 72 HH11 ARG 72 15.297 13.980 -8.140 439 HH12 ARG 72 HH12 ARG 72 16.081 15.450 -7.667 440 HH21 ARG 72 HH21 ARG 72 13.114 17.105 -6.843 441 HH22 ARG 72 HH22 ARG 72 14.839 17.227 -6.927 442 H CYS 73 H CYS 73 10.950 11.769 -4.674 443 HA CYS 73 HA CYS 73 8.173 11.483 -3.923 444 HB2 CYS 73 HB1 CYS 73 8.543 9.756 -2.248 445 HB3 CYS 73 HB2 CYS 73 8.973 9.155 -3.851 446 H GLN 74 H GLN 74 8.029 11.710 -1.406 447 HA GLN 74 HA GLN 74 10.029 13.688 -0.534 448 HB2 GLN 74 HB1 GLN 74 7.630 14.490 -1.258 449 HB3 GLN 74 HB2 GLN 74 7.180 13.899 0.349 450 HG2 GLN 74 HG1 GLN 74 7.835 15.823 1.218 451 HG3 GLN 74 HG2 GLN 74 9.488 15.451 0.709 452 HE21 GLN 74 HE21 GLN 74 6.449 16.684 -0.640 453 HE22 GLN 74 HE22 GLN 74 7.180 17.896 -1.631 454 H ARG 75 H ARG 75 7.705 11.214 0.394 455 HA ARG 75 HA ARG 75 9.111 10.962 2.972 456 HB2 ARG 75 HB1 ARG 75 6.353 11.456 2.482 457 HB3 ARG 75 HB2 ARG 75 6.499 9.815 3.127 458 HG2 ARG 75 HG1 ARG 75 8.122 11.117 4.838 459 HG3 ARG 75 HG2 ARG 75 6.976 12.406 4.436 460 HD2 ARG 75 HD1 ARG 75 5.480 10.020 4.860 461 HD3 ARG 75 HD2 ARG 75 6.625 10.201 6.198 462 HE ARG 75 HE ARG 75 5.176 12.608 5.568 463 HH11 ARG 75 HH11 ARG 75 5.178 9.644 7.396 464 HH12 ARG 75 HH12 ARG 75 4.078 10.232 8.597 465 HH21 ARG 75 HH21 ARG 75 3.726 13.393 7.145 466 HH22 ARG 75 HH22 ARG 75 3.252 12.364 8.454 467 H ASP 76 H ASP 76 9.259 8.818 3.845 468 HA ASP 76 HA ASP 76 9.724 6.843 1.799 469 HB2 ASP 76 HB1 ASP 76 9.877 6.247 4.739 470 HB3 ASP 76 HB2 ASP 76 10.877 5.630 3.418 471 HD2 ASP 76 HD ASP 76 13.180 8.122 3.832 472 H ALA 77 H ALA 77 7.227 7.592 4.062 473 HA ALA 77 HA ALA 77 6.029 5.005 4.166 474 HB1 ALA 77 HB1 ALA 77 5.127 7.757 4.929 475 HB2 ALA 77 HB2 ALA 77 4.012 6.390 4.970 476 HB3 ALA 77 HB3 ALA 77 5.470 6.370 5.963 477 H MET 78 H MET 78 5.725 7.790 2.065 478 HA MET 78 HA MET 78 3.362 6.815 0.742 479 HB2 MET 78 HB1 MET 78 3.686 8.701 -0.790 480 HB3 MET 78 HB2 MET 78 3.786 9.217 0.901 481 HG2 MET 78 HG1 MET 78 5.950 9.827 0.748 482 HG3 MET 78 HG2 MET 78 6.347 8.496 -0.343 483 HE1 MET 78 HE1 MET 78 6.267 9.869 -3.763 484 HE2 MET 78 HE2 MET 78 6.811 8.657 -2.603 485 HE3 MET 78 HE3 MET 78 5.123 8.694 -3.113 486 H CYS 79 H CYS 79 6.756 6.372 0.431 487 HA CYS 79 HA CYS 79 6.895 5.720 -2.315 488 HB2 CYS 79 HB1 CYS 79 8.655 5.748 -0.051 489 HB3 CYS 79 HB2 CYS 79 8.836 4.210 -0.895 490 H CYS 80 H CYS 80 7.854 3.340 -2.781 491 HA CYS 80 HA CYS 80 5.618 1.612 -2.594 492 HB2 CYS 80 HB1 CYS 80 8.413 1.383 -3.642 493 HB3 CYS 80 HB2 CYS 80 7.465 -0.090 -3.429 494 HA PRO 81 HA PRO 81 6.286 -0.653 1.103 495 HB2 PRO 81 HB1 PRO 81 5.598 -3.199 0.367 496 HB3 PRO 81 HB2 PRO 81 4.429 -1.894 0.564 497 HG2 PRO 81 HG1 PRO 81 5.727 -2.921 -1.936 498 HG3 PRO 81 HG2 PRO 81 3.997 -2.515 -1.634 499 HD2 PRO 81 HD1 PRO 81 5.683 -0.853 -2.964 500 HD3 PRO 81 HD2 PRO 81 4.376 -0.259 -1.925 501 H GLY 82 H GLY 82 8.245 -1.012 1.936 502 HA2 GLY 82 HA2 GLY 82 10.042 -2.499 2.398 503 HA3 GLY 82 HA3 GLY 82 9.887 -3.147 0.772 504 HA1 GLY 82 HA1 GLY 82 9.896 -1.638 2.269 505 H THR 83 H THR 83 9.666 0.109 0.451 506 HA THR 83 HA THR 83 12.567 0.371 -0.008 507 HB THR 83 HB THR 83 11.550 2.304 -1.599 508 HG1 THR 83 HG1 THR 83 9.679 0.153 -1.702 509 HG21 THR 83 HG21 THR 83 12.514 -0.431 -1.968 510 HG22 THR 83 HG22 THR 83 12.948 1.047 -2.826 511 HG23 THR 83 HG23 THR 83 11.509 0.145 -3.297 512 H LEU 84 H LEU 84 13.190 2.801 -0.153 513 HA LEU 84 HA LEU 84 11.811 4.311 1.960 514 HB2 LEU 84 HB1 LEU 84 14.712 3.612 1.719 515 HB3 LEU 84 HB2 LEU 84 14.238 5.143 2.475 516 HG LEU 84 HG LEU 84 12.669 3.380 3.828 517 HD11 LEU 84 HD11 LEU 84 14.103 1.614 2.503 518 HD12 LEU 84 HD12 LEU 84 13.666 1.358 4.192 519 HD13 LEU 84 HD13 LEU 84 15.275 1.949 3.778 520 HD21 LEU 84 HD21 LEU 84 14.939 3.455 5.358 521 HD22 LEU 84 HD22 LEU 84 13.704 4.713 5.295 522 HD23 LEU 84 HD23 LEU 84 15.150 4.846 4.294 523 H CYS 85 H CYS 85 12.348 6.645 1.937 524 HA CYS 85 HA CYS 85 12.631 7.574 -0.835 525 HB2 CYS 85 HB1 CYS 85 10.550 8.113 0.522 526 HB3 CYS 85 HB2 CYS 85 11.575 9.158 1.508 527 H VAL 86 H VAL 86 14.621 8.203 -1.335 528 HA VAL 86 HA VAL 86 16.045 9.957 0.543 529 HB VAL 86 HB VAL 86 17.417 7.779 -1.034 530 HG11 VAL 86 HG11 VAL 86 19.240 8.371 0.696 531 HG12 VAL 86 HG12 VAL 86 18.989 9.454 -0.674 532 HG13 VAL 86 HG13 VAL 86 18.331 9.866 0.909 533 HG21 VAL 86 HG21 VAL 86 17.779 6.749 1.239 534 HG22 VAL 86 HG22 VAL 86 16.543 7.851 1.846 535 HG23 VAL 86 HG23 VAL 86 16.132 6.657 0.615 536 H ASN 87 H ASN 87 17.221 11.597 -0.380 537 HA ASN 87 HA ASN 87 17.791 13.152 -1.939 538 HB2 ASN 87 HB1 ASN 87 18.880 10.801 -2.782 539 HB3 ASN 87 HB2 ASN 87 17.901 11.241 -4.187 540 HD21 ASN 87 HD21 ASN 87 20.578 12.157 -2.170 541 HD22 ASN 87 HD22 ASN 87 21.239 13.341 -3.239 542 H ASP 88 H ASP 88 14.984 12.496 -1.551 543 HA ASP 88 HA ASP 88 12.962 13.112 -2.395 544 HB2 ASP 88 HB1 ASP 88 14.847 14.855 -3.601 545 HB3 ASP 88 HB2 ASP 88 13.708 14.368 -4.865 546 HD2 ASP 88 HD ASP 88 11.511 16.691 -3.674 547 H VAL 89 H VAL 89 14.398 10.639 -3.263 548 HA VAL 89 HA VAL 89 12.553 9.938 -5.402 549 HB VAL 89 HB VAL 89 14.502 10.607 -6.668 550 HG11 VAL 89 HG11 VAL 89 16.661 9.381 -6.354 551 HG12 VAL 89 HG12 VAL 89 16.232 10.464 -5.029 552 HG13 VAL 89 HG13 VAL 89 16.002 8.724 -4.857 553 HG21 VAL 89 HG21 VAL 89 14.250 7.605 -6.503 554 HG22 VAL 89 HG22 VAL 89 13.269 8.684 -7.494 555 HG23 VAL 89 HG23 VAL 89 14.989 8.494 -7.835 556 H CYS 90 H CYS 90 12.006 7.775 -5.450 557 HA CYS 90 HA CYS 90 12.241 6.323 -3.061 558 HB2 CYS 90 HB1 CYS 90 10.732 6.138 -5.383 559 HB3 CYS 90 HB2 CYS 90 11.698 4.663 -5.400 560 H THR 91 H THR 91 13.462 4.555 -2.469 561 HA THR 91 HA THR 91 15.495 3.543 -4.289 562 HB THR 91 HB THR 91 16.544 5.502 -3.152 563 HG1 THR 91 HG1 THR 91 18.346 4.392 -3.239 564 HG21 THR 91 HG21 THR 91 15.385 5.368 -1.011 565 HG22 THR 91 HG22 THR 91 17.131 5.290 -0.772 566 HG23 THR 91 HG23 THR 91 16.160 3.821 -0.672 567 H THR 92 H THR 92 16.406 1.552 -3.636 568 HA THR 92 HA THR 92 14.644 -0.057 -2.047 569 HB THR 92 HB THR 92 16.896 -1.604 -2.504 570 HG1 THR 92 HG1 THR 92 17.668 -1.066 -4.486 571 HG21 THR 92 HG21 THR 92 15.515 -2.405 -4.519 572 HG22 THR 92 HG22 THR 92 14.333 -1.195 -4.018 573 HG23 THR 92 HG23 THR 92 14.773 -2.505 -2.922 574 H MET 93 H MET 93 15.275 -1.342 -0.217 575 HA MET 93 HA MET 93 16.528 0.114 1.816 576 HB2 MET 93 HB1 MET 93 14.990 -2.157 1.685 577 HB3 MET 93 HB2 MET 93 16.564 -2.797 2.183 578 HG2 MET 93 HG1 MET 93 16.563 -1.012 3.998 579 HG3 MET 93 HG2 MET 93 14.862 -0.771 3.594 580 HE1 MET 93 HE1 MET 93 16.235 -1.542 6.346 581 HE2 MET 93 HE2 MET 93 15.961 -3.195 6.893 582 HE3 MET 93 HE3 MET 93 17.302 -2.839 5.802 583 H GLU 94 H GLU 94 17.814 -2.051 -0.567 584 HA GLU 94 HA GLU 94 20.352 -2.346 0.817 585 HB2 GLU 94 HB1 GLU 94 19.514 -3.277 -1.941 586 HB3 GLU 94 HB2 GLU 94 20.999 -3.734 -1.092 587 HG2 GLU 94 HG1 GLU 94 19.953 -5.205 0.275 588 HG3 GLU 94 HG2 GLU 94 18.457 -4.262 0.314 589 HE2 GLU 94 HE GLU 94 17.779 -5.724 -2.999 590 H ASP 95 H ASP 95 18.916 -0.400 -1.662 591 HA ASP 95 HA ASP 95 21.345 0.498 -2.857 592 HB2 ASP 95 HB1 ASP 95 18.475 1.057 -3.116 593 HB3 ASP 95 HB2 ASP 95 19.500 2.476 -3.373 594 HD2 ASP 95 HD ASP 95 20.560 1.339 -6.428 595 H ALA 96 H ALA 96 19.297 1.637 -0.237 596 HA ALA 96 HA ALA 96 20.383 4.188 0.111 597 HB1 ALA 96 HB1 ALA 96 18.386 2.839 1.290 598 HB2 ALA 96 HB2 ALA 96 19.612 2.722 2.553 599 HB3 ALA 96 HB3 ALA 96 19.099 4.304 1.966 600 H THR 97 H THR 97 21.434 4.564 2.507 601 HA THR 97 HA THR 97 23.351 4.506 3.734 602 HB THR 97 HB THR 97 24.097 1.756 2.915 603 HG1 THR 97 HG1 THR 97 21.885 2.096 4.647 604 HG21 THR 97 HG21 THR 97 25.109 3.175 4.790 605 HG22 THR 97 HG22 THR 97 24.666 1.514 5.183 606 HG23 THR 97 HG23 THR 97 23.620 2.845 5.677 607 H GLU 98 H GLU 98 23.342 5.158 0.832 608 HA GLU 98 HA GLU 98 24.809 5.683 -0.828 609 HB2 GLU 98 HB1 GLU 98 25.981 6.373 1.573 610 HB3 GLU 98 HB2 GLU 98 27.241 5.418 0.776 611 HG2 GLU 98 HG1 GLU 98 27.306 6.873 -1.095 612 HG3 GLU 98 HG2 GLU 98 25.837 7.707 -0.568 613 HE2 GLU 98 HE GLU 98 29.138 8.531 1.494 614 H ASN 99 H ASN 99 24.245 2.832 -0.225 615 HA ASN 99 HA ASN 99 24.918 0.747 -0.851 616 HB2 ASN 99 HB1 ASN 99 25.926 2.608 -2.923 617 HB3 ASN 99 HB2 ASN 99 26.639 0.991 -2.930 618 HD21 ASN 99 HD21 ASN 99 24.881 -0.780 -2.572 619 HD22 ASN 99 HD22 ASN 99 23.503 -0.640 -3.604 620 H LEU 100 H LEU 100 26.056 0.333 1.100 621 HA LEU 100 HA LEU 100 28.719 1.007 1.604 622 HB2 LEU 100 HB1 LEU 100 27.174 -1.427 2.512 623 HB3 LEU 100 HB2 LEU 100 28.699 -0.855 3.210 624 HG LEU 100 HG LEU 100 26.180 0.796 3.214 625 HD11 LEU 100 HD11 LEU 100 25.382 -0.758 4.623 626 HD12 LEU 100 HD12 LEU 100 26.488 -0.015 5.778 627 HD13 LEU 100 HD13 LEU 100 26.971 -1.470 4.906 628 HD21 LEU 100 HD21 LEU 100 27.355 2.335 4.339 629 HD22 LEU 100 HD22 LEU 100 28.773 1.514 3.684 630 HD23 LEU 100 HD23 LEU 100 28.197 1.125 5.306 631 H TYR 101 H TYR 101 30.604 -0.415 1.634 632 HA TYR 101 HA TYR 101 30.618 -2.712 -0.111 633 HB2 TYR 101 HB1 TYR 101 32.105 -1.882 -1.776 634 HB3 TYR 101 HB2 TYR 101 30.783 -0.720 -1.651 635 HD1 TYR 101 HD1 TYR 101 34.347 -1.264 -1.055 636 HD2 TYR 101 HD2 TYR 101 31.128 1.493 -0.682 637 HE1 TYR 101 HE1 TYR 101 35.958 0.554 -0.668 638 HE2 TYR 101 HE2 TYR 101 32.730 3.319 -0.295 639 HH TYR 101 HH TYR 101 34.874 3.905 -0.232 640 H PHE 102 H PHE 102 33.087 -3.342 -0.464 641 HA PHE 102 HA PHE 102 34.429 -3.006 2.138 642 HB2 PHE 102 HB1 PHE 102 33.838 -5.422 0.515 643 HB3 PHE 102 HB2 PHE 102 35.427 -5.363 1.282 644 HD1 PHE 102 HD1 PHE 102 35.704 -5.880 3.536 645 HD2 PHE 102 HD2 PHE 102 31.803 -5.099 2.023 646 HE1 PHE 102 HE1 PHE 102 34.732 -6.619 5.672 647 HE2 PHE 102 HE2 PHE 102 30.825 -5.835 4.157 648 HZ PHE 102 HZ PHE 102 32.290 -6.596 5.985 649 H GLN 103 H GLN 103 36.379 -2.118 2.060 650 HA GLN 103 HA GLN 103 37.580 -1.202 -0.279 651 HB2 GLN 103 HB1 GLN 103 37.988 -0.822 2.397 652 HB3 GLN 103 HB2 GLN 103 39.434 -1.736 1.939 653 HG2 GLN 103 HG1 GLN 103 40.207 -0.089 0.514 654 HG3 GLN 103 HG2 GLN 103 38.601 0.625 0.318 655 HE21 GLN 103 HE21 GLN 103 38.074 2.324 1.521 656 HE22 GLN 103 HE22 GLN 103 38.983 2.920 2.863 657 H SER 104 H SER 104 39.946 -1.769 -0.846 658 HA SER 104 HA SER 104 40.053 -4.675 -1.264 659 HB2 SER 104 HB1 SER 104 41.965 -3.115 -2.820 660 HB3 SER 104 HB2 SER 104 40.725 -4.256 -3.369 661 HG SER 104 HG SER 104 40.513 -1.484 -2.936 662 H LEU 105 H LEU 105 42.396 -5.489 -1.555 663 HA LEU 105 HA LEU 105 43.996 -4.448 0.688 664 HB2 LEU 105 HB1 LEU 105 43.465 -7.213 -0.320 665 HB3 LEU 105 HB2 LEU 105 44.998 -6.863 0.498 666 HG LEU 105 HG LEU 105 43.500 -5.941 2.401 667 HD11 LEU 105 HD11 LEU 105 41.318 -6.937 2.574 668 HD12 LEU 105 HD12 LEU 105 41.540 -7.783 1.042 669 HD13 LEU 105 HD13 LEU 105 41.418 -6.024 1.068 670 HD21 LEU 105 HD21 LEU 105 43.059 -8.773 2.524 671 HD22 LEU 105 HD22 LEU 105 44.210 -7.781 3.420 672 HD23 LEU 105 HD23 LEU 105 44.651 -8.438 1.843 673 H GLU 106 H GLU 106 45.966 -3.689 0.263 674 HA GLU 106 HA GLU 106 47.129 -4.270 -2.381 675 HB2 GLU 106 HB1 GLU 106 48.267 -2.099 -2.232 676 HB3 GLU 106 HB2 GLU 106 46.508 -1.925 -2.141 677 HG2 GLU 106 HG1 GLU 106 46.985 -2.037 0.462 678 HG3 GLU 106 HG2 GLU 106 48.569 -1.450 -0.065 679 HE2 GLU 106 HE GLU 106 47.358 1.716 -0.525 680 H HIS 107 H HIS 107 49.125 -5.118 -2.488 681 HA HIS 107 HA HIS 107 50.383 -5.968 -0.035 682 HB2 HIS 107 HB1 HIS 107 51.265 -6.341 -2.910 683 HB3 HIS 107 HB2 HIS 107 51.943 -7.169 -1.503 684 HD1 HIS 107 HD1 HIS 107 50.809 -9.270 -0.729 685 HD2 HIS 107 HD2 HIS 107 48.537 -7.153 -3.488 686 HE1 HIS 107 HE1 HIS 107 48.878 -10.774 -1.304 687 HE2 HIS 107 HE2 HIS 107 47.488 -9.481 -2.992 688 H HIS 108 H HIS 108 52.804 -5.746 0.181 689 HA HIS 108 HA HIS 108 53.612 -3.009 -0.555 690 HB2 HIS 108 HB1 HIS 108 53.189 -3.783 1.951 691 HB3 HIS 108 HB2 HIS 108 54.838 -4.394 1.787 692 HD1 HIS 108 HD1 HIS 108 53.582 -1.773 3.409 693 HD2 HIS 108 HD2 HIS 108 56.165 -1.881 0.156 694 HE1 HIS 108 HE1 HIS 108 54.799 0.427 3.444 695 HE2 HIS 108 HE2 HIS 108 56.377 0.364 1.455 696 H HIS 109 H HIS 109 55.103 -6.081 0.489 697 HA HIS 109 HA HIS 109 56.926 -7.217 -0.260 698 HB2 HIS 109 HB1 HIS 109 55.801 -5.943 -2.652 699 HB3 HIS 109 HB2 HIS 109 57.525 -6.305 -2.790 700 HD1 HIS 109 HD1 HIS 109 54.847 -7.775 -4.089 701 HD2 HIS 109 HD2 HIS 109 57.542 -9.222 -1.277 702 HE1 HIS 109 HE1 HIS 109 54.684 -10.281 -4.228 703 HE2 HIS 109 HE2 HIS 109 56.332 -11.166 -2.512 704 H HIS 110 H HIS 110 59.224 -6.955 -0.915 705 HA HIS 110 HA HIS 110 60.463 -4.460 -1.202 706 HB2 HIS 110 HB1 HIS 110 59.586 -4.937 1.436 707 HB3 HIS 110 HB2 HIS 110 61.334 -5.187 1.449 708 HD1 HIS 110 HD1 HIS 110 62.848 -3.150 1.064 709 HD2 HIS 110 HD2 HIS 110 58.790 -2.276 0.895 710 HE1 HIS 110 HE1 HIS 110 62.698 -0.640 1.113 711 HE2 HIS 110 HE2 HIS 110 60.218 -0.106 1.009 712 H HIS 111 H HIS 111 62.649 -4.661 -1.583 713 HA HIS 111 HA HIS 111 64.601 -5.693 -2.126 714 HB2 HIS 111 HB1 HIS 111 63.875 -6.662 0.462 715 HB3 HIS 111 HB2 HIS 111 64.580 -7.999 -0.450 716 HD1 HIS 111 HD1 HIS 111 67.070 -8.060 -0.659 717 HD2 HIS 111 HD2 HIS 111 65.680 -4.368 0.647 718 HE1 HIS 111 HE1 HIS 111 69.125 -6.745 -0.049 719 HE2 HIS 111 HE2 HIS 111 68.276 -4.488 0.749 720 H HIS 112 H HIS 112 65.509 -8.084 -2.596 721 HA HIS 112 HA HIS 112 64.098 -9.012 -4.824 722 HB2 HIS 112 HB1 HIS 112 66.330 -10.172 -3.170 723 HB3 HIS 112 HB2 HIS 112 65.644 -11.070 -4.528 724 HD1 HIS 112 HD1 HIS 112 67.224 -10.885 -6.416 725 HD2 HIS 112 HD2 HIS 112 66.791 -7.274 -4.408 726 HE1 HIS 112 HE1 HIS 112 68.605 -9.228 -7.708 727 HE2 HIS 112 HE2 HIS 112 68.340 -7.020 -6.483 Start of MODEL 25 1 H1 MET 18 H MET 18 -60.794 34.919 -9.836 2 HA MET 18 HA MET 18 -61.897 33.930 -12.377 3 HB2 MET 18 HB1 MET 18 -59.902 35.008 -13.506 4 HB3 MET 18 HB2 MET 18 -61.155 36.114 -12.925 5 HG2 MET 18 HG1 MET 18 -59.781 37.128 -11.477 6 HG3 MET 18 HG2 MET 18 -59.058 35.602 -10.966 7 HE1 MET 18 HE1 MET 18 -57.158 38.578 -11.735 8 HE2 MET 18 HE2 MET 18 -57.333 38.778 -13.478 9 HE3 MET 18 HE3 MET 18 -58.764 38.740 -12.446 10 H LEU 19 H LEU 19 -61.272 31.910 -12.712 11 HA LEU 19 HA LEU 19 -58.549 31.090 -12.451 12 HB2 LEU 19 HB1 LEU 19 -59.213 29.168 -10.852 13 HB3 LEU 19 HB2 LEU 19 -58.860 30.773 -10.189 14 HG LEU 19 HG LEU 19 -61.694 30.329 -10.787 15 HD11 LEU 19 HD11 LEU 19 -62.006 28.941 -8.730 16 HD12 LEU 19 HD12 LEU 19 -60.269 28.639 -8.743 17 HD13 LEU 19 HD13 LEU 19 -61.269 28.092 -10.089 18 HD21 LEU 19 HD21 LEU 19 -60.018 31.474 -8.589 19 HD22 LEU 19 HD22 LEU 19 -61.729 31.137 -8.324 20 HD23 LEU 19 HD23 LEU 19 -61.237 32.260 -9.593 21 H VAL 20 H VAL 20 -58.132 29.439 -13.804 22 HA VAL 20 HA VAL 20 -60.442 28.121 -15.063 23 HB VAL 20 HB VAL 20 -59.045 27.717 -16.997 24 HG11 VAL 20 HG11 VAL 20 -60.216 29.893 -16.770 25 HG12 VAL 20 HG12 VAL 20 -58.726 30.587 -16.126 26 HG13 VAL 20 HG13 VAL 20 -58.773 29.975 -17.781 27 HG21 VAL 20 HG21 VAL 20 -56.903 27.325 -16.114 28 HG22 VAL 20 HG22 VAL 20 -56.745 28.819 -17.037 29 HG23 VAL 20 HG23 VAL 20 -56.870 28.879 -15.279 30 H LEU 21 H LEU 21 -60.510 25.908 -15.292 31 HA LEU 21 HA LEU 21 -58.982 24.398 -13.381 32 HB2 LEU 21 HB1 LEU 21 -61.442 24.108 -14.800 33 HB3 LEU 21 HB2 LEU 21 -60.434 22.685 -15.114 34 HG LEU 21 HG LEU 21 -60.286 23.079 -12.352 35 HD11 LEU 21 HD11 LEU 21 -62.696 23.022 -11.727 36 HD12 LEU 21 HD12 LEU 21 -63.086 23.492 -13.382 37 HD13 LEU 21 HD13 LEU 21 -62.148 24.578 -12.356 38 HD21 LEU 21 HD21 LEU 21 -60.323 20.950 -13.611 39 HD22 LEU 21 HD22 LEU 21 -62.051 21.178 -13.890 40 HD23 LEU 21 HD23 LEU 21 -61.443 20.965 -12.249 41 H ASP 22 H ASP 22 -57.256 23.137 -13.729 42 HA ASP 22 HA ASP 22 -56.625 21.875 -16.168 43 HB2 ASP 22 HB1 ASP 22 -55.924 24.609 -16.101 44 HB3 ASP 22 HB2 ASP 22 -54.419 23.706 -15.883 45 HD2 ASP 22 HD ASP 22 -55.201 22.060 -19.060 46 H PHE 23 H PHE 23 -55.377 20.189 -15.691 47 HA PHE 23 HA PHE 23 -53.242 20.361 -13.769 48 HB2 PHE 23 HB1 PHE 23 -55.853 19.113 -13.094 49 HB3 PHE 23 HB2 PHE 23 -54.406 18.220 -12.624 50 HD1 PHE 23 HD1 PHE 23 -56.670 20.716 -11.641 51 HD2 PHE 23 HD2 PHE 23 -52.569 19.607 -11.376 52 HE1 PHE 23 HE1 PHE 23 -56.418 22.136 -9.647 53 HE2 PHE 23 HE2 PHE 23 -52.311 21.024 -9.382 54 HZ PHE 23 HZ PHE 23 -54.237 22.291 -8.514 55 H ASN 24 H ASN 24 -55.361 18.067 -15.480 56 HA ASN 24 HA ASN 24 -54.909 16.284 -16.817 57 HB2 ASN 24 HB1 ASN 24 -52.843 18.218 -17.360 58 HB3 ASN 24 HB2 ASN 24 -52.182 16.583 -17.491 59 HD21 ASN 24 HD21 ASN 24 -52.238 15.828 -19.467 60 HD22 ASN 24 HD22 ASN 24 -53.465 16.128 -20.645 61 H ASN 25 H ASN 25 -53.153 14.450 -17.143 62 HA ASN 25 HA ASN 25 -51.779 13.848 -14.638 63 HB2 ASN 25 HB1 ASN 25 -52.793 11.457 -14.850 64 HB3 ASN 25 HB2 ASN 25 -53.751 12.739 -14.098 65 HD21 ASN 25 HD21 ASN 25 -53.210 11.054 -17.145 66 HD22 ASN 25 HD22 ASN 25 -54.815 11.260 -17.751 67 H ILE 26 H ILE 26 -50.375 11.915 -14.833 68 HA ILE 26 HA ILE 26 -49.611 11.308 -17.602 69 HB ILE 26 HB ILE 26 -47.232 11.497 -17.034 70 HG12 ILE 26 HG11 ILE 26 -48.186 12.758 -14.452 71 HG13 ILE 26 HG12 ILE 26 -47.527 11.119 -14.580 72 HG21 ILE 26 HG21 ILE 26 -47.082 13.900 -17.080 73 HG22 ILE 26 HG22 ILE 26 -48.463 13.390 -18.049 74 HG23 ILE 26 HG23 ILE 26 -48.716 14.051 -16.433 75 HD11 ILE 26 HD11 ILE 26 -45.386 11.935 -15.216 76 HD12 ILE 26 HD12 ILE 26 -46.000 13.582 -15.372 77 HD13 ILE 26 HD13 ILE 26 -45.901 12.823 -13.783 78 H ARG 27 H ARG 27 -47.902 9.489 -17.595 79 HA ARG 27 HA ARG 27 -48.313 7.605 -15.396 80 HB2 ARG 27 HB1 ARG 27 -50.034 7.121 -17.110 81 HB3 ARG 27 HB2 ARG 27 -48.746 6.881 -18.299 82 HG2 ARG 27 HG1 ARG 27 -47.909 4.965 -17.127 83 HG3 ARG 27 HG2 ARG 27 -49.027 5.254 -15.784 84 HD2 ARG 27 HD1 ARG 27 -50.393 3.807 -16.820 85 HD3 ARG 27 HD2 ARG 27 -50.720 5.142 -17.933 86 HE ARG 27 HE ARG 27 -49.646 3.965 -19.559 87 HH11 ARG 27 HH11 ARG 27 -48.559 2.809 -16.461 88 HH12 ARG 27 HH12 ARG 27 -47.586 1.540 -17.130 89 HH21 ARG 27 HH21 ARG 27 -48.370 2.299 -20.451 90 HH22 ARG 27 HH22 ARG 27 -47.479 1.251 -19.400 91 H SER 28 H SER 28 -46.523 6.497 -14.880 92 HA SER 28 HA SER 28 -44.533 5.637 -16.648 93 HB2 SER 28 HB1 SER 28 -44.351 8.411 -16.061 94 HB3 SER 28 HB2 SER 28 -43.037 7.603 -15.189 95 HG SER 28 HG SER 28 -43.599 7.314 -17.958 96 H SER 29 H SER 29 -42.803 4.551 -15.589 97 HA SER 29 HA SER 29 -42.318 4.574 -12.835 98 HB2 SER 29 HB1 SER 29 -43.366 2.200 -12.436 99 HB3 SER 29 HB2 SER 29 -44.376 3.649 -12.282 100 HG SER 29 HG SER 29 -45.302 1.934 -13.581 101 H ALA 30 H ALA 30 -40.215 4.161 -13.105 102 HA ALA 30 HA ALA 30 -39.410 1.528 -13.978 103 HB1 ALA 30 HB1 ALA 30 -38.189 2.063 -15.850 104 HB2 ALA 30 HB2 ALA 30 -39.564 3.156 -16.019 105 HB3 ALA 30 HB3 ALA 30 -38.029 3.759 -15.394 106 H ASP 31 H ASP 31 -37.891 4.734 -13.577 107 HA ASP 31 HA ASP 31 -36.145 5.436 -12.297 108 HB2 ASP 31 HB1 ASP 31 -37.713 3.617 -10.570 109 HB3 ASP 31 HB2 ASP 31 -36.063 3.945 -10.027 110 HD2 ASP 31 HD ASP 31 -38.182 7.266 -10.404 111 H LEU 32 H LEU 32 -34.478 4.797 -13.663 112 HA LEU 32 HA LEU 32 -32.824 2.651 -12.620 113 HB2 LEU 32 HB1 LEU 32 -32.478 1.641 -14.840 114 HB3 LEU 32 HB2 LEU 32 -34.141 1.473 -14.253 115 HG LEU 32 HG LEU 32 -33.932 3.830 -15.875 116 HD11 LEU 32 HD11 LEU 32 -33.172 3.034 -17.920 117 HD12 LEU 32 HD12 LEU 32 -33.257 1.349 -17.409 118 HD13 LEU 32 HD13 LEU 32 -31.990 2.398 -16.775 119 HD21 LEU 32 HD21 LEU 32 -35.384 1.208 -16.214 120 HD22 LEU 32 HD22 LEU 32 -35.692 2.673 -17.147 121 HD23 LEU 32 HD23 LEU 32 -35.997 2.653 -15.410 122 H HIS 33 H HIS 33 -32.447 5.394 -12.475 123 HA HIS 33 HA HIS 33 -29.873 5.636 -13.711 124 HB2 HIS 33 HB1 HIS 33 -32.231 7.007 -14.860 125 HB3 HIS 33 HB2 HIS 33 -30.803 8.021 -14.616 126 HD1 HIS 33 HD1 HIS 33 -28.508 6.368 -15.472 127 HD2 HIS 33 HD2 HIS 33 -32.159 6.223 -17.450 128 HE1 HIS 33 HE1 HIS 33 -27.992 5.498 -17.774 129 HE2 HIS 33 HE2 HIS 33 -30.223 5.409 -18.984 130 H GLY 34 H GLY 34 -28.562 6.964 -12.559 131 HA2 GLY 34 HA2 GLY 34 -28.906 9.259 -11.263 132 HA3 GLY 34 HA3 GLY 34 -29.709 8.153 -10.157 133 HA1 GLY 34 HA1 GLY 34 -28.338 8.725 -11.679 134 H ALA 35 H ALA 35 -27.348 9.780 -9.690 135 HA ALA 35 HA ALA 35 -25.690 7.737 -8.531 136 HB1 ALA 35 HB1 ALA 35 -24.416 9.557 -10.566 137 HB2 ALA 35 HB2 ALA 35 -23.638 8.271 -9.644 138 HB3 ALA 35 HB3 ALA 35 -24.842 7.873 -10.868 139 H ARG 36 H ARG 36 -23.927 8.677 -7.206 140 HA ARG 36 HA ARG 36 -24.864 11.130 -5.953 141 HB2 ARG 36 HB1 ARG 36 -22.723 9.146 -5.155 142 HB3 ARG 36 HB2 ARG 36 -23.177 10.568 -4.205 143 HG2 ARG 36 HG1 ARG 36 -25.542 9.622 -4.181 144 HG3 ARG 36 HG2 ARG 36 -24.815 8.123 -4.784 145 HD2 ARG 36 HD1 ARG 36 -23.153 8.688 -2.704 146 HD3 ARG 36 HD2 ARG 36 -24.685 9.345 -2.111 147 HE ARG 36 HE ARG 36 -25.427 7.210 -1.817 148 HH11 ARG 36 HH11 ARG 36 -22.779 7.164 -4.076 149 HH12 ARG 36 HH12 ARG 36 -22.719 5.435 -4.171 150 HH21 ARG 36 HH21 ARG 36 -25.358 4.933 -1.932 151 HH22 ARG 36 HH22 ARG 36 -24.186 4.167 -2.951 152 H LYS 37 H LYS 37 -21.753 9.842 -7.129 153 HA LYS 37 HA LYS 37 -19.896 10.863 -7.954 154 HB2 LYS 37 HB1 LYS 37 -21.943 11.859 -9.374 155 HB3 LYS 37 HB2 LYS 37 -21.363 13.356 -8.630 156 HG2 LYS 37 HG1 LYS 37 -19.020 12.427 -9.481 157 HG3 LYS 37 HG2 LYS 37 -20.076 11.626 -10.657 158 HD2 LYS 37 HD1 LYS 37 -19.626 13.616 -11.739 159 HD3 LYS 37 HD2 LYS 37 -21.140 13.998 -10.901 160 HE2 LYS 37 HE1 LYS 37 -19.916 15.836 -10.299 161 HE3 LYS 37 HE2 LYS 37 -19.480 14.739 -8.980 162 HZ1 LYS 37 HZ1 LYS 37 -17.430 14.237 -9.999 163 HZ2 LYS 37 HZ2 LYS 37 -17.584 15.920 -10.082 164 HZ3 LYS 37 HZ3 LYS 37 -17.871 14.975 -11.456 165 H GLY 38 H GLY 38 -18.737 11.169 -6.080 166 HA2 GLY 38 HA2 GLY 38 -17.843 13.636 -5.362 167 HA3 GLY 38 HA3 GLY 38 -19.251 13.402 -4.337 168 HA1 GLY 38 HA1 GLY 38 -17.609 12.807 -5.548 169 H SER 39 H SER 39 -16.778 13.756 -3.213 170 HA SER 39 HA SER 39 -15.292 12.866 -1.736 171 HB2 SER 39 HB1 SER 39 -17.136 10.518 -1.363 172 HB3 SER 39 HB2 SER 39 -16.175 11.390 -0.156 173 HG SER 39 HG SER 39 -18.608 12.141 -1.358 174 H GLN 40 H GLN 40 -13.745 12.412 -3.377 175 HA GLN 40 HA GLN 40 -13.632 10.033 -4.858 176 HB2 GLN 40 HB1 GLN 40 -11.581 12.066 -4.025 177 HB3 GLN 40 HB2 GLN 40 -11.097 10.604 -4.899 178 HG2 GLN 40 HG1 GLN 40 -13.350 12.065 -6.096 179 HG3 GLN 40 HG2 GLN 40 -11.811 12.936 -6.072 180 HE21 GLN 40 HE21 GLN 40 -11.903 12.783 -8.388 181 HE22 GLN 40 HE22 GLN 40 -11.374 11.340 -9.176 182 H CYS 41 H CYS 41 -11.665 10.911 -2.011 183 HA CYS 41 HA CYS 41 -11.997 8.311 -0.844 184 HB2 CYS 41 HB1 CYS 41 -9.716 7.562 -0.952 185 HB3 CYS 41 HB2 CYS 41 -10.273 7.881 -2.597 186 H LEU 42 H LEU 42 -11.533 8.307 1.313 187 HA LEU 42 HA LEU 42 -10.899 10.892 2.485 188 HB2 LEU 42 HB1 LEU 42 -12.627 8.835 3.165 189 HB3 LEU 42 HB2 LEU 42 -11.311 8.695 4.343 190 HG LEU 42 HG LEU 42 -11.753 11.294 4.609 191 HD11 LEU 42 HD11 LEU 42 -14.448 11.251 4.590 192 HD12 LEU 42 HD12 LEU 42 -14.104 10.264 3.169 193 HD13 LEU 42 HD13 LEU 42 -13.464 11.903 3.279 194 HD21 LEU 42 HD21 LEU 42 -13.145 8.955 5.850 195 HD22 LEU 42 HD22 LEU 42 -13.529 10.599 6.361 196 HD23 LEU 42 HD23 LEU 42 -11.881 9.990 6.517 197 H SER 43 H SER 43 -9.446 7.789 1.988 198 HA SER 43 HA SER 43 -6.910 8.769 2.933 199 HB2 SER 43 HB1 SER 43 -8.531 7.400 4.779 200 HB3 SER 43 HB2 SER 43 -7.321 6.221 4.244 201 HG SER 43 HG SER 43 -6.685 8.839 5.131 202 H ASP 44 H ASP 44 -5.344 6.669 2.959 203 HA ASP 44 HA ASP 44 -5.260 5.817 0.253 204 HB2 ASP 44 HB1 ASP 44 -3.248 4.678 0.817 205 HB3 ASP 44 HB2 ASP 44 -3.272 6.163 1.777 206 HD2 ASP 44 HD ASP 44 -3.538 2.701 3.668 207 H THR 45 H THR 45 -6.588 4.464 3.154 208 HA THR 45 HA THR 45 -6.672 1.755 2.507 209 HB THR 45 HB THR 45 -8.570 1.575 4.047 210 HG1 THR 45 HG1 THR 45 -9.675 3.332 4.714 211 HG21 THR 45 HG21 THR 45 -6.020 2.532 4.656 212 HG22 THR 45 HG22 THR 45 -7.161 1.773 5.766 213 HG23 THR 45 HG23 THR 45 -7.121 3.529 5.606 214 H ASP 46 H ASP 46 -8.497 4.417 1.258 215 HA ASP 46 HA ASP 46 -10.710 2.960 0.246 216 HB2 ASP 46 HB1 ASP 46 -10.035 5.628 0.450 217 HB3 ASP 46 HB2 ASP 46 -9.954 5.334 -1.292 218 HD2 ASP 46 HD ASP 46 -13.349 5.591 -1.470 219 H CYS 47 H CYS 47 -7.486 3.564 -0.921 220 HA CYS 47 HA CYS 47 -8.006 2.776 -3.626 221 HB2 CYS 47 HB1 CYS 47 -5.968 4.111 -2.362 222 HB3 CYS 47 HB2 CYS 47 -5.240 2.531 -2.663 223 H ASN 48 H ASN 48 -6.195 1.003 -4.394 224 HA ASN 48 HA ASN 48 -7.270 -1.471 -3.812 225 HB2 ASN 48 HB1 ASN 48 -4.757 -0.513 -5.075 226 HB3 ASN 48 HB2 ASN 48 -4.787 -2.204 -4.558 227 HD21 ASN 48 HD21 ASN 48 -6.606 0.171 -6.435 228 HD22 ASN 48 HD22 ASN 48 -7.238 -0.958 -7.580 229 H THR 49 H THR 49 -3.935 -0.675 -2.875 230 HA THR 49 HA THR 49 -4.199 -1.082 -0.127 231 HB THR 49 HB THR 49 -4.784 -3.357 -0.485 232 HG1 THR 49 HG1 THR 49 -1.981 -3.384 0.018 233 HG21 THR 49 HG21 THR 49 -4.013 -3.491 -2.837 234 HG22 THR 49 HG22 THR 49 -3.522 -4.886 -1.877 235 HG23 THR 49 HG23 THR 49 -2.353 -3.622 -2.258 236 H ARG 50 H ARG 50 -2.116 -1.665 -2.928 237 HA ARG 50 HA ARG 50 0.223 -0.853 -1.365 238 HB2 ARG 50 HB1 ARG 50 0.047 -1.973 -4.174 239 HB3 ARG 50 HB2 ARG 50 1.539 -1.653 -3.277 240 HG2 ARG 50 HG1 ARG 50 -0.386 -3.411 -1.905 241 HG3 ARG 50 HG2 ARG 50 0.323 -4.059 -3.394 242 HD2 ARG 50 HD1 ARG 50 2.555 -3.760 -2.558 243 HD3 ARG 50 HD2 ARG 50 1.948 -2.877 -1.150 244 HE ARG 50 HE ARG 50 2.059 -5.723 -1.480 245 HH11 ARG 50 HH11 ARG 50 0.416 -3.107 0.126 246 HH12 ARG 50 HH12 ARG 50 -0.115 -4.084 1.455 247 HH21 ARG 50 HH21 ARG 50 1.365 -7.019 0.263 248 HH22 ARG 50 HH22 ARG 50 0.426 -6.309 1.532 249 H LYS 51 H LYS 51 -1.769 1.091 -2.063 250 HA LYS 51 HA LYS 51 -0.049 2.974 -3.466 251 HB2 LYS 51 HB1 LYS 51 -2.906 2.439 -4.322 252 HB3 LYS 51 HB2 LYS 51 -1.866 3.730 -4.945 253 HG2 LYS 51 HG1 LYS 51 -0.359 2.130 -5.930 254 HG3 LYS 51 HG2 LYS 51 -1.266 0.791 -5.204 255 HD2 LYS 51 HD1 LYS 51 -3.286 1.601 -6.498 256 HD3 LYS 51 HD2 LYS 51 -2.181 2.686 -7.362 257 HE2 LYS 51 HE1 LYS 51 -1.780 1.013 -8.785 258 HE3 LYS 51 HE2 LYS 51 -0.935 0.199 -7.460 259 HZ1 LYS 51 HZ1 LYS 51 -2.813 -1.051 -6.926 260 HZ2 LYS 51 HZ2 LYS 51 -2.780 -1.073 -8.617 261 HZ3 LYS 51 HZ3 LYS 51 -3.860 -0.055 -7.807 262 H PHE 52 H PHE 52 -0.553 5.170 -3.050 263 HA PHE 52 HA PHE 52 -2.292 5.538 -0.703 264 HB2 PHE 52 HB1 PHE 52 -0.889 7.566 -0.245 265 HB3 PHE 52 HB2 PHE 52 -0.017 6.036 -0.135 266 HD1 PHE 52 HD1 PHE 52 -0.706 8.816 -2.506 267 HD2 PHE 52 HD2 PHE 52 1.957 5.722 -1.302 268 HE1 PHE 52 HE1 PHE 52 0.966 9.632 -4.117 269 HE2 PHE 52 HE2 PHE 52 3.633 6.533 -2.909 270 HZ PHE 52 HZ PHE 52 3.139 8.490 -4.319 271 H CYS 53 H CYS 53 -3.438 7.574 -0.529 272 HA CYS 53 HA CYS 53 -4.442 8.435 -3.131 273 HB2 CYS 53 HB1 CYS 53 -5.576 8.058 -0.529 274 HB3 CYS 53 HB2 CYS 53 -5.810 9.739 -1.009 275 H LEU 54 H LEU 54 -2.863 9.824 -3.883 276 HA LEU 54 HA LEU 54 -1.779 11.932 -2.285 277 HB2 LEU 54 HB1 LEU 54 -0.427 11.083 -4.046 278 HB3 LEU 54 HB2 LEU 54 -1.718 11.338 -5.231 279 HG LEU 54 HG LEU 54 -1.099 13.863 -4.111 280 HD11 LEU 54 HD11 LEU 54 1.048 12.603 -3.493 281 HD12 LEU 54 HD12 LEU 54 1.202 14.129 -4.364 282 HD13 LEU 54 HD13 LEU 54 1.380 12.600 -5.225 283 HD21 LEU 54 HD21 LEU 54 -0.790 14.482 -6.336 284 HD22 LEU 54 HD22 LEU 54 -1.911 13.124 -6.434 285 HD23 LEU 54 HD23 LEU 54 -0.201 12.885 -6.799 286 H GLN 55 H GLN 55 -2.589 13.888 -1.900 287 HA GLN 55 HA GLN 55 -4.834 14.814 -3.568 288 HB2 GLN 55 HB1 GLN 55 -5.515 16.129 -1.506 289 HB3 GLN 55 HB2 GLN 55 -5.714 14.371 -1.415 290 HG2 GLN 55 HG1 GLN 55 -4.391 14.226 0.354 291 HG3 GLN 55 HG2 GLN 55 -3.111 15.130 -0.467 292 HE21 GLN 55 HE21 GLN 55 -2.589 17.030 0.343 293 HE22 GLN 55 HE22 GLN 55 -3.560 17.982 1.407 294 HA PRO 56 HA PRO 56 -1.494 17.871 -4.267 295 HB2 PRO 56 HB1 PRO 56 -2.282 18.462 -6.823 296 HB3 PRO 56 HB2 PRO 56 -1.255 17.086 -6.414 297 HG2 PRO 56 HG1 PRO 56 -4.218 17.180 -6.875 298 HG3 PRO 56 HG2 PRO 56 -3.004 15.998 -7.494 299 HD2 PRO 56 HD1 PRO 56 -4.634 15.459 -5.392 300 HD3 PRO 56 HD2 PRO 56 -2.980 14.832 -5.506 301 H ARG 57 H ARG 57 -1.602 20.161 -4.652 302 HA ARG 57 HA ARG 57 -4.044 21.325 -3.635 303 HB2 ARG 57 HB1 ARG 57 -1.381 21.944 -3.368 304 HB3 ARG 57 HB2 ARG 57 -1.939 23.164 -4.521 305 HG2 ARG 57 HG1 ARG 57 -2.149 24.126 -2.371 306 HG3 ARG 57 HG2 ARG 57 -3.784 23.706 -2.908 307 HD2 ARG 57 HD1 ARG 57 -3.816 21.733 -1.537 308 HD3 ARG 57 HD2 ARG 57 -2.105 21.940 -1.137 309 HE ARG 57 HE ARG 57 -3.569 24.224 -0.345 310 HH11 ARG 57 HH11 ARG 57 -3.016 20.898 0.520 311 HH12 ARG 57 HH12 ARG 57 -3.354 21.142 2.200 312 HH21 ARG 57 HH21 ARG 57 -4.016 24.559 1.867 313 HH22 ARG 57 HH22 ARG 57 -3.924 23.225 2.967 314 H ASP 58 H ASP 58 -2.092 21.568 -6.591 315 HA ASP 58 HA ASP 58 -3.919 23.358 -7.878 316 HB2 ASP 58 HB1 ASP 58 -1.338 22.121 -8.472 317 HB3 ASP 58 HB2 ASP 58 -2.398 22.199 -9.886 318 HD2 ASP 58 HD ASP 58 -2.499 25.793 -9.495 319 H GLU 59 H GLU 59 -3.661 19.938 -7.535 320 HA GLU 59 HA GLU 59 -5.774 19.572 -9.556 321 HB2 GLU 59 HB1 GLU 59 -3.304 18.137 -9.059 322 HB3 GLU 59 HB2 GLU 59 -4.703 17.056 -8.978 323 HG2 GLU 59 HG1 GLU 59 -4.721 18.899 -11.264 324 HG3 GLU 59 HG2 GLU 59 -3.390 17.733 -11.254 325 HE2 GLU 59 HE GLU 59 -7.021 16.450 -12.028 326 H LYS 60 H LYS 60 -6.876 17.267 -8.990 327 HA LYS 60 HA LYS 60 -7.971 17.649 -6.296 328 HB2 LYS 60 HB1 LYS 60 -9.819 16.141 -7.157 329 HB3 LYS 60 HB2 LYS 60 -9.688 17.729 -7.928 330 HG2 LYS 60 HG1 LYS 60 -9.359 16.839 -9.938 331 HG3 LYS 60 HG2 LYS 60 -8.106 15.748 -9.317 332 HD2 LYS 60 HD1 LYS 60 -10.291 14.552 -8.286 333 HD3 LYS 60 HD2 LYS 60 -10.993 15.274 -9.744 334 HE2 LYS 60 HE1 LYS 60 -8.527 13.515 -9.703 335 HE3 LYS 60 HE2 LYS 60 -10.163 12.968 -10.101 336 HZ1 LYS 60 HZ1 LYS 60 -10.080 14.819 -11.857 337 HZ2 LYS 60 HZ2 LYS 60 -9.225 13.391 -12.156 338 HZ3 LYS 60 HZ3 LYS 60 -8.404 14.774 -11.630 339 HA PRO 61 HA PRO 61 -6.296 13.905 -4.733 340 HB2 PRO 61 HB1 PRO 61 -8.302 13.058 -3.070 341 HB3 PRO 61 HB2 PRO 61 -7.266 14.442 -2.721 342 HG2 PRO 61 HG1 PRO 61 -10.014 14.379 -3.922 343 HG3 PRO 61 HG2 PRO 61 -9.359 15.451 -2.630 344 HD2 PRO 61 HD1 PRO 61 -9.637 16.263 -5.205 345 HD3 PRO 61 HD2 PRO 61 -8.322 16.827 -4.160 346 H PHE 62 H PHE 62 -6.180 11.777 -5.248 347 HA PHE 62 HA PHE 62 -8.413 10.183 -5.970 348 HB2 PHE 62 HB1 PHE 62 -8.083 9.900 -8.309 349 HB3 PHE 62 HB2 PHE 62 -8.136 11.641 -8.018 350 HD1 PHE 62 HD1 PHE 62 -5.722 12.683 -7.458 351 HD2 PHE 62 HD2 PHE 62 -6.451 9.175 -9.757 352 HE1 PHE 62 HE1 PHE 62 -3.544 12.963 -8.570 353 HE2 PHE 62 HE2 PHE 62 -4.275 9.450 -10.871 354 HZ PHE 62 HZ PHE 62 -2.818 11.345 -10.278 355 H CYS 63 H CYS 63 -7.541 8.085 -7.137 356 HA CYS 63 HA CYS 63 -5.556 7.004 -5.390 357 HB2 CYS 63 HB1 CYS 63 -7.413 6.003 -7.440 358 HB3 CYS 63 HB2 CYS 63 -5.892 5.112 -7.350 359 H ALA 64 H ALA 64 -3.430 7.033 -5.647 360 HA ALA 64 HA ALA 64 -2.339 7.281 -8.373 361 HB1 ALA 64 HB1 ALA 64 -1.554 8.753 -5.880 362 HB2 ALA 64 HB2 ALA 64 -0.432 8.555 -7.227 363 HB3 ALA 64 HB3 ALA 64 -1.960 9.400 -7.470 364 H THR 65 H THR 65 -0.913 5.766 -8.928 365 HA THR 65 HA THR 65 -0.368 3.530 -7.378 366 HB THR 65 HB THR 65 -0.081 3.343 -9.730 367 HG1 THR 65 HG1 THR 65 2.227 2.685 -9.806 368 HG21 THR 65 HG21 THR 65 0.448 5.615 -10.317 369 HG22 THR 65 HG22 THR 65 1.735 4.574 -10.924 370 HG23 THR 65 HG23 THR 65 1.987 5.525 -9.461 371 H CYS 66 H CYS 66 1.710 2.753 -6.558 372 HA CYS 66 HA CYS 66 2.817 4.419 -4.634 373 HB2 CYS 66 HB1 CYS 66 3.182 1.735 -5.549 374 HB3 CYS 66 HB2 CYS 66 4.772 2.476 -5.352 375 H ARG 67 H ARG 67 5.316 4.767 -4.517 376 HA ARG 67 HA ARG 67 6.025 6.331 -6.891 377 HB2 ARG 67 HB1 ARG 67 7.166 6.369 -4.086 378 HB3 ARG 67 HB2 ARG 67 7.670 7.432 -5.409 379 HG2 ARG 67 HG1 ARG 67 4.781 7.446 -4.854 380 HG3 ARG 67 HG2 ARG 67 5.809 8.068 -3.551 381 HD2 ARG 67 HD1 ARG 67 6.964 9.479 -5.350 382 HD3 ARG 67 HD2 ARG 67 5.595 9.044 -6.384 383 HE ARG 67 HE ARG 67 4.453 10.010 -4.093 384 HH11 ARG 67 HH11 ARG 67 6.725 11.222 -6.436 385 HH12 ARG 67 HH12 ARG 67 6.254 12.876 -6.231 386 HH21 ARG 67 HH21 ARG 67 3.823 12.185 -3.816 387 HH22 ARG 67 HH22 ARG 67 4.603 13.423 -4.740 388 H GLY 68 H GLY 68 7.228 5.274 -8.330 389 HA2 GLY 68 HA2 GLY 68 8.786 2.983 -7.731 390 HA3 GLY 68 HA3 GLY 68 8.828 3.895 -9.234 391 HA1 GLY 68 HA1 GLY 68 8.861 3.623 -7.126 392 H LEU 69 H LEU 69 11.163 2.956 -8.611 393 HA LEU 69 HA LEU 69 12.751 4.312 -6.756 394 HB2 LEU 69 HB1 LEU 69 13.498 3.055 -9.402 395 HB3 LEU 69 HB2 LEU 69 14.661 3.592 -8.177 396 HG LEU 69 HG LEU 69 12.668 1.344 -7.925 397 HD11 LEU 69 HD11 LEU 69 14.854 1.073 -9.239 398 HD12 LEU 69 HD12 LEU 69 14.490 -0.106 -7.978 399 HD13 LEU 69 HD13 LEU 69 15.649 1.186 -7.669 400 HD21 LEU 69 HD21 LEU 69 13.867 0.985 -5.716 401 HD22 LEU 69 HD22 LEU 69 12.727 2.329 -5.787 402 HD23 LEU 69 HD23 LEU 69 14.460 2.636 -5.889 403 H ARG 70 H ARG 70 11.547 5.294 -9.839 404 HA ARG 70 HA ARG 70 13.443 7.486 -10.085 405 HB2 ARG 70 HB1 ARG 70 11.020 6.938 -11.807 406 HB3 ARG 70 HB2 ARG 70 12.431 7.928 -12.207 407 HG2 ARG 70 HG1 ARG 70 13.066 6.098 -13.348 408 HG3 ARG 70 HG2 ARG 70 13.643 5.574 -11.756 409 HD2 ARG 70 HD1 ARG 70 11.991 4.026 -11.498 410 HD3 ARG 70 HD2 ARG 70 10.812 4.998 -12.390 411 HE ARG 70 HE ARG 70 12.499 2.957 -13.453 412 HH11 ARG 70 HH11 ARG 70 10.902 5.956 -14.214 413 HH12 ARG 70 HH12 ARG 70 10.806 5.624 -15.913 414 HH21 ARG 70 HH21 ARG 70 12.379 2.509 -15.685 415 HH22 ARG 70 HH22 ARG 70 11.646 3.663 -16.749 416 H ARG 71 H ARG 71 10.289 6.883 -8.848 417 HA ARG 71 HA ARG 71 9.271 9.534 -9.020 418 HB2 ARG 71 HB1 ARG 71 8.533 7.114 -7.384 419 HB3 ARG 71 HB2 ARG 71 7.712 8.666 -7.164 420 HG2 ARG 71 HG1 ARG 71 7.854 7.113 -9.750 421 HG3 ARG 71 HG2 ARG 71 6.469 7.175 -8.648 422 HD2 ARG 71 HD1 ARG 71 6.576 9.730 -8.954 423 HD3 ARG 71 HD2 ARG 71 7.615 9.371 -10.340 424 HE ARG 71 HE ARG 71 5.303 7.820 -10.574 425 HH11 ARG 71 HH11 ARG 71 6.259 11.167 -10.648 426 HH12 ARG 71 HH12 ARG 71 4.980 11.644 -11.714 427 HH21 ARG 71 HH21 ARG 71 3.615 8.436 -11.978 428 HH22 ARG 71 HH22 ARG 71 3.476 10.089 -12.469 429 H ARG 72 H ARG 72 9.411 11.222 -7.634 430 HA ARG 72 HA ARG 72 11.529 11.195 -5.702 431 HB2 ARG 72 HB1 ARG 72 9.487 13.381 -6.124 432 HB3 ARG 72 HB2 ARG 72 11.117 13.533 -5.452 433 HG2 ARG 72 HG1 ARG 72 10.510 12.750 -8.304 434 HG3 ARG 72 HG2 ARG 72 10.919 14.387 -7.762 435 HD2 ARG 72 HD1 ARG 72 12.998 13.116 -6.689 436 HD3 ARG 72 HD2 ARG 72 12.639 11.975 -7.992 437 HE ARG 72 HE ARG 72 12.686 14.508 -9.126 438 HH11 ARG 72 HH11 ARG 72 14.882 12.352 -7.499 439 HH12 ARG 72 HH12 ARG 72 16.283 12.946 -8.325 440 HH21 ARG 72 HH21 ARG 72 14.524 15.299 -10.221 441 HH22 ARG 72 HH22 ARG 72 16.079 14.622 -9.873 442 H CYS 73 H CYS 73 11.362 11.575 -3.466 443 HA CYS 73 HA CYS 73 8.763 11.535 -2.195 444 HB2 CYS 73 HB1 CYS 73 9.025 9.504 -0.983 445 HB3 CYS 73 HB2 CYS 73 9.318 9.123 -2.681 446 H GLN 74 H GLN 74 9.131 11.353 0.303 447 HA GLN 74 HA GLN 74 11.603 12.758 1.044 448 HB2 GLN 74 HB1 GLN 74 9.627 14.323 0.737 449 HB3 GLN 74 HB2 GLN 74 8.896 13.519 2.135 450 HG2 GLN 74 HG1 GLN 74 9.896 15.106 3.341 451 HG3 GLN 74 HG2 GLN 74 11.358 14.138 3.103 452 HE21 GLN 74 HE21 GLN 74 12.746 14.693 1.303 453 HE22 GLN 74 HE22 GLN 74 12.837 16.336 0.779 454 H ARG 75 H ARG 75 8.786 10.915 2.119 455 HA ARG 75 HA ARG 75 10.359 10.004 4.439 456 HB2 ARG 75 HB1 ARG 75 7.345 10.118 4.174 457 HB3 ARG 75 HB2 ARG 75 8.258 9.624 5.611 458 HG2 ARG 75 HG1 ARG 75 8.555 11.724 6.293 459 HG3 ARG 75 HG2 ARG 75 9.007 12.269 4.668 460 HD2 ARG 75 HD1 ARG 75 6.602 12.288 4.039 461 HD3 ARG 75 HD2 ARG 75 6.206 11.860 5.710 462 HE ARG 75 HE ARG 75 6.958 14.444 4.724 463 HH11 ARG 75 HH11 ARG 75 6.928 12.367 7.517 464 HH12 ARG 75 HH12 ARG 75 6.959 13.676 8.653 465 HH21 ARG 75 HH21 ARG 75 6.998 16.176 6.209 466 HH22 ARG 75 HH22 ARG 75 6.998 15.842 7.907 467 H ASP 76 H ASP 76 10.667 7.864 4.718 468 HA ASP 76 HA ASP 76 10.409 6.078 2.611 469 HB2 ASP 76 HB1 ASP 76 11.978 5.647 4.384 470 HB3 ASP 76 HB2 ASP 76 10.675 5.557 5.576 471 HD2 ASP 76 HD ASP 76 9.770 2.337 4.518 472 H ALA 77 H ALA 77 8.165 6.862 5.175 473 HA ALA 77 HA ALA 77 6.428 4.660 4.896 474 HB1 ALA 77 HB1 ALA 77 6.400 7.241 6.253 475 HB2 ALA 77 HB2 ALA 77 4.803 6.710 5.721 476 HB3 ALA 77 HB3 ALA 77 5.771 5.677 6.773 477 H MET 78 H MET 78 6.875 7.529 3.011 478 HA MET 78 HA MET 78 4.317 7.424 1.709 479 HB2 MET 78 HB1 MET 78 6.862 8.942 1.109 480 HB3 MET 78 HB2 MET 78 5.383 9.098 0.149 481 HG2 MET 78 HG1 MET 78 4.178 9.806 2.216 482 HG3 MET 78 HG2 MET 78 5.734 9.800 3.052 483 HE1 MET 78 HE1 MET 78 3.890 10.921 -0.009 484 HE2 MET 78 HE2 MET 78 4.364 12.598 -0.276 485 HE3 MET 78 HE3 MET 78 5.408 11.289 -0.829 486 H CYS 79 H CYS 79 7.451 6.029 1.213 487 HA CYS 79 HA CYS 79 6.796 5.196 -1.505 488 HB2 CYS 79 HB1 CYS 79 9.244 5.443 0.110 489 HB3 CYS 79 HB2 CYS 79 9.195 4.007 -0.913 490 H CYS 80 H CYS 80 6.596 3.054 -2.146 491 HA CYS 80 HA CYS 80 5.217 1.319 -0.501 492 HB2 CYS 80 HB1 CYS 80 6.521 1.171 -3.125 493 HB3 CYS 80 HB2 CYS 80 6.442 -0.383 -2.294 494 HA PRO 81 HA PRO 81 8.082 -0.778 2.073 495 HB2 PRO 81 HB1 PRO 81 7.142 -3.350 2.040 496 HB3 PRO 81 HB2 PRO 81 6.321 -2.024 2.862 497 HG2 PRO 81 HG1 PRO 81 5.806 -3.187 0.145 498 HG3 PRO 81 HG2 PRO 81 4.629 -2.746 1.439 499 HD2 PRO 81 HD1 PRO 81 5.089 -1.169 -0.724 500 HD3 PRO 81 HD2 PRO 81 4.696 -0.512 0.874 501 H GLY 82 H GLY 82 10.094 -1.560 1.853 502 HA2 GLY 82 HA2 GLY 82 11.530 -3.366 1.025 503 HA3 GLY 82 HA3 GLY 82 10.673 -3.243 -0.506 504 HA1 GLY 82 HA1 GLY 82 11.527 -2.531 1.306 505 H THR 83 H THR 83 10.792 -0.183 0.050 506 HA THR 83 HA THR 83 13.525 0.162 -1.001 507 HB THR 83 HB THR 83 12.528 2.320 -2.009 508 HG1 THR 83 HG1 THR 83 10.151 0.797 -1.584 509 HG21 THR 83 HG21 THR 83 11.370 0.768 -3.850 510 HG22 THR 83 HG22 THR 83 12.221 -0.481 -2.941 511 HG23 THR 83 HG23 THR 83 13.120 0.857 -3.654 512 H LEU 84 H LEU 84 14.245 2.554 -0.737 513 HA LEU 84 HA LEU 84 13.431 3.589 1.887 514 HB2 LEU 84 HB1 LEU 84 15.629 2.143 1.768 515 HB3 LEU 84 HB2 LEU 84 16.311 3.644 1.122 516 HG LEU 84 HG LEU 84 15.081 4.559 3.366 517 HD11 LEU 84 HD11 LEU 84 15.803 2.958 5.164 518 HD12 LEU 84 HD12 LEU 84 15.994 1.742 3.902 519 HD13 LEU 84 HD13 LEU 84 14.408 2.448 4.212 520 HD21 LEU 84 HD21 LEU 84 17.875 3.431 3.278 521 HD22 LEU 84 HD22 LEU 84 17.281 4.740 4.299 522 HD23 LEU 84 HD23 LEU 84 17.399 4.966 2.554 523 H CYS 85 H CYS 85 13.224 5.750 1.982 524 HA CYS 85 HA CYS 85 13.434 7.265 -0.438 525 HB2 CYS 85 HB1 CYS 85 12.474 7.756 2.340 526 HB3 CYS 85 HB2 CYS 85 12.911 9.164 1.372 527 H VAL 86 H VAL 86 15.429 7.735 -1.147 528 HA VAL 86 HA VAL 86 17.239 9.116 0.722 529 HB VAL 86 HB VAL 86 18.077 7.198 -1.457 530 HG11 VAL 86 HG11 VAL 86 19.564 9.091 0.294 531 HG12 VAL 86 HG12 VAL 86 20.313 7.546 -0.114 532 HG13 VAL 86 HG13 VAL 86 19.837 8.662 -1.394 533 HG21 VAL 86 HG21 VAL 86 19.081 6.189 0.843 534 HG22 VAL 86 HG22 VAL 86 17.564 6.876 1.422 535 HG23 VAL 86 HG23 VAL 86 17.553 5.681 0.124 536 H ASN 87 H ASN 87 18.332 10.882 -0.063 537 HA ASN 87 HA ASN 87 18.698 12.720 -1.352 538 HB2 ASN 87 HB1 ASN 87 18.401 10.714 -3.606 539 HB3 ASN 87 HB2 ASN 87 19.082 12.337 -3.766 540 HD21 ASN 87 HD21 ASN 87 20.340 9.794 -4.313 541 HD22 ASN 87 HD22 ASN 87 21.739 9.711 -3.303 542 H ASP 88 H ASP 88 15.983 12.091 -0.565 543 HA ASP 88 HA ASP 88 13.882 12.910 -0.868 544 HB2 ASP 88 HB1 ASP 88 14.871 14.577 -3.172 545 HB3 ASP 88 HB2 ASP 88 13.612 14.952 -1.987 546 HD2 ASP 88 HD ASP 88 17.304 15.951 -1.171 547 H VAL 89 H VAL 89 14.967 10.629 -2.461 548 HA VAL 89 HA VAL 89 12.721 10.433 -4.304 549 HB VAL 89 HB VAL 89 14.565 11.312 -5.688 550 HG11 VAL 89 HG11 VAL 89 15.975 8.809 -4.780 551 HG12 VAL 89 HG12 VAL 89 16.487 9.777 -6.163 552 HG13 VAL 89 HG13 VAL 89 16.487 10.480 -4.545 553 HG21 VAL 89 HG21 VAL 89 14.416 9.658 -7.460 554 HG22 VAL 89 HG22 VAL 89 13.881 8.438 -6.303 555 HG23 VAL 89 HG23 VAL 89 12.856 9.830 -6.654 556 H CYS 90 H CYS 90 12.120 8.303 -4.797 557 HA CYS 90 HA CYS 90 12.579 6.401 -2.784 558 HB2 CYS 90 HB1 CYS 90 10.779 6.704 -4.851 559 HB3 CYS 90 HB2 CYS 90 11.710 5.291 -5.355 560 H THR 91 H THR 91 14.385 5.312 -2.417 561 HA THR 91 HA THR 91 15.917 4.310 -4.726 562 HB THR 91 HB THR 91 17.123 5.248 -2.117 563 HG1 THR 91 HG1 THR 91 16.476 7.058 -3.252 564 HG21 THR 91 HG21 THR 91 18.324 3.432 -3.357 565 HG22 THR 91 HG22 THR 91 19.247 4.924 -3.179 566 HG23 THR 91 HG23 THR 91 18.477 4.542 -4.718 567 H THR 92 H THR 92 15.987 2.170 -4.770 568 HA THR 92 HA THR 92 14.924 0.462 -2.884 569 HB THR 92 HB THR 92 17.055 -0.931 -4.171 570 HG1 THR 92 HG1 THR 92 16.773 -0.289 -6.293 571 HG21 THR 92 HG21 THR 92 15.156 -1.967 -5.416 572 HG22 THR 92 HG22 THR 92 14.083 -0.775 -4.680 573 HG23 THR 92 HG23 THR 92 14.931 -1.942 -3.667 574 H MET 93 H MET 93 15.731 -0.783 -1.215 575 HA MET 93 HA MET 93 17.690 0.315 0.423 576 HB2 MET 93 HB1 MET 93 15.807 -1.496 0.844 577 HB3 MET 93 HB2 MET 93 17.148 -2.617 0.563 578 HG2 MET 93 HG1 MET 93 18.135 -0.681 2.344 579 HG3 MET 93 HG2 MET 93 16.514 -1.098 2.907 580 HE1 MET 93 HE1 MET 93 17.205 -2.056 5.092 581 HE2 MET 93 HE2 MET 93 18.360 -3.362 5.351 582 HE3 MET 93 HE3 MET 93 18.929 -1.765 4.862 583 H GLU 94 H GLU 94 17.919 -2.555 -1.676 584 HA GLU 94 HA GLU 94 20.565 -3.213 -1.169 585 HB2 GLU 94 HB1 GLU 94 18.879 -3.531 -3.652 586 HB3 GLU 94 HB2 GLU 94 20.516 -4.191 -3.518 587 HG2 GLU 94 HG1 GLU 94 19.769 -5.457 -1.496 588 HG3 GLU 94 HG2 GLU 94 18.121 -4.917 -1.852 589 HE2 GLU 94 HE GLU 94 18.717 -8.152 -3.444 590 H ASP 95 H ASP 95 19.221 -0.787 -3.321 591 HA ASP 95 HA ASP 95 21.713 -0.174 -4.594 592 HB2 ASP 95 HB1 ASP 95 18.955 0.558 -4.901 593 HB3 ASP 95 HB2 ASP 95 19.938 2.027 -4.814 594 HD2 ASP 95 HD ASP 95 20.881 -0.428 -7.793 595 H ALA 96 H ALA 96 20.003 0.937 -1.770 596 HA ALA 96 HA ALA 96 21.756 3.228 -1.416 597 HB1 ALA 96 HB1 ALA 96 20.414 3.651 0.608 598 HB2 ALA 96 HB2 ALA 96 19.423 3.506 -0.845 599 HB3 ALA 96 HB3 ALA 96 19.515 2.166 0.298 600 H THR 97 H THR 97 23.684 1.808 -1.328 601 HA THR 97 HA THR 97 24.623 1.524 1.301 602 HB THR 97 HB THR 97 24.923 -1.165 0.687 603 HG1 THR 97 HG1 THR 97 23.209 -1.764 -0.384 604 HG21 THR 97 HG21 THR 97 22.652 -0.430 2.435 605 HG22 THR 97 HG22 THR 97 24.212 0.290 2.834 606 HG23 THR 97 HG23 THR 97 24.043 -1.464 2.758 607 H GLU 98 H GLU 98 26.753 1.787 1.173 608 HA GLU 98 HA GLU 98 28.078 1.290 -1.385 609 HB2 GLU 98 HB1 GLU 98 28.516 3.097 0.915 610 HB3 GLU 98 HB2 GLU 98 29.981 2.464 0.148 611 HG2 GLU 98 HG1 GLU 98 29.408 3.402 -1.956 612 HG3 GLU 98 HG2 GLU 98 27.780 3.804 -1.394 613 HE2 GLU 98 HE GLU 98 29.425 6.900 -1.072 614 H ASN 99 H ASN 99 29.829 -0.050 -1.633 615 HA ASN 99 HA ASN 99 31.279 -1.253 0.450 616 HB2 ASN 99 HB1 ASN 99 30.362 -3.634 0.014 617 HB3 ASN 99 HB2 ASN 99 29.449 -2.564 1.086 618 HD21 ASN 99 HD21 ASN 99 27.437 -1.892 0.521 619 HD22 ASN 99 HD22 ASN 99 26.602 -2.446 -0.886 620 H LEU 100 H LEU 100 33.157 -1.346 -0.587 621 HA LEU 100 HA LEU 100 33.433 -1.624 -3.383 622 HB2 LEU 100 HB1 LEU 100 35.290 -1.662 -1.043 623 HB3 LEU 100 HB2 LEU 100 35.883 -2.213 -2.620 624 HG LEU 100 HG LEU 100 36.442 0.139 -2.154 625 HD11 LEU 100 HD11 LEU 100 35.813 -0.898 -4.484 626 HD12 LEU 100 HD12 LEU 100 36.119 0.830 -4.311 627 HD13 LEU 100 HD13 LEU 100 34.462 0.230 -4.374 628 HD21 LEU 100 HD21 LEU 100 34.427 0.659 -0.820 629 HD22 LEU 100 HD22 LEU 100 33.467 0.614 -2.300 630 HD23 LEU 100 HD23 LEU 100 34.727 1.834 -2.101 631 H TYR 101 H TYR 101 35.129 -3.388 -4.170 632 HA TYR 101 HA TYR 101 34.570 -6.011 -3.044 633 HB2 TYR 101 HB1 TYR 101 33.508 -5.027 -5.651 634 HB3 TYR 101 HB2 TYR 101 34.098 -6.690 -5.583 635 HD1 TYR 101 HD1 TYR 101 31.253 -4.727 -5.218 636 HD2 TYR 101 HD2 TYR 101 33.232 -8.038 -3.423 637 HE1 TYR 101 HE1 TYR 101 29.120 -5.463 -4.239 638 HE2 TYR 101 HE2 TYR 101 31.104 -8.784 -2.440 639 HH TYR 101 HH TYR 101 28.890 -7.662 -1.778 640 H PHE 102 H PHE 102 35.989 -7.656 -3.798 641 HA PHE 102 HA PHE 102 38.130 -6.930 -5.611 642 HB2 PHE 102 HB1 PHE 102 39.937 -7.278 -4.065 643 HB3 PHE 102 HB2 PHE 102 38.856 -6.059 -3.385 644 HD1 PHE 102 HD1 PHE 102 40.153 -9.442 -3.017 645 HD2 PHE 102 HD2 PHE 102 37.451 -6.546 -1.458 646 HE1 PHE 102 HE1 PHE 102 39.942 -10.757 -0.948 647 HE2 PHE 102 HE2 PHE 102 37.237 -7.855 0.613 648 HZ PHE 102 HZ PHE 102 38.483 -9.964 0.870 649 H GLN 103 H GLN 103 39.220 -8.700 -6.458 650 HA GLN 103 HA GLN 103 38.012 -11.302 -5.815 651 HB2 GLN 103 HB1 GLN 103 38.677 -12.008 -8.063 652 HB3 GLN 103 HB2 GLN 103 37.659 -10.560 -8.117 653 HG2 GLN 103 HG1 GLN 103 39.708 -9.176 -8.356 654 HG3 GLN 103 HG2 GLN 103 40.647 -10.673 -8.449 655 HE21 GLN 103 HE21 GLN 103 38.265 -8.690 -10.049 656 HE22 GLN 103 HE22 GLN 103 38.440 -9.397 -11.615 657 H SER 104 H SER 104 39.733 -13.076 -6.800 658 HA SER 104 HA SER 104 42.285 -12.539 -5.429 659 HB2 SER 104 HB1 SER 104 40.294 -14.510 -4.794 660 HB3 SER 104 HB2 SER 104 41.768 -15.328 -5.341 661 HG SER 104 HG SER 104 42.407 -14.968 -3.368 662 H LEU 105 H LEU 105 44.120 -13.688 -6.227 663 HA LEU 105 HA LEU 105 43.880 -14.315 -9.080 664 HB2 LEU 105 HB1 LEU 105 45.767 -12.874 -7.518 665 HB3 LEU 105 HB2 LEU 105 46.586 -14.294 -8.191 666 HG LEU 105 HG LEU 105 46.824 -12.252 -9.576 667 HD11 LEU 105 HD11 LEU 105 47.216 -13.960 -10.981 668 HD12 LEU 105 HD12 LEU 105 45.652 -13.516 -11.663 669 HD13 LEU 105 HD13 LEU 105 45.763 -14.832 -10.494 670 HD21 LEU 105 HD21 LEU 105 43.986 -12.557 -10.439 671 HD22 LEU 105 HD22 LEU 105 45.058 -11.162 -10.563 672 HD23 LEU 105 HD23 LEU 105 44.355 -11.598 -9.004 673 H GLU 106 H GLU 106 45.197 -15.603 -6.058 674 HA GLU 106 HA GLU 106 45.730 -17.716 -5.406 675 HB2 GLU 106 HB1 GLU 106 43.579 -18.012 -7.325 676 HB3 GLU 106 HB2 GLU 106 44.672 -19.405 -7.368 677 HG2 GLU 106 HG1 GLU 106 44.384 -19.751 -4.978 678 HG3 GLU 106 HG2 GLU 106 43.333 -18.330 -4.898 679 HE2 GLU 106 HE GLU 106 41.117 -21.123 -5.190 680 H HIS 107 H HIS 107 46.641 -19.921 -6.420 681 HA HIS 107 HA HIS 107 48.548 -19.230 -8.547 682 HB2 HIS 107 HB1 HIS 107 50.357 -20.322 -7.360 683 HB3 HIS 107 HB2 HIS 107 49.670 -19.049 -6.345 684 HD1 HIS 107 HD1 HIS 107 48.053 -19.874 -4.377 685 HD2 HIS 107 HD2 HIS 107 50.339 -22.819 -6.212 686 HE1 HIS 107 HE1 HIS 107 47.997 -21.841 -2.812 687 HE2 HIS 107 HE2 HIS 107 49.393 -23.641 -3.932 688 H HIS 108 H HIS 108 49.569 -21.165 -9.534 689 HA HIS 108 HA HIS 108 47.659 -23.407 -9.589 690 HB2 HIS 108 HB1 HIS 108 49.411 -22.211 -11.733 691 HB3 HIS 108 HB2 HIS 108 48.699 -23.818 -11.900 692 HD1 HIS 108 HD1 HIS 108 47.726 -20.193 -11.741 693 HD2 HIS 108 HD2 HIS 108 45.998 -23.888 -12.521 694 HE1 HIS 108 HE1 HIS 108 45.446 -19.685 -12.673 695 HE2 HIS 108 HE2 HIS 108 44.389 -21.945 -13.151 696 H HIS 109 H HIS 109 48.456 -25.533 -9.724 697 HA HIS 109 HA HIS 109 51.121 -25.845 -8.556 698 HB2 HIS 109 HB1 HIS 109 48.690 -27.617 -8.708 699 HB3 HIS 109 HB2 HIS 109 50.271 -28.274 -8.277 700 HD1 HIS 109 HD1 HIS 109 51.455 -26.832 -6.184 701 HD2 HIS 109 HD2 HIS 109 47.314 -26.817 -6.515 702 HE1 HIS 109 HE1 HIS 109 50.603 -26.161 -3.916 703 HE2 HIS 109 HE2 HIS 109 48.071 -26.150 -4.117 704 H HIS 110 H HIS 110 49.175 -27.736 -10.874 705 HA HIS 110 HA HIS 110 51.144 -27.599 -12.926 706 HB2 HIS 110 HB1 HIS 110 51.906 -29.891 -12.930 707 HB3 HIS 110 HB2 HIS 110 52.269 -29.168 -11.361 708 HD1 HIS 110 HD1 HIS 110 51.531 -32.291 -12.331 709 HD2 HIS 110 HD2 HIS 110 49.466 -29.717 -9.807 710 HE1 HIS 110 HE1 HIS 110 50.100 -33.770 -10.886 711 HE2 HIS 110 HE2 HIS 110 48.837 -32.197 -9.342 712 H HIS 111 H HIS 111 50.629 -29.592 -14.542 713 HA HIS 111 HA HIS 111 47.707 -29.884 -14.682 714 HB2 HIS 111 HB1 HIS 111 49.585 -28.827 -16.777 715 HB3 HIS 111 HB2 HIS 111 48.098 -29.651 -17.254 716 HD1 HIS 111 HD1 HIS 111 45.822 -28.522 -16.488 717 HD2 HIS 111 HD2 HIS 111 49.236 -26.218 -15.941 718 HE1 HIS 111 HE1 HIS 111 44.998 -26.175 -16.116 719 HE2 HIS 111 HE2 HIS 111 47.083 -24.765 -15.784 720 H HIS 112 H HIS 112 50.712 -30.915 -16.309 721 HA HIS 112 HA HIS 112 49.560 -33.601 -16.592 722 HB2 HIS 112 HB1 HIS 112 50.742 -32.083 -18.480 723 HB3 HIS 112 HB2 HIS 112 52.158 -32.943 -17.867 724 HD1 HIS 112 HD1 HIS 112 48.938 -33.528 -19.687 725 HD2 HIS 112 HD2 HIS 112 52.291 -35.661 -18.477 726 HE1 HIS 112 HE1 HIS 112 48.796 -35.737 -20.881 727 HE2 HIS 112 HE2 HIS 112 50.846 -37.040 -20.144 Start of MODEL 26 1 H1 MET 18 H MET 18 -77.040 14.740 -11.147 2 HA MET 18 HA MET 18 -78.452 16.084 -9.377 3 HB2 MET 18 HB1 MET 18 -79.095 13.171 -8.858 4 HB3 MET 18 HB2 MET 18 -79.533 14.527 -7.809 5 HG2 MET 18 HG1 MET 18 -80.662 15.399 -10.065 6 HG3 MET 18 HG2 MET 18 -80.714 13.662 -10.377 7 HE1 MET 18 HE1 MET 18 -83.467 15.406 -10.146 8 HE2 MET 18 HE2 MET 18 -83.952 15.778 -8.492 9 HE3 MET 18 HE3 MET 18 -82.508 16.525 -9.176 10 H LEU 19 H LEU 19 -76.387 13.288 -9.706 11 HA LEU 19 HA LEU 19 -74.863 14.182 -7.348 12 HB2 LEU 19 HB1 LEU 19 -75.771 11.551 -8.207 13 HB3 LEU 19 HB2 LEU 19 -74.024 11.606 -7.911 14 HG LEU 19 HG LEU 19 -76.050 12.527 -5.882 15 HD11 LEU 19 HD11 LEU 19 -76.263 10.083 -6.610 16 HD12 LEU 19 HD12 LEU 19 -76.063 10.414 -4.890 17 HD13 LEU 19 HD13 LEU 19 -74.691 9.853 -5.845 18 HD21 LEU 19 HD21 LEU 19 -73.698 13.320 -5.690 19 HD22 LEU 19 HD22 LEU 19 -73.187 11.637 -5.564 20 HD23 LEU 19 HD23 LEU 19 -74.235 12.336 -4.329 21 H VAL 20 H VAL 20 -73.498 15.588 -8.420 22 HA VAL 20 HA VAL 20 -72.157 14.996 -10.836 23 HB VAL 20 HB VAL 20 -70.729 16.907 -10.338 24 HG11 VAL 20 HG11 VAL 20 -73.019 17.275 -11.182 25 HG12 VAL 20 HG12 VAL 20 -73.580 17.455 -9.519 26 HG13 VAL 20 HG13 VAL 20 -72.435 18.614 -10.195 27 HG21 VAL 20 HG21 VAL 20 -70.142 16.896 -8.129 28 HG22 VAL 20 HG22 VAL 20 -71.412 18.120 -8.095 29 HG23 VAL 20 HG23 VAL 20 -71.765 16.469 -7.584 30 H LEU 21 H LEU 21 -70.135 14.194 -11.253 31 HA LEU 21 HA LEU 21 -69.078 12.250 -9.554 32 HB2 LEU 21 HB1 LEU 21 -68.053 13.686 -11.976 33 HB3 LEU 21 HB2 LEU 21 -66.985 12.600 -11.071 34 HG LEU 21 HG LEU 21 -69.633 11.730 -12.215 35 HD11 LEU 21 HD11 LEU 21 -66.879 11.502 -13.422 36 HD12 LEU 21 HD12 LEU 21 -68.219 12.467 -14.042 37 HD13 LEU 21 HD13 LEU 21 -68.332 10.707 -14.028 38 HD21 LEU 21 HD21 LEU 21 -67.873 10.546 -10.390 39 HD22 LEU 21 HD22 LEU 21 -67.597 9.720 -11.923 40 HD23 LEU 21 HD23 LEU 21 -69.220 9.781 -11.235 41 H ASP 22 H ASP 22 -67.633 12.270 -7.939 42 HA ASP 22 HA ASP 22 -66.835 14.762 -6.798 43 HB2 ASP 22 HB1 ASP 22 -65.763 13.422 -5.070 44 HB3 ASP 22 HB2 ASP 22 -67.374 12.781 -5.423 45 HD2 ASP 22 HD ASP 22 -66.094 9.810 -6.662 46 H PHE 23 H PHE 23 -65.117 15.935 -7.302 47 HA PHE 23 HA PHE 23 -63.057 14.825 -9.014 48 HB2 PHE 23 HB1 PHE 23 -64.236 17.310 -8.829 49 HB3 PHE 23 HB2 PHE 23 -62.674 17.568 -8.050 50 HD1 PHE 23 HD1 PHE 23 -60.611 17.448 -9.276 51 HD2 PHE 23 HD2 PHE 23 -64.338 16.700 -11.191 52 HE1 PHE 23 HE1 PHE 23 -59.517 17.641 -11.471 53 HE2 PHE 23 HE2 PHE 23 -63.250 16.892 -13.391 54 HZ PHE 23 HZ PHE 23 -60.836 17.362 -13.532 55 H ASN 24 H ASN 24 -60.802 14.955 -8.545 56 HA ASN 24 HA ASN 24 -60.168 15.112 -5.675 57 HB2 ASN 24 HB1 ASN 24 -60.247 12.762 -7.000 58 HB3 ASN 24 HB2 ASN 24 -58.579 13.242 -7.340 59 HD21 ASN 24 HD21 ASN 24 -60.607 11.757 -5.149 60 HD22 ASN 24 HD22 ASN 24 -59.541 11.712 -3.789 61 H ASN 25 H ASN 25 -57.620 15.083 -5.463 62 HA ASN 25 HA ASN 25 -56.606 17.110 -7.345 63 HB2 ASN 25 HB1 ASN 25 -55.061 17.727 -5.401 64 HB3 ASN 25 HB2 ASN 25 -56.768 18.155 -5.235 65 HD21 ASN 25 HD21 ASN 25 -57.571 17.772 -3.315 66 HD22 ASN 25 HD22 ASN 25 -57.098 16.505 -2.240 67 H ILE 26 H ILE 26 -54.486 16.958 -8.085 68 HA ILE 26 HA ILE 26 -53.296 14.285 -7.807 69 HB ILE 26 HB ILE 26 -52.834 16.359 -9.954 70 HG12 ILE 26 HG11 ILE 26 -53.898 14.027 -11.070 71 HG13 ILE 26 HG12 ILE 26 -54.849 14.299 -9.601 72 HG21 ILE 26 HG21 ILE 26 -51.680 14.482 -11.121 73 HG22 ILE 26 HG22 ILE 26 -50.856 15.044 -9.668 74 HG23 ILE 26 HG23 ILE 26 -51.794 13.551 -9.627 75 HD11 ILE 26 HD11 ILE 26 -55.412 15.416 -11.983 76 HD12 ILE 26 HD12 ILE 26 -55.869 16.115 -10.430 77 HD13 ILE 26 HD13 ILE 26 -54.420 16.682 -11.261 78 H ARG 27 H ARG 27 -51.869 14.330 -6.171 79 HA ARG 27 HA ARG 27 -50.286 16.631 -5.544 80 HB2 ARG 27 HB1 ARG 27 -49.357 15.337 -3.779 81 HB3 ARG 27 HB2 ARG 27 -51.067 14.888 -3.892 82 HG2 ARG 27 HG1 ARG 27 -49.957 13.035 -5.533 83 HG3 ARG 27 HG2 ARG 27 -48.660 13.275 -4.349 84 HD2 ARG 27 HD1 ARG 27 -49.746 11.980 -2.901 85 HD3 ARG 27 HD2 ARG 27 -51.082 13.140 -2.903 86 HE ARG 27 HE ARG 27 -51.457 11.614 -5.153 87 HH11 ARG 27 HH11 ARG 27 -51.192 11.017 -1.733 88 HH12 ARG 27 HH12 ARG 27 -52.219 9.622 -1.765 89 HH21 ARG 27 HH21 ARG 27 -52.811 9.779 -5.208 90 HH22 ARG 27 HH22 ARG 27 -53.139 8.919 -3.742 91 H SER 28 H SER 28 -48.073 16.925 -5.803 92 HA SER 28 HA SER 28 -46.504 14.979 -7.259 93 HB2 SER 28 HB1 SER 28 -45.882 16.662 -9.040 94 HB3 SER 28 HB2 SER 28 -47.537 16.036 -9.145 95 HG SER 28 HG SER 28 -47.714 18.218 -9.350 96 H SER 29 H SER 29 -44.552 14.980 -6.381 97 HA SER 29 HA SER 29 -43.296 17.497 -5.610 98 HB2 SER 29 HB1 SER 29 -43.166 17.116 -3.378 99 HB3 SER 29 HB2 SER 29 -44.578 16.084 -3.672 100 HG SER 29 HG SER 29 -43.219 14.300 -3.799 101 H ALA 30 H ALA 30 -41.246 17.535 -6.247 102 HA ALA 30 HA ALA 30 -40.004 15.039 -7.128 103 HB1 ALA 30 HB1 ALA 30 -39.338 17.928 -7.641 104 HB2 ALA 30 HB2 ALA 30 -38.314 16.590 -8.162 105 HB3 ALA 30 HB3 ALA 30 -39.958 16.735 -8.785 106 H ASP 31 H ASP 31 -38.265 14.146 -6.177 107 HA ASP 31 HA ASP 31 -37.462 15.119 -3.595 108 HB2 ASP 31 HB1 ASP 31 -35.887 13.125 -3.686 109 HB3 ASP 31 HB2 ASP 31 -37.614 12.761 -3.792 110 HD2 ASP 31 HD ASP 31 -36.685 10.871 -6.523 111 H LEU 32 H LEU 32 -35.080 15.204 -3.039 112 HA LEU 32 HA LEU 32 -33.586 16.546 -5.196 113 HB2 LEU 32 HB1 LEU 32 -34.384 17.508 -2.598 114 HB3 LEU 32 HB2 LEU 32 -32.618 17.487 -2.740 115 HG LEU 32 HG LEU 32 -33.260 18.698 -5.063 116 HD11 LEU 32 HD11 LEU 32 -35.163 19.928 -5.018 117 HD12 LEU 32 HD12 LEU 32 -35.165 20.070 -3.260 118 HD13 LEU 32 HD13 LEU 32 -35.709 18.576 -4.025 119 HD21 LEU 32 HD21 LEU 32 -33.062 20.858 -3.508 120 HD22 LEU 32 HD22 LEU 32 -31.686 19.820 -3.879 121 HD23 LEU 32 HD23 LEU 32 -32.543 19.634 -2.349 122 H HIS 33 H HIS 33 -31.395 16.150 -5.347 123 HA HIS 33 HA HIS 33 -30.467 13.790 -3.880 124 HB2 HIS 33 HB1 HIS 33 -29.681 15.085 -6.476 125 HB3 HIS 33 HB2 HIS 33 -28.572 13.977 -5.664 126 HD1 HIS 33 HD1 HIS 33 -30.577 11.843 -4.700 127 HD2 HIS 33 HD2 HIS 33 -30.555 13.482 -8.518 128 HE1 HIS 33 HE1 HIS 33 -31.722 10.150 -6.166 129 HE2 HIS 33 HE2 HIS 33 -31.708 11.151 -8.500 130 H GLY 34 H GLY 34 -28.924 16.763 -5.127 131 HA2 GLY 34 HA2 GLY 34 -27.889 18.348 -3.614 132 HA3 GLY 34 HA3 GLY 34 -27.546 17.008 -2.530 133 HA1 GLY 34 HA1 GLY 34 -27.797 17.975 -4.407 134 H ALA 35 H ALA 35 -25.356 17.247 -2.399 135 HA ALA 35 HA ALA 35 -23.867 16.575 -4.834 136 HB1 ALA 35 HB1 ALA 35 -23.562 18.907 -4.780 137 HB2 ALA 35 HB2 ALA 35 -23.332 18.918 -3.031 138 HB3 ALA 35 HB3 ALA 35 -22.092 18.230 -4.078 139 H ARG 36 H ARG 36 -23.217 17.351 -1.408 140 HA ARG 36 HA ARG 36 -21.991 16.278 0.182 141 HB2 ARG 36 HB1 ARG 36 -22.880 13.801 -1.316 142 HB3 ARG 36 HB2 ARG 36 -22.279 13.858 0.347 143 HG2 ARG 36 HG1 ARG 36 -24.730 15.376 -0.512 144 HG3 ARG 36 HG2 ARG 36 -24.792 13.690 0.028 145 HD2 ARG 36 HD1 ARG 36 -24.051 14.225 2.197 146 HD3 ARG 36 HD2 ARG 36 -23.470 15.815 1.684 147 HE ARG 36 HE ARG 36 -26.249 15.665 1.269 148 HH11 ARG 36 HH11 ARG 36 -23.910 15.846 3.842 149 HH12 ARG 36 HH12 ARG 36 -24.988 16.644 4.940 150 HH21 ARG 36 HH21 ARG 36 -27.676 16.715 2.705 151 HH22 ARG 36 HH22 ARG 36 -27.129 17.137 4.293 152 H LYS 37 H LYS 37 -19.997 17.120 -0.551 153 HA LYS 37 HA LYS 37 -18.330 15.186 -2.024 154 HB2 LYS 37 HB1 LYS 37 -18.554 18.145 -2.152 155 HB3 LYS 37 HB2 LYS 37 -16.925 17.464 -2.285 156 HG2 LYS 37 HG1 LYS 37 -18.473 15.901 -3.996 157 HG3 LYS 37 HG2 LYS 37 -19.041 17.562 -4.241 158 HD2 LYS 37 HD1 LYS 37 -16.526 18.174 -4.366 159 HD3 LYS 37 HD2 LYS 37 -16.290 16.436 -4.633 160 HE2 LYS 37 HE1 LYS 37 -16.430 17.544 -6.776 161 HE3 LYS 37 HE2 LYS 37 -17.872 16.548 -6.534 162 HZ1 LYS 37 HZ1 LYS 37 -18.078 18.984 -7.387 163 HZ2 LYS 37 HZ2 LYS 37 -17.959 19.375 -5.746 164 HZ3 LYS 37 HZ3 LYS 37 -19.210 18.372 -6.288 165 H GLY 38 H GLY 38 -16.422 14.543 -1.148 166 HA2 GLY 38 HA2 GLY 38 -15.245 15.963 1.082 167 HA3 GLY 38 HA3 GLY 38 -15.953 14.411 1.507 168 HA1 GLY 38 HA1 GLY 38 -15.069 15.858 0.224 169 H SER 39 H SER 39 -13.364 14.649 2.018 170 HA SER 39 HA SER 39 -11.501 14.162 0.028 171 HB2 SER 39 HB1 SER 39 -11.664 13.521 2.944 172 HB3 SER 39 HB2 SER 39 -10.379 12.759 1.989 173 HG SER 39 HG SER 39 -9.381 14.606 1.868 174 H GLN 40 H GLN 40 -10.746 12.374 -1.029 175 HA GLN 40 HA GLN 40 -12.557 10.122 -1.173 176 HB2 GLN 40 HB1 GLN 40 -10.380 11.242 -2.817 177 HB3 GLN 40 HB2 GLN 40 -10.507 9.476 -2.844 178 HG2 GLN 40 HG1 GLN 40 -12.612 9.495 -3.804 179 HG3 GLN 40 HG2 GLN 40 -12.936 11.155 -3.284 180 HE21 GLN 40 HE21 GLN 40 -11.748 12.871 -4.342 181 HE22 GLN 40 HE22 GLN 40 -11.266 12.678 -5.989 182 H CYS 41 H CYS 41 -9.198 10.727 -0.242 183 HA CYS 41 HA CYS 41 -9.242 8.300 1.369 184 HB2 CYS 41 HB1 CYS 41 -7.008 7.602 0.500 185 HB3 CYS 41 HB2 CYS 41 -8.310 7.457 -0.681 186 H LEU 42 H LEU 42 -7.809 8.328 3.107 187 HA LEU 42 HA LEU 42 -6.785 10.983 3.766 188 HB2 LEU 42 HB1 LEU 42 -8.081 8.951 5.223 189 HB3 LEU 42 HB2 LEU 42 -6.425 9.037 5.849 190 HG LEU 42 HG LEU 42 -8.375 11.338 5.711 191 HD11 LEU 42 HD11 LEU 42 -7.355 9.792 8.090 192 HD12 LEU 42 HD12 LEU 42 -8.961 9.626 7.381 193 HD13 LEU 42 HD13 LEU 42 -8.477 11.153 8.118 194 HD21 LEU 42 HD21 LEU 42 -6.420 12.096 7.417 195 HD22 LEU 42 HD22 LEU 42 -6.462 12.522 5.705 196 HD23 LEU 42 HD23 LEU 42 -5.489 11.155 6.250 197 H SER 43 H SER 43 -5.708 7.727 3.129 198 HA SER 43 HA SER 43 -3.020 8.602 2.716 199 HB2 SER 43 HB1 SER 43 -1.889 7.507 4.471 200 HB3 SER 43 HB2 SER 43 -3.253 8.316 5.265 201 HG SER 43 HG SER 43 -2.807 5.972 5.740 202 H ASP 44 H ASP 44 -1.575 6.465 2.517 203 HA ASP 44 HA ASP 44 -2.526 5.064 0.311 204 HB2 ASP 44 HB1 ASP 44 -0.573 3.750 0.433 205 HB3 ASP 44 HB2 ASP 44 -0.115 5.309 1.131 206 HD2 ASP 44 HD ASP 44 -0.033 3.879 4.382 207 H THR 45 H THR 45 -2.952 4.466 3.702 208 HA THR 45 HA THR 45 -3.584 1.747 3.683 209 HB THR 45 HB THR 45 -5.147 3.535 5.481 210 HG1 THR 45 HG1 THR 45 -2.312 3.303 5.475 211 HG21 THR 45 HG21 THR 45 -4.477 1.864 7.146 212 HG22 THR 45 HG22 THR 45 -3.474 1.061 5.937 213 HG23 THR 45 HG23 THR 45 -5.227 1.103 5.744 214 H ASP 46 H ASP 46 -5.410 4.506 2.633 215 HA ASP 46 HA ASP 46 -7.985 3.318 2.682 216 HB2 ASP 46 HB1 ASP 46 -7.704 5.741 2.585 217 HB3 ASP 46 HB2 ASP 46 -6.915 5.600 1.008 218 HD2 ASP 46 HD ASP 46 -10.848 5.425 1.173 219 H CYS 47 H CYS 47 -5.327 3.220 0.440 220 HA CYS 47 HA CYS 47 -6.965 1.956 -1.620 221 HB2 CYS 47 HB1 CYS 47 -4.524 3.488 -1.580 222 HB3 CYS 47 HB2 CYS 47 -4.244 1.942 -2.382 223 H ASN 48 H ASN 48 -7.322 -0.150 -1.412 224 HA ASN 48 HA ASN 48 -5.732 -1.877 0.180 225 HB2 ASN 48 HB1 ASN 48 -8.041 -2.413 -0.063 226 HB3 ASN 48 HB2 ASN 48 -7.926 -2.392 -1.828 227 HD21 ASN 48 HD21 ASN 48 -8.595 -4.442 -2.207 228 HD22 ASN 48 HD22 ASN 48 -7.719 -5.848 -1.717 229 H THR 49 H THR 49 -5.819 -1.123 -3.241 230 HA THR 49 HA THR 49 -4.164 -3.281 -4.086 231 HB THR 49 HB THR 49 -3.895 -1.044 -5.853 232 HG1 THR 49 HG1 THR 49 -6.088 -0.573 -6.186 233 HG21 THR 49 HG21 THR 49 -5.543 -2.628 -7.173 234 HG22 THR 49 HG22 THR 49 -5.142 -3.750 -5.873 235 HG23 THR 49 HG23 THR 49 -3.865 -3.090 -6.893 236 H ARG 50 H ARG 50 -2.103 -2.508 -5.462 237 HA ARG 50 HA ARG 50 -0.221 -1.609 -3.481 238 HB2 ARG 50 HB1 ARG 50 0.118 -2.382 -6.388 239 HB3 ARG 50 HB2 ARG 50 1.454 -1.985 -5.297 240 HG2 ARG 50 HG1 ARG 50 1.164 -3.907 -4.013 241 HG3 ARG 50 HG2 ARG 50 -0.483 -4.159 -4.612 242 HD2 ARG 50 HD1 ARG 50 0.236 -5.395 -6.327 243 HD3 ARG 50 HD2 ARG 50 1.410 -4.154 -6.789 244 HE ARG 50 HE ARG 50 2.506 -5.407 -4.604 245 HH11 ARG 50 HH11 ARG 50 1.412 -6.370 -7.765 246 HH12 ARG 50 HH12 ARG 50 2.538 -7.679 -7.900 247 HH21 ARG 50 HH21 ARG 50 3.994 -7.128 -4.770 248 HH22 ARG 50 HH22 ARG 50 4.007 -8.109 -6.195 249 H LYS 51 H LYS 51 -1.640 0.506 -3.538 250 HA LYS 51 HA LYS 51 -0.044 2.464 -4.990 251 HB2 LYS 51 HB1 LYS 51 -3.068 2.372 -5.147 252 HB3 LYS 51 HB2 LYS 51 -2.046 3.675 -5.776 253 HG2 LYS 51 HG1 LYS 51 -1.015 2.143 -7.362 254 HG3 LYS 51 HG2 LYS 51 -1.991 0.812 -6.713 255 HD2 LYS 51 HD1 LYS 51 -4.042 2.181 -7.317 256 HD3 LYS 51 HD2 LYS 51 -2.942 3.243 -8.214 257 HE2 LYS 51 HE1 LYS 51 -2.995 1.858 -9.959 258 HE3 LYS 51 HE2 LYS 51 -2.349 0.563 -8.940 259 HZ1 LYS 51 HZ1 LYS 51 -4.696 0.177 -8.195 260 HZ2 LYS 51 HZ2 LYS 51 -4.381 -0.209 -9.811 261 HZ3 LYS 51 HZ3 LYS 51 -5.196 1.223 -9.427 262 H PHE 52 H PHE 52 -0.385 4.674 -4.193 263 HA PHE 52 HA PHE 52 -1.232 4.659 -1.373 264 HB2 PHE 52 HB1 PHE 52 0.397 6.380 -0.934 265 HB3 PHE 52 HB2 PHE 52 1.199 5.045 -1.766 266 HD1 PHE 52 HD1 PHE 52 0.246 8.535 -1.956 267 HD2 PHE 52 HD2 PHE 52 1.851 5.246 -4.131 268 HE1 PHE 52 HE1 PHE 52 1.085 10.084 -3.673 269 HE2 PHE 52 HE2 PHE 52 2.692 6.791 -5.852 270 HZ PHE 52 HZ PHE 52 2.310 9.213 -5.624 271 H CYS 53 H CYS 53 -1.796 6.954 -0.590 272 HA CYS 53 HA CYS 53 -3.818 7.997 -2.419 273 HB2 CYS 53 HB1 CYS 53 -4.596 7.461 -0.200 274 HB3 CYS 53 HB2 CYS 53 -3.327 8.447 0.529 275 H LEU 54 H LEU 54 -2.931 9.409 -3.820 276 HA LEU 54 HA LEU 54 -0.916 11.303 -2.971 277 HB2 LEU 54 HB1 LEU 54 -1.084 10.099 -5.247 278 HB3 LEU 54 HB2 LEU 54 -2.312 11.319 -5.624 279 HG LEU 54 HG LEU 54 0.191 12.457 -4.629 280 HD11 LEU 54 HD11 LEU 54 0.925 11.980 -7.226 281 HD12 LEU 54 HD12 LEU 54 0.263 10.426 -6.718 282 HD13 LEU 54 HD13 LEU 54 1.579 11.164 -5.805 283 HD21 LEU 54 HD21 LEU 54 -1.868 12.962 -6.693 284 HD22 LEU 54 HD22 LEU 54 -0.252 13.596 -7.003 285 HD23 LEU 54 HD23 LEU 54 -1.118 14.067 -5.541 286 H GLN 55 H GLN 55 -1.256 13.338 -2.346 287 HA GLN 55 HA GLN 55 -3.920 14.507 -2.815 288 HB2 GLN 55 HB1 GLN 55 -2.144 14.876 -0.391 289 HB3 GLN 55 HB2 GLN 55 -3.709 15.658 -0.654 290 HG2 GLN 55 HG1 GLN 55 -4.551 13.175 -0.896 291 HG3 GLN 55 HG2 GLN 55 -3.099 12.839 0.056 292 HE21 GLN 55 HE21 GLN 55 -4.310 12.158 1.822 293 HE22 GLN 55 HE22 GLN 55 -5.163 13.267 2.834 294 HA PRO 56 HA PRO 56 -0.912 17.300 -4.849 295 HB2 PRO 56 HB1 PRO 56 -2.649 18.091 -6.812 296 HB3 PRO 56 HB2 PRO 56 -1.691 16.613 -6.898 297 HG2 PRO 56 HG1 PRO 56 -4.541 16.984 -6.040 298 HG3 PRO 56 HG2 PRO 56 -3.833 15.738 -7.133 299 HD2 PRO 56 HD1 PRO 56 -4.454 15.230 -4.540 300 HD3 PRO 56 HD2 PRO 56 -3.079 14.471 -5.361 301 H ARG 57 H ARG 57 -0.791 19.546 -4.836 302 HA ARG 57 HA ARG 57 -2.626 20.860 -3.032 303 HB2 ARG 57 HB1 ARG 57 -0.160 21.199 -2.924 304 HB3 ARG 57 HB2 ARG 57 -0.244 22.006 -4.496 305 HG2 ARG 57 HG1 ARG 57 -1.142 23.908 -3.648 306 HG3 ARG 57 HG2 ARG 57 -2.024 23.045 -2.378 307 HD2 ARG 57 HD1 ARG 57 0.979 23.279 -2.338 308 HD3 ARG 57 HD2 ARG 57 -0.070 24.535 -1.665 309 HE ARG 57 HE ARG 57 -0.867 22.094 -0.580 310 HH11 ARG 57 HH11 ARG 57 1.892 24.216 -0.533 311 HH12 ARG 57 HH12 ARG 57 2.390 23.746 1.058 312 HH21 ARG 57 HH21 ARG 57 -0.221 21.465 1.515 313 HH22 ARG 57 HH22 ARG 57 1.189 22.180 2.222 314 H ASP 58 H ASP 58 -2.046 20.700 -6.443 315 HA ASP 58 HA ASP 58 -3.670 23.053 -6.992 316 HB2 ASP 58 HB1 ASP 58 -2.083 21.152 -8.714 317 HB3 ASP 58 HB2 ASP 58 -3.207 22.322 -9.419 318 HD2 ASP 58 HD ASP 58 -0.010 23.954 -9.283 319 H GLU 59 H GLU 59 -3.976 19.624 -6.812 320 HA GLU 59 HA GLU 59 -6.715 19.828 -7.879 321 HB2 GLU 59 HB1 GLU 59 -4.558 18.084 -8.652 322 HB3 GLU 59 HB2 GLU 59 -5.907 17.133 -8.015 323 HG2 GLU 59 HG1 GLU 59 -7.324 17.714 -9.705 324 HG3 GLU 59 HG2 GLU 59 -6.519 19.265 -9.983 325 HE2 GLU 59 HE GLU 59 -5.546 16.308 -12.263 326 H LYS 60 H LYS 60 -7.903 17.630 -7.123 327 HA LYS 60 HA LYS 60 -7.964 17.840 -4.231 328 HB2 LYS 60 HB1 LYS 60 -9.764 16.842 -6.356 329 HB3 LYS 60 HB2 LYS 60 -9.847 15.975 -4.815 330 HG2 LYS 60 HG1 LYS 60 -9.909 18.572 -3.978 331 HG3 LYS 60 HG2 LYS 60 -10.787 18.654 -5.517 332 HD2 LYS 60 HD1 LYS 60 -12.416 17.112 -4.814 333 HD3 LYS 60 HD2 LYS 60 -11.414 16.555 -3.461 334 HE2 LYS 60 HE1 LYS 60 -12.816 17.906 -2.279 335 HE3 LYS 60 HE2 LYS 60 -11.625 19.121 -2.769 336 HZ1 LYS 60 HZ1 LYS 60 -13.730 18.693 -4.695 337 HZ2 LYS 60 HZ2 LYS 60 -13.093 20.139 -4.091 338 HZ3 LYS 60 HZ3 LYS 60 -14.271 19.303 -3.212 339 HA PRO 61 HA PRO 61 -5.851 14.129 -3.226 340 HB2 PRO 61 HB1 PRO 61 -7.348 13.132 -1.161 341 HB3 PRO 61 HB2 PRO 61 -6.329 14.562 -1.021 342 HG2 PRO 61 HG1 PRO 61 -9.280 14.373 -1.528 343 HG3 PRO 61 HG2 PRO 61 -8.384 15.449 -0.391 344 HD2 PRO 61 HD1 PRO 61 -9.317 16.306 -2.793 345 HD3 PRO 61 HD2 PRO 61 -7.817 16.918 -2.075 346 H PHE 62 H PHE 62 -5.748 12.069 -3.927 347 HA PHE 62 HA PHE 62 -8.022 10.358 -4.127 348 HB2 PHE 62 HB1 PHE 62 -8.227 10.153 -6.488 349 HB3 PHE 62 HB2 PHE 62 -8.293 11.878 -6.127 350 HD1 PHE 62 HD1 PHE 62 -5.882 13.051 -6.110 351 HD2 PHE 62 HD2 PHE 62 -6.923 9.542 -8.284 352 HE1 PHE 62 HE1 PHE 62 -4.035 13.478 -7.680 353 HE2 PHE 62 HE2 PHE 62 -5.078 9.963 -9.855 354 HZ PHE 62 HZ PHE 62 -3.630 11.933 -9.554 355 H CYS 63 H CYS 63 -7.392 8.296 -5.396 356 HA CYS 63 HA CYS 63 -4.787 7.483 -4.402 357 HB2 CYS 63 HB1 CYS 63 -7.309 6.176 -5.082 358 HB3 CYS 63 HB2 CYS 63 -5.906 5.298 -5.697 359 H ALA 64 H ALA 64 -3.039 7.638 -5.625 360 HA ALA 64 HA ALA 64 -3.332 7.364 -8.547 361 HB1 ALA 64 HB1 ALA 64 -0.886 8.675 -7.757 362 HB2 ALA 64 HB2 ALA 64 -2.160 9.228 -8.845 363 HB3 ALA 64 HB3 ALA 64 -2.297 9.514 -7.110 364 H THR 65 H THR 65 -1.466 6.453 -9.675 365 HA THR 65 HA THR 65 -0.690 3.980 -8.698 366 HB THR 65 HB THR 65 1.290 5.148 -10.513 367 HG1 THR 65 HG1 THR 65 -0.159 5.533 -12.194 368 HG21 THR 65 HG21 THR 65 -0.665 2.859 -10.769 369 HG22 THR 65 HG22 THR 65 0.999 2.743 -10.197 370 HG23 THR 65 HG23 THR 65 0.670 3.198 -11.869 371 H CYS 66 H CYS 66 1.519 3.205 -8.226 372 HA CYS 66 HA CYS 66 2.693 4.792 -6.138 373 HB2 CYS 66 HB1 CYS 66 2.785 2.021 -7.040 374 HB3 CYS 66 HB2 CYS 66 4.380 2.623 -6.584 375 H ARG 67 H ARG 67 5.219 4.774 -6.066 376 HA ARG 67 HA ARG 67 6.134 5.949 -8.602 377 HB2 ARG 67 HB1 ARG 67 7.370 6.343 -5.874 378 HB3 ARG 67 HB2 ARG 67 7.654 7.291 -7.340 379 HG2 ARG 67 HG1 ARG 67 4.914 7.498 -6.926 380 HG3 ARG 67 HG2 ARG 67 5.627 7.606 -5.306 381 HD2 ARG 67 HD1 ARG 67 5.864 9.793 -5.823 382 HD3 ARG 67 HD2 ARG 67 7.305 9.217 -6.674 383 HE ARG 67 HE ARG 67 5.108 9.051 -8.411 384 HH11 ARG 67 HH11 ARG 67 7.096 11.432 -6.832 385 HH12 ARG 67 HH12 ARG 67 6.872 12.627 -8.066 386 HH21 ARG 67 HH21 ARG 67 4.805 10.616 -10.043 387 HH22 ARG 67 HH22 ARG 67 5.569 12.162 -9.892 388 H GLY 68 H GLY 68 8.270 5.519 -9.340 389 HA2 GLY 68 HA2 GLY 68 9.166 2.827 -8.620 390 HA3 GLY 68 HA3 GLY 68 9.620 3.718 -10.065 391 HA1 GLY 68 HA1 GLY 68 9.167 3.460 -8.004 392 H LEU 69 H LEU 69 11.694 2.624 -9.063 393 HA LEU 69 HA LEU 69 12.944 3.897 -6.867 394 HB2 LEU 69 HB1 LEU 69 13.819 2.093 -9.076 395 HB3 LEU 69 HB2 LEU 69 15.055 2.945 -8.134 396 HG LEU 69 HG LEU 69 12.987 1.059 -7.007 397 HD11 LEU 69 HD11 LEU 69 14.901 0.137 -8.454 398 HD12 LEU 69 HD12 LEU 69 14.642 -0.566 -6.859 399 HD13 LEU 69 HD13 LEU 69 15.944 0.596 -7.108 400 HD21 LEU 69 HD21 LEU 69 14.488 1.230 -4.978 401 HD22 LEU 69 HD22 LEU 69 13.497 2.645 -5.333 402 HD23 LEU 69 HD23 LEU 69 15.211 2.643 -5.748 403 H ARG 70 H ARG 70 12.657 4.699 -10.224 404 HA ARG 70 HA ARG 70 14.745 6.735 -10.036 405 HB2 ARG 70 HB1 ARG 70 13.058 5.782 -12.362 406 HB3 ARG 70 HB2 ARG 70 14.272 7.066 -12.469 407 HG2 ARG 70 HG1 ARG 70 15.511 4.808 -11.267 408 HG3 ARG 70 HG2 ARG 70 14.638 4.267 -12.711 409 HD2 ARG 70 HD1 ARG 70 15.739 6.119 -13.993 410 HD3 ARG 70 HD2 ARG 70 16.711 6.449 -12.551 411 HE ARG 70 HE ARG 70 17.174 3.830 -12.972 412 HH11 ARG 70 HH11 ARG 70 17.295 6.611 -15.062 413 HH12 ARG 70 HH12 ARG 70 18.540 5.958 -16.076 414 HH21 ARG 70 HH21 ARG 70 18.813 2.960 -14.298 415 HH22 ARG 70 HH22 ARG 70 19.401 3.880 -15.640 416 H ARG 71 H ARG 71 11.839 6.670 -8.877 417 HA ARG 71 HA ARG 71 10.931 9.235 -9.982 418 HB2 ARG 71 HB1 ARG 71 9.576 6.934 -8.661 419 HB3 ARG 71 HB2 ARG 71 8.899 8.545 -8.390 420 HG2 ARG 71 HG1 ARG 71 9.453 7.456 -11.143 421 HG3 ARG 71 HG2 ARG 71 7.911 7.231 -10.299 422 HD2 ARG 71 HD1 ARG 71 7.529 9.602 -10.194 423 HD3 ARG 71 HD2 ARG 71 9.156 9.926 -10.811 424 HE ARG 71 HE ARG 71 8.398 9.544 -12.939 425 HH11 ARG 71 HH11 ARG 71 6.059 8.353 -10.652 426 HH12 ARG 71 HH12 ARG 71 4.850 8.039 -11.853 427 HH21 ARG 71 HH21 ARG 71 6.815 9.136 -14.530 428 HH22 ARG 71 HH22 ARG 71 5.281 8.485 -14.058 429 H ARG 72 H ARG 72 10.697 11.034 -8.722 430 HA ARG 72 HA ARG 72 12.210 11.101 -6.277 431 HB2 ARG 72 HB1 ARG 72 11.600 13.526 -6.275 432 HB3 ARG 72 HB2 ARG 72 12.407 12.981 -7.753 433 HG2 ARG 72 HG1 ARG 72 9.559 12.717 -8.046 434 HG3 ARG 72 HG2 ARG 72 9.983 14.362 -7.537 435 HD2 ARG 72 HD1 ARG 72 11.868 14.019 -9.412 436 HD3 ARG 72 HD2 ARG 72 10.632 12.922 -10.045 437 HE ARG 72 HE ARG 72 9.571 15.489 -9.355 438 HH11 ARG 72 HH11 ARG 72 11.258 13.693 -11.814 439 HH12 ARG 72 HH12 ARG 72 10.733 14.719 -13.107 440 HH21 ARG 72 HH21 ARG 72 8.872 16.847 -11.049 441 HH22 ARG 72 HH22 ARG 72 9.376 16.512 -12.671 442 H CYS 73 H CYS 73 11.455 11.627 -4.216 443 HA CYS 73 HA CYS 73 8.572 11.729 -3.783 444 HB2 CYS 73 HB1 CYS 73 8.696 9.979 -2.025 445 HB3 CYS 73 HB2 CYS 73 9.013 9.358 -3.645 446 H GLN 74 H GLN 74 8.172 11.954 -1.301 447 HA GLN 74 HA GLN 74 10.189 13.822 -0.242 448 HB2 GLN 74 HB1 GLN 74 7.526 14.334 -0.895 449 HB3 GLN 74 HB2 GLN 74 7.528 14.171 0.868 450 HG2 GLN 74 HG1 GLN 74 9.667 15.850 -0.299 451 HG3 GLN 74 HG2 GLN 74 8.015 16.474 -0.395 452 HE21 GLN 74 HE21 GLN 74 10.687 16.677 1.367 453 HE22 GLN 74 HE22 GLN 74 10.025 16.984 2.932 454 H ARG 75 H ARG 75 7.936 11.235 0.480 455 HA ARG 75 HA ARG 75 9.356 10.783 3.007 456 HB2 ARG 75 HB1 ARG 75 7.175 10.162 4.070 457 HB3 ARG 75 HB2 ARG 75 7.346 11.882 3.697 458 HG2 ARG 75 HG1 ARG 75 6.162 10.767 1.422 459 HG3 ARG 75 HG2 ARG 75 5.353 10.011 2.806 460 HD2 ARG 75 HD1 ARG 75 5.478 12.630 3.600 461 HD3 ARG 75 HD2 ARG 75 5.256 12.779 1.851 462 HE ARG 75 HE ARG 75 3.105 12.053 2.105 463 HH11 ARG 75 HH11 ARG 75 4.925 11.194 4.945 464 HH12 ARG 75 HH12 ARG 75 3.542 10.625 5.820 465 HH21 ARG 75 HH21 ARG 75 1.276 11.307 3.245 466 HH22 ARG 75 HH22 ARG 75 1.467 10.689 4.851 467 H ASP 76 H ASP 76 8.596 8.557 3.933 468 HA ASP 76 HA ASP 76 9.178 6.611 1.904 469 HB2 ASP 76 HB1 ASP 76 10.191 6.164 3.976 470 HB3 ASP 76 HB2 ASP 76 8.696 6.474 4.870 471 HD2 ASP 76 HD ASP 76 9.113 2.918 3.157 472 H ALA 77 H ALA 77 6.346 7.662 3.670 473 HA ALA 77 HA ALA 77 4.661 5.484 3.034 474 HB1 ALA 77 HB1 ALA 77 4.092 8.331 3.817 475 HB2 ALA 77 HB2 ALA 77 2.815 7.150 3.522 476 HB3 ALA 77 HB3 ALA 77 3.986 6.878 4.812 477 H MET 78 H MET 78 5.587 8.368 1.295 478 HA MET 78 HA MET 78 3.526 8.368 -0.629 479 HB2 MET 78 HB1 MET 78 6.243 9.575 -0.406 480 HB3 MET 78 HB2 MET 78 5.490 9.525 -2.006 481 HG2 MET 78 HG1 MET 78 3.535 10.726 -1.132 482 HG3 MET 78 HG2 MET 78 4.306 10.786 0.456 483 HE1 MET 78 HE1 MET 78 4.370 11.530 -3.107 484 HE2 MET 78 HE2 MET 78 4.709 13.260 -3.152 485 HE3 MET 78 HE3 MET 78 6.024 12.099 -3.340 486 H CYS 79 H CYS 79 6.414 6.482 -0.278 487 HA CYS 79 HA CYS 79 6.157 5.427 -3.000 488 HB2 CYS 79 HB1 CYS 79 8.341 5.628 -1.018 489 HB3 CYS 79 HB2 CYS 79 8.305 4.126 -1.943 490 H CYS 80 H CYS 80 5.965 3.196 -3.403 491 HA CYS 80 HA CYS 80 4.128 1.809 -1.864 492 HB2 CYS 80 HB1 CYS 80 5.884 1.207 -4.140 493 HB3 CYS 80 HB2 CYS 80 5.487 -0.205 -3.159 494 HA PRO 81 HA PRO 81 6.267 -0.100 1.456 495 HB2 PRO 81 HB1 PRO 81 5.111 -2.581 1.558 496 HB3 PRO 81 HB2 PRO 81 4.283 -1.101 2.036 497 HG2 PRO 81 HG1 PRO 81 4.166 -2.592 -0.564 498 HG3 PRO 81 HG2 PRO 81 2.819 -1.896 0.412 499 HD2 PRO 81 HD1 PRO 81 3.810 -0.672 -1.798 500 HD3 PRO 81 HD2 PRO 81 3.198 0.228 -0.399 501 H GLY 82 H GLY 82 8.349 -0.666 1.376 502 HA2 GLY 82 HA2 GLY 82 9.644 -2.868 1.146 503 HA3 GLY 82 HA3 GLY 82 9.170 -2.747 -0.542 504 HA1 GLY 82 HA1 GLY 82 9.665 -2.022 1.394 505 H THR 83 H THR 83 9.470 0.271 -0.269 506 HA THR 83 HA THR 83 12.409 0.323 -0.504 507 HB THR 83 HB THR 83 11.734 2.493 -1.921 508 HG1 THR 83 HG1 THR 83 9.422 1.775 -1.528 509 HG21 THR 83 HG21 THR 83 12.354 -0.285 -2.551 510 HG22 THR 83 HG22 THR 83 12.995 1.203 -3.250 511 HG23 THR 83 HG23 THR 83 11.476 0.532 -3.844 512 H LEU 84 H LEU 84 13.254 2.667 -0.285 513 HA LEU 84 HA LEU 84 11.827 4.069 1.868 514 HB2 LEU 84 HB1 LEU 84 14.651 3.075 1.822 515 HB3 LEU 84 HB2 LEU 84 14.251 4.550 2.720 516 HG LEU 84 HG LEU 84 12.672 2.076 3.251 517 HD11 LEU 84 HD11 LEU 84 14.298 1.320 4.878 518 HD12 LEU 84 HD12 LEU 84 15.395 2.624 4.424 519 HD13 LEU 84 HD13 LEU 84 15.019 1.345 3.269 520 HD21 LEU 84 HD21 LEU 84 12.630 3.042 5.513 521 HD22 LEU 84 HD22 LEU 84 11.998 4.155 4.298 522 HD23 LEU 84 HD23 LEU 84 13.624 4.384 4.944 523 H CYS 85 H CYS 85 11.742 6.228 1.657 524 HA CYS 85 HA CYS 85 12.650 7.435 -0.760 525 HB2 CYS 85 HB1 CYS 85 10.572 8.016 0.650 526 HB3 CYS 85 HB2 CYS 85 11.682 8.949 1.656 527 H VAL 86 H VAL 86 14.840 7.497 -0.945 528 HA VAL 86 HA VAL 86 16.329 8.905 1.174 529 HB VAL 86 HB VAL 86 17.401 6.983 -0.898 530 HG11 VAL 86 HG11 VAL 86 19.478 7.116 0.478 531 HG12 VAL 86 HG12 VAL 86 19.072 8.613 -0.364 532 HG13 VAL 86 HG13 VAL 86 18.745 8.454 1.363 533 HG21 VAL 86 HG21 VAL 86 17.926 5.749 1.379 534 HG22 VAL 86 HG22 VAL 86 16.518 6.659 1.924 535 HG23 VAL 86 HG23 VAL 86 16.378 5.549 0.560 536 H ASN 87 H ASN 87 17.534 10.672 0.674 537 HA ASN 87 HA ASN 87 18.150 12.547 -0.461 538 HB2 ASN 87 HB1 ASN 87 19.450 10.534 -1.605 539 HB3 ASN 87 HB2 ASN 87 18.446 10.985 -2.989 540 HD21 ASN 87 HD21 ASN 87 20.722 11.361 -3.790 541 HD22 ASN 87 HD22 ASN 87 21.355 12.956 -3.592 542 H ASP 88 H ASP 88 15.361 12.004 -0.376 543 HA ASP 88 HA ASP 88 13.409 12.803 -1.229 544 HB2 ASP 88 HB1 ASP 88 14.979 14.355 -3.280 545 HB3 ASP 88 HB2 ASP 88 13.452 14.783 -2.497 546 HD2 ASP 88 HD ASP 88 16.478 16.396 -0.964 547 H VAL 89 H VAL 89 14.768 10.427 -2.372 548 HA VAL 89 HA VAL 89 13.077 10.175 -4.729 549 HB VAL 89 HB VAL 89 16.036 9.574 -4.834 550 HG11 VAL 89 HG11 VAL 89 13.889 9.223 -6.925 551 HG12 VAL 89 HG12 VAL 89 15.619 8.969 -7.171 552 HG13 VAL 89 HG13 VAL 89 14.722 7.931 -6.061 553 HG21 VAL 89 HG21 VAL 89 14.388 11.666 -6.251 554 HG22 VAL 89 HG22 VAL 89 15.608 11.954 -5.010 555 HG23 VAL 89 HG23 VAL 89 16.084 11.312 -6.582 556 H CYS 90 H CYS 90 12.405 8.090 -5.137 557 HA CYS 90 HA CYS 90 12.367 6.286 -2.987 558 HB2 CYS 90 HB1 CYS 90 10.966 6.570 -5.324 559 HB3 CYS 90 HB2 CYS 90 11.906 5.113 -5.646 560 H THR 91 H THR 91 13.973 5.081 -2.249 561 HA THR 91 HA THR 91 15.825 3.859 -4.184 562 HB THR 91 HB THR 91 16.579 5.019 -1.494 563 HG1 THR 91 HG1 THR 91 17.702 5.820 -3.944 564 HG21 THR 91 HG21 THR 91 18.130 3.429 -3.524 565 HG22 THR 91 HG22 THR 91 17.943 3.119 -1.797 566 HG23 THR 91 HG23 THR 91 18.921 4.479 -2.349 567 H THR 92 H THR 92 16.374 1.755 -3.828 568 HA THR 92 HA THR 92 14.680 0.185 -2.194 569 HB THR 92 HB THR 92 16.965 -1.354 -2.828 570 HG1 THR 92 HG1 THR 92 17.094 -0.877 -5.104 571 HG21 THR 92 HG21 THR 92 14.300 -1.090 -4.228 572 HG22 THR 92 HG22 THR 92 14.663 -2.153 -2.867 573 HG23 THR 92 HG23 THR 92 15.432 -2.427 -4.430 574 H MET 93 H MET 93 15.168 -1.070 -0.362 575 HA MET 93 HA MET 93 16.691 0.201 1.618 576 HB2 MET 93 HB1 MET 93 14.745 -1.459 1.870 577 HB3 MET 93 HB2 MET 93 15.974 -2.721 1.694 578 HG2 MET 93 HG1 MET 93 17.104 -1.146 3.610 579 HG3 MET 93 HG2 MET 93 15.384 -0.969 3.965 580 HE1 MET 93 HE1 MET 93 15.477 -3.539 6.582 581 HE2 MET 93 HE2 MET 93 15.519 -1.828 6.160 582 HE3 MET 93 HE3 MET 93 14.170 -2.835 5.631 583 H GLU 94 H GLU 94 17.510 -2.252 -0.715 584 HA GLU 94 HA GLU 94 19.896 -3.153 0.541 585 HB2 GLU 94 HB1 GLU 94 18.914 -3.292 -2.314 586 HB3 GLU 94 HB2 GLU 94 20.434 -4.023 -1.776 587 HG2 GLU 94 HG1 GLU 94 18.318 -4.836 -0.024 588 HG3 GLU 94 HG2 GLU 94 17.858 -5.138 -1.706 589 HE2 GLU 94 HE GLU 94 19.675 -8.036 -1.453 590 H ASP 95 H ASP 95 19.134 -0.572 -1.706 591 HA ASP 95 HA ASP 95 21.879 0.063 -2.271 592 HB2 ASP 95 HB1 ASP 95 19.216 1.101 -3.041 593 HB3 ASP 95 HB2 ASP 95 20.521 2.294 -3.013 594 HD2 ASP 95 HD ASP 95 21.600 -0.623 -5.393 595 H ALA 96 H ALA 96 19.433 1.139 -0.009 596 HA ALA 96 HA ALA 96 20.763 3.487 0.865 597 HB1 ALA 96 HB1 ALA 96 18.900 3.792 2.040 598 HB2 ALA 96 HB2 ALA 96 18.306 2.283 1.347 599 HB3 ALA 96 HB3 ALA 96 19.121 2.275 2.911 600 H THR 97 H THR 97 22.410 3.754 2.230 601 HA THR 97 HA THR 97 24.109 3.310 3.679 602 HB THR 97 HB THR 97 22.619 0.997 4.854 603 HG1 THR 97 HG1 THR 97 20.925 2.250 5.073 604 HG21 THR 97 HG21 THR 97 23.986 1.349 6.584 605 HG22 THR 97 HG22 THR 97 23.572 3.063 6.642 606 HG23 THR 97 HG23 THR 97 24.855 2.502 5.570 607 H GLU 98 H GLU 98 25.674 2.578 2.294 608 HA GLU 98 HA GLU 98 25.888 -0.348 2.015 609 HB2 GLU 98 HB1 GLU 98 25.493 1.299 -0.068 610 HB3 GLU 98 HB2 GLU 98 27.258 1.390 0.038 611 HG2 GLU 98 HG1 GLU 98 27.546 -0.664 -0.789 612 HG3 GLU 98 HG2 GLU 98 26.230 -1.334 0.186 613 HE2 GLU 98 HE GLU 98 24.849 0.369 -3.102 614 H ASN 99 H ASN 99 28.283 -0.910 1.379 615 HA ASN 99 HA ASN 99 29.925 0.164 3.525 616 HB2 ASN 99 HB1 ASN 99 30.163 -2.216 1.687 617 HB3 ASN 99 HB2 ASN 99 31.516 -1.694 2.699 618 HD21 ASN 99 HD21 ASN 99 31.578 -3.423 4.043 619 HD22 ASN 99 HD22 ASN 99 30.318 -3.824 5.154 620 H LEU 100 H LEU 100 29.906 -0.039 0.009 621 HA LEU 100 HA LEU 100 31.189 0.941 -1.600 622 HB2 LEU 100 HB1 LEU 100 31.532 3.092 0.495 623 HB3 LEU 100 HB2 LEU 100 31.725 3.272 -1.258 624 HG LEU 100 HG LEU 100 29.078 2.306 -0.516 625 HD11 LEU 100 HD11 LEU 100 29.774 3.801 1.445 626 HD12 LEU 100 HD12 LEU 100 28.254 4.161 0.628 627 HD13 LEU 100 HD13 LEU 100 29.689 5.129 0.288 628 HD21 LEU 100 HD21 LEU 100 29.551 3.078 -2.731 629 HD22 LEU 100 HD22 LEU 100 30.152 4.620 -2.122 630 HD23 LEU 100 HD23 LEU 100 28.439 4.220 -1.979 631 H TYR 101 H TYR 101 33.428 2.445 -1.666 632 HA TYR 101 HA TYR 101 35.698 2.341 -1.571 633 HB2 TYR 101 HB1 TYR 101 34.824 2.283 1.058 634 HB3 TYR 101 HB2 TYR 101 35.927 0.907 0.966 635 HD1 TYR 101 HD1 TYR 101 38.214 1.232 1.203 636 HD2 TYR 101 HD2 TYR 101 35.766 4.532 0.100 637 HE1 TYR 101 HE1 TYR 101 40.152 2.732 1.409 638 HE2 TYR 101 HE2 TYR 101 37.697 6.040 0.302 639 HH TYR 101 HH TYR 101 40.918 4.861 0.694 640 H PHE 102 H PHE 102 37.589 0.736 -1.207 641 HA PHE 102 HA PHE 102 36.710 -1.900 -2.182 642 HB2 PHE 102 HB1 PHE 102 38.916 -0.081 -2.966 643 HB3 PHE 102 HB2 PHE 102 39.313 -1.800 -2.919 644 HD1 PHE 102 HD1 PHE 102 38.533 -3.310 -4.560 645 HD2 PHE 102 HD2 PHE 102 37.084 0.692 -4.472 646 HE1 PHE 102 HE1 PHE 102 37.506 -3.637 -6.772 647 HE2 PHE 102 HE2 PHE 102 36.054 0.371 -6.683 648 HZ PHE 102 HZ PHE 102 36.263 -1.796 -7.835 649 H GLN 103 H GLN 103 37.954 -3.756 -1.538 650 HA GLN 103 HA GLN 103 39.526 -3.382 0.916 651 HB2 GLN 103 HB1 GLN 103 38.448 -5.494 1.792 652 HB3 GLN 103 HB2 GLN 103 37.404 -4.066 1.734 653 HG2 GLN 103 HG1 GLN 103 37.328 -5.751 -0.676 654 HG3 GLN 103 HG2 GLN 103 36.717 -6.509 0.801 655 HE21 GLN 103 HE21 GLN 103 35.825 -4.783 -1.815 656 HE22 GLN 103 HE22 GLN 103 34.393 -4.030 -1.207 657 H SER 104 H SER 104 41.425 -3.720 -0.266 658 HA SER 104 HA SER 104 42.133 -6.479 -0.611 659 HB2 SER 104 HB1 SER 104 42.243 -6.678 -2.874 660 HB3 SER 104 HB2 SER 104 41.004 -5.413 -2.830 661 HG SER 104 HG SER 104 42.601 -4.723 -4.209 662 H LEU 105 H LEU 105 44.305 -6.798 -0.422 663 HA LEU 105 HA LEU 105 45.982 -4.380 -0.252 664 HB2 LEU 105 HB1 LEU 105 45.538 -6.569 1.621 665 HB3 LEU 105 HB2 LEU 105 47.253 -6.321 1.252 666 HG LEU 105 HG LEU 105 46.335 -3.765 1.767 667 HD11 LEU 105 HD11 LEU 105 44.268 -4.322 2.677 668 HD12 LEU 105 HD12 LEU 105 45.311 -4.167 4.090 669 HD13 LEU 105 HD13 LEU 105 44.897 -5.766 3.472 670 HD21 LEU 105 HD21 LEU 105 48.440 -5.050 2.471 671 HD22 LEU 105 HD22 LEU 105 47.503 -5.547 3.881 672 HD23 LEU 105 HD23 LEU 105 47.804 -3.834 3.580 673 H GLU 106 H GLU 106 48.348 -4.849 -0.547 674 HA GLU 106 HA GLU 106 48.668 -6.691 -2.810 675 HB2 GLU 106 HB1 GLU 106 50.722 -5.394 -3.307 676 HB3 GLU 106 HB2 GLU 106 49.254 -4.405 -3.319 677 HG2 GLU 106 HG1 GLU 106 49.971 -3.093 -1.666 678 HG3 GLU 106 HG2 GLU 106 50.547 -4.470 -0.716 679 HE2 GLU 106 HE GLU 106 53.154 -2.371 -2.712 680 H HIS 107 H HIS 107 50.795 -7.790 -2.999 681 HA HIS 107 HA HIS 107 52.041 -8.399 -0.417 682 HB2 HIS 107 HB1 HIS 107 50.602 -10.288 -2.221 683 HB3 HIS 107 HB2 HIS 107 52.073 -10.867 -1.431 684 HD1 HIS 107 HD1 HIS 107 52.011 -11.248 1.107 685 HD2 HIS 107 HD2 HIS 107 48.438 -9.819 -0.463 686 HE1 HIS 107 HE1 HIS 107 50.312 -11.526 2.939 687 HE2 HIS 107 HE2 HIS 107 48.129 -10.652 1.982 688 H HIS 108 H HIS 108 54.200 -8.925 -0.512 689 HA HIS 108 HA HIS 108 55.481 -8.460 -3.108 690 HB2 HIS 108 HB1 HIS 108 56.043 -7.610 -0.442 691 HB3 HIS 108 HB2 HIS 108 57.391 -8.611 -0.995 692 HD1 HIS 108 HD1 HIS 108 55.477 -5.521 -2.061 693 HD2 HIS 108 HD2 HIS 108 59.141 -7.377 -2.686 694 HE1 HIS 108 HE1 HIS 108 56.837 -3.889 -3.408 695 HE2 HIS 108 HE2 HIS 108 59.075 -5.023 -3.793 696 H HIS 109 H HIS 109 55.659 -10.353 -4.164 697 HA HIS 109 HA HIS 109 57.484 -12.318 -3.177 698 HB2 HIS 109 HB1 HIS 109 55.077 -12.775 -2.171 699 HB3 HIS 109 HB2 HIS 109 54.797 -13.487 -3.763 700 HD1 HIS 109 HD1 HIS 109 54.899 -15.938 -3.395 701 HD2 HIS 109 HD2 HIS 109 58.012 -13.948 -1.494 702 HE1 HIS 109 HE1 HIS 109 56.371 -17.743 -2.447 703 HE2 HIS 109 HE2 HIS 109 58.273 -16.526 -1.284 704 H HIS 110 H HIS 110 58.439 -13.382 -4.828 705 HA HIS 110 HA HIS 110 57.156 -13.855 -7.337 706 HB2 HIS 110 HB1 HIS 110 58.695 -12.455 -8.702 707 HB3 HIS 110 HB2 HIS 110 57.589 -11.508 -7.702 708 HD1 HIS 110 HD1 HIS 110 61.217 -12.514 -7.882 709 HD2 HIS 110 HD2 HIS 110 58.771 -9.834 -5.858 710 HE1 HIS 110 HE1 HIS 110 62.779 -10.972 -6.655 711 HE2 HIS 110 HE2 HIS 110 61.287 -9.334 -5.417 712 H HIS 111 H HIS 111 58.216 -15.389 -8.523 713 HA HIS 111 HA HIS 111 60.961 -16.086 -7.811 714 HB2 HIS 111 HB1 HIS 111 58.610 -17.604 -7.036 715 HB3 HIS 111 HB2 HIS 111 59.689 -18.565 -8.051 716 HD1 HIS 111 HD1 HIS 111 59.905 -16.458 -4.895 717 HD2 HIS 111 HD2 HIS 111 61.770 -19.690 -6.724 718 HE1 HIS 111 HE1 HIS 111 61.584 -17.299 -3.223 719 HE2 HIS 111 HE2 HIS 111 62.723 -19.274 -4.339 720 H HIS 112 H HIS 112 61.994 -17.488 -9.364 721 HA HIS 112 HA HIS 112 60.688 -17.408 -12.005 722 HB2 HIS 112 HB1 HIS 112 62.649 -15.871 -11.726 723 HB3 HIS 112 HB2 HIS 112 63.660 -17.296 -11.461 724 HD1 HIS 112 HD1 HIS 112 64.115 -18.848 -13.502 725 HD2 HIS 112 HD2 HIS 112 61.967 -15.406 -14.395 726 HE1 HIS 112 HE1 HIS 112 64.169 -18.653 -16.009 727 HE2 HIS 112 HE2 HIS 112 62.854 -16.549 -16.556 Start of MODEL 27 1 H1 MET 18 H MET 18 -41.441 65.476 -0.311 2 HA MET 18 HA MET 18 -43.112 63.173 -0.064 3 HB2 MET 18 HB1 MET 18 -44.527 65.464 0.159 4 HB3 MET 18 HB2 MET 18 -44.526 65.270 -1.600 5 HG2 MET 18 HG1 MET 18 -45.427 62.974 -1.314 6 HG3 MET 18 HG2 MET 18 -45.526 63.281 0.421 7 HE1 MET 18 HE1 MET 18 -48.557 62.704 -0.024 8 HE2 MET 18 HE2 MET 18 -49.057 63.288 -1.611 9 HE3 MET 18 HE3 MET 18 -47.631 62.261 -1.458 10 H LEU 19 H LEU 19 -42.245 61.925 -1.577 11 HA LEU 19 HA LEU 19 -41.640 63.120 -4.202 12 HB2 LEU 19 HB1 LEU 19 -40.013 61.491 -2.400 13 HB3 LEU 19 HB2 LEU 19 -40.093 60.847 -4.049 14 HG LEU 19 HG LEU 19 -39.479 63.727 -3.819 15 HD11 LEU 19 HD11 LEU 19 -37.493 61.613 -2.997 16 HD12 LEU 19 HD12 LEU 19 -38.190 62.849 -1.949 17 HD13 LEU 19 HD13 LEU 19 -37.132 63.315 -3.282 18 HD21 LEU 19 HD21 LEU 19 -37.924 61.696 -5.351 19 HD22 LEU 19 HD22 LEU 19 -38.308 63.368 -5.762 20 HD23 LEU 19 HD23 LEU 19 -39.550 62.122 -5.886 21 H VAL 20 H VAL 20 -41.640 61.501 -6.001 22 HA VAL 20 HA VAL 20 -43.835 59.576 -5.605 23 HB VAL 20 HB VAL 20 -44.131 59.773 -8.112 24 HG11 VAL 20 HG11 VAL 20 -45.185 61.234 -6.045 25 HG12 VAL 20 HG12 VAL 20 -44.676 62.484 -7.180 26 HG13 VAL 20 HG13 VAL 20 -45.788 61.217 -7.701 27 HG21 VAL 20 HG21 VAL 20 -43.246 61.760 -9.203 28 HG22 VAL 20 HG22 VAL 20 -42.397 62.214 -7.724 29 HG23 VAL 20 HG23 VAL 20 -41.931 60.753 -8.595 30 H LEU 21 H LEU 21 -43.498 57.478 -6.029 31 HA LEU 21 HA LEU 21 -40.890 56.482 -6.415 32 HB2 LEU 21 HB1 LEU 21 -43.618 55.214 -6.554 33 HB3 LEU 21 HB2 LEU 21 -42.129 54.291 -6.829 34 HG LEU 21 HG LEU 21 -42.392 55.850 -4.302 35 HD11 LEU 21 HD11 LEU 21 -43.351 53.572 -3.412 36 HD12 LEU 21 HD12 LEU 21 -43.984 53.451 -5.053 37 HD13 LEU 21 HD13 LEU 21 -44.421 54.826 -4.041 38 HD21 LEU 21 HD21 LEU 21 -40.438 54.291 -5.310 39 HD22 LEU 21 HD22 LEU 21 -41.356 53.095 -4.395 40 HD23 LEU 21 HD23 LEU 21 -40.717 54.524 -3.584 41 H ASP 22 H ASP 22 -39.871 55.605 -8.182 42 HA ASP 22 HA ASP 22 -41.043 56.299 -10.781 43 HB2 ASP 22 HB1 ASP 22 -38.863 57.300 -10.311 44 HB3 ASP 22 HB2 ASP 22 -38.178 55.696 -10.022 45 HD2 ASP 22 HD ASP 22 -37.261 55.828 -13.336 46 H PHE 23 H PHE 23 -38.743 53.797 -9.715 47 HA PHE 23 HA PHE 23 -40.471 51.652 -10.493 48 HB2 PHE 23 HB1 PHE 23 -38.617 52.772 -12.439 49 HB3 PHE 23 HB2 PHE 23 -38.289 51.066 -12.129 50 HD1 PHE 23 HD1 PHE 23 -40.425 53.396 -13.799 51 HD2 PHE 23 HD2 PHE 23 -40.173 49.397 -12.364 52 HE1 PHE 23 HE1 PHE 23 -42.278 52.750 -15.284 53 HE2 PHE 23 HE2 PHE 23 -42.024 48.744 -13.848 54 HZ PHE 23 HZ PHE 23 -43.078 50.421 -15.311 55 H ASN 24 H ASN 24 -39.148 49.514 -10.504 56 HA ASN 24 HA ASN 24 -36.750 49.536 -8.906 57 HB2 ASN 24 HB1 ASN 24 -39.331 49.291 -7.640 58 HB3 ASN 24 HB2 ASN 24 -38.415 47.793 -7.438 59 HD21 ASN 24 HD21 ASN 24 -39.171 49.906 -5.516 60 HD22 ASN 24 HD22 ASN 24 -37.689 50.401 -4.778 61 H ASN 25 H ASN 25 -35.665 48.245 -10.283 62 HA ASN 25 HA ASN 25 -36.899 45.679 -11.032 63 HB2 ASN 25 HB1 ASN 25 -34.756 47.343 -12.368 64 HB3 ASN 25 HB2 ASN 25 -35.080 45.665 -12.819 65 HD21 ASN 25 HD21 ASN 25 -35.638 48.674 -13.767 66 HD22 ASN 25 HD22 ASN 25 -37.178 48.498 -14.529 67 H ILE 26 H ILE 26 -35.440 43.813 -11.166 68 HA ILE 26 HA ILE 26 -32.983 43.947 -9.628 69 HB ILE 26 HB ILE 26 -34.675 43.635 -7.881 70 HG12 ILE 26 HG11 ILE 26 -33.238 41.013 -8.299 71 HG13 ILE 26 HG12 ILE 26 -32.381 42.499 -7.856 72 HG21 ILE 26 HG21 ILE 26 -36.221 41.899 -7.834 73 HG22 ILE 26 HG22 ILE 26 -36.244 42.416 -9.520 74 HG23 ILE 26 HG23 ILE 26 -35.355 40.965 -9.056 75 HD11 ILE 26 HD11 ILE 26 -34.572 42.171 -6.078 76 HD12 ILE 26 HD12 ILE 26 -33.663 40.661 -6.150 77 HD13 ILE 26 HD13 ILE 26 -32.844 42.164 -5.726 78 H ARG 27 H ARG 27 -31.529 42.462 -10.281 79 HA ARG 27 HA ARG 27 -32.143 39.915 -11.312 80 HB2 ARG 27 HB1 ARG 27 -31.594 40.219 -13.666 81 HB3 ARG 27 HB2 ARG 27 -32.994 41.206 -13.221 82 HG2 ARG 27 HG1 ARG 27 -31.476 43.171 -12.999 83 HG3 ARG 27 HG2 ARG 27 -30.171 42.156 -13.635 84 HD2 ARG 27 HD1 ARG 27 -31.314 41.853 -15.725 85 HD3 ARG 27 HD2 ARG 27 -32.766 42.636 -15.087 86 HE ARG 27 HE ARG 27 -30.562 44.401 -14.943 87 HH11 ARG 27 HH11 ARG 27 -32.783 42.970 -17.210 88 HH12 ARG 27 HH12 ARG 27 -32.681 44.282 -18.337 89 HH21 ARG 27 HH21 ARG 27 -30.419 46.134 -16.418 90 HH22 ARG 27 HH22 ARG 27 -31.335 46.081 -17.886 91 H SER 28 H SER 28 -30.103 39.130 -12.705 92 HA SER 28 HA SER 28 -27.891 38.600 -12.668 93 HB2 SER 28 HB1 SER 28 -27.929 41.283 -13.001 94 HB3 SER 28 HB2 SER 28 -27.042 41.176 -11.470 95 HG SER 28 HG SER 28 -25.382 40.371 -12.486 96 H SER 29 H SER 29 -25.836 38.870 -11.054 97 HA SER 29 HA SER 29 -24.938 38.212 -9.072 98 HB2 SER 29 HB1 SER 29 -26.855 40.208 -8.446 99 HB3 SER 29 HB2 SER 29 -27.016 38.931 -7.226 100 HG SER 29 HG SER 29 -25.112 39.414 -6.449 101 H ALA 30 H ALA 30 -24.971 36.020 -9.243 102 HA ALA 30 HA ALA 30 -27.011 34.634 -7.697 103 HB1 ALA 30 HB1 ALA 30 -27.884 34.615 -9.990 104 HB2 ALA 30 HB2 ALA 30 -26.397 33.841 -10.541 105 HB3 ALA 30 HB3 ALA 30 -27.471 32.994 -9.428 106 H ASP 31 H ASP 31 -26.363 32.066 -8.089 107 HA ASP 31 HA ASP 31 -23.489 31.946 -7.443 108 HB2 ASP 31 HB1 ASP 31 -25.754 30.246 -6.362 109 HB3 ASP 31 HB2 ASP 31 -24.040 30.003 -6.000 110 HD2 ASP 31 HD ASP 31 -24.307 32.185 -3.394 111 H LEU 32 H LEU 32 -22.622 29.631 -7.714 112 HA LEU 32 HA LEU 32 -23.805 28.308 -10.049 113 HB2 LEU 32 HB1 LEU 32 -21.654 29.986 -10.290 114 HB3 LEU 32 HB2 LEU 32 -20.878 28.408 -10.075 115 HG LEU 32 HG LEU 32 -23.002 28.288 -12.044 116 HD11 LEU 32 HD11 LEU 32 -22.039 29.666 -13.738 117 HD12 LEU 32 HD12 LEU 32 -20.692 30.108 -12.691 118 HD13 LEU 32 HD13 LEU 32 -22.321 30.672 -12.317 119 HD21 LEU 32 HD21 LEU 32 -21.284 26.588 -11.758 120 HD22 LEU 32 HD22 LEU 32 -20.033 27.766 -12.157 121 HD23 LEU 32 HD23 LEU 32 -21.212 27.284 -13.377 122 H HIS 33 H HIS 33 -23.217 26.105 -10.302 123 HA HIS 33 HA HIS 33 -22.821 24.737 -7.826 124 HB2 HIS 33 HB1 HIS 33 -22.875 23.656 -10.656 125 HB3 HIS 33 HB2 HIS 33 -22.983 22.687 -9.182 126 HD1 HIS 33 HD1 HIS 33 -25.030 24.693 -11.494 127 HD2 HIS 33 HD2 HIS 33 -25.432 23.009 -7.717 128 HE1 HIS 33 HE1 HIS 33 -27.495 24.729 -11.001 129 HE2 HIS 33 HE2 HIS 33 -27.743 23.700 -8.693 130 H GLY 34 H GLY 34 -21.057 23.662 -7.059 131 HA2 GLY 34 HA2 GLY 34 -18.520 24.270 -8.399 132 HA3 GLY 34 HA3 GLY 34 -18.710 23.789 -6.719 133 HA1 GLY 34 HA1 GLY 34 -19.117 23.767 -8.806 134 H ALA 35 H ALA 35 -19.086 21.571 -6.230 135 HA ALA 35 HA ALA 35 -18.439 19.715 -8.424 136 HB1 ALA 35 HB1 ALA 35 -17.428 18.868 -5.827 137 HB2 ALA 35 HB2 ALA 35 -16.628 18.910 -7.398 138 HB3 ALA 35 HB3 ALA 35 -16.693 20.365 -6.404 139 H ARG 36 H ARG 36 -18.717 17.340 -7.445 140 HA ARG 36 HA ARG 36 -21.435 17.289 -6.321 141 HB2 ARG 36 HB1 ARG 36 -19.945 15.516 -8.219 142 HB3 ARG 36 HB2 ARG 36 -21.238 14.823 -7.229 143 HG2 ARG 36 HG1 ARG 36 -22.883 16.214 -8.193 144 HG3 ARG 36 HG2 ARG 36 -21.657 17.254 -8.939 145 HD2 ARG 36 HD1 ARG 36 -22.144 16.021 -10.779 146 HD3 ARG 36 HD2 ARG 36 -20.971 14.915 -10.050 147 HE ARG 36 HE ARG 36 -23.681 14.462 -9.195 148 HH11 ARG 36 HH11 ARG 36 -21.267 13.744 -11.600 149 HH12 ARG 36 HH12 ARG 36 -21.999 12.248 -12.075 150 HH21 ARG 36 HH21 ARG 36 -24.655 12.494 -9.813 151 HH22 ARG 36 HH22 ARG 36 -23.926 11.538 -11.059 152 H LYS 37 H LYS 37 -18.460 15.315 -6.282 153 HA LYS 37 HA LYS 37 -18.475 15.160 -3.421 154 HB2 LYS 37 HB1 LYS 37 -19.647 12.993 -5.049 155 HB3 LYS 37 HB2 LYS 37 -18.474 12.471 -3.826 156 HG2 LYS 37 HG1 LYS 37 -19.941 14.105 -2.303 157 HG3 LYS 37 HG2 LYS 37 -21.171 13.637 -3.491 158 HD2 LYS 37 HD1 LYS 37 -19.693 11.309 -2.691 159 HD3 LYS 37 HD2 LYS 37 -20.277 12.170 -1.256 160 HE2 LYS 37 HE1 LYS 37 -22.504 12.283 -2.766 161 HE3 LYS 37 HE2 LYS 37 -21.791 10.788 -3.388 162 HZ1 LYS 37 HZ1 LYS 37 -22.224 11.311 -0.501 163 HZ2 LYS 37 HZ2 LYS 37 -21.785 9.845 -1.222 164 HZ3 LYS 37 HZ3 LYS 37 -23.330 10.484 -1.479 165 H GLY 38 H GLY 38 -17.382 12.904 -5.956 166 HA2 GLY 38 HA2 GLY 38 -15.267 12.336 -6.658 167 HA3 GLY 38 HA3 GLY 38 -14.704 13.854 -5.975 168 HA1 GLY 38 HA1 GLY 38 -15.748 12.002 -5.998 169 H SER 39 H SER 39 -13.088 13.495 -4.619 170 HA SER 39 HA SER 39 -11.770 12.555 -3.017 171 HB2 SER 39 HB1 SER 39 -14.392 11.567 -1.855 172 HB3 SER 39 HB2 SER 39 -12.870 11.834 -0.988 173 HG SER 39 HG SER 39 -14.646 13.546 -1.007 174 H GLN 40 H GLN 40 -10.794 11.048 -4.422 175 HA GLN 40 HA GLN 40 -11.853 8.510 -5.020 176 HB2 GLN 40 HB1 GLN 40 -9.333 9.930 -5.388 177 HB3 GLN 40 HB2 GLN 40 -9.096 8.200 -5.086 178 HG2 GLN 40 HG1 GLN 40 -11.179 8.923 -7.062 179 HG3 GLN 40 HG2 GLN 40 -9.497 9.224 -7.519 180 HE21 GLN 40 HE21 GLN 40 -11.923 6.995 -7.550 181 HE22 GLN 40 HE22 GLN 40 -10.988 5.560 -7.778 182 H CYS 41 H CYS 41 -9.303 9.404 -2.689 183 HA CYS 41 HA CYS 41 -10.198 7.210 -0.966 184 HB2 CYS 41 HB1 CYS 41 -8.000 6.348 -0.636 185 HB3 CYS 41 HB2 CYS 41 -8.259 6.446 -2.377 186 H LEU 42 H LEU 42 -9.937 7.564 1.216 187 HA LEU 42 HA LEU 42 -9.331 10.319 1.960 188 HB2 LEU 42 HB1 LEU 42 -11.232 8.417 2.789 189 HB3 LEU 42 HB2 LEU 42 -10.135 8.655 4.161 190 HG LEU 42 HG LEU 42 -11.296 11.048 2.804 191 HD11 LEU 42 HD11 LEU 42 -12.755 9.538 4.958 192 HD12 LEU 42 HD12 LEU 42 -13.145 9.393 3.245 193 HD13 LEU 42 HD13 LEU 42 -13.302 10.951 4.055 194 HD21 LEU 42 HD21 LEU 42 -9.867 10.403 5.249 195 HD22 LEU 42 HD22 LEU 42 -11.328 11.345 5.551 196 HD23 LEU 42 HD23 LEU 42 -10.095 11.957 4.447 197 H SER 43 H SER 43 -8.099 7.091 2.330 198 HA SER 43 HA SER 43 -5.651 8.132 3.464 199 HB2 SER 43 HB1 SER 43 -7.177 7.685 5.431 200 HB3 SER 43 HB2 SER 43 -7.137 5.974 4.975 201 HG SER 43 HG SER 43 -5.206 7.511 6.194 202 H ASP 44 H ASP 44 -3.987 6.391 3.678 203 HA ASP 44 HA ASP 44 -3.717 4.967 1.300 204 HB2 ASP 44 HB1 ASP 44 -2.359 4.166 3.875 205 HB3 ASP 44 HB2 ASP 44 -1.744 4.031 2.222 206 HD2 ASP 44 HD ASP 44 -0.751 7.366 2.159 207 H THR 45 H THR 45 -5.247 4.089 4.293 208 HA THR 45 HA THR 45 -5.267 1.306 4.065 209 HB THR 45 HB THR 45 -7.726 2.554 5.141 210 HG1 THR 45 HG1 THR 45 -6.449 4.113 5.947 211 HG21 THR 45 HG21 THR 45 -7.401 0.989 6.912 212 HG22 THR 45 HG22 THR 45 -5.728 0.704 6.435 213 HG23 THR 45 HG23 THR 45 -7.046 0.145 5.406 214 H ASP 46 H ASP 46 -7.054 3.729 2.359 215 HA ASP 46 HA ASP 46 -9.210 2.107 1.483 216 HB2 ASP 46 HB1 ASP 46 -8.754 4.747 1.403 217 HB3 ASP 46 HB2 ASP 46 -8.259 4.333 -0.244 218 HD2 ASP 46 HD ASP 46 -11.805 2.939 -0.190 219 H CYS 47 H CYS 47 -5.935 2.535 0.408 220 HA CYS 47 HA CYS 47 -6.479 0.867 -1.955 221 HB2 CYS 47 HB1 CYS 47 -4.233 2.794 -1.343 222 HB3 CYS 47 HB2 CYS 47 -4.206 1.690 -2.719 223 H ASN 48 H ASN 48 -6.501 -1.058 -0.662 224 HA ASN 48 HA ASN 48 -4.495 -1.918 1.048 225 HB2 ASN 48 HB1 ASN 48 -6.633 -3.202 -0.539 226 HB3 ASN 48 HB2 ASN 48 -5.289 -4.261 -0.094 227 HD21 ASN 48 HD21 ASN 48 -8.215 -3.737 0.809 228 HD22 ASN 48 HD22 ASN 48 -8.097 -3.810 2.531 229 H THR 49 H THR 49 -4.709 -2.158 -2.468 230 HA THR 49 HA THR 49 -2.560 -3.838 -2.970 231 HB THR 49 HB THR 49 -2.674 -1.657 -4.891 232 HG1 THR 49 HG1 THR 49 -4.827 -1.777 -5.385 233 HG21 THR 49 HG21 THR 49 -3.051 -4.623 -4.855 234 HG22 THR 49 HG22 THR 49 -1.872 -3.653 -5.737 235 HG23 THR 49 HG23 THR 49 -3.552 -3.699 -6.271 236 H ARG 50 H ARG 50 -0.508 -3.010 -4.170 237 HA ARG 50 HA ARG 50 0.992 -1.491 -2.252 238 HB2 ARG 50 HB1 ARG 50 1.929 -2.373 -4.985 239 HB3 ARG 50 HB2 ARG 50 2.912 -2.038 -3.552 240 HG2 ARG 50 HG1 ARG 50 2.866 -4.195 -3.052 241 HG3 ARG 50 HG2 ARG 50 1.119 -4.057 -2.798 242 HD2 ARG 50 HD1 ARG 50 0.596 -4.904 -4.868 243 HD3 ARG 50 HD2 ARG 50 2.105 -4.329 -5.589 244 HE ARG 50 HE ARG 50 1.657 -6.862 -4.314 245 HH11 ARG 50 HH11 ARG 50 4.045 -4.476 -5.169 246 HH12 ARG 50 HH12 ARG 50 5.362 -5.602 -5.163 247 HH21 ARG 50 HH21 ARG 50 3.384 -8.354 -4.303 248 HH22 ARG 50 HH22 ARG 50 4.984 -7.807 -4.671 249 H LYS 51 H LYS 51 -0.459 0.436 -2.569 250 HA LYS 51 HA LYS 51 0.862 2.285 -4.382 251 HB2 LYS 51 HB1 LYS 51 -2.130 1.819 -4.447 252 HB3 LYS 51 HB2 LYS 51 -1.285 3.135 -5.279 253 HG2 LYS 51 HG1 LYS 51 -0.045 1.493 -6.621 254 HG3 LYS 51 HG2 LYS 51 -0.932 0.190 -5.809 255 HD2 LYS 51 HD1 LYS 51 -3.016 0.913 -6.729 256 HD3 LYS 51 HD2 LYS 51 -2.283 2.406 -7.342 257 HE2 LYS 51 HE1 LYS 51 -2.236 1.209 -9.279 258 HE3 LYS 51 HE2 LYS 51 -0.708 0.650 -8.583 259 HZ1 LYS 51 HZ1 LYS 51 -1.946 -1.257 -7.637 260 HZ2 LYS 51 HZ2 LYS 51 -1.932 -1.235 -9.328 261 HZ3 LYS 51 HZ3 LYS 51 -3.319 -0.755 -8.487 262 H PHE 52 H PHE 52 0.641 4.464 -3.783 263 HA PHE 52 HA PHE 52 -0.293 4.832 -1.026 264 HB2 PHE 52 HB1 PHE 52 1.200 6.676 -0.854 265 HB3 PHE 52 HB2 PHE 52 2.095 5.380 -1.650 266 HD1 PHE 52 HD1 PHE 52 0.910 8.754 -1.924 267 HD2 PHE 52 HD2 PHE 52 2.385 5.437 -4.146 268 HE1 PHE 52 HE1 PHE 52 1.450 10.254 -3.799 269 HE2 PHE 52 HE2 PHE 52 2.928 6.932 -6.024 270 HZ PHE 52 HZ PHE 52 2.461 9.344 -5.851 271 H CYS 53 H CYS 53 -1.216 7.006 -0.509 272 HA CYS 53 HA CYS 53 -3.136 7.759 -2.602 273 HB2 CYS 53 HB1 CYS 53 -3.234 7.619 0.362 274 HB3 CYS 53 HB2 CYS 53 -4.118 8.947 -0.387 275 H LEU 54 H LEU 54 -2.053 9.295 -3.765 276 HA LEU 54 HA LEU 54 -0.515 11.373 -2.562 277 HB2 LEU 54 HB1 LEU 54 -0.403 10.366 -4.960 278 HB3 LEU 54 HB2 LEU 54 -1.670 11.552 -5.315 279 HG LEU 54 HG LEU 54 0.737 12.627 -3.994 280 HD11 LEU 54 HD11 LEU 54 1.661 12.702 -6.500 281 HD12 LEU 54 HD12 LEU 54 0.856 11.133 -6.541 282 HD13 LEU 54 HD13 LEU 54 2.113 11.447 -5.346 283 HD21 LEU 54 HD21 LEU 54 -0.643 14.319 -4.625 284 HD22 LEU 54 HD22 LEU 54 -1.289 13.431 -6.005 285 HD23 LEU 54 HD23 LEU 54 0.304 14.181 -6.106 286 H GLN 55 H GLN 55 -1.098 13.365 -1.922 287 HA GLN 55 HA GLN 55 -3.869 14.215 -2.446 288 HB2 GLN 55 HB1 GLN 55 -2.299 14.848 0.057 289 HB3 GLN 55 HB2 GLN 55 -4.019 15.138 -0.243 290 HG2 GLN 55 HG1 GLN 55 -4.225 12.593 -0.486 291 HG3 GLN 55 HG2 GLN 55 -2.626 12.538 0.270 292 HE21 GLN 55 HE21 GLN 55 -2.394 13.110 2.418 293 HE22 GLN 55 HE22 GLN 55 -3.741 13.282 3.485 294 HA PRO 56 HA PRO 56 -1.157 17.461 -4.204 295 HB2 PRO 56 HB1 PRO 56 -2.902 18.134 -6.205 296 HB3 PRO 56 HB2 PRO 56 -1.763 16.793 -6.317 297 HG2 PRO 56 HG1 PRO 56 -4.668 16.764 -5.572 298 HG3 PRO 56 HG2 PRO 56 -3.767 15.674 -6.692 299 HD2 PRO 56 HD1 PRO 56 -4.421 14.957 -4.158 300 HD3 PRO 56 HD2 PRO 56 -2.931 14.417 -4.950 301 H ARG 57 H ARG 57 -1.318 19.700 -4.075 302 HA ARG 57 HA ARG 57 -3.377 20.680 -2.299 303 HB2 ARG 57 HB1 ARG 57 -0.693 21.362 -2.890 304 HB3 ARG 57 HB2 ARG 57 -1.685 22.768 -3.303 305 HG2 ARG 57 HG1 ARG 57 -2.421 23.077 -1.131 306 HG3 ARG 57 HG2 ARG 57 -2.060 21.403 -0.674 307 HD2 ARG 57 HD1 ARG 57 0.256 21.804 -0.546 308 HD3 ARG 57 HD2 ARG 57 0.116 23.316 -1.455 309 HE ARG 57 HE ARG 57 -1.302 23.337 1.047 310 HH11 ARG 57 HH11 ARG 57 1.758 23.884 -0.521 311 HH12 ARG 57 HH12 ARG 57 2.340 24.962 0.703 312 HH21 ARG 57 HH21 ARG 57 -0.546 24.755 2.666 313 HH22 ARG 57 HH22 ARG 57 1.030 25.456 2.517 314 H ASP 58 H ASP 58 -2.591 20.832 -5.681 315 HA ASP 58 HA ASP 58 -4.487 22.977 -6.191 316 HB2 ASP 58 HB1 ASP 58 -2.878 21.317 -8.151 317 HB3 ASP 58 HB2 ASP 58 -3.769 22.800 -8.515 318 HD2 ASP 58 HD ASP 58 -1.340 24.683 -6.668 319 H GLU 59 H GLU 59 -4.369 19.533 -6.208 320 HA GLU 59 HA GLU 59 -7.060 19.464 -7.408 321 HB2 GLU 59 HB1 GLU 59 -4.735 17.580 -7.740 322 HB3 GLU 59 HB2 GLU 59 -6.400 17.043 -8.020 323 HG2 GLU 59 HG1 GLU 59 -6.661 18.866 -9.689 324 HG3 GLU 59 HG2 GLU 59 -4.944 19.239 -9.473 325 HE2 GLU 59 HE GLU 59 -4.417 17.018 -12.043 326 H LYS 60 H LYS 60 -7.989 17.089 -6.838 327 HA LYS 60 HA LYS 60 -8.204 17.112 -3.944 328 HB2 LYS 60 HB1 LYS 60 -9.771 16.024 -6.211 329 HB3 LYS 60 HB2 LYS 60 -9.827 15.088 -4.708 330 HG2 LYS 60 HG1 LYS 60 -10.813 16.828 -3.503 331 HG3 LYS 60 HG2 LYS 60 -10.349 18.037 -4.712 332 HD2 LYS 60 HD1 LYS 60 -11.873 16.416 -6.244 333 HD3 LYS 60 HD2 LYS 60 -12.649 16.185 -4.668 334 HE2 LYS 60 HE1 LYS 60 -13.529 18.258 -4.652 335 HE3 LYS 60 HE2 LYS 60 -12.040 18.979 -5.279 336 HZ1 LYS 60 HZ1 LYS 60 -12.976 17.617 -7.414 337 HZ2 LYS 60 HZ2 LYS 60 -13.216 19.269 -7.137 338 HZ3 LYS 60 HZ3 LYS 60 -14.408 18.154 -6.690 339 HA PRO 61 HA PRO 61 -5.700 13.621 -3.052 340 HB2 PRO 61 HB1 PRO 61 -7.151 12.325 -1.125 341 HB3 PRO 61 HB2 PRO 61 -6.320 13.854 -0.853 342 HG2 PRO 61 HG1 PRO 61 -9.201 13.348 -1.513 343 HG3 PRO 61 HG2 PRO 61 -8.492 14.451 -0.274 344 HD2 PRO 61 HD1 PRO 61 -9.420 15.340 -2.665 345 HD3 PRO 61 HD2 PRO 61 -8.037 16.079 -1.841 346 H PHE 62 H PHE 62 -5.315 11.732 -4.029 347 HA PHE 62 HA PHE 62 -7.467 9.840 -4.506 348 HB2 PHE 62 HB1 PHE 62 -7.154 9.672 -6.871 349 HB3 PHE 62 HB2 PHE 62 -7.418 11.376 -6.494 350 HD1 PHE 62 HD1 PHE 62 -5.321 9.081 -8.165 351 HD2 PHE 62 HD2 PHE 62 -5.301 12.835 -6.158 352 HE1 PHE 62 HE1 PHE 62 -3.227 9.678 -9.311 353 HE2 PHE 62 HE2 PHE 62 -3.207 13.438 -7.301 354 HZ PHE 62 HZ PHE 62 -2.168 11.860 -8.879 355 H CYS 63 H CYS 63 -6.415 7.910 -5.867 356 HA CYS 63 HA CYS 63 -4.054 7.134 -4.327 357 HB2 CYS 63 HB1 CYS 63 -6.274 5.750 -4.653 358 HB3 CYS 63 HB2 CYS 63 -5.505 5.271 -6.168 359 H ALA 64 H ALA 64 -2.090 6.897 -5.194 360 HA ALA 64 HA ALA 64 -1.850 7.080 -8.127 361 HB1 ALA 64 HB1 ALA 64 0.585 7.832 -6.858 362 HB2 ALA 64 HB2 ALA 64 -0.485 8.807 -7.866 363 HB3 ALA 64 HB3 ALA 64 -0.739 8.736 -6.123 364 H THR 65 H THR 65 -0.944 5.403 -9.117 365 HA THR 65 HA THR 65 -0.243 3.035 -7.878 366 HB THR 65 HB THR 65 -0.709 2.971 -10.207 367 HG1 THR 65 HG1 THR 65 2.096 2.544 -10.099 368 HG21 THR 65 HG21 THR 65 1.640 4.838 -10.554 369 HG22 THR 65 HG22 THR 65 -0.060 5.210 -10.843 370 HG23 THR 65 HG23 THR 65 0.779 4.053 -11.877 371 H CYS 66 H CYS 66 1.857 1.955 -7.760 372 HA CYS 66 HA CYS 66 3.728 3.410 -6.272 373 HB2 CYS 66 HB1 CYS 66 3.565 1.027 -6.008 374 HB3 CYS 66 HB2 CYS 66 3.970 0.762 -7.705 375 H ARG 67 H ARG 67 5.666 4.356 -6.751 376 HA ARG 67 HA ARG 67 6.099 5.005 -9.562 377 HB2 ARG 67 HB1 ARG 67 7.175 6.136 -6.978 378 HB3 ARG 67 HB2 ARG 67 7.816 6.609 -8.559 379 HG2 ARG 67 HG1 ARG 67 6.085 7.951 -9.009 380 HG3 ARG 67 HG2 ARG 67 4.908 6.784 -8.384 381 HD2 ARG 67 HD1 ARG 67 4.777 7.814 -6.401 382 HD3 ARG 67 HD2 ARG 67 6.538 7.927 -6.272 383 HE ARG 67 HE ARG 67 6.386 10.099 -6.942 384 HH11 ARG 67 HH11 ARG 67 3.518 8.421 -7.978 385 HH12 ARG 67 HH12 ARG 67 2.747 9.847 -8.591 386 HH21 ARG 67 HH21 ARG 67 5.383 11.983 -7.744 387 HH22 ARG 67 HH22 ARG 67 3.810 11.872 -8.458 388 H GLY 68 H GLY 68 8.685 5.451 -9.865 389 HA2 GLY 68 HA2 GLY 68 9.846 2.773 -9.588 390 HA3 GLY 68 HA3 GLY 68 10.372 4.014 -10.715 391 HA1 GLY 68 HA1 GLY 68 9.659 3.244 -8.867 392 H LEU 69 H LEU 69 12.452 3.072 -9.687 393 HA LEU 69 HA LEU 69 13.106 4.068 -7.068 394 HB2 LEU 69 HB1 LEU 69 14.776 2.784 -9.233 395 HB3 LEU 69 HB2 LEU 69 15.394 3.241 -7.636 396 HG LEU 69 HG LEU 69 13.316 1.141 -8.239 397 HD11 LEU 69 HD11 LEU 69 15.480 0.312 -8.728 398 HD12 LEU 69 HD12 LEU 69 15.044 -0.322 -7.141 399 HD13 LEU 69 HD13 LEU 69 16.163 1.036 -7.273 400 HD21 LEU 69 HD21 LEU 69 12.676 2.215 -6.201 401 HD22 LEU 69 HD22 LEU 69 14.336 2.201 -5.608 402 HD23 LEU 69 HD23 LEU 69 13.451 0.686 -5.788 403 H ARG 70 H ARG 70 13.243 5.260 -10.278 404 HA ARG 70 HA ARG 70 15.293 7.234 -9.704 405 HB2 ARG 70 HB1 ARG 70 13.569 6.763 -12.146 406 HB3 ARG 70 HB2 ARG 70 14.828 8.001 -12.032 407 HG2 ARG 70 HG1 ARG 70 15.805 5.355 -11.308 408 HG3 ARG 70 HG2 ARG 70 15.159 5.431 -12.955 409 HD2 ARG 70 HD1 ARG 70 17.211 7.340 -11.814 410 HD3 ARG 70 HD2 ARG 70 17.577 5.943 -12.837 411 HE ARG 70 HE ARG 70 16.653 8.486 -13.704 412 HH11 ARG 70 HH11 ARG 70 16.444 5.079 -14.392 413 HH12 ARG 70 HH12 ARG 70 16.108 5.307 -16.076 414 HH21 ARG 70 HH21 ARG 70 16.210 8.799 -15.920 415 HH22 ARG 70 HH22 ARG 70 15.976 7.423 -16.944 416 H ARG 71 H ARG 71 11.851 6.967 -9.683 417 HA ARG 71 HA ARG 71 11.074 9.616 -10.046 418 HB2 ARG 71 HB1 ARG 71 9.903 7.175 -9.017 419 HB3 ARG 71 HB2 ARG 71 9.367 8.579 -8.083 420 HG2 ARG 71 HG1 ARG 71 7.839 8.055 -9.933 421 HG3 ARG 71 HG2 ARG 71 8.567 9.664 -10.086 422 HD2 ARG 71 HD1 ARG 71 10.225 8.763 -11.673 423 HD3 ARG 71 HD2 ARG 71 9.465 7.171 -11.529 424 HE ARG 71 HE ARG 71 8.569 9.346 -13.132 425 HH11 ARG 71 HH11 ARG 71 7.473 6.625 -11.257 426 HH12 ARG 71 HH12 ARG 71 6.005 6.429 -12.158 427 HH21 ARG 71 HH21 ARG 71 6.641 9.099 -14.325 428 HH22 ARG 71 HH22 ARG 71 5.534 7.836 -13.904 429 H ARG 72 H ARG 72 11.466 11.402 -8.928 430 HA ARG 72 HA ARG 72 12.932 11.366 -6.494 431 HB2 ARG 72 HB1 ARG 72 11.478 13.621 -7.894 432 HB3 ARG 72 HB2 ARG 72 12.583 13.826 -6.525 433 HG2 ARG 72 HG1 ARG 72 13.444 12.516 -9.094 434 HG3 ARG 72 HG2 ARG 72 13.520 14.267 -8.841 435 HD2 ARG 72 HD1 ARG 72 14.777 12.319 -6.913 436 HD3 ARG 72 HD2 ARG 72 15.629 12.919 -8.342 437 HE ARG 72 HE ARG 72 15.199 14.322 -5.912 438 HH11 ARG 72 HH11 ARG 72 15.427 14.757 -9.358 439 HH12 ARG 72 HH12 ARG 72 15.959 16.403 -9.247 440 HH21 ARG 72 HH21 ARG 72 15.898 16.488 -5.753 441 HH22 ARG 72 HH22 ARG 72 16.227 17.386 -7.196 442 H CYS 73 H CYS 73 12.298 11.711 -4.411 443 HA CYS 73 HA CYS 73 9.497 12.297 -3.844 444 HB2 CYS 73 HB1 CYS 73 9.139 10.397 -2.457 445 HB3 CYS 73 HB2 CYS 73 9.765 9.793 -3.992 446 H GLN 74 H GLN 74 9.134 12.705 -1.506 447 HA GLN 74 HA GLN 74 11.576 13.726 -0.212 448 HB2 GLN 74 HB1 GLN 74 8.997 15.027 -0.799 449 HB3 GLN 74 HB2 GLN 74 9.599 15.275 0.847 450 HG2 GLN 74 HG1 GLN 74 11.584 16.301 0.090 451 HG3 GLN 74 HG2 GLN 74 11.296 15.775 -1.575 452 HE21 GLN 74 HE21 GLN 74 9.677 17.647 0.969 453 HE22 GLN 74 HE22 GLN 74 9.106 18.897 -0.077 454 H ARG 75 H ARG 75 8.438 12.212 0.189 455 HA ARG 75 HA ARG 75 9.246 11.413 2.906 456 HB2 ARG 75 HB1 ARG 75 6.745 11.385 3.421 457 HB3 ARG 75 HB2 ARG 75 7.523 12.970 3.295 458 HG2 ARG 75 HG1 ARG 75 6.656 13.262 1.045 459 HG3 ARG 75 HG2 ARG 75 5.926 11.649 1.111 460 HD2 ARG 75 HD1 ARG 75 4.192 12.330 2.397 461 HD3 ARG 75 HD2 ARG 75 5.205 13.440 3.331 462 HE ARG 75 HE ARG 75 5.029 14.658 0.923 463 HH11 ARG 75 HH11 ARG 75 2.667 13.362 3.129 464 HH12 ARG 75 HH12 ARG 75 1.434 14.492 2.677 465 HH21 ARG 75 HH21 ARG 75 3.413 16.151 0.320 466 HH22 ARG 75 HH22 ARG 75 1.859 16.077 1.078 467 H ASP 76 H ASP 76 8.876 9.309 3.480 468 HA ASP 76 HA ASP 76 8.808 7.351 1.508 469 HB2 ASP 76 HB1 ASP 76 9.418 7.301 4.100 470 HB3 ASP 76 HB2 ASP 76 7.770 6.670 4.218 471 HD2 ASP 76 HD ASP 76 8.813 3.904 2.113 472 H ALA 77 H ALA 77 6.217 9.026 3.076 473 HA ALA 77 HA ALA 77 4.142 7.166 2.543 474 HB1 ALA 77 HB1 ALA 77 3.257 8.590 4.019 475 HB2 ALA 77 HB2 ALA 77 4.358 9.890 3.563 476 HB3 ALA 77 HB3 ALA 77 2.894 9.605 2.624 477 H MET 78 H MET 78 5.655 9.702 0.671 478 HA MET 78 HA MET 78 3.658 9.892 -1.339 479 HB2 MET 78 HB1 MET 78 6.446 10.836 -0.966 480 HB3 MET 78 HB2 MET 78 5.878 10.702 -2.637 481 HG2 MET 78 HG1 MET 78 4.297 12.175 -0.546 482 HG3 MET 78 HG2 MET 78 5.597 12.944 -1.460 483 HE1 MET 78 HE1 MET 78 5.786 13.007 -3.897 484 HE2 MET 78 HE2 MET 78 5.047 11.567 -4.596 485 HE3 MET 78 HE3 MET 78 4.427 13.166 -5.009 486 H CYS 79 H CYS 79 6.380 7.775 -0.811 487 HA CYS 79 HA CYS 79 6.088 6.596 -3.471 488 HB2 CYS 79 HB1 CYS 79 8.320 7.142 -2.074 489 HB3 CYS 79 HB2 CYS 79 8.037 5.490 -1.524 490 H CYS 80 H CYS 80 5.598 4.420 -3.803 491 HA CYS 80 HA CYS 80 3.589 3.302 -2.283 492 HB2 CYS 80 HB1 CYS 80 4.195 1.130 -3.432 493 HB3 CYS 80 HB2 CYS 80 3.900 2.504 -4.499 494 HA PRO 81 HA PRO 81 5.399 1.412 1.240 495 HB2 PRO 81 HB1 PRO 81 3.840 -0.822 1.527 496 HB3 PRO 81 HB2 PRO 81 3.273 0.812 1.870 497 HG2 PRO 81 HG1 PRO 81 2.908 -0.848 -0.601 498 HG3 PRO 81 HG2 PRO 81 1.698 0.144 0.295 499 HD2 PRO 81 HD1 PRO 81 2.887 0.996 -1.994 500 HD3 PRO 81 HD2 PRO 81 2.431 2.098 -0.682 501 H GLY 82 H GLY 82 7.360 0.508 1.224 502 HA2 GLY 82 HA2 GLY 82 8.240 -1.915 1.186 503 HA3 GLY 82 HA3 GLY 82 7.832 -1.817 -0.520 504 HA1 GLY 82 HA1 GLY 82 8.407 -1.072 1.385 505 H THR 83 H THR 83 8.668 1.153 -0.262 506 HA THR 83 HA THR 83 11.559 0.646 -0.534 507 HB THR 83 HB THR 83 11.284 2.927 -1.920 508 HG1 THR 83 HG1 THR 83 8.868 1.511 -2.449 509 HG21 THR 83 HG21 THR 83 11.866 0.303 -2.500 510 HG22 THR 83 HG22 THR 83 11.965 1.650 -3.635 511 HG23 THR 83 HG23 THR 83 10.514 0.649 -3.579 512 H LEU 84 H LEU 84 12.827 2.806 -0.328 513 HA LEU 84 HA LEU 84 11.750 4.350 1.935 514 HB2 LEU 84 HB1 LEU 84 13.629 2.551 2.350 515 HB3 LEU 84 HB2 LEU 84 14.676 3.829 1.707 516 HG LEU 84 HG LEU 84 13.641 5.324 3.521 517 HD11 LEU 84 HD11 LEU 84 12.028 3.144 3.931 518 HD12 LEU 84 HD12 LEU 84 12.272 4.474 5.064 519 HD13 LEU 84 HD13 LEU 84 13.221 2.996 5.222 520 HD21 LEU 84 HD21 LEU 84 15.435 3.013 4.254 521 HD22 LEU 84 HD22 LEU 84 15.234 4.488 5.199 522 HD23 LEU 84 HD23 LEU 84 15.941 4.564 3.585 523 H CYS 85 H CYS 85 11.933 6.510 1.791 524 HA CYS 85 HA CYS 85 12.856 7.652 -0.676 525 HB2 CYS 85 HB1 CYS 85 11.441 8.617 1.758 526 HB3 CYS 85 HB2 CYS 85 12.323 9.820 0.815 527 H VAL 86 H VAL 86 15.007 7.709 -0.967 528 HA VAL 86 HA VAL 86 16.614 9.049 1.105 529 HB VAL 86 HB VAL 86 17.585 6.783 -0.640 530 HG11 VAL 86 HG11 VAL 86 19.485 6.858 1.067 531 HG12 VAL 86 HG12 VAL 86 19.431 8.142 -0.142 532 HG13 VAL 86 HG13 VAL 86 18.869 8.451 1.503 533 HG21 VAL 86 HG21 VAL 86 17.719 6.045 2.053 534 HG22 VAL 86 HG22 VAL 86 16.117 6.751 1.838 535 HG23 VAL 86 HG23 VAL 86 16.630 5.404 0.822 536 H ASN 87 H ASN 87 18.132 10.508 0.406 537 HA ASN 87 HA ASN 87 19.068 12.073 -0.955 538 HB2 ASN 87 HB1 ASN 87 19.830 9.701 -1.954 539 HB3 ASN 87 HB2 ASN 87 18.924 10.310 -3.345 540 HD21 ASN 87 HD21 ASN 87 19.425 12.803 -3.664 541 HD22 ASN 87 HD22 ASN 87 21.112 13.156 -3.773 542 H ASP 88 H ASP 88 16.181 11.962 -0.742 543 HA ASP 88 HA ASP 88 14.362 13.029 -1.599 544 HB2 ASP 88 HB1 ASP 88 16.577 14.515 -2.466 545 HB3 ASP 88 HB2 ASP 88 15.568 14.307 -3.903 546 HD2 ASP 88 HD ASP 88 12.894 16.034 -2.277 547 H VAL 89 H VAL 89 15.340 10.412 -2.653 548 HA VAL 89 HA VAL 89 13.526 10.288 -4.928 549 HB VAL 89 HB VAL 89 15.741 10.684 -5.942 550 HG11 VAL 89 HG11 VAL 89 16.478 8.160 -4.473 551 HG12 VAL 89 HG12 VAL 89 17.425 8.835 -5.800 552 HG13 VAL 89 HG13 VAL 89 17.211 9.756 -4.310 553 HG21 VAL 89 HG21 VAL 89 14.709 7.883 -6.383 554 HG22 VAL 89 HG22 VAL 89 14.042 9.345 -7.111 555 HG23 VAL 89 HG23 VAL 89 15.680 8.828 -7.513 556 H CYS 90 H CYS 90 12.675 8.226 -5.311 557 HA CYS 90 HA CYS 90 12.398 6.573 -3.051 558 HB2 CYS 90 HB1 CYS 90 11.711 6.172 -5.964 559 HB3 CYS 90 HB2 CYS 90 11.339 4.966 -4.731 560 H THR 91 H THR 91 14.076 5.495 -2.222 561 HA THR 91 HA THR 91 15.829 4.004 -4.059 562 HB THR 91 HB THR 91 16.385 4.883 -1.218 563 HG1 THR 91 HG1 THR 91 16.604 6.671 -2.461 564 HG21 THR 91 HG21 THR 91 18.046 3.384 -3.238 565 HG22 THR 91 HG22 THR 91 17.587 2.868 -1.615 566 HG23 THR 91 HG23 THR 91 18.735 4.189 -1.829 567 H THR 92 H THR 92 15.987 1.838 -3.909 568 HA THR 92 HA THR 92 14.031 0.374 -2.491 569 HB THR 92 HB THR 92 16.055 -1.444 -3.133 570 HG1 THR 92 HG1 THR 92 17.177 -0.553 -4.679 571 HG21 THR 92 HG21 THR 92 13.432 -0.619 -4.183 572 HG22 THR 92 HG22 THR 92 14.040 -2.226 -3.786 573 HG23 THR 92 HG23 THR 92 14.459 -1.479 -5.328 574 H MET 93 H MET 93 14.101 -0.759 -0.609 575 HA MET 93 HA MET 93 15.813 0.035 1.437 576 HB2 MET 93 HB1 MET 93 13.654 -1.860 1.084 577 HB3 MET 93 HB2 MET 93 14.915 -2.529 2.130 578 HG2 MET 93 HG1 MET 93 14.523 0.118 2.995 579 HG3 MET 93 HG2 MET 93 12.919 -0.566 2.724 580 HE1 MET 93 HE1 MET 93 16.329 -0.975 4.449 581 HE2 MET 93 HE2 MET 93 15.330 0.052 5.477 582 HE3 MET 93 HE3 MET 93 15.844 -1.536 6.050 583 H GLU 94 H GLU 94 15.939 -2.831 -0.644 584 HA GLU 94 HA GLU 94 18.115 -4.087 0.613 585 HB2 GLU 94 HB1 GLU 94 16.822 -4.259 -2.073 586 HB3 GLU 94 HB2 GLU 94 18.409 -5.014 -1.855 587 HG2 GLU 94 HG1 GLU 94 17.447 -6.241 0.122 588 HG3 GLU 94 HG2 GLU 94 15.863 -5.641 -0.389 589 HE2 GLU 94 HE GLU 94 15.935 -8.709 -2.075 590 H ASP 95 H ASP 95 17.935 -1.480 -1.688 591 HA ASP 95 HA ASP 95 20.749 -1.567 -2.335 592 HB2 ASP 95 HB1 ASP 95 18.411 0.116 -3.125 593 HB3 ASP 95 HB2 ASP 95 20.029 0.805 -3.310 594 HD2 ASP 95 HD ASP 95 19.086 -2.296 -5.607 595 H ALA 96 H ALA 96 18.601 0.369 -0.309 596 HA ALA 96 HA ALA 96 20.402 2.367 0.443 597 HB1 ALA 96 HB1 ALA 96 18.656 1.640 2.622 598 HB2 ALA 96 HB2 ALA 96 18.666 3.095 1.625 599 HB3 ALA 96 HB3 ALA 96 17.785 1.664 1.088 600 H THR 97 H THR 97 20.880 2.517 3.009 601 HA THR 97 HA THR 97 22.236 1.853 4.714 602 HB THR 97 HB THR 97 21.858 -1.028 3.971 603 HG1 THR 97 HG1 THR 97 19.850 -0.857 5.223 604 HG21 THR 97 HG21 THR 97 22.818 -1.286 5.966 605 HG22 THR 97 HG22 THR 97 21.418 -0.509 6.705 606 HG23 THR 97 HG23 THR 97 22.816 0.456 6.232 607 H GLU 98 H GLU 98 24.200 2.574 4.018 608 HA GLU 98 HA GLU 98 26.354 2.487 3.293 609 HB2 GLU 98 HB1 GLU 98 26.057 0.236 4.646 610 HB3 GLU 98 HB2 GLU 98 26.243 -0.486 3.041 611 HG2 GLU 98 HG1 GLU 98 28.351 1.030 2.882 612 HG3 GLU 98 HG2 GLU 98 28.212 1.076 4.645 613 HE2 GLU 98 HE GLU 98 28.878 -2.412 4.824 614 H ASN 99 H ASN 99 26.140 3.433 1.303 615 HA ASN 99 HA ASN 99 26.525 1.715 -0.975 616 HB2 ASN 99 HB1 ASN 99 24.018 1.826 -0.672 617 HB3 ASN 99 HB2 ASN 99 24.131 3.558 -1.008 618 HD21 ASN 99 HD21 ASN 99 22.970 3.520 -2.883 619 HD22 ASN 99 HD22 ASN 99 23.533 2.770 -4.333 620 H LEU 100 H LEU 100 28.520 2.970 -0.742 621 HA LEU 100 HA LEU 100 29.954 4.622 -1.362 622 HB2 LEU 100 HB1 LEU 100 28.147 4.232 -3.457 623 HB3 LEU 100 HB2 LEU 100 28.251 5.989 -3.254 624 HG LEU 100 HG LEU 100 30.877 5.345 -3.258 625 HD11 LEU 100 HD11 LEU 100 31.400 3.610 -4.694 626 HD12 LEU 100 HD12 LEU 100 29.779 3.555 -5.385 627 HD13 LEU 100 HD13 LEU 100 30.064 2.939 -3.757 628 HD21 LEU 100 HD21 LEU 100 30.156 7.088 -4.611 629 HD22 LEU 100 HD22 LEU 100 28.978 6.082 -5.454 630 HD23 LEU 100 HD23 LEU 100 30.701 5.883 -5.776 631 H TYR 101 H TYR 101 27.842 5.142 0.696 632 HA TYR 101 HA TYR 101 26.916 7.780 0.549 633 HB2 TYR 101 HB1 TYR 101 26.686 5.703 2.344 634 HB3 TYR 101 HB2 TYR 101 27.638 6.883 3.247 635 HD1 TYR 101 HD1 TYR 101 24.535 6.683 1.180 636 HD2 TYR 101 HD2 TYR 101 26.561 8.576 4.407 637 HE1 TYR 101 HE1 TYR 101 22.495 7.950 1.709 638 HE2 TYR 101 HE2 TYR 101 24.525 9.848 4.945 639 HH TYR 101 HH TYR 101 22.290 9.994 4.566 640 H PHE 102 H PHE 102 27.674 9.702 1.524 641 HA PHE 102 HA PHE 102 30.595 9.769 1.903 642 HB2 PHE 102 HB1 PHE 102 30.625 11.999 1.007 643 HB3 PHE 102 HB2 PHE 102 29.752 10.963 -0.123 644 HD1 PHE 102 HD1 PHE 102 29.394 13.640 2.360 645 HD2 PHE 102 HD2 PHE 102 27.417 11.252 -0.557 646 HE1 PHE 102 HE1 PHE 102 27.461 15.160 2.430 647 HE2 PHE 102 HE2 PHE 102 25.483 12.769 -0.493 648 HZ PHE 102 HZ PHE 102 25.502 14.727 1.001 649 H GLN 103 H GLN 103 31.393 11.466 3.361 650 HA GLN 103 HA GLN 103 29.577 12.662 5.234 651 HB2 GLN 103 HB1 GLN 103 30.371 10.052 5.785 652 HB3 GLN 103 HB2 GLN 103 31.442 11.056 6.777 653 HG2 GLN 103 HG1 GLN 103 28.908 12.167 7.122 654 HG3 GLN 103 HG2 GLN 103 28.659 10.415 7.150 655 HE21 GLN 103 HE21 GLN 103 29.564 9.188 8.784 656 HE22 GLN 103 HE22 GLN 103 30.218 9.891 10.219 657 H SER 104 H SER 104 30.473 14.630 5.133 658 HA SER 104 HA SER 104 33.154 14.973 6.182 659 HB2 SER 104 HB1 SER 104 33.719 14.751 3.865 660 HB3 SER 104 HB2 SER 104 32.393 15.822 3.383 661 HG SER 104 HG SER 104 34.811 16.489 4.678 662 H LEU 105 H LEU 105 32.866 16.425 7.729 663 HA LEU 105 HA LEU 105 31.706 18.990 7.142 664 HB2 LEU 105 HB1 LEU 105 30.123 16.921 8.386 665 HB3 LEU 105 HB2 LEU 105 30.347 18.292 9.488 666 HG LEU 105 HG LEU 105 29.634 19.509 7.119 667 HD11 LEU 105 HD11 LEU 105 27.600 17.367 7.429 668 HD12 LEU 105 HD12 LEU 105 29.058 17.004 6.505 669 HD13 LEU 105 HD13 LEU 105 28.016 18.342 6.019 670 HD21 LEU 105 HD21 LEU 105 28.235 18.792 9.652 671 HD22 LEU 105 HD22 LEU 105 27.315 19.536 8.343 672 HD23 LEU 105 HD23 LEU 105 28.706 20.374 9.032 673 H GLU 106 H GLU 106 32.794 20.495 8.232 674 HA GLU 106 HA GLU 106 34.615 19.654 10.338 675 HB2 GLU 106 HB1 GLU 106 35.579 21.899 10.128 676 HB3 GLU 106 HB2 GLU 106 35.481 21.085 8.559 677 HG2 GLU 106 HG1 GLU 106 33.562 22.379 7.925 678 HG3 GLU 106 HG2 GLU 106 33.473 23.097 9.540 679 HE2 GLU 106 HE GLU 106 36.253 25.166 8.862 680 H HIS 107 H HIS 107 34.871 21.118 12.256 681 HA HIS 107 HA HIS 107 32.211 21.857 13.276 682 HB2 HIS 107 HB1 HIS 107 33.270 21.574 15.546 683 HB3 HIS 107 HB2 HIS 107 33.122 20.093 14.597 684 HD1 HIS 107 HD1 HIS 107 35.651 22.380 16.074 685 HD2 HIS 107 HD2 HIS 107 35.555 18.998 13.661 686 HE1 HIS 107 HE1 HIS 107 38.015 21.526 16.018 687 HE2 HIS 107 HE2 HIS 107 37.959 19.460 14.544 688 H HIS 108 H HIS 108 31.856 23.970 13.286 689 HA HIS 108 HA HIS 108 33.433 25.810 14.682 690 HB2 HIS 108 HB1 HIS 108 34.611 25.240 12.271 691 HB3 HIS 108 HB2 HIS 108 33.640 26.660 11.874 692 HD1 HIS 108 HD1 HIS 108 36.920 25.976 12.773 693 HD2 HIS 108 HD2 HIS 108 34.120 28.693 14.199 694 HE1 HIS 108 HE1 HIS 108 38.252 27.774 13.921 695 HE2 HIS 108 HE2 HIS 108 36.541 29.435 14.794 696 H HIS 109 H HIS 109 30.691 25.069 14.363 697 HA HIS 109 HA HIS 109 29.401 27.246 12.949 698 HB2 HIS 109 HB1 HIS 109 28.481 24.790 14.394 699 HB3 HIS 109 HB2 HIS 109 27.334 26.108 14.137 700 HD1 HIS 109 HD1 HIS 109 27.070 23.299 12.769 701 HD2 HIS 109 HD2 HIS 109 28.686 26.695 11.005 702 HE1 HIS 109 HE1 HIS 109 26.839 22.942 10.291 703 HE2 HIS 109 HE2 HIS 109 27.826 25.017 9.211 704 H HIS 110 H HIS 110 29.797 29.152 13.970 705 HA HIS 110 HA HIS 110 29.384 29.343 16.854 706 HB2 HIS 110 HB1 HIS 110 31.325 30.424 15.457 707 HB3 HIS 110 HB2 HIS 110 30.125 31.674 15.120 708 HD1 HIS 110 HD1 HIS 110 31.298 29.907 18.293 709 HD2 HIS 110 HD2 HIS 110 30.348 33.697 16.880 710 HE1 HIS 110 HE1 HIS 110 31.666 31.460 20.235 711 HE2 HIS 110 HE2 HIS 110 31.085 33.778 19.374 712 H HIS 111 H HIS 111 28.137 30.733 13.839 713 HA HIS 111 HA HIS 111 26.196 31.810 13.339 714 HB2 HIS 111 HB1 HIS 111 25.173 30.401 15.818 715 HB3 HIS 111 HB2 HIS 111 24.178 31.107 14.542 716 HD1 HIS 111 HD1 HIS 111 24.844 30.006 12.026 717 HD2 HIS 111 HD2 HIS 111 25.464 27.734 15.450 718 HE1 HIS 111 HE1 HIS 111 24.963 27.621 11.238 719 HE2 HIS 111 HE2 HIS 111 25.340 26.231 13.328 720 H HIS 112 H HIS 112 24.333 33.195 14.487 721 HA HIS 112 HA HIS 112 23.856 35.172 15.507 722 HB2 HIS 112 HB1 HIS 112 24.977 33.452 17.487 723 HB3 HIS 112 HB2 HIS 112 25.572 35.088 17.790 724 HD1 HIS 112 HD1 HIS 112 24.145 36.267 19.410 725 HD2 HIS 112 HD2 HIS 112 21.924 33.740 16.971 726 HE1 HIS 112 HE1 HIS 112 21.758 36.539 20.155 727 HE2 HIS 112 HE2 HIS 112 20.400 34.996 18.665 Start of MODEL 28 1 H1 MET 18 H MET 18 -79.251 3.145 -23.109 2 HA MET 18 HA MET 18 -80.180 3.982 -21.172 3 HB2 MET 18 HB1 MET 18 -81.315 1.400 -21.280 4 HB3 MET 18 HB2 MET 18 -80.650 1.587 -19.651 5 HG2 MET 18 HG1 MET 18 -82.100 3.257 -19.080 6 HG3 MET 18 HG2 MET 18 -82.263 3.819 -20.745 7 HE1 MET 18 HE1 MET 18 -85.166 3.229 -18.776 8 HE2 MET 18 HE2 MET 18 -84.540 4.267 -20.058 9 HE3 MET 18 HE3 MET 18 -85.860 3.146 -20.396 10 H LEU 19 H LEU 19 -78.056 1.176 -20.991 11 HA LEU 19 HA LEU 19 -76.831 2.184 -18.542 12 HB2 LEU 19 HB1 LEU 19 -76.955 -0.391 -19.957 13 HB3 LEU 19 HB2 LEU 19 -75.377 -0.010 -19.244 14 HG LEU 19 HG LEU 19 -76.786 -1.391 -17.771 15 HD11 LEU 19 HD11 LEU 19 -76.658 1.194 -16.342 16 HD12 LEU 19 HD12 LEU 19 -75.161 0.607 -17.067 17 HD13 LEU 19 HD13 LEU 19 -76.021 -0.389 -15.893 18 HD21 LEU 19 HD21 LEU 19 -78.817 0.343 -18.589 19 HD22 LEU 19 HD22 LEU 19 -78.558 0.697 -16.880 20 HD23 LEU 19 HD23 LEU 19 -78.930 -0.949 -17.395 21 H VAL 20 H VAL 20 -75.263 3.633 -18.709 22 HA VAL 20 HA VAL 20 -73.549 3.609 -21.098 23 HB VAL 20 HB VAL 20 -72.958 5.914 -20.538 24 HG11 VAL 20 HG11 VAL 20 -75.389 6.855 -20.673 25 HG12 VAL 20 HG12 VAL 20 -74.734 5.905 -22.008 26 HG13 VAL 20 HG13 VAL 20 -75.830 5.155 -20.847 27 HG21 VAL 20 HG21 VAL 20 -74.747 6.808 -18.689 28 HG22 VAL 20 HG22 VAL 20 -74.323 5.226 -18.035 29 HG23 VAL 20 HG23 VAL 20 -73.061 6.417 -18.351 30 H LEU 21 H LEU 21 -71.341 3.516 -20.936 31 HA LEU 21 HA LEU 21 -70.290 2.407 -18.489 32 HB2 LEU 21 HB1 LEU 21 -68.192 2.173 -19.772 33 HB3 LEU 21 HB2 LEU 21 -69.591 1.428 -20.562 34 HG LEU 21 HG LEU 21 -69.535 3.918 -21.710 35 HD11 LEU 21 HD11 LEU 21 -67.373 4.376 -20.604 36 HD12 LEU 21 HD12 LEU 21 -67.263 4.375 -22.364 37 HD13 LEU 21 HD13 LEU 21 -66.680 2.988 -21.443 38 HD21 LEU 21 HD21 LEU 21 -69.730 1.523 -22.651 39 HD22 LEU 21 HD22 LEU 21 -67.982 1.628 -22.859 40 HD23 LEU 21 HD23 LEU 21 -69.040 2.782 -23.675 41 H ASP 22 H ASP 22 -68.557 3.251 -17.280 42 HA ASP 22 HA ASP 22 -67.489 5.857 -17.820 43 HB2 ASP 22 HB1 ASP 22 -68.343 6.901 -15.722 44 HB3 ASP 22 HB2 ASP 22 -69.603 6.593 -16.924 45 HD2 ASP 22 HD ASP 22 -71.012 4.048 -14.939 46 H PHE 23 H PHE 23 -65.718 6.371 -16.509 47 HA PHE 23 HA PHE 23 -64.990 4.982 -14.174 48 HB2 PHE 23 HB1 PHE 23 -64.697 3.340 -16.312 49 HB3 PHE 23 HB2 PHE 23 -63.115 4.122 -16.296 50 HD1 PHE 23 HD1 PHE 23 -61.452 3.048 -15.154 51 HD2 PHE 23 HD2 PHE 23 -65.468 2.637 -13.804 52 HE1 PHE 23 HE1 PHE 23 -60.693 1.536 -13.366 53 HE2 PHE 23 HE2 PHE 23 -64.715 1.126 -12.014 54 HZ PHE 23 HZ PHE 23 -62.325 0.574 -11.792 55 H ASN 24 H ASN 24 -62.468 5.227 -13.835 56 HA ASN 24 HA ASN 24 -61.050 7.228 -15.181 57 HB2 ASN 24 HB1 ASN 24 -63.104 8.241 -13.467 58 HB3 ASN 24 HB2 ASN 24 -61.535 8.633 -12.751 59 HD21 ASN 24 HD21 ASN 24 -61.573 10.792 -13.153 60 HD22 ASN 24 HD22 ASN 24 -61.513 11.471 -14.741 61 H ASN 25 H ASN 25 -58.978 7.467 -14.380 62 HA ASN 25 HA ASN 25 -58.158 6.829 -11.770 63 HB2 ASN 25 HB1 ASN 25 -58.852 4.537 -12.907 64 HB3 ASN 25 HB2 ASN 25 -57.240 4.671 -13.622 65 HD21 ASN 25 HD21 ASN 25 -58.560 5.443 -10.420 66 HD22 ASN 25 HD22 ASN 25 -57.411 4.505 -9.534 67 H ILE 26 H ILE 26 -56.493 8.166 -11.602 68 HA ILE 26 HA ILE 26 -54.399 8.087 -13.651 69 HB ILE 26 HB ILE 26 -54.172 10.591 -13.445 70 HG12 ILE 26 HG11 ILE 26 -57.032 10.823 -12.744 71 HG13 ILE 26 HG12 ILE 26 -55.966 10.350 -11.409 72 HG21 ILE 26 HG21 ILE 26 -55.955 11.054 -15.072 73 HG22 ILE 26 HG22 ILE 26 -55.098 9.556 -15.432 74 HG23 ILE 26 HG23 ILE 26 -56.694 9.501 -14.685 75 HD11 ILE 26 HD11 ILE 26 -54.548 12.396 -12.407 76 HD12 ILE 26 HD12 ILE 26 -56.180 12.917 -12.826 77 HD13 ILE 26 HD13 ILE 26 -55.769 12.571 -11.147 78 H ARG 27 H ARG 27 -52.343 8.338 -12.887 79 HA ARG 27 HA ARG 27 -51.953 9.142 -10.105 80 HB2 ARG 27 HB1 ARG 27 -50.460 7.183 -9.713 81 HB3 ARG 27 HB2 ARG 27 -52.166 6.755 -9.914 82 HG2 ARG 27 HG1 ARG 27 -51.771 6.037 -12.194 83 HG3 ARG 27 HG2 ARG 27 -50.080 6.551 -12.075 84 HD2 ARG 27 HD1 ARG 27 -49.543 4.531 -11.305 85 HD3 ARG 27 HD2 ARG 27 -50.541 4.853 -9.881 86 HE ARG 27 HE ARG 27 -52.133 3.441 -10.721 87 HH11 ARG 27 HH11 ARG 27 -49.931 4.315 -13.271 88 HH12 ARG 27 HH12 ARG 27 -50.598 3.193 -14.410 89 HH21 ARG 27 HH21 ARG 27 -53.021 1.960 -12.211 90 HH22 ARG 27 HH22 ARG 27 -52.356 1.854 -13.806 91 H SER 28 H SER 28 -49.968 10.054 -9.682 92 HA SER 28 HA SER 28 -48.155 10.331 -11.989 93 HB2 SER 28 HB1 SER 28 -48.972 12.484 -11.838 94 HB3 SER 28 HB2 SER 28 -49.229 12.371 -10.089 95 HG SER 28 HG SER 28 -47.430 13.470 -10.019 96 H SER 29 H SER 29 -45.987 10.135 -11.635 97 HA SER 29 HA SER 29 -44.887 10.077 -8.973 98 HB2 SER 29 HB1 SER 29 -45.536 7.585 -10.441 99 HB3 SER 29 HB2 SER 29 -43.916 7.657 -9.724 100 HG SER 29 HG SER 29 -44.802 7.920 -7.723 101 H ALA 30 H ALA 30 -42.712 10.448 -8.959 102 HA ALA 30 HA ALA 30 -40.976 9.942 -11.136 103 HB1 ALA 30 HB1 ALA 30 -42.432 11.895 -11.955 104 HB2 ALA 30 HB2 ALA 30 -41.513 12.873 -10.809 105 HB3 ALA 30 HB3 ALA 30 -40.681 12.034 -12.118 106 H ASP 31 H ASP 31 -38.841 11.177 -10.828 107 HA ASP 31 HA ASP 31 -38.285 12.248 -8.236 108 HB2 ASP 31 HB1 ASP 31 -38.472 9.706 -7.898 109 HB3 ASP 31 HB2 ASP 31 -36.962 9.604 -8.813 110 HD2 ASP 31 HD ASP 31 -35.359 11.479 -6.160 111 H LEU 32 H LEU 32 -36.479 10.311 -10.629 112 HA LEU 32 HA LEU 32 -34.561 10.740 -11.780 113 HB2 LEU 32 HB1 LEU 32 -35.872 13.460 -11.845 114 HB3 LEU 32 HB2 LEU 32 -34.425 13.040 -12.777 115 HG LEU 32 HG LEU 32 -36.760 11.273 -13.157 116 HD11 LEU 32 HD11 LEU 32 -36.733 14.149 -14.037 117 HD12 LEU 32 HD12 LEU 32 -37.971 13.310 -13.101 118 HD13 LEU 32 HD13 LEU 32 -37.727 12.907 -14.800 119 HD21 LEU 32 HD21 LEU 32 -35.774 10.858 -15.136 120 HD22 LEU 32 HD22 LEU 32 -34.355 11.556 -14.356 121 HD23 LEU 32 HD23 LEU 32 -35.363 12.551 -15.407 122 H HIS 33 H HIS 33 -34.201 10.742 -9.032 123 HA HIS 33 HA HIS 33 -31.845 12.422 -8.824 124 HB2 HIS 33 HB1 HIS 33 -34.153 13.433 -7.782 125 HB3 HIS 33 HB2 HIS 33 -33.510 12.551 -6.392 126 HD1 HIS 33 HD1 HIS 33 -31.138 13.304 -5.500 127 HD2 HIS 33 HD2 HIS 33 -32.839 15.801 -8.350 128 HE1 HIS 33 HE1 HIS 33 -29.837 15.452 -5.374 129 HE2 HIS 33 HE2 HIS 33 -30.876 16.980 -7.117 130 H GLY 34 H GLY 34 -30.358 11.717 -7.234 131 HA2 GLY 34 HA2 GLY 34 -30.178 10.159 -5.229 132 HA3 GLY 34 HA3 GLY 34 -30.894 8.968 -6.305 133 HA1 GLY 34 HA1 GLY 34 -29.750 10.685 -5.792 134 H ALA 35 H ALA 35 -28.018 10.479 -5.272 135 HA ALA 35 HA ALA 35 -26.417 8.606 -6.743 136 HB1 ALA 35 HB1 ALA 35 -25.637 9.853 -8.414 137 HB2 ALA 35 HB2 ALA 35 -26.957 10.971 -8.066 138 HB3 ALA 35 HB3 ALA 35 -25.364 11.238 -7.357 139 H ARG 36 H ARG 36 -23.969 9.267 -6.404 140 HA ARG 36 HA ARG 36 -23.686 10.276 -3.650 141 HB2 ARG 36 HB1 ARG 36 -22.561 7.814 -4.943 142 HB3 ARG 36 HB2 ARG 36 -21.663 8.610 -3.642 143 HG2 ARG 36 HG1 ARG 36 -23.083 7.921 -2.038 144 HG3 ARG 36 HG2 ARG 36 -24.504 8.122 -3.076 145 HD2 ARG 36 HD1 ARG 36 -23.303 6.045 -4.326 146 HD3 ARG 36 HD2 ARG 36 -22.779 5.766 -2.658 147 HE ARG 36 HE ARG 36 -24.919 5.161 -2.122 148 HH11 ARG 36 HH11 ARG 36 -24.944 6.853 -5.164 149 HH12 ARG 36 HH12 ARG 36 -26.613 6.518 -5.486 150 HH21 ARG 36 HH21 ARG 36 -27.117 4.712 -2.534 151 HH22 ARG 36 HH22 ARG 36 -27.848 5.301 -3.989 152 H LYS 37 H LYS 37 -21.914 11.544 -3.203 153 HA LYS 37 HA LYS 37 -20.022 12.081 -5.376 154 HB2 LYS 37 HB1 LYS 37 -22.133 13.786 -4.801 155 HB3 LYS 37 HB2 LYS 37 -20.766 14.503 -3.933 156 HG2 LYS 37 HG1 LYS 37 -19.527 14.835 -5.889 157 HG3 LYS 37 HG2 LYS 37 -20.537 13.709 -6.813 158 HD2 LYS 37 HD1 LYS 37 -22.387 15.229 -6.808 159 HD3 LYS 37 HD2 LYS 37 -21.563 16.299 -5.661 160 HE2 LYS 37 HE1 LYS 37 -20.926 17.453 -7.482 161 HE3 LYS 37 HE2 LYS 37 -19.739 16.156 -7.683 162 HZ1 LYS 37 HZ1 LYS 37 -22.379 15.669 -8.805 163 HZ2 LYS 37 HZ2 LYS 37 -20.852 15.274 -9.417 164 HZ3 LYS 37 HZ3 LYS 37 -21.447 16.849 -9.578 165 H GLY 38 H GLY 38 -17.965 12.568 -4.721 166 HA2 GLY 38 HA2 GLY 38 -17.164 13.573 -2.259 167 HA3 GLY 38 HA3 GLY 38 -17.214 11.825 -2.087 168 HA1 GLY 38 HA1 GLY 38 -17.066 13.672 -3.132 169 H SER 39 H SER 39 -14.864 12.322 -1.643 170 HA SER 39 HA SER 39 -13.216 12.968 -3.912 171 HB2 SER 39 HB1 SER 39 -11.974 11.687 -1.539 172 HB3 SER 39 HB2 SER 39 -11.506 13.153 -2.416 173 HG SER 39 HG SER 39 -12.634 13.133 -0.128 174 H GLN 40 H GLN 40 -11.341 11.476 -4.453 175 HA GLN 40 HA GLN 40 -12.407 9.000 -5.378 176 HB2 GLN 40 HB1 GLN 40 -10.063 10.617 -5.841 177 HB3 GLN 40 HB2 GLN 40 -9.607 8.919 -5.634 178 HG2 GLN 40 HG1 GLN 40 -10.143 8.565 -7.750 179 HG3 GLN 40 HG2 GLN 40 -11.830 8.877 -7.317 180 HE21 GLN 40 HE21 GLN 40 -11.983 11.488 -6.888 181 HE22 GLN 40 HE22 GLN 40 -11.537 12.389 -8.292 182 H CYS 41 H CYS 41 -9.774 9.777 -3.103 183 HA CYS 41 HA CYS 41 -10.380 7.294 -1.665 184 HB2 CYS 41 HB1 CYS 41 -7.926 6.872 -1.408 185 HB3 CYS 41 HB2 CYS 41 -8.528 6.666 -3.054 186 H LEU 42 H LEU 42 -9.705 7.282 0.538 187 HA LEU 42 HA LEU 42 -9.436 9.987 1.645 188 HB2 LEU 42 HB1 LEU 42 -11.315 8.239 2.243 189 HB3 LEU 42 HB2 LEU 42 -10.058 7.598 3.316 190 HG LEU 42 HG LEU 42 -10.645 10.503 3.490 191 HD11 LEU 42 HD11 LEU 42 -12.412 8.552 4.920 192 HD12 LEU 42 HD12 LEU 42 -12.850 9.192 3.336 193 HD13 LEU 42 HD13 LEU 42 -12.621 10.290 4.697 194 HD21 LEU 42 HD21 LEU 42 -9.958 8.305 5.433 195 HD22 LEU 42 HD22 LEU 42 -10.324 9.963 5.914 196 HD23 LEU 42 HD23 LEU 42 -8.925 9.629 4.891 197 H SER 43 H SER 43 -7.867 6.906 1.416 198 HA SER 43 HA SER 43 -5.432 7.992 2.477 199 HB2 SER 43 HB1 SER 43 -6.992 7.101 4.446 200 HB3 SER 43 HB2 SER 43 -6.304 5.546 3.947 201 HG SER 43 HG SER 43 -5.079 7.715 5.166 202 H ASP 44 H ASP 44 -3.717 6.177 2.592 203 HA ASP 44 HA ASP 44 -3.450 5.039 0.064 204 HB2 ASP 44 HB1 ASP 44 -1.508 3.909 0.904 205 HB3 ASP 44 HB2 ASP 44 -1.592 5.492 1.689 206 HD2 ASP 44 HD ASP 44 -2.822 3.703 4.645 207 H THR 45 H THR 45 -5.018 3.843 2.918 208 HA THR 45 HA THR 45 -5.087 1.095 2.156 209 HB THR 45 HB THR 45 -7.219 1.336 3.828 210 HG1 THR 45 HG1 THR 45 -5.392 3.285 4.777 211 HG21 THR 45 HG21 THR 45 -4.536 1.405 5.105 212 HG22 THR 45 HG22 THR 45 -4.859 0.120 3.941 213 HG23 THR 45 HG23 THR 45 -5.883 0.299 5.365 214 H ASP 46 H ASP 46 -6.989 3.883 1.384 215 HA ASP 46 HA ASP 46 -9.323 2.477 0.520 216 HB2 ASP 46 HB1 ASP 46 -8.732 5.109 1.055 217 HB3 ASP 46 HB2 ASP 46 -8.833 5.098 -0.710 218 HD2 ASP 46 HD ASP 46 -12.146 4.423 1.355 219 H CYS 47 H CYS 47 -6.306 3.408 -0.947 220 HA CYS 47 HA CYS 47 -7.180 2.970 -3.651 221 HB2 CYS 47 HB1 CYS 47 -4.588 3.598 -2.301 222 HB3 CYS 47 HB2 CYS 47 -4.538 2.925 -3.930 223 H ASN 48 H ASN 48 -4.523 1.358 -1.913 224 HA ASN 48 HA ASN 48 -5.541 -1.250 -2.112 225 HB2 ASN 48 HB1 ASN 48 -4.825 -0.356 -4.594 226 HB3 ASN 48 HB2 ASN 48 -3.330 -1.129 -4.057 227 HD21 ASN 48 HD21 ASN 48 -5.161 -1.934 -6.162 228 HD22 ASN 48 HD22 ASN 48 -5.676 -3.536 -5.768 229 H THR 49 H THR 49 -3.615 -2.905 -1.976 230 HA THR 49 HA THR 49 -2.076 -2.140 0.294 231 HB THR 49 HB THR 49 -2.852 -4.443 0.022 232 HG1 THR 49 HG1 THR 49 -0.583 -5.405 0.216 233 HG21 THR 49 HG21 THR 49 -0.781 -5.031 -2.025 234 HG22 THR 49 HG22 THR 49 -2.273 -4.265 -2.570 235 HG23 THR 49 HG23 THR 49 -2.333 -5.814 -1.729 236 H ARG 50 H ARG 50 -1.495 -2.194 -3.124 237 HA ARG 50 HA ARG 50 1.339 -1.538 -2.651 238 HB2 ARG 50 HB1 ARG 50 0.372 -3.549 -4.205 239 HB3 ARG 50 HB2 ARG 50 0.500 -2.242 -5.390 240 HG2 ARG 50 HG1 ARG 50 2.783 -2.145 -5.273 241 HG3 ARG 50 HG2 ARG 50 2.824 -2.759 -3.612 242 HD2 ARG 50 HD1 ARG 50 2.422 -4.993 -4.314 243 HD3 ARG 50 HD2 ARG 50 1.978 -4.463 -5.941 244 HE ARG 50 HE ARG 50 4.188 -4.492 -6.497 245 HH11 ARG 50 HH11 ARG 50 3.915 -4.321 -3.031 246 HH12 ARG 50 HH12 ARG 50 5.619 -4.487 -2.759 247 HH21 ARG 50 HH21 ARG 50 6.432 -4.712 -6.151 248 HH22 ARG 50 HH22 ARG 50 7.049 -4.708 -4.534 249 H LYS 51 H LYS 51 -0.986 0.273 -2.540 250 HA LYS 51 HA LYS 51 0.073 2.311 -4.315 251 HB2 LYS 51 HB1 LYS 51 -2.792 1.353 -4.439 252 HB3 LYS 51 HB2 LYS 51 -2.256 2.908 -5.094 253 HG2 LYS 51 HG1 LYS 51 -0.572 1.558 -6.469 254 HG3 LYS 51 HG2 LYS 51 -1.549 0.148 -6.022 255 HD2 LYS 51 HD1 LYS 51 -3.555 1.292 -6.954 256 HD3 LYS 51 HD2 LYS 51 -2.496 2.601 -7.503 257 HE2 LYS 51 HE1 LYS 51 -2.362 1.418 -9.415 258 HE3 LYS 51 HE2 LYS 51 -1.211 0.424 -8.509 259 HZ1 LYS 51 HZ1 LYS 51 -2.631 -1.179 -9.216 260 HZ2 LYS 51 HZ2 LYS 51 -3.977 -0.156 -9.254 261 HZ3 LYS 51 HZ3 LYS 51 -3.424 -0.772 -7.778 262 H PHE 52 H PHE 52 -0.414 4.428 -3.661 263 HA PHE 52 HA PHE 52 -1.620 4.619 -0.980 264 HB2 PHE 52 HB1 PHE 52 -0.112 6.387 -0.440 265 HB3 PHE 52 HB2 PHE 52 0.852 5.080 -1.132 266 HD1 PHE 52 HD1 PHE 52 1.645 5.236 -3.492 267 HD2 PHE 52 HD2 PHE 52 -0.157 8.518 -1.468 268 HE1 PHE 52 HE1 PHE 52 2.589 6.778 -5.161 269 HE2 PHE 52 HE2 PHE 52 0.783 10.066 -3.134 270 HZ PHE 52 HZ PHE 52 2.157 9.196 -4.984 271 H CYS 53 H CYS 53 -2.390 6.927 -0.501 272 HA CYS 53 HA CYS 53 -3.981 7.830 -2.802 273 HB2 CYS 53 HB1 CYS 53 -5.272 7.043 -0.866 274 HB3 CYS 53 HB2 CYS 53 -4.462 8.229 0.159 275 H LEU 54 H LEU 54 -3.127 9.535 -3.790 276 HA LEU 54 HA LEU 54 -1.472 11.423 -2.332 277 HB2 LEU 54 HB1 LEU 54 -1.189 10.439 -4.778 278 HB3 LEU 54 HB2 LEU 54 -2.217 11.824 -5.184 279 HG LEU 54 HG LEU 54 0.095 12.489 -3.502 280 HD11 LEU 54 HD11 LEU 54 1.496 11.144 -4.660 281 HD12 LEU 54 HD12 LEU 54 1.412 12.462 -5.828 282 HD13 LEU 54 HD13 LEU 54 0.416 11.024 -6.049 283 HD21 LEU 54 HD21 LEU 54 -1.382 13.588 -5.848 284 HD22 LEU 54 HD22 LEU 54 0.257 14.156 -5.520 285 HD23 LEU 54 HD23 LEU 54 -1.003 14.342 -4.299 286 H GLN 55 H GLN 55 -2.000 13.487 -1.828 287 HA GLN 55 HA GLN 55 -4.528 14.585 -2.814 288 HB2 GLN 55 HB1 GLN 55 -5.014 15.389 -0.454 289 HB3 GLN 55 HB2 GLN 55 -5.247 13.662 -0.761 290 HG2 GLN 55 HG1 GLN 55 -3.546 13.029 0.593 291 HG3 GLN 55 HG2 GLN 55 -2.592 14.476 0.240 292 HE21 GLN 55 HE21 GLN 55 -5.836 13.931 1.573 293 HE22 GLN 55 HE22 GLN 55 -5.594 14.876 3.000 294 HA PRO 56 HA PRO 56 -1.203 17.728 -3.060 295 HB2 PRO 56 HB1 PRO 56 -2.182 18.891 -5.339 296 HB3 PRO 56 HB2 PRO 56 -1.150 17.461 -5.341 297 HG2 PRO 56 HG1 PRO 56 -4.138 17.651 -5.526 298 HG3 PRO 56 HG2 PRO 56 -2.997 16.648 -6.497 299 HD2 PRO 56 HD1 PRO 56 -4.463 15.634 -4.450 300 HD3 PRO 56 HD2 PRO 56 -2.834 15.055 -4.839 301 H ARG 57 H ARG 57 -1.275 19.985 -2.734 302 HA ARG 57 HA ARG 57 -3.674 20.895 -1.402 303 HB2 ARG 57 HB1 ARG 57 -2.336 22.880 -0.821 304 HB3 ARG 57 HB2 ARG 57 -1.518 21.371 -0.388 305 HG2 ARG 57 HG1 ARG 57 -0.506 21.769 -2.865 306 HG3 ARG 57 HG2 ARG 57 -0.759 23.440 -2.332 307 HD2 ARG 57 HD1 ARG 57 0.446 22.802 -0.184 308 HD3 ARG 57 HD2 ARG 57 0.902 21.308 -1.012 309 HE ARG 57 HE ARG 57 1.613 23.441 -2.662 310 HH11 ARG 57 HH11 ARG 57 2.473 22.112 0.438 311 HH12 ARG 57 HH12 ARG 57 4.110 22.674 0.372 312 HH21 ARG 57 HH21 ARG 57 3.767 24.188 -2.761 313 HH22 ARG 57 HH22 ARG 57 4.845 23.855 -1.448 314 H ASP 58 H ASP 58 -1.822 21.718 -4.293 315 HA ASP 58 HA ASP 58 -3.585 23.895 -4.991 316 HB2 ASP 58 HB1 ASP 58 -1.175 22.615 -6.246 317 HB3 ASP 58 HB2 ASP 58 -2.203 23.687 -7.206 318 HD2 ASP 58 HD ASP 58 0.066 25.278 -4.391 319 H GLU 59 H GLU 59 -3.385 20.505 -5.584 320 HA GLU 59 HA GLU 59 -5.480 20.726 -7.642 321 HB2 GLU 59 HB1 GLU 59 -3.057 19.191 -7.536 322 HB3 GLU 59 HB2 GLU 59 -4.445 18.092 -7.590 323 HG2 GLU 59 HG1 GLU 59 -5.258 19.602 -9.539 324 HG3 GLU 59 HG2 GLU 59 -3.564 20.113 -9.601 325 HE2 GLU 59 HE GLU 59 -2.811 16.564 -10.246 326 H LYS 60 H LYS 60 -6.680 18.401 -7.670 327 HA LYS 60 HA LYS 60 -7.941 18.243 -5.044 328 HB2 LYS 60 HB1 LYS 60 -9.651 16.858 -6.261 329 HB3 LYS 60 HB2 LYS 60 -9.482 18.521 -6.846 330 HG2 LYS 60 HG1 LYS 60 -8.738 17.891 -8.873 331 HG3 LYS 60 HG2 LYS 60 -7.805 16.534 -8.217 332 HD2 LYS 60 HD1 LYS 60 -9.907 15.264 -7.901 333 HD3 LYS 60 HD2 LYS 60 -10.793 16.607 -8.643 334 HE2 LYS 60 HE1 LYS 60 -9.439 16.326 -10.707 335 HE3 LYS 60 HE2 LYS 60 -8.659 14.926 -9.956 336 HZ1 LYS 60 HZ1 LYS 60 -11.372 15.193 -11.008 337 HZ2 LYS 60 HZ2 LYS 60 -11.158 14.194 -9.660 338 HZ3 LYS 60 HZ3 LYS 60 -10.305 13.882 -11.088 339 HA PRO 61 HA PRO 61 -6.214 14.372 -3.903 340 HB2 PRO 61 HB1 PRO 61 -8.302 13.222 -2.556 341 HB3 PRO 61 HB2 PRO 61 -7.363 14.573 -1.924 342 HG2 PRO 61 HG1 PRO 61 -10.000 14.593 -3.350 343 HG3 PRO 61 HG2 PRO 61 -9.500 15.486 -1.865 344 HD2 PRO 61 HD1 PRO 61 -9.613 16.659 -4.310 345 HD3 PRO 61 HD2 PRO 61 -8.411 17.108 -3.088 346 H PHE 62 H PHE 62 -5.902 12.429 -4.825 347 HA PHE 62 HA PHE 62 -8.068 10.948 -6.023 348 HB2 PHE 62 HB1 PHE 62 -6.825 10.789 -8.247 349 HB3 PHE 62 HB2 PHE 62 -7.672 12.303 -7.919 350 HD1 PHE 62 HD1 PHE 62 -6.579 14.261 -8.378 351 HD2 PHE 62 HD2 PHE 62 -4.292 10.816 -7.368 352 HE1 PHE 62 HE1 PHE 62 -4.506 15.532 -8.753 353 HE2 PHE 62 HE2 PHE 62 -2.216 12.081 -7.741 354 HZ PHE 62 HZ PHE 62 -2.321 14.442 -8.434 355 H CYS 63 H CYS 63 -7.266 8.857 -6.966 356 HA CYS 63 HA CYS 63 -5.392 7.680 -5.130 357 HB2 CYS 63 HB1 CYS 63 -7.494 6.563 -5.960 358 HB3 CYS 63 HB2 CYS 63 -6.700 6.385 -7.527 359 H ALA 64 H ALA 64 -3.354 6.951 -5.524 360 HA ALA 64 HA ALA 64 -2.223 7.567 -8.177 361 HB1 ALA 64 HB1 ALA 64 -0.636 7.568 -5.627 362 HB2 ALA 64 HB2 ALA 64 -0.212 8.269 -7.190 363 HB3 ALA 64 HB3 ALA 64 -1.480 9.002 -6.210 364 H THR 65 H THR 65 -0.179 6.298 -8.628 365 HA THR 65 HA THR 65 -0.676 3.489 -7.949 366 HB THR 65 HB THR 65 0.798 2.968 -9.877 367 HG1 THR 65 HG1 THR 65 1.717 4.553 -11.032 368 HG21 THR 65 HG21 THR 65 -0.774 3.617 -11.613 369 HG22 THR 65 HG22 THR 65 -1.455 4.860 -10.562 370 HG23 THR 65 HG23 THR 65 -1.649 3.155 -10.155 371 H CYS 66 H CYS 66 1.361 2.101 -7.888 372 HA CYS 66 HA CYS 66 2.912 2.802 -5.689 373 HB2 CYS 66 HB1 CYS 66 2.560 0.488 -6.558 374 HB3 CYS 66 HB2 CYS 66 3.680 0.854 -7.873 375 H ARG 67 H ARG 67 5.035 3.510 -5.440 376 HA ARG 67 HA ARG 67 5.993 5.194 -7.618 377 HB2 ARG 67 HB1 ARG 67 6.806 4.968 -4.714 378 HB3 ARG 67 HB2 ARG 67 7.572 6.063 -5.872 379 HG2 ARG 67 HG1 ARG 67 4.622 6.231 -5.631 380 HG3 ARG 67 HG2 ARG 67 5.587 6.817 -4.264 381 HD2 ARG 67 HD1 ARG 67 6.558 8.517 -5.487 382 HD3 ARG 67 HD2 ARG 67 6.342 7.662 -7.020 383 HE ARG 67 HE ARG 67 3.801 8.200 -6.227 384 HH11 ARG 67 HH11 ARG 67 6.661 10.132 -6.680 385 HH12 ARG 67 HH12 ARG 67 5.785 11.564 -7.112 386 HH21 ARG 67 HH21 ARG 67 2.636 10.078 -6.792 387 HH22 ARG 67 HH22 ARG 67 3.494 11.531 -7.174 388 H GLY 68 H GLY 68 7.681 4.698 -8.866 389 HA2 GLY 68 HA2 GLY 68 9.058 2.188 -8.435 390 HA3 GLY 68 HA3 GLY 68 9.229 3.250 -9.825 391 HA1 GLY 68 HA1 GLY 68 9.065 2.759 -7.763 392 H LEU 69 H LEU 69 11.486 2.180 -8.948 393 HA LEU 69 HA LEU 69 12.806 3.608 -6.886 394 HB2 LEU 69 HB1 LEU 69 13.855 1.977 -9.201 395 HB3 LEU 69 HB2 LEU 69 14.880 2.653 -7.923 396 HG LEU 69 HG LEU 69 12.730 0.563 -7.583 397 HD11 LEU 69 HD11 LEU 69 14.329 -0.940 -7.886 398 HD12 LEU 69 HD12 LEU 69 15.340 -0.166 -6.667 399 HD13 LEU 69 HD13 LEU 69 15.428 0.361 -8.348 400 HD21 LEU 69 HD21 LEU 69 13.756 0.472 -5.240 401 HD22 LEU 69 HD22 LEU 69 12.655 1.801 -5.601 402 HD23 LEU 69 HD23 LEU 69 14.397 2.075 -5.598 403 H ARG 70 H ARG 70 12.277 4.219 -10.261 404 HA ARG 70 HA ARG 70 14.246 6.375 -10.300 405 HB2 ARG 70 HB1 ARG 70 12.464 5.231 -12.462 406 HB3 ARG 70 HB2 ARG 70 13.602 6.565 -12.706 407 HG2 ARG 70 HG1 ARG 70 14.904 4.286 -11.483 408 HG3 ARG 70 HG2 ARG 70 14.120 3.859 -13.013 409 HD2 ARG 70 HD1 ARG 70 15.332 5.529 -14.211 410 HD3 ARG 70 HD2 ARG 70 15.925 6.248 -12.707 411 HE ARG 70 HE ARG 70 17.055 4.036 -14.104 412 HH11 ARG 70 HH11 ARG 70 16.576 5.392 -10.934 413 HH12 ARG 70 HH12 ARG 70 17.967 4.620 -10.250 414 HH21 ARG 70 HH21 ARG 70 18.889 3.012 -13.215 415 HH22 ARG 70 HH22 ARG 70 19.283 3.267 -11.549 416 H ARG 71 H ARG 71 11.431 6.214 -8.942 417 HA ARG 71 HA ARG 71 10.293 8.657 -10.103 418 HB2 ARG 71 HB1 ARG 71 9.191 6.406 -8.472 419 HB3 ARG 71 HB2 ARG 71 8.418 7.994 -8.362 420 HG2 ARG 71 HG1 ARG 71 8.925 6.690 -11.021 421 HG3 ARG 71 HG2 ARG 71 7.488 6.317 -10.054 422 HD2 ARG 71 HD1 ARG 71 7.771 9.148 -10.117 423 HD3 ARG 71 HD2 ARG 71 7.949 8.540 -11.769 424 HE ARG 71 HE ARG 71 5.752 7.239 -10.860 425 HH11 ARG 71 HH11 ARG 71 6.690 10.589 -10.984 426 HH12 ARG 71 HH12 ARG 71 5.068 11.174 -11.137 427 HH21 ARG 71 HH21 ARG 71 3.610 7.996 -11.061 428 HH22 ARG 71 HH22 ARG 71 3.315 9.697 -11.180 429 H ARG 72 H ARG 72 10.131 10.530 -8.971 430 HA ARG 72 HA ARG 72 11.817 10.843 -6.676 431 HB2 ARG 72 HB1 ARG 72 9.898 12.821 -7.931 432 HB3 ARG 72 HB2 ARG 72 11.201 13.200 -6.793 433 HG2 ARG 72 HG1 ARG 72 12.336 11.774 -8.979 434 HG3 ARG 72 HG2 ARG 72 11.311 13.070 -9.618 435 HD2 ARG 72 HD1 ARG 72 13.351 13.522 -7.437 436 HD3 ARG 72 HD2 ARG 72 13.727 13.673 -9.159 437 HE ARG 72 HE ARG 72 12.340 15.564 -7.552 438 HH11 ARG 72 HH11 ARG 72 12.510 14.247 -10.769 439 HH12 ARG 72 HH12 ARG 72 11.889 15.675 -11.528 440 HH21 ARG 72 HH21 ARG 72 11.522 17.451 -8.538 441 HH22 ARG 72 HH22 ARG 72 11.328 17.497 -10.258 442 H CYS 73 H CYS 73 11.204 11.539 -4.594 443 HA CYS 73 HA CYS 73 8.371 11.344 -3.896 444 HB2 CYS 73 HB1 CYS 73 8.995 9.922 -1.902 445 HB3 CYS 73 HB2 CYS 73 9.069 9.112 -3.467 446 H GLN 74 H GLN 74 7.965 12.070 -1.633 447 HA GLN 74 HA GLN 74 9.903 14.152 -0.865 448 HB2 GLN 74 HB1 GLN 74 7.453 14.680 -1.764 449 HB3 GLN 74 HB2 GLN 74 7.042 14.371 -0.069 450 HG2 GLN 74 HG1 GLN 74 7.629 16.436 0.448 451 HG3 GLN 74 HG2 GLN 74 9.285 16.072 -0.059 452 HE21 GLN 74 HE21 GLN 74 6.188 16.603 -1.716 453 HE22 GLN 74 HE22 GLN 74 6.793 17.770 -2.835 454 H ARG 75 H ARG 75 7.757 11.617 0.240 455 HA ARG 75 HA ARG 75 8.997 11.813 2.905 456 HB2 ARG 75 HB1 ARG 75 6.340 12.246 2.377 457 HB3 ARG 75 HB2 ARG 75 6.360 10.530 2.810 458 HG2 ARG 75 HG1 ARG 75 7.858 11.463 4.816 459 HG3 ARG 75 HG2 ARG 75 6.891 12.909 4.479 460 HD2 ARG 75 HD1 ARG 75 4.866 11.829 4.953 461 HD3 ARG 75 HD2 ARG 75 5.594 10.225 4.783 462 HE ARG 75 HE ARG 75 6.922 11.319 6.890 463 HH11 ARG 75 HH11 ARG 75 3.563 10.815 6.122 464 HH12 ARG 75 HH12 ARG 75 3.076 10.639 7.776 465 HH21 ARG 75 HH21 ARG 75 6.293 11.090 9.071 466 HH22 ARG 75 HH22 ARG 75 4.629 10.796 9.453 467 H ASP 76 H ASP 76 8.958 9.731 4.114 468 HA ASP 76 HA ASP 76 10.009 7.644 2.462 469 HB2 ASP 76 HB1 ASP 76 10.949 8.074 4.675 470 HB3 ASP 76 HB2 ASP 76 9.392 7.696 5.424 471 HD2 ASP 76 HD ASP 76 10.875 4.467 3.727 472 H ALA 77 H ALA 77 7.030 8.137 4.288 473 HA ALA 77 HA ALA 77 6.001 5.517 3.795 474 HB1 ALA 77 HB1 ALA 77 4.872 8.050 4.913 475 HB2 ALA 77 HB2 ALA 77 3.802 6.711 4.497 476 HB3 ALA 77 HB3 ALA 77 5.084 6.478 5.685 477 H MET 78 H MET 78 5.931 8.557 2.104 478 HA MET 78 HA MET 78 3.705 8.187 0.464 479 HB2 MET 78 HB1 MET 78 6.142 9.840 0.425 480 HB3 MET 78 HB2 MET 78 5.430 9.535 -1.167 481 HG2 MET 78 HG1 MET 78 3.225 10.319 -0.209 482 HG3 MET 78 HG2 MET 78 4.141 10.856 1.201 483 HE1 MET 78 HE1 MET 78 5.529 11.402 -2.741 484 HE2 MET 78 HE2 MET 78 3.873 10.840 -2.509 485 HE3 MET 78 HE3 MET 78 4.178 12.499 -3.026 486 H CYS 79 H CYS 79 6.950 6.890 0.251 487 HA CYS 79 HA CYS 79 6.530 5.802 -2.396 488 HB2 CYS 79 HB1 CYS 79 8.773 6.255 -0.630 489 HB3 CYS 79 HB2 CYS 79 8.797 4.601 -1.243 490 H CYS 80 H CYS 80 6.524 3.562 -2.896 491 HA CYS 80 HA CYS 80 4.811 1.994 -1.377 492 HB2 CYS 80 HB1 CYS 80 6.609 1.558 -3.685 493 HB3 CYS 80 HB2 CYS 80 6.165 0.107 -2.785 494 HA PRO 81 HA PRO 81 7.170 0.088 1.792 495 HB2 PRO 81 HB1 PRO 81 6.184 -2.468 1.811 496 HB3 PRO 81 HB2 PRO 81 5.274 -1.069 2.379 497 HG2 PRO 81 HG1 PRO 81 5.177 -2.446 -0.283 498 HG3 PRO 81 HG2 PRO 81 3.819 -1.887 0.761 499 HD2 PRO 81 HD1 PRO 81 4.660 -0.501 -1.416 500 HD3 PRO 81 HD2 PRO 81 4.031 0.291 0.039 501 H GLY 82 H GLY 82 9.038 -1.058 2.149 502 HA2 GLY 82 HA2 GLY 82 10.567 -2.842 1.649 503 HA3 GLY 82 HA3 GLY 82 9.997 -2.812 -0.012 504 HA1 GLY 82 HA1 GLY 82 10.550 -1.987 1.866 505 H THR 83 H THR 83 10.127 0.230 0.148 506 HA THR 83 HA THR 83 13.051 0.486 -0.120 507 HB THR 83 HB THR 83 12.675 2.099 -1.957 508 HG1 THR 83 HG1 THR 83 9.985 1.411 -1.437 509 HG21 THR 83 HG21 THR 83 11.218 -0.161 -3.071 510 HG22 THR 83 HG22 THR 83 12.585 -0.662 -2.077 511 HG23 THR 83 HG23 THR 83 12.838 0.428 -3.438 512 H LEU 84 H LEU 84 13.737 2.851 -0.111 513 HA LEU 84 HA LEU 84 12.088 4.397 1.774 514 HB2 LEU 84 HB1 LEU 84 14.743 3.324 2.134 515 HB3 LEU 84 HB2 LEU 84 14.759 5.094 2.239 516 HG LEU 84 HG LEU 84 12.616 3.910 3.811 517 HD11 LEU 84 HD11 LEU 84 13.745 2.153 4.606 518 HD12 LEU 84 HD12 LEU 84 14.674 3.346 5.514 519 HD13 LEU 84 HD13 LEU 84 15.286 2.735 3.977 520 HD21 LEU 84 HD21 LEU 84 13.734 6.267 3.801 521 HD22 LEU 84 HD22 LEU 84 14.905 5.504 4.877 522 HD23 LEU 84 HD23 LEU 84 13.197 5.549 5.321 523 H CYS 85 H CYS 85 12.288 6.675 1.652 524 HA CYS 85 HA CYS 85 12.830 7.623 -1.018 525 HB2 CYS 85 HB1 CYS 85 10.874 8.348 0.424 526 HB3 CYS 85 HB2 CYS 85 12.032 9.270 1.383 527 H VAL 86 H VAL 86 14.965 7.748 -1.468 528 HA VAL 86 HA VAL 86 16.651 9.310 0.380 529 HB VAL 86 HB VAL 86 17.537 7.235 -1.631 530 HG11 VAL 86 HG11 VAL 86 19.745 7.504 -0.651 531 HG12 VAL 86 HG12 VAL 86 19.167 9.041 -1.295 532 HG13 VAL 86 HG13 VAL 86 19.129 8.741 0.443 533 HG21 VAL 86 HG21 VAL 86 17.216 7.141 1.359 534 HG22 VAL 86 HG22 VAL 86 16.485 6.085 0.150 535 HG23 VAL 86 HG23 VAL 86 18.218 5.995 0.468 536 H ASN 87 H ASN 87 17.609 11.116 -0.350 537 HA ASN 87 HA ASN 87 18.043 12.902 -1.692 538 HB2 ASN 87 HB1 ASN 87 19.575 11.078 -2.628 539 HB3 ASN 87 HB2 ASN 87 18.395 10.915 -3.933 540 HD21 ASN 87 HD21 ASN 87 19.998 11.552 -5.420 541 HD22 ASN 87 HD22 ASN 87 20.440 13.213 -5.599 542 H ASP 88 H ASP 88 15.319 12.250 -1.414 543 HA ASP 88 HA ASP 88 13.284 12.817 -2.259 544 HB2 ASP 88 HB1 ASP 88 14.931 14.794 -3.071 545 HB3 ASP 88 HB2 ASP 88 14.402 14.179 -4.643 546 HD2 ASP 88 HD ASP 88 11.902 16.322 -2.547 547 H VAL 89 H VAL 89 14.723 10.397 -3.173 548 HA VAL 89 HA VAL 89 12.968 9.784 -5.417 549 HB VAL 89 HB VAL 89 15.943 9.269 -5.545 550 HG11 VAL 89 HG11 VAL 89 15.421 8.465 -7.840 551 HG12 VAL 89 HG12 VAL 89 14.741 7.456 -6.563 552 HG13 VAL 89 HG13 VAL 89 13.706 8.579 -7.446 553 HG21 VAL 89 HG21 VAL 89 15.893 10.801 -7.474 554 HG22 VAL 89 HG22 VAL 89 14.198 11.149 -7.135 555 HG23 VAL 89 HG23 VAL 89 15.442 11.603 -5.969 556 H CYS 90 H CYS 90 12.304 7.678 -5.478 557 HA CYS 90 HA CYS 90 12.515 6.143 -3.125 558 HB2 CYS 90 HB1 CYS 90 10.881 6.151 -5.351 559 HB3 CYS 90 HB2 CYS 90 11.767 4.633 -5.520 560 H THR 91 H THR 91 14.193 5.005 -2.447 561 HA THR 91 HA THR 91 15.877 3.644 -4.447 562 HB THR 91 HB THR 91 16.814 4.941 -1.880 563 HG1 THR 91 HG1 THR 91 17.499 5.569 -4.573 564 HG21 THR 91 HG21 THR 91 18.276 3.313 -3.956 565 HG22 THR 91 HG22 THR 91 18.114 2.969 -2.234 566 HG23 THR 91 HG23 THR 91 19.086 4.338 -2.773 567 H THR 92 H THR 92 16.412 1.553 -4.050 568 HA THR 92 HA THR 92 14.853 0.050 -2.255 569 HB THR 92 HB THR 92 17.117 -1.504 -2.867 570 HG1 THR 92 HG1 THR 92 17.882 -0.669 -4.644 571 HG21 THR 92 HG21 THR 92 14.322 -1.263 -3.907 572 HG22 THR 92 HG22 THR 92 15.062 -2.564 -2.973 573 HG23 THR 92 HG23 THR 92 15.453 -2.372 -4.682 574 H MET 93 H MET 93 15.253 -0.813 -0.267 575 HA MET 93 HA MET 93 16.953 0.508 1.497 576 HB2 MET 93 HB1 MET 93 14.997 -1.505 1.649 577 HB3 MET 93 HB2 MET 93 16.457 -2.197 2.376 578 HG2 MET 93 HG1 MET 93 16.135 0.468 3.347 579 HG3 MET 93 HG2 MET 93 14.608 -0.400 3.523 580 HE1 MET 93 HE1 MET 93 17.074 0.876 5.126 581 HE2 MET 93 HE2 MET 93 16.476 0.210 6.644 582 HE3 MET 93 HE3 MET 93 18.067 -0.257 6.042 583 H GLU 94 H GLU 94 17.534 -2.219 -0.585 584 HA GLU 94 HA GLU 94 19.842 -3.238 0.675 585 HB2 GLU 94 HB1 GLU 94 18.950 -3.323 -2.214 586 HB3 GLU 94 HB2 GLU 94 20.332 -4.228 -1.578 587 HG2 GLU 94 HG1 GLU 94 18.951 -5.890 -1.107 588 HG3 GLU 94 HG2 GLU 94 18.225 -4.853 0.130 589 HE2 GLU 94 HE GLU 94 16.237 -5.462 -3.233 590 H ASP 95 H ASP 95 19.361 -0.708 -1.728 591 HA ASP 95 HA ASP 95 22.162 -0.294 -2.182 592 HB2 ASP 95 HB1 ASP 95 19.816 0.444 -3.478 593 HB3 ASP 95 HB2 ASP 95 20.444 1.968 -2.840 594 HD2 ASP 95 HD ASP 95 21.974 1.083 -6.097 595 H ALA 96 H ALA 96 19.672 1.203 -0.186 596 HA ALA 96 HA ALA 96 21.143 3.438 0.672 597 HB1 ALA 96 HB1 ALA 96 18.990 3.746 1.267 598 HB2 ALA 96 HB2 ALA 96 18.709 2.029 1.553 599 HB3 ALA 96 HB3 ALA 96 19.523 3.004 2.775 600 H THR 97 H THR 97 20.889 0.156 1.964 601 HA THR 97 HA THR 97 23.104 0.790 3.806 602 HB THR 97 HB THR 97 22.158 -1.378 4.991 603 HG1 THR 97 HG1 THR 97 19.875 -1.448 4.802 604 HG21 THR 97 HG21 THR 97 20.796 0.071 6.448 605 HG22 THR 97 HG22 THR 97 20.891 1.354 5.241 606 HG23 THR 97 HG23 THR 97 22.353 0.800 6.058 607 H GLU 98 H GLU 98 24.795 0.181 2.497 608 HA GLU 98 HA GLU 98 24.813 -2.237 0.989 609 HB2 GLU 98 HB1 GLU 98 26.473 0.064 1.287 610 HB3 GLU 98 HB2 GLU 98 27.474 -1.377 1.530 611 HG2 GLU 98 HG1 GLU 98 25.668 -0.971 -0.850 612 HG3 GLU 98 HG2 GLU 98 27.385 -0.549 -0.818 613 HE2 GLU 98 HE GLU 98 26.376 -4.341 -1.189 614 H ASN 99 H ASN 99 26.338 -4.016 1.317 615 HA ASN 99 HA ASN 99 26.441 -4.760 4.147 616 HB2 ASN 99 HB1 ASN 99 26.879 -6.497 1.702 617 HB3 ASN 99 HB2 ASN 99 26.690 -7.050 3.372 618 HD21 ASN 99 HD21 ASN 99 24.716 -7.454 4.132 619 HD22 ASN 99 HD22 ASN 99 23.242 -7.119 3.295 620 H LEU 100 H LEU 100 28.326 -5.631 5.090 621 HA LEU 100 HA LEU 100 30.825 -5.104 3.628 622 HB2 LEU 100 HB1 LEU 100 30.097 -4.329 6.449 623 HB3 LEU 100 HB2 LEU 100 31.774 -4.428 5.886 624 HG LEU 100 HG LEU 100 29.829 -2.697 4.418 625 HD11 LEU 100 HD11 LEU 100 29.871 -2.331 7.016 626 HD12 LEU 100 HD12 LEU 100 29.931 -0.961 5.907 627 HD13 LEU 100 HD13 LEU 100 31.412 -1.550 6.663 628 HD21 LEU 100 HD21 LEU 100 31.665 -1.822 3.461 629 HD22 LEU 100 HD22 LEU 100 32.429 -3.321 3.988 630 HD23 LEU 100 HD23 LEU 100 32.592 -1.858 4.961 631 H TYR 101 H TYR 101 32.722 -6.220 4.615 632 HA TYR 101 HA TYR 101 31.905 -8.838 5.693 633 HB2 TYR 101 HB1 TYR 101 34.070 -9.662 4.663 634 HB3 TYR 101 HB2 TYR 101 32.803 -9.196 3.526 635 HD1 TYR 101 HD1 TYR 101 36.020 -8.133 4.993 636 HD2 TYR 101 HD2 TYR 101 33.095 -7.395 1.993 637 HE1 TYR 101 HE1 TYR 101 37.570 -6.586 3.871 638 HE2 TYR 101 HE2 TYR 101 34.636 -5.847 0.862 639 HH TYR 101 HH TYR 101 37.929 -5.662 1.607 640 H PHE 102 H PHE 102 32.822 -9.565 7.527 641 HA PHE 102 HA PHE 102 34.513 -7.727 9.003 642 HB2 PHE 102 HB1 PHE 102 32.839 -10.098 9.648 643 HB3 PHE 102 HB2 PHE 102 34.233 -9.804 10.691 644 HD1 PHE 102 HD1 PHE 102 33.893 -8.543 12.569 645 HD2 PHE 102 HD2 PHE 102 31.452 -7.841 9.154 646 HE1 PHE 102 HE1 PHE 102 32.626 -6.850 13.828 647 HE2 PHE 102 HE2 PHE 102 30.182 -6.147 10.406 648 HZ PHE 102 HZ PHE 102 30.768 -5.649 12.745 649 H GLN 103 H GLN 103 36.640 -7.802 8.746 650 HA GLN 103 HA GLN 103 37.978 -10.402 8.767 651 HB2 GLN 103 HB1 GLN 103 37.623 -8.982 6.410 652 HB3 GLN 103 HB2 GLN 103 39.263 -8.549 6.919 653 HG2 GLN 103 HG1 GLN 103 39.822 -10.948 7.095 654 HG3 GLN 103 HG2 GLN 103 38.207 -11.333 6.487 655 HE21 GLN 103 HE21 GLN 103 41.051 -9.391 5.648 656 HE22 GLN 103 HE22 GLN 103 40.971 -9.692 3.949 657 H SER 104 H SER 104 40.390 -10.127 9.035 658 HA SER 104 HA SER 104 42.149 -9.378 10.269 659 HB2 SER 104 HB1 SER 104 40.892 -6.634 9.956 660 HB3 SER 104 HB2 SER 104 42.588 -6.998 10.327 661 HG SER 104 HG SER 104 41.796 -6.547 8.004 662 H LEU 105 H LEU 105 41.885 -10.247 12.251 663 HA LEU 105 HA LEU 105 40.167 -8.824 14.169 664 HB2 LEU 105 HB1 LEU 105 40.663 -11.621 13.617 665 HB3 LEU 105 HB2 LEU 105 40.989 -11.232 15.315 666 HG LEU 105 HG LEU 105 38.548 -10.034 14.865 667 HD11 LEU 105 HD11 LEU 105 38.873 -11.798 12.748 668 HD12 LEU 105 HD12 LEU 105 37.359 -11.095 13.316 669 HD13 LEU 105 HD13 LEU 105 37.872 -12.675 13.904 670 HD21 LEU 105 HD21 LEU 105 37.770 -11.518 16.458 671 HD22 LEU 105 HD22 LEU 105 39.511 -11.549 16.742 672 HD23 LEU 105 HD23 LEU 105 38.741 -12.855 15.839 673 H GLU 106 H GLU 106 40.968 -8.911 16.471 674 HA GLU 106 HA GLU 106 43.357 -7.538 16.737 675 HB2 GLU 106 HB1 GLU 106 41.521 -7.636 18.427 676 HB3 GLU 106 HB2 GLU 106 42.069 -9.263 18.857 677 HG2 GLU 106 HG1 GLU 106 43.488 -8.393 20.310 678 HG3 GLU 106 HG2 GLU 106 44.333 -7.598 18.976 679 HE2 GLU 106 HE GLU 106 42.169 -4.712 19.598 680 H HIS 107 H HIS 107 45.450 -8.076 17.100 681 HA HIS 107 HA HIS 107 46.302 -10.677 17.885 682 HB2 HIS 107 HB1 HIS 107 45.638 -10.661 15.281 683 HB3 HIS 107 HB2 HIS 107 47.301 -10.078 15.152 684 HD1 HIS 107 HD1 HIS 107 45.347 -13.088 16.290 685 HD2 HIS 107 HD2 HIS 107 49.277 -11.969 15.538 686 HE1 HIS 107 HE1 HIS 107 46.681 -15.219 16.370 687 HE2 HIS 107 HE2 HIS 107 49.082 -14.536 15.910 688 H HIS 108 H HIS 108 48.669 -10.855 17.964 689 HA HIS 108 HA HIS 108 49.918 -8.195 18.173 690 HB2 HIS 108 HB1 HIS 108 51.484 -9.343 19.807 691 HB3 HIS 108 HB2 HIS 108 49.816 -9.130 20.350 692 HD1 HIS 108 HD1 HIS 108 51.878 -11.875 18.702 693 HD2 HIS 108 HD2 HIS 108 48.714 -11.386 21.350 694 HE1 HIS 108 HE1 HIS 108 51.297 -14.191 19.490 695 HE2 HIS 108 HE2 HIS 108 49.362 -13.893 21.108 696 H HIS 109 H HIS 109 52.180 -8.028 17.657 697 HA HIS 109 HA HIS 109 52.857 -9.361 15.247 698 HB2 HIS 109 HB1 HIS 109 54.212 -7.397 17.053 699 HB3 HIS 109 HB2 HIS 109 55.175 -8.226 15.825 700 HD1 HIS 109 HD1 HIS 109 55.336 -6.994 13.700 701 HD2 HIS 109 HD2 HIS 109 51.776 -6.176 15.681 702 HE1 HIS 109 HE1 HIS 109 54.142 -5.305 12.268 703 HE2 HIS 109 HE2 HIS 109 51.964 -4.806 13.477 704 H HIS 110 H HIS 110 53.294 -11.481 15.272 705 HA HIS 110 HA HIS 110 54.305 -12.972 17.382 706 HB2 HIS 110 HB1 HIS 110 54.954 -14.649 15.622 707 HB3 HIS 110 HB2 HIS 110 53.275 -14.107 15.550 708 HD1 HIS 110 HD1 HIS 110 56.467 -14.011 13.636 709 HD2 HIS 110 HD2 HIS 110 52.597 -12.536 13.312 710 HE1 HIS 110 HE1 HIS 110 56.256 -13.188 11.269 711 HE2 HIS 110 HE2 HIS 110 53.890 -12.287 11.070 712 H HIS 111 H HIS 111 56.318 -13.570 18.061 713 HA HIS 111 HA HIS 111 58.688 -12.945 16.571 714 HB2 HIS 111 HB1 HIS 111 59.653 -11.324 18.032 715 HB3 HIS 111 HB2 HIS 111 58.048 -10.736 17.588 716 HD1 HIS 111 HD1 HIS 111 59.530 -9.823 20.184 717 HD2 HIS 111 HD2 HIS 111 56.642 -12.803 19.996 718 HE1 HIS 111 HE1 HIS 111 58.573 -9.978 22.504 719 HE2 HIS 111 HE2 HIS 111 56.805 -11.799 22.390 720 H HIS 112 H HIS 112 60.689 -13.433 17.936 721 HA HIS 112 HA HIS 112 60.144 -15.402 20.035 722 HB2 HIS 112 HB1 HIS 112 60.663 -16.221 17.479 723 HB3 HIS 112 HB2 HIS 112 62.288 -16.188 18.173 724 HD1 HIS 112 HD1 HIS 112 62.586 -17.637 20.445 725 HD2 HIS 112 HD2 HIS 112 59.233 -18.459 18.133 726 HE1 HIS 112 HE1 HIS 112 61.775 -19.889 21.214 727 HE2 HIS 112 HE2 HIS 112 59.725 -20.392 19.803 Start of MODEL 29 1 H1 MET 18 H MET 18 -61.499 21.928 39.174 2 HA MET 18 HA MET 18 -59.443 23.925 38.698 3 HB2 MET 18 HB1 MET 18 -59.672 22.754 40.896 4 HB3 MET 18 HB2 MET 18 -59.199 21.253 40.087 5 HG2 MET 18 HG1 MET 18 -57.226 22.007 41.074 6 HG3 MET 18 HG2 MET 18 -57.088 22.488 39.382 7 HE1 MET 18 HE1 MET 18 -55.220 24.906 39.942 8 HE2 MET 18 HE2 MET 18 -56.290 24.281 38.688 9 HE3 MET 18 HE3 MET 18 -56.471 25.941 39.256 10 H LEU 19 H LEU 19 -59.204 23.789 36.442 11 HA LEU 19 HA LEU 19 -58.276 21.240 35.345 12 HB2 LEU 19 HB1 LEU 19 -59.447 23.730 34.229 13 HB3 LEU 19 HB2 LEU 19 -58.285 22.856 33.215 14 HG LEU 19 HG LEU 19 -59.815 20.798 33.730 15 HD11 LEU 19 HD11 LEU 19 -61.596 21.246 34.977 16 HD12 LEU 19 HD12 LEU 19 -62.214 22.206 33.633 17 HD13 LEU 19 HD13 LEU 19 -61.282 22.981 34.913 18 HD21 LEU 19 HD21 LEU 19 -59.502 21.594 31.510 19 HD22 LEU 19 HD22 LEU 19 -60.473 23.033 31.821 20 HD23 LEU 19 HD23 LEU 19 -61.240 21.446 31.769 21 H VAL 20 H VAL 20 -56.167 20.873 35.499 22 HA VAL 20 HA VAL 20 -54.294 23.120 35.457 23 HB VAL 20 HB VAL 20 -53.787 20.206 36.075 24 HG11 VAL 20 HG11 VAL 20 -52.031 22.548 35.761 25 HG12 VAL 20 HG12 VAL 20 -51.734 21.559 37.192 26 HG13 VAL 20 HG13 VAL 20 -51.677 20.830 35.587 27 HG21 VAL 20 HG21 VAL 20 -53.407 22.001 38.279 28 HG22 VAL 20 HG22 VAL 20 -55.037 22.182 37.631 29 HG23 VAL 20 HG23 VAL 20 -54.467 20.597 38.155 30 H LEU 21 H LEU 21 -53.500 23.697 33.551 31 HA LEU 21 HA LEU 21 -53.475 21.869 31.315 32 HB2 LEU 21 HB1 LEU 21 -52.354 24.670 31.459 33 HB3 LEU 21 HB2 LEU 21 -52.765 23.745 30.004 34 HG LEU 21 HG LEU 21 -54.840 24.567 32.022 35 HD11 LEU 21 HD11 LEU 21 -53.699 26.106 29.714 36 HD12 LEU 21 HD12 LEU 21 -53.981 26.640 31.370 37 HD13 LEU 21 HD13 LEU 21 -55.347 26.373 30.287 38 HD21 LEU 21 HD21 LEU 21 -55.895 24.465 29.457 39 HD22 LEU 21 HD22 LEU 21 -56.100 23.263 30.733 40 HD23 LEU 21 HD23 LEU 21 -54.810 23.077 29.543 41 H ASP 22 H ASP 22 -51.601 21.333 30.085 42 HA ASP 22 HA ASP 22 -49.054 21.571 31.533 43 HB2 ASP 22 HB1 ASP 22 -50.099 19.317 31.878 44 HB3 ASP 22 HB2 ASP 22 -49.988 19.061 30.131 45 HD2 ASP 22 HD ASP 22 -46.555 19.122 32.136 46 H PHE 23 H PHE 23 -47.571 22.512 30.313 47 HA PHE 23 HA PHE 23 -47.942 23.130 27.598 48 HB2 PHE 23 HB1 PHE 23 -45.601 23.257 29.477 49 HB3 PHE 23 HB2 PHE 23 -45.371 23.590 27.758 50 HD1 PHE 23 HD1 PHE 23 -45.619 25.740 26.984 51 HD2 PHE 23 HD2 PHE 23 -47.583 24.597 30.583 52 HE1 PHE 23 HE1 PHE 23 -46.371 28.060 27.307 53 HE2 PHE 23 HE2 PHE 23 -48.339 26.915 30.911 54 HZ PHE 23 HZ PHE 23 -47.734 28.651 29.271 55 H ASN 24 H ASN 24 -47.460 22.087 25.764 56 HA ASN 24 HA ASN 24 -46.399 19.387 25.963 57 HB2 ASN 24 HB1 ASN 24 -48.236 20.762 24.233 58 HB3 ASN 24 HB2 ASN 24 -46.938 20.056 23.262 59 HD21 ASN 24 HD21 ASN 24 -47.314 18.091 22.575 60 HD22 ASN 24 HD22 ASN 24 -48.288 16.899 23.361 61 H ASN 25 H ASN 25 -45.456 22.534 24.836 62 HA ASN 25 HA ASN 25 -43.543 23.349 23.913 63 HB2 ASN 25 HB1 ASN 25 -42.419 20.876 25.252 64 HB3 ASN 25 HB2 ASN 25 -41.431 22.175 24.574 65 HD21 ASN 25 HD21 ASN 25 -42.799 21.030 27.338 66 HD22 ASN 25 HD22 ASN 25 -42.796 22.479 28.281 67 H ILE 26 H ILE 26 -44.283 23.038 21.763 68 HA ILE 26 HA ILE 26 -43.847 20.640 20.311 69 HB ILE 26 HB ILE 26 -44.352 21.932 18.317 70 HG12 ILE 26 HG11 ILE 26 -44.999 24.480 19.162 71 HG13 ILE 26 HG12 ILE 26 -43.484 24.150 20.021 72 HG21 ILE 26 HG21 ILE 26 -46.057 21.426 20.343 73 HG22 ILE 26 HG22 ILE 26 -46.261 23.170 20.185 74 HG23 ILE 26 HG23 ILE 26 -46.547 22.121 18.797 75 HD11 ILE 26 HD11 ILE 26 -43.823 24.947 17.339 76 HD12 ILE 26 HD12 ILE 26 -42.325 24.580 18.194 77 HD13 ILE 26 HD13 ILE 26 -43.179 23.305 17.325 78 H ARG 27 H ARG 27 -42.138 19.933 19.171 79 HA ARG 27 HA ARG 27 -39.642 21.400 19.432 80 HB2 ARG 27 HB1 ARG 27 -40.313 18.626 18.436 81 HB3 ARG 27 HB2 ARG 27 -38.679 19.303 18.388 82 HG2 ARG 27 HG1 ARG 27 -39.388 19.742 20.994 83 HG3 ARG 27 HG2 ARG 27 -40.185 18.201 20.633 84 HD2 ARG 27 HD1 ARG 27 -38.147 17.392 21.267 85 HD3 ARG 27 HD2 ARG 27 -37.826 17.659 19.548 86 HE ARG 27 HE ARG 27 -37.142 20.019 20.743 87 HH11 ARG 27 HH11 ARG 27 -36.219 16.686 21.145 88 HH12 ARG 27 HH12 ARG 27 -34.613 17.060 21.679 89 HH21 ARG 27 HH21 ARG 27 -35.030 20.523 21.445 90 HH22 ARG 27 HH22 ARG 27 -33.939 19.242 21.850 91 H SER 28 H SER 28 -38.176 21.593 17.569 92 HA SER 28 HA SER 28 -39.631 21.965 15.035 93 HB2 SER 28 HB1 SER 28 -37.614 23.804 16.346 94 HB3 SER 28 HB2 SER 28 -38.072 23.930 14.637 95 HG SER 28 HG SER 28 -39.296 25.064 16.593 96 H SER 29 H SER 29 -38.795 20.872 13.392 97 HA SER 29 HA SER 29 -36.445 19.312 13.665 98 HB2 SER 29 HB1 SER 29 -38.644 19.287 11.991 99 HB3 SER 29 HB2 SER 29 -37.326 19.771 10.909 100 HG SER 29 HG SER 29 -37.506 17.504 11.012 101 H ALA 30 H ALA 30 -34.554 19.398 12.264 102 HA ALA 30 HA ALA 30 -33.673 22.166 11.881 103 HB1 ALA 30 HB1 ALA 30 -31.722 19.984 11.551 104 HB2 ALA 30 HB2 ALA 30 -31.592 21.506 12.436 105 HB3 ALA 30 HB3 ALA 30 -32.437 20.136 13.157 106 H ASP 31 H ASP 31 -34.001 19.100 10.170 107 HA ASP 31 HA ASP 31 -33.875 18.547 7.964 108 HB2 ASP 31 HB1 ASP 31 -35.678 20.494 8.146 109 HB3 ASP 31 HB2 ASP 31 -34.488 21.355 7.164 110 HD2 ASP 31 HD ASP 31 -35.753 18.055 5.385 111 H LEU 32 H LEU 32 -31.424 19.256 9.128 112 HA LEU 32 HA LEU 32 -30.028 20.931 7.203 113 HB2 LEU 32 HB1 LEU 32 -29.697 20.459 9.893 114 HB3 LEU 32 HB2 LEU 32 -28.411 19.486 9.160 115 HG LEU 32 HG LEU 32 -27.594 21.685 9.812 116 HD11 LEU 32 HD11 LEU 32 -26.206 21.618 8.083 117 HD12 LEU 32 HD12 LEU 32 -27.462 22.192 6.986 118 HD13 LEU 32 HD13 LEU 32 -27.298 20.467 7.312 119 HD21 LEU 32 HD21 LEU 32 -29.168 23.057 7.712 120 HD22 LEU 32 HD22 LEU 32 -28.550 23.664 9.248 121 HD23 LEU 32 HD23 LEU 32 -30.001 22.662 9.216 122 H HIS 33 H HIS 33 -29.519 20.014 5.325 123 HA HIS 33 HA HIS 33 -29.218 17.225 4.934 124 HB2 HIS 33 HB1 HIS 33 -29.556 19.427 3.302 125 HB3 HIS 33 HB2 HIS 33 -27.904 18.917 2.937 126 HD1 HIS 33 HD1 HIS 33 -28.175 15.884 3.034 127 HD2 HIS 33 HD2 HIS 33 -30.944 18.380 1.199 128 HE1 HIS 33 HE1 HIS 33 -29.365 14.445 1.348 129 HE2 HIS 33 HE2 HIS 33 -31.058 15.970 0.227 130 H GLY 34 H GLY 34 -27.545 15.964 5.396 131 HA2 GLY 34 HA2 GLY 34 -25.092 17.036 6.392 132 HA3 GLY 34 HA3 GLY 34 -25.445 15.338 6.109 133 HA1 GLY 34 HA1 GLY 34 -25.371 17.411 5.644 134 H ALA 35 H ALA 35 -23.943 14.499 4.832 135 HA ALA 35 HA ALA 35 -23.390 15.775 2.274 136 HB1 ALA 35 HB1 ALA 35 -21.695 16.542 4.042 137 HB2 ALA 35 HB2 ALA 35 -21.055 14.901 3.938 138 HB3 ALA 35 HB3 ALA 35 -21.076 15.932 2.507 139 H ARG 36 H ARG 36 -22.240 14.341 0.779 140 HA ARG 36 HA ARG 36 -21.942 11.565 1.452 141 HB2 ARG 36 HB1 ARG 36 -23.627 10.668 -0.021 142 HB3 ARG 36 HB2 ARG 36 -24.399 11.760 1.139 143 HG2 ARG 36 HG1 ARG 36 -24.341 13.551 -0.608 144 HG3 ARG 36 HG2 ARG 36 -23.781 12.318 -1.751 145 HD2 ARG 36 HD1 ARG 36 -26.010 11.177 -0.502 146 HD3 ARG 36 HD2 ARG 36 -26.453 12.862 -0.798 147 HE ARG 36 HE ARG 36 -26.040 10.809 -2.772 148 HH11 ARG 36 HH11 ARG 36 -26.113 14.235 -2.159 149 HH12 ARG 36 HH12 ARG 36 -26.443 14.654 -3.807 150 HH21 ARG 36 HH21 ARG 36 -26.474 11.349 -4.945 151 HH22 ARG 36 HH22 ARG 36 -26.649 13.013 -5.391 152 H LYS 37 H LYS 37 -20.629 10.507 0.030 153 HA LYS 37 HA LYS 37 -19.030 10.280 -1.574 154 HB2 LYS 37 HB1 LYS 37 -21.230 10.247 -2.896 155 HB3 LYS 37 HB2 LYS 37 -20.822 11.904 -3.369 156 HG2 LYS 37 HG1 LYS 37 -20.007 10.673 -5.143 157 HG3 LYS 37 HG2 LYS 37 -18.570 10.882 -4.127 158 HD2 LYS 37 HD1 LYS 37 -18.901 8.659 -3.158 159 HD3 LYS 37 HD2 LYS 37 -20.359 8.449 -4.145 160 HE2 LYS 37 HE1 LYS 37 -18.644 9.037 -6.109 161 HE3 LYS 37 HE2 LYS 37 -17.500 8.365 -4.937 162 HZ1 LYS 37 HZ1 LYS 37 -18.497 6.302 -5.007 163 HZ2 LYS 37 HZ2 LYS 37 -18.637 6.802 -6.616 164 HZ3 LYS 37 HZ3 LYS 37 -19.972 6.898 -5.582 165 H GLY 38 H GLY 38 -17.805 11.837 -0.162 166 HA2 GLY 38 HA2 GLY 38 -17.314 14.377 -1.586 167 HA3 GLY 38 HA3 GLY 38 -17.052 14.140 0.136 168 HA1 GLY 38 HA1 GLY 38 -17.108 13.586 -1.916 169 H SER 39 H SER 39 -15.414 14.689 -2.532 170 HA SER 39 HA SER 39 -13.266 14.384 -3.218 171 HB2 SER 39 HB1 SER 39 -12.889 13.294 -0.409 172 HB3 SER 39 HB2 SER 39 -11.595 13.803 -1.509 173 HG SER 39 HG SER 39 -12.668 15.329 0.197 174 H GLN 40 H GLN 40 -11.390 12.522 -3.027 175 HA GLN 40 HA GLN 40 -12.737 10.123 -4.030 176 HB2 GLN 40 HB1 GLN 40 -10.376 11.593 -4.781 177 HB3 GLN 40 HB2 GLN 40 -9.959 9.906 -4.439 178 HG2 GLN 40 HG1 GLN 40 -10.660 9.351 -6.460 179 HG3 GLN 40 HG2 GLN 40 -12.295 9.823 -5.981 180 HE21 GLN 40 HE21 GLN 40 -10.831 10.037 -8.554 181 HE22 GLN 40 HE22 GLN 40 -10.960 11.699 -9.010 182 H CYS 41 H CYS 41 -9.643 10.665 -2.348 183 HA CYS 41 HA CYS 41 -10.386 8.538 -0.456 184 HB2 CYS 41 HB1 CYS 41 -8.124 7.640 -0.539 185 HB3 CYS 41 HB2 CYS 41 -8.853 7.611 -2.144 186 H LEU 42 H LEU 42 -9.552 8.729 1.632 187 HA LEU 42 HA LEU 42 -8.606 11.426 2.298 188 HB2 LEU 42 HB1 LEU 42 -10.425 9.525 3.528 189 HB3 LEU 42 HB2 LEU 42 -9.188 10.090 4.664 190 HG LEU 42 HG LEU 42 -9.859 12.414 4.227 191 HD11 LEU 42 HD11 LEU 42 -10.673 12.141 1.947 192 HD12 LEU 42 HD12 LEU 42 -11.904 12.875 2.974 193 HD13 LEU 42 HD13 LEU 42 -12.023 11.171 2.535 194 HD21 LEU 42 HD21 LEU 42 -12.397 11.011 4.886 195 HD22 LEU 42 HD22 LEU 42 -11.615 12.371 5.691 196 HD23 LEU 42 HD23 LEU 42 -10.992 10.736 5.914 197 H SER 43 H SER 43 -7.717 8.081 2.372 198 HA SER 43 HA SER 43 -5.030 8.791 3.178 199 HB2 SER 43 HB1 SER 43 -6.868 7.803 5.109 200 HB3 SER 43 HB2 SER 43 -5.720 6.500 4.757 201 HG SER 43 HG SER 43 -5.325 8.820 6.116 202 H ASP 44 H ASP 44 -3.536 6.928 2.995 203 HA ASP 44 HA ASP 44 -3.788 5.630 0.550 204 HB2 ASP 44 HB1 ASP 44 -2.082 4.943 2.956 205 HB3 ASP 44 HB2 ASP 44 -1.906 4.174 1.373 206 HD2 ASP 44 HD ASP 44 -1.182 8.007 0.977 207 H THR 45 H THR 45 -4.968 4.737 3.681 208 HA THR 45 HA THR 45 -5.336 1.964 3.190 209 HB THR 45 HB THR 45 -7.267 3.146 5.040 210 HG1 THR 45 HG1 THR 45 -5.548 3.750 6.539 211 HG21 THR 45 HG21 THR 45 -6.803 0.820 5.175 212 HG22 THR 45 HG22 THR 45 -6.062 1.553 6.596 213 HG23 THR 45 HG23 THR 45 -5.063 1.099 5.217 214 H ASP 46 H ASP 46 -7.120 4.802 2.339 215 HA ASP 46 HA ASP 46 -9.529 3.298 1.694 216 HB2 ASP 46 HB1 ASP 46 -8.930 6.022 2.323 217 HB3 ASP 46 HB2 ASP 46 -9.664 5.970 0.714 218 HD2 ASP 46 HD ASP 46 -11.904 4.668 3.730 219 H CYS 47 H CYS 47 -6.719 3.347 0.273 220 HA CYS 47 HA CYS 47 -7.754 3.746 -2.454 221 HB2 CYS 47 HB1 CYS 47 -5.654 5.000 -1.506 222 HB3 CYS 47 HB2 CYS 47 -4.835 3.472 -1.831 223 H ASN 48 H ASN 48 -6.395 1.461 -0.234 224 HA ASN 48 HA ASN 48 -6.102 -0.792 -0.330 225 HB2 ASN 48 HB1 ASN 48 -8.298 -0.219 -2.063 226 HB3 ASN 48 HB2 ASN 48 -7.321 -1.489 -2.812 227 HD21 ASN 48 HD21 ASN 48 -9.976 -1.243 -1.205 228 HD22 ASN 48 HD22 ASN 48 -9.897 -2.605 -0.145 229 H THR 49 H THR 49 -5.178 -2.589 -1.750 230 HA THR 49 HA THR 49 -3.433 -3.375 -2.982 231 HB THR 49 HB THR 49 -3.298 -1.178 -4.912 232 HG1 THR 49 HG1 THR 49 -5.406 -1.486 -5.699 233 HG21 THR 49 HG21 THR 49 -2.902 -2.876 -6.324 234 HG22 THR 49 HG22 THR 49 -4.314 -3.777 -5.774 235 HG23 THR 49 HG23 THR 49 -2.800 -3.879 -4.877 236 H ARG 50 H ARG 50 -1.328 -2.362 -4.267 237 HA ARG 50 HA ARG 50 0.135 -1.051 -2.139 238 HB2 ARG 50 HB1 ARG 50 2.111 -1.427 -3.613 239 HB3 ARG 50 HB2 ARG 50 1.221 -2.906 -3.216 240 HG2 ARG 50 HG1 ARG 50 0.326 -1.611 -5.688 241 HG3 ARG 50 HG2 ARG 50 2.007 -2.171 -5.716 242 HD2 ARG 50 HD1 ARG 50 0.934 -4.348 -4.645 243 HD3 ARG 50 HD2 ARG 50 -0.511 -3.733 -5.458 244 HE ARG 50 HE ARG 50 0.402 -4.341 -7.462 245 HH11 ARG 50 HH11 ARG 50 2.920 -4.229 -5.061 246 HH12 ARG 50 HH12 ARG 50 4.127 -4.902 -6.106 247 HH21 ARG 50 HH21 ARG 50 1.982 -5.228 -8.848 248 HH22 ARG 50 HH22 ARG 50 3.592 -5.469 -8.261 249 H LYS 51 H LYS 51 -1.513 0.821 -2.737 250 HA LYS 51 HA LYS 51 0.009 2.701 -4.408 251 HB2 LYS 51 HB1 LYS 51 -3.008 2.428 -4.357 252 HB3 LYS 51 HB2 LYS 51 -2.094 3.655 -5.250 253 HG2 LYS 51 HG1 LYS 51 -1.020 1.854 -6.570 254 HG3 LYS 51 HG2 LYS 51 -2.057 0.684 -5.734 255 HD2 LYS 51 HD1 LYS 51 -4.048 1.696 -6.634 256 HD3 LYS 51 HD2 LYS 51 -3.100 3.021 -7.331 257 HE2 LYS 51 HE1 LYS 51 -2.678 1.842 -9.179 258 HE3 LYS 51 HE2 LYS 51 -2.063 0.491 -8.216 259 HZ1 LYS 51 HZ1 LYS 51 -4.770 0.358 -7.897 260 HZ2 LYS 51 HZ2 LYS 51 -3.839 -0.616 -8.920 261 HZ3 LYS 51 HZ3 LYS 51 -4.585 0.777 -9.526 262 H PHE 52 H PHE 52 -0.583 4.999 -3.948 263 HA PHE 52 HA PHE 52 -1.201 5.327 -1.085 264 HB2 PHE 52 HB1 PHE 52 0.184 7.431 -1.249 265 HB3 PHE 52 HB2 PHE 52 1.082 5.923 -1.430 266 HD1 PHE 52 HD1 PHE 52 -0.601 8.526 -3.495 267 HD2 PHE 52 HD2 PHE 52 2.531 5.657 -3.203 268 HE1 PHE 52 HE1 PHE 52 0.307 9.302 -5.646 269 HE2 PHE 52 HE2 PHE 52 3.445 6.431 -5.352 270 HZ PHE 52 HZ PHE 52 2.334 8.256 -6.576 271 H CYS 53 H CYS 53 -2.089 7.501 -0.519 272 HA CYS 53 HA CYS 53 -4.160 8.215 -2.463 273 HB2 CYS 53 HB1 CYS 53 -4.908 7.580 -0.217 274 HB3 CYS 53 HB2 CYS 53 -3.919 8.863 0.483 275 H LEU 54 H LEU 54 -3.114 9.603 -3.853 276 HA LEU 54 HA LEU 54 -1.531 11.800 -2.880 277 HB2 LEU 54 HB1 LEU 54 -1.479 10.446 -5.173 278 HB3 LEU 54 HB2 LEU 54 -2.569 11.754 -5.661 279 HG LEU 54 HG LEU 54 -0.254 12.213 -6.298 280 HD11 LEU 54 HD11 LEU 54 -0.053 14.444 -5.196 281 HD12 LEU 54 HD12 LEU 54 -1.406 13.991 -4.159 282 HD13 LEU 54 HD13 LEU 54 -1.636 14.116 -5.903 283 HD21 LEU 54 HD21 LEU 54 0.448 11.022 -3.964 284 HD22 LEU 54 HD22 LEU 54 0.642 12.726 -3.549 285 HD23 LEU 54 HD23 LEU 54 1.515 12.047 -4.924 286 H GLN 55 H GLN 55 -2.468 13.484 -1.933 287 HA GLN 55 HA GLN 55 -4.922 14.573 -3.142 288 HB2 GLN 55 HB1 GLN 55 -5.479 15.388 -0.800 289 HB3 GLN 55 HB2 GLN 55 -5.637 13.649 -1.089 290 HG2 GLN 55 HG1 GLN 55 -3.951 13.103 0.314 291 HG3 GLN 55 HG2 GLN 55 -3.027 14.563 -0.068 292 HE21 GLN 55 HE21 GLN 55 -4.784 13.032 2.266 293 HE22 GLN 55 HE22 GLN 55 -5.157 14.385 3.274 294 HA PRO 56 HA PRO 56 -1.739 17.858 -3.379 295 HB2 PRO 56 HB1 PRO 56 -2.731 18.946 -5.691 296 HB3 PRO 56 HB2 PRO 56 -1.636 17.564 -5.656 297 HG2 PRO 56 HG1 PRO 56 -4.626 17.617 -5.891 298 HG3 PRO 56 HG2 PRO 56 -3.426 16.654 -6.829 299 HD2 PRO 56 HD1 PRO 56 -4.879 15.603 -4.792 300 HD3 PRO 56 HD2 PRO 56 -3.219 15.091 -5.148 301 H ARG 57 H ARG 57 -1.924 20.132 -3.134 302 HA ARG 57 HA ARG 57 -4.363 20.945 -1.814 303 HB2 ARG 57 HB1 ARG 57 -1.717 21.543 -1.435 304 HB3 ARG 57 HB2 ARG 57 -2.302 22.988 -2.270 305 HG2 ARG 57 HG1 ARG 57 -4.141 23.131 -0.566 306 HG3 ARG 57 HG2 ARG 57 -3.308 21.841 0.319 307 HD2 ARG 57 HD1 ARG 57 -1.733 23.233 1.113 308 HD3 ARG 57 HD2 ARG 57 -1.541 24.029 -0.455 309 HE ARG 57 HE ARG 57 -3.944 24.931 0.525 310 HH11 ARG 57 HH11 ARG 57 -0.627 24.957 1.582 311 HH12 ARG 57 HH12 ARG 57 -0.783 26.440 2.464 312 HH21 ARG 57 HH21 ARG 57 -4.163 26.884 1.684 313 HH22 ARG 57 HH22 ARG 57 -2.794 27.534 2.522 314 H ASP 58 H ASP 58 -2.493 21.960 -4.657 315 HA ASP 58 HA ASP 58 -4.417 23.948 -5.425 316 HB2 ASP 58 HB1 ASP 58 -2.282 22.760 -7.202 317 HB3 ASP 58 HB2 ASP 58 -3.014 24.366 -7.297 318 HD2 ASP 58 HD ASP 58 0.147 23.924 -5.088 319 H GLU 59 H GLU 59 -3.992 20.571 -5.969 320 HA GLU 59 HA GLU 59 -6.076 20.626 -8.050 321 HB2 GLU 59 HB1 GLU 59 -3.575 19.201 -7.845 322 HB3 GLU 59 HB2 GLU 59 -4.923 18.060 -7.971 323 HG2 GLU 59 HG1 GLU 59 -5.659 19.025 -10.029 324 HG3 GLU 59 HG2 GLU 59 -4.502 20.354 -9.869 325 HE2 GLU 59 HE GLU 59 -3.238 16.904 -11.299 326 H LYS 60 H LYS 60 -7.136 18.234 -8.046 327 HA LYS 60 HA LYS 60 -8.390 18.037 -5.413 328 HB2 LYS 60 HB1 LYS 60 -10.052 16.585 -6.630 329 HB3 LYS 60 HB2 LYS 60 -9.962 18.263 -7.189 330 HG2 LYS 60 HG1 LYS 60 -8.167 16.464 -8.635 331 HG3 LYS 60 HG2 LYS 60 -9.882 16.044 -8.786 332 HD2 LYS 60 HD1 LYS 60 -10.443 18.136 -9.708 333 HD3 LYS 60 HD2 LYS 60 -8.909 18.858 -9.190 334 HE2 LYS 60 HE1 LYS 60 -7.983 18.342 -11.150 335 HE3 LYS 60 HE2 LYS 60 -8.308 16.629 -10.843 336 HZ1 LYS 60 HZ1 LYS 60 -9.345 17.233 -12.881 337 HZ2 LYS 60 HZ2 LYS 60 -10.106 18.573 -12.184 338 HZ3 LYS 60 HZ3 LYS 60 -10.577 17.008 -11.743 339 HA PRO 61 HA PRO 61 -6.507 14.227 -4.312 340 HB2 PRO 61 HB1 PRO 61 -8.539 12.987 -2.957 341 HB3 PRO 61 HB2 PRO 61 -7.648 14.369 -2.323 342 HG2 PRO 61 HG1 PRO 61 -10.295 14.297 -3.731 343 HG3 PRO 61 HG2 PRO 61 -9.820 15.197 -2.242 344 HD2 PRO 61 HD1 PRO 61 -9.994 16.383 -4.678 345 HD3 PRO 61 HD2 PRO 61 -8.802 16.868 -3.461 346 H PHE 62 H PHE 62 -6.181 12.219 -5.130 347 HA PHE 62 HA PHE 62 -8.267 10.672 -6.335 348 HB2 PHE 62 HB1 PHE 62 -7.563 10.705 -8.606 349 HB3 PHE 62 HB2 PHE 62 -7.709 12.391 -8.105 350 HD1 PHE 62 HD1 PHE 62 -5.443 13.365 -7.033 351 HD2 PHE 62 HD2 PHE 62 -5.702 10.190 -9.856 352 HE1 PHE 62 HE1 PHE 62 -3.125 13.803 -7.733 353 HE2 PHE 62 HE2 PHE 62 -3.385 10.623 -10.560 354 HZ PHE 62 HZ PHE 62 -2.093 12.431 -9.499 355 H CYS 63 H CYS 63 -7.670 8.540 -6.683 356 HA CYS 63 HA CYS 63 -5.413 7.627 -5.207 357 HB2 CYS 63 HB1 CYS 63 -7.715 6.444 -6.589 358 HB3 CYS 63 HB2 CYS 63 -6.261 5.450 -6.671 359 H ALA 64 H ALA 64 -3.386 7.614 -5.891 360 HA ALA 64 HA ALA 64 -2.868 7.346 -8.779 361 HB1 ALA 64 HB1 ALA 64 -1.525 8.893 -6.622 362 HB2 ALA 64 HB2 ALA 64 -0.546 8.288 -7.958 363 HB3 ALA 64 HB3 ALA 64 -1.910 9.360 -8.280 364 H THR 65 H THR 65 -1.210 5.975 -9.491 365 HA THR 65 HA THR 65 -0.957 3.541 -8.089 366 HB THR 65 HB THR 65 0.806 3.006 -9.821 367 HG1 THR 65 HG1 THR 65 1.115 5.485 -10.061 368 HG21 THR 65 HG21 THR 65 -1.032 3.567 -11.746 369 HG22 THR 65 HG22 THR 65 -2.018 3.678 -10.288 370 HG23 THR 65 HG23 THR 65 -1.131 2.195 -10.642 371 H CYS 66 H CYS 66 1.272 2.520 -7.718 372 HA CYS 66 HA CYS 66 2.588 4.008 -5.687 373 HB2 CYS 66 HB1 CYS 66 2.361 1.354 -6.290 374 HB3 CYS 66 HB2 CYS 66 4.018 1.681 -6.799 375 H ARG 67 H ARG 67 5.107 4.032 -5.709 376 HA ARG 67 HA ARG 67 5.928 5.326 -8.221 377 HB2 ARG 67 HB1 ARG 67 6.885 5.736 -5.380 378 HB3 ARG 67 HB2 ARG 67 7.637 6.484 -6.797 379 HG2 ARG 67 HG1 ARG 67 4.774 6.947 -6.744 380 HG3 ARG 67 HG2 ARG 67 5.575 7.526 -5.274 381 HD2 ARG 67 HD1 ARG 67 5.932 9.380 -6.525 382 HD3 ARG 67 HD2 ARG 67 7.308 8.436 -7.111 383 HE ARG 67 HE ARG 67 5.267 7.742 -8.779 384 HH11 ARG 67 HH11 ARG 67 6.732 10.748 -7.810 385 HH12 ARG 67 HH12 ARG 67 6.400 11.544 -9.313 386 HH21 ARG 67 HH21 ARG 67 4.825 8.780 -10.762 387 HH22 ARG 67 HH22 ARG 67 5.315 10.424 -10.991 388 H GLY 68 H GLY 68 7.946 4.875 -9.119 389 HA2 GLY 68 HA2 GLY 68 8.965 2.230 -8.463 390 HA3 GLY 68 HA3 GLY 68 9.395 3.196 -9.867 391 HA1 GLY 68 HA1 GLY 68 8.956 2.834 -7.819 392 H LEU 69 H LEU 69 11.578 2.401 -9.262 393 HA LEU 69 HA LEU 69 12.836 3.334 -6.890 394 HB2 LEU 69 HB1 LEU 69 13.691 2.017 -9.411 395 HB3 LEU 69 HB2 LEU 69 14.928 2.882 -8.484 396 HG LEU 69 HG LEU 69 13.222 0.623 -7.440 397 HD11 LEU 69 HD11 LEU 69 15.333 0.438 -9.169 398 HD12 LEU 69 HD12 LEU 69 14.809 -0.823 -8.054 399 HD13 LEU 69 HD13 LEU 69 16.114 0.271 -7.597 400 HD21 LEU 69 HD21 LEU 69 13.771 2.057 -5.629 401 HD22 LEU 69 HD22 LEU 69 15.428 2.254 -6.200 402 HD23 LEU 69 HD23 LEU 69 14.893 0.698 -5.563 403 H ARG 70 H ARG 70 13.331 4.302 -10.291 404 HA ARG 70 HA ARG 70 14.870 6.573 -9.714 405 HB2 ARG 70 HB1 ARG 70 13.182 5.819 -12.101 406 HB3 ARG 70 HB2 ARG 70 14.149 7.301 -12.048 407 HG2 ARG 70 HG1 ARG 70 15.625 4.859 -11.343 408 HG3 ARG 70 HG2 ARG 70 15.025 4.924 -13.008 409 HD2 ARG 70 HD1 ARG 70 16.182 7.462 -12.200 410 HD3 ARG 70 HD2 ARG 70 17.328 6.127 -12.012 411 HE ARG 70 HE ARG 70 16.268 5.751 -14.497 412 HH11 ARG 70 HH11 ARG 70 17.872 8.385 -12.882 413 HH12 ARG 70 HH12 ARG 70 18.571 9.021 -14.334 414 HH21 ARG 70 HH21 ARG 70 17.182 6.579 -16.415 415 HH22 ARG 70 HH22 ARG 70 18.177 7.995 -16.343 416 H ARG 71 H ARG 71 11.446 6.044 -9.675 417 HA ARG 71 HA ARG 71 10.427 8.586 -10.027 418 HB2 ARG 71 HB1 ARG 71 9.550 6.102 -8.783 419 HB3 ARG 71 HB2 ARG 71 8.894 7.527 -7.963 420 HG2 ARG 71 HG1 ARG 71 7.390 6.684 -9.710 421 HG3 ARG 71 HG2 ARG 71 7.944 8.335 -10.031 422 HD2 ARG 71 HD1 ARG 71 9.167 7.733 -11.856 423 HD3 ARG 71 HD2 ARG 71 9.575 6.151 -11.176 424 HE ARG 71 HE ARG 71 7.728 5.263 -12.203 425 HH11 ARG 71 HH11 ARG 71 7.491 8.737 -12.209 426 HH12 ARG 71 HH12 ARG 71 6.109 8.771 -13.253 427 HH21 ARG 71 HH21 ARG 71 5.910 5.295 -13.578 428 HH22 ARG 71 HH22 ARG 71 5.210 6.812 -14.031 429 H ARG 72 H ARG 72 9.984 10.325 -8.672 430 HA ARG 72 HA ARG 72 11.861 10.655 -6.488 431 HB2 ARG 72 HB1 ARG 72 9.926 12.520 -7.868 432 HB3 ARG 72 HB2 ARG 72 10.868 13.000 -6.449 433 HG2 ARG 72 HG1 ARG 72 12.712 11.872 -8.250 434 HG3 ARG 72 HG2 ARG 72 11.654 12.928 -9.200 435 HD2 ARG 72 HD1 ARG 72 12.305 14.833 -8.094 436 HD3 ARG 72 HD2 ARG 72 12.686 13.952 -6.606 437 HE ARG 72 HE ARG 72 14.830 13.724 -7.349 438 HH11 ARG 72 HH11 ARG 72 12.777 14.432 -10.070 439 HH12 ARG 72 HH12 ARG 72 14.090 14.576 -11.190 440 HH21 ARG 72 HH21 ARG 72 16.569 13.912 -8.814 441 HH22 ARG 72 HH22 ARG 72 16.247 14.279 -10.475 442 H CYS 73 H CYS 73 11.220 11.444 -4.389 443 HA CYS 73 HA CYS 73 8.453 11.159 -3.593 444 HB2 CYS 73 HB1 CYS 73 8.950 9.489 -1.830 445 HB3 CYS 73 HB2 CYS 73 9.153 8.846 -3.460 446 H GLN 74 H GLN 74 8.133 11.735 -1.295 447 HA GLN 74 HA GLN 74 10.232 13.586 -0.376 448 HB2 GLN 74 HB1 GLN 74 7.579 14.141 -1.063 449 HB3 GLN 74 HB2 GLN 74 7.604 14.149 0.707 450 HG2 GLN 74 HG1 GLN 74 9.734 15.638 -0.751 451 HG3 GLN 74 HG2 GLN 74 8.103 16.321 -0.680 452 HE21 GLN 74 HE21 GLN 74 7.182 16.754 1.391 453 HE22 GLN 74 HE22 GLN 74 8.202 17.073 2.749 454 H ARG 75 H ARG 75 8.081 11.004 0.459 455 HA ARG 75 HA ARG 75 9.187 11.007 3.190 456 HB2 ARG 75 HB1 ARG 75 6.532 11.335 2.532 457 HB3 ARG 75 HB2 ARG 75 6.640 9.601 2.860 458 HG2 ARG 75 HG1 ARG 75 7.822 10.255 5.036 459 HG3 ARG 75 HG2 ARG 75 7.215 11.887 4.710 460 HD2 ARG 75 HD1 ARG 75 4.916 10.653 4.388 461 HD3 ARG 75 HD2 ARG 75 5.701 9.396 5.355 462 HE ARG 75 HE ARG 75 6.084 11.807 6.684 463 HH11 ARG 75 HH11 ARG 75 3.446 9.738 5.745 464 HH12 ARG 75 HH12 ARG 75 2.439 10.199 7.077 465 HH21 ARG 75 HH21 ARG 75 4.765 12.423 8.442 466 HH22 ARG 75 HH22 ARG 75 3.190 11.727 8.610 467 H ASP 76 H ASP 76 9.099 8.793 4.211 468 HA ASP 76 HA ASP 76 10.366 6.922 2.434 469 HB2 ASP 76 HB1 ASP 76 9.555 6.351 5.282 470 HB3 ASP 76 HB2 ASP 76 10.905 5.672 4.365 471 HD2 ASP 76 HD ASP 76 12.847 8.557 4.890 472 H ALA 77 H ALA 77 7.276 7.167 4.104 473 HA ALA 77 HA ALA 77 6.403 4.541 3.335 474 HB1 ALA 77 HB1 ALA 77 5.124 6.876 4.692 475 HB2 ALA 77 HB2 ALA 77 4.133 5.542 4.101 476 HB3 ALA 77 HB3 ALA 77 5.397 5.240 5.293 477 H MET 78 H MET 78 6.303 7.715 1.952 478 HA MET 78 HA MET 78 4.114 7.528 0.252 479 HB2 MET 78 HB1 MET 78 6.630 9.082 0.318 480 HB3 MET 78 HB2 MET 78 5.844 8.961 -1.263 481 HG2 MET 78 HG1 MET 78 4.295 9.788 1.172 482 HG3 MET 78 HG2 MET 78 5.263 10.946 0.258 483 HE1 MET 78 HE1 MET 78 5.020 10.142 -2.708 484 HE2 MET 78 HE2 MET 78 3.572 11.007 -3.225 485 HE3 MET 78 HE3 MET 78 4.730 11.789 -2.147 486 H CYS 79 H CYS 79 7.212 5.984 0.080 487 HA CYS 79 HA CYS 79 6.756 5.120 -2.675 488 HB2 CYS 79 HB1 CYS 79 9.081 5.447 -0.938 489 HB3 CYS 79 HB2 CYS 79 9.087 3.901 -1.788 490 H CYS 80 H CYS 80 6.842 2.880 -3.257 491 HA CYS 80 HA CYS 80 5.168 1.223 -1.815 492 HB2 CYS 80 HB1 CYS 80 6.975 0.942 -4.107 493 HB3 CYS 80 HB2 CYS 80 6.747 -0.560 -3.208 494 HA PRO 81 HA PRO 81 7.473 -0.646 1.415 495 HB2 PRO 81 HB1 PRO 81 6.578 -3.234 1.365 496 HB3 PRO 81 HB2 PRO 81 5.598 -1.876 1.916 497 HG2 PRO 81 HG1 PRO 81 5.648 -3.218 -0.764 498 HG3 PRO 81 HG2 PRO 81 4.233 -2.720 0.234 499 HD2 PRO 81 HD1 PRO 81 5.106 -1.276 -1.892 500 HD3 PRO 81 HD2 PRO 81 4.396 -0.526 -0.452 501 H GLY 82 H GLY 82 9.447 -1.528 1.733 502 HA2 GLY 82 HA2 GLY 82 11.060 -3.285 1.316 503 HA3 GLY 82 HA3 GLY 82 10.510 -3.323 -0.352 504 HA1 GLY 82 HA1 GLY 82 10.994 -2.428 1.514 505 H THR 83 H THR 83 10.472 -0.261 -0.209 506 HA THR 83 HA THR 83 13.369 0.096 -0.630 507 HB THR 83 HB THR 83 12.517 2.070 -2.123 508 HG1 THR 83 HG1 THR 83 10.251 1.466 -1.424 509 HG21 THR 83 HG21 THR 83 11.959 -0.046 -3.845 510 HG22 THR 83 HG22 THR 83 13.047 -0.730 -2.638 511 HG23 THR 83 HG23 THR 83 13.535 0.693 -3.557 512 H LEU 84 H LEU 84 13.951 2.535 -0.556 513 HA LEU 84 HA LEU 84 12.528 3.837 1.664 514 HB2 LEU 84 HB1 LEU 84 15.058 2.670 1.826 515 HB3 LEU 84 HB2 LEU 84 15.362 4.409 1.666 516 HG LEU 84 HG LEU 84 13.343 3.630 3.675 517 HD11 LEU 84 HD11 LEU 84 16.237 2.871 3.875 518 HD12 LEU 84 HD12 LEU 84 14.809 1.899 4.231 519 HD13 LEU 84 HD13 LEU 84 15.268 3.219 5.308 520 HD21 LEU 84 HD21 LEU 84 15.255 5.774 3.128 521 HD22 LEU 84 HD22 LEU 84 15.176 5.299 4.825 522 HD23 LEU 84 HD23 LEU 84 13.714 5.817 3.984 523 H CYS 85 H CYS 85 12.885 6.157 1.808 524 HA CYS 85 HA CYS 85 13.215 7.327 -0.858 525 HB2 CYS 85 HB1 CYS 85 11.129 7.692 0.589 526 HB3 CYS 85 HB2 CYS 85 12.147 8.735 1.584 527 H VAL 86 H VAL 86 15.247 7.928 -1.259 528 HA VAL 86 HA VAL 86 16.665 9.469 0.815 529 HB VAL 86 HB VAL 86 17.966 7.677 -1.238 530 HG11 VAL 86 HG11 VAL 86 19.719 8.177 0.859 531 HG12 VAL 86 HG12 VAL 86 19.778 8.880 -0.759 532 HG13 VAL 86 HG13 VAL 86 18.949 9.733 0.545 533 HG21 VAL 86 HG21 VAL 86 17.613 7.208 1.721 534 HG22 VAL 86 HG22 VAL 86 16.700 6.396 0.448 535 HG23 VAL 86 HG23 VAL 86 18.440 6.148 0.580 536 H ASN 87 H ASN 87 17.596 11.361 0.209 537 HA ASN 87 HA ASN 87 17.930 13.247 -1.019 538 HB2 ASN 87 HB1 ASN 87 19.450 11.365 -2.127 539 HB3 ASN 87 HB2 ASN 87 18.369 11.643 -3.496 540 HD21 ASN 87 HD21 ASN 87 21.184 12.195 -3.332 541 HD22 ASN 87 HD22 ASN 87 21.378 13.891 -3.597 542 H ASP 88 H ASP 88 15.242 12.342 -0.827 543 HA ASP 88 HA ASP 88 13.181 12.836 -1.653 544 HB2 ASP 88 HB1 ASP 88 14.564 15.019 -2.181 545 HB3 ASP 88 HB2 ASP 88 14.364 14.481 -3.854 546 HD2 ASP 88 HD ASP 88 11.205 15.864 -1.927 547 H VAL 89 H VAL 89 14.828 10.621 -2.747 548 HA VAL 89 HA VAL 89 13.149 10.073 -5.073 549 HB VAL 89 HB VAL 89 16.151 9.738 -5.142 550 HG11 VAL 89 HG11 VAL 89 15.080 7.947 -6.333 551 HG12 VAL 89 HG12 VAL 89 14.015 9.082 -7.167 552 HG13 VAL 89 HG13 VAL 89 15.746 9.085 -7.505 553 HG21 VAL 89 HG21 VAL 89 15.826 11.353 -7.134 554 HG22 VAL 89 HG22 VAL 89 14.296 11.755 -6.354 555 HG23 VAL 89 HG23 VAL 89 15.817 12.011 -5.498 556 H CYS 90 H CYS 90 12.713 7.906 -5.403 557 HA CYS 90 HA CYS 90 12.898 6.215 -3.141 558 HB2 CYS 90 HB1 CYS 90 11.356 6.293 -5.422 559 HB3 CYS 90 HB2 CYS 90 12.365 4.871 -5.693 560 H THR 91 H THR 91 14.101 4.358 -2.785 561 HA THR 91 HA THR 91 16.134 3.567 -4.698 562 HB THR 91 HB THR 91 17.287 5.353 -3.507 563 HG1 THR 91 HG1 THR 91 19.016 4.133 -3.483 564 HG21 THR 91 HG21 THR 91 16.159 3.967 -1.144 565 HG22 THR 91 HG22 THR 91 16.441 5.685 -1.421 566 HG23 THR 91 HG23 THR 91 17.784 4.631 -0.976 567 H THR 92 H THR 92 17.283 1.605 -4.028 568 HA THR 92 HA THR 92 15.492 -0.287 -2.879 569 HB THR 92 HB THR 92 17.519 -1.842 -3.051 570 HG1 THR 92 HG1 THR 92 19.337 -1.052 -3.924 571 HG21 THR 92 HG21 THR 92 17.164 -2.198 -5.343 572 HG22 THR 92 HG22 THR 92 16.860 -0.488 -5.652 573 HG23 THR 92 HG23 THR 92 15.666 -1.452 -4.784 574 H MET 93 H MET 93 16.042 -1.733 -1.078 575 HA MET 93 HA MET 93 16.720 -0.247 1.252 576 HB2 MET 93 HB1 MET 93 15.180 -2.385 0.868 577 HB3 MET 93 HB2 MET 93 16.671 -3.225 1.316 578 HG2 MET 93 HG1 MET 93 16.553 -2.600 3.477 579 HG3 MET 93 HG2 MET 93 15.923 -1.002 3.079 580 HE1 MET 93 HE1 MET 93 14.008 -0.215 3.366 581 HE2 MET 93 HE2 MET 93 12.418 -0.979 3.380 582 HE3 MET 93 HE3 MET 93 13.386 -0.927 4.855 583 H GLU 94 H GLU 94 18.436 -2.503 -0.809 584 HA GLU 94 HA GLU 94 20.640 -2.903 0.955 585 HB2 GLU 94 HB1 GLU 94 20.326 -3.336 -2.022 586 HB3 GLU 94 HB2 GLU 94 21.769 -3.797 -1.104 587 HG2 GLU 94 HG1 GLU 94 19.971 -5.056 0.388 588 HG3 GLU 94 HG2 GLU 94 19.071 -5.020 -1.135 589 HE2 GLU 94 HE GLU 94 22.538 -6.931 -1.413 590 H ASP 95 H ASP 95 19.841 -0.558 -1.500 591 HA ASP 95 HA ASP 95 22.493 0.529 -1.691 592 HB2 ASP 95 HB1 ASP 95 19.786 1.369 -2.713 593 HB3 ASP 95 HB2 ASP 95 21.188 2.439 -2.855 594 HD2 ASP 95 HD ASP 95 21.082 0.456 -5.861 595 H ALA 96 H ALA 96 19.432 1.676 -0.276 596 HA ALA 96 HA ALA 96 20.448 4.021 0.869 597 HB1 ALA 96 HB1 ALA 96 18.360 4.320 1.623 598 HB2 ALA 96 HB2 ALA 96 17.978 2.889 0.664 599 HB3 ALA 96 HB3 ALA 96 18.304 2.733 2.390 600 H THR 97 H THR 97 19.860 0.849 2.391 601 HA THR 97 HA THR 97 21.346 1.665 4.751 602 HB THR 97 HB THR 97 20.320 -1.119 4.307 603 HG1 THR 97 HG1 THR 97 18.351 -0.371 4.208 604 HG21 THR 97 HG21 THR 97 20.264 0.549 6.809 605 HG22 THR 97 HG22 THR 97 21.692 -0.367 6.330 606 HG23 THR 97 HG23 THR 97 20.176 -1.206 6.654 607 H GLU 98 H GLU 98 23.421 1.909 3.752 608 HA GLU 98 HA GLU 98 24.878 -0.611 3.640 609 HB2 GLU 98 HB1 GLU 98 24.074 0.362 1.283 610 HB3 GLU 98 HB2 GLU 98 25.542 1.330 1.487 611 HG2 GLU 98 HG1 GLU 98 26.529 -1.097 2.081 612 HG3 GLU 98 HG2 GLU 98 25.233 -1.555 0.968 613 HE2 GLU 98 HE GLU 98 28.492 -0.255 -0.587 614 H ASN 99 H ASN 99 27.218 -0.313 3.760 615 HA ASN 99 HA ASN 99 27.880 1.819 5.577 616 HB2 ASN 99 HB1 ASN 99 28.722 -0.684 5.498 617 HB3 ASN 99 HB2 ASN 99 29.950 -0.006 4.422 618 HD21 ASN 99 HD21 ASN 99 31.330 -0.805 6.217 619 HD22 ASN 99 HD22 ASN 99 31.649 0.280 7.523 620 H LEU 100 H LEU 100 29.166 3.570 5.224 621 HA LEU 100 HA LEU 100 30.299 3.928 2.537 622 HB2 LEU 100 HB1 LEU 100 28.220 5.525 3.878 623 HB3 LEU 100 HB2 LEU 100 29.555 6.464 3.190 624 HG LEU 100 HG LEU 100 28.275 4.436 1.441 625 HD11 LEU 100 HD11 LEU 100 26.985 7.093 2.037 626 HD12 LEU 100 HD12 LEU 100 26.376 5.530 2.583 627 HD13 LEU 100 HD13 LEU 100 26.450 5.894 0.858 628 HD21 LEU 100 HD21 LEU 100 29.152 7.273 0.933 629 HD22 LEU 100 HD22 LEU 100 28.780 6.035 -0.266 630 HD23 LEU 100 HD23 LEU 100 30.201 5.866 0.764 631 H TYR 101 H TYR 101 31.774 5.917 2.508 632 HA TYR 101 HA TYR 101 33.285 6.024 5.037 633 HB2 TYR 101 HB1 TYR 101 35.332 6.279 3.718 634 HB3 TYR 101 HB2 TYR 101 34.501 4.773 3.318 635 HD1 TYR 101 HD1 TYR 101 33.265 4.548 1.180 636 HD2 TYR 101 HD2 TYR 101 35.624 7.981 2.050 637 HE1 TYR 101 HE1 TYR 101 33.260 5.149 -1.205 638 HE2 TYR 101 HE2 TYR 101 35.624 8.592 -0.332 639 HH TYR 101 HH TYR 101 33.983 8.082 -2.364 640 H PHE 102 H PHE 102 34.718 8.001 5.173 641 HA PHE 102 HA PHE 102 33.252 10.339 4.137 642 HB2 PHE 102 HB1 PHE 102 34.018 9.605 6.813 643 HB3 PHE 102 HB2 PHE 102 34.819 11.111 6.364 644 HD1 PHE 102 HD1 PHE 102 33.738 12.986 7.097 645 HD2 PHE 102 HD2 PHE 102 31.425 9.656 5.802 646 HE1 PHE 102 HE1 PHE 102 31.675 14.249 7.545 647 HE2 PHE 102 HE2 PHE 102 29.358 10.914 6.247 648 HZ PHE 102 HZ PHE 102 29.481 13.214 7.119 649 H GLN 103 H GLN 103 36.454 9.794 5.606 650 HA GLN 103 HA GLN 103 37.805 10.594 3.188 651 HB2 GLN 103 HB1 GLN 103 39.024 12.474 4.326 652 HB3 GLN 103 HB2 GLN 103 37.316 12.789 3.986 653 HG2 GLN 103 HG1 GLN 103 36.715 12.804 6.180 654 HG3 GLN 103 HG2 GLN 103 38.000 11.680 6.646 655 HE21 GLN 103 HE21 GLN 103 38.525 13.048 8.390 656 HE22 GLN 103 HE22 GLN 103 39.434 14.497 8.148 657 H SER 104 H SER 104 40.283 10.949 3.838 658 HA SER 104 HA SER 104 40.975 8.650 5.544 659 HB2 SER 104 HB1 SER 104 41.661 9.198 2.877 660 HB3 SER 104 HB2 SER 104 43.126 9.540 3.815 661 HG SER 104 HG SER 104 43.192 7.480 4.515 662 H LEU 105 H LEU 105 43.500 8.935 6.145 663 HA LEU 105 HA LEU 105 43.815 11.628 7.293 664 HB2 LEU 105 HB1 LEU 105 43.036 9.788 8.904 665 HB3 LEU 105 HB2 LEU 105 44.670 9.127 8.717 666 HG LEU 105 HG LEU 105 45.164 11.746 9.380 667 HD11 LEU 105 HD11 LEU 105 43.175 10.986 11.427 668 HD12 LEU 105 HD12 LEU 105 42.544 11.604 9.901 669 HD13 LEU 105 HD13 LEU 105 43.666 12.580 10.851 670 HD21 LEU 105 HD21 LEU 105 45.105 9.163 10.868 671 HD22 LEU 105 HD22 LEU 105 45.447 10.654 11.746 672 HD23 LEU 105 HD23 LEU 105 46.479 10.165 10.402 673 H GLU 106 H GLU 106 45.875 12.457 7.346 674 HA GLU 106 HA GLU 106 48.067 10.765 6.390 675 HB2 GLU 106 HB1 GLU 106 46.764 12.781 4.845 676 HB3 GLU 106 HB2 GLU 106 48.397 13.344 5.232 677 HG2 GLU 106 HG1 GLU 106 49.387 11.854 3.883 678 HG3 GLU 106 HG2 GLU 106 48.264 10.562 4.333 679 HE2 GLU 106 HE GLU 106 46.615 10.949 1.370 680 H HIS 107 H HIS 107 50.206 11.767 6.724 681 HA HIS 107 HA HIS 107 50.419 14.019 8.495 682 HB2 HIS 107 HB1 HIS 107 49.851 11.721 9.794 683 HB3 HIS 107 HB2 HIS 107 51.611 11.594 9.715 684 HD1 HIS 107 HD1 HIS 107 49.008 14.104 10.886 685 HD2 HIS 107 HD2 HIS 107 52.920 12.943 11.669 686 HE1 HIS 107 HE1 HIS 107 49.719 15.448 12.888 687 HE2 HIS 107 HE2 HIS 107 52.111 14.739 13.367 688 H HIS 108 H HIS 108 52.615 14.655 8.876 689 HA HIS 108 HA HIS 108 54.456 13.549 6.867 690 HB2 HIS 108 HB1 HIS 108 53.981 16.281 7.957 691 HB3 HIS 108 HB2 HIS 108 55.638 15.863 7.512 692 HD1 HIS 108 HD1 HIS 108 52.240 16.362 5.999 693 HD2 HIS 108 HD2 HIS 108 56.156 15.682 4.789 694 HE1 HIS 108 HE1 HIS 108 52.252 16.746 3.514 695 HE2 HIS 108 HE2 HIS 108 54.645 16.331 2.773 696 H HIS 109 H HIS 109 56.690 13.312 7.401 697 HA HIS 109 HA HIS 109 57.254 13.149 10.283 698 HB2 HIS 109 HB1 HIS 109 58.034 11.095 8.197 699 HB3 HIS 109 HB2 HIS 109 58.486 11.052 9.904 700 HD1 HIS 109 HD1 HIS 109 56.669 10.380 11.616 701 HD2 HIS 109 HD2 HIS 109 55.390 10.306 7.664 702 HE1 HIS 109 HE1 HIS 109 54.477 9.148 11.641 703 HE2 HIS 109 HE2 HIS 109 53.693 9.103 9.227 704 H HIS 110 H HIS 110 58.818 12.896 7.086 705 HA HIS 110 HA HIS 110 61.303 13.926 8.112 706 HB2 HIS 110 HB1 HIS 110 60.920 12.232 6.170 707 HB3 HIS 110 HB2 HIS 110 60.659 13.677 5.188 708 HD1 HIS 110 HD1 HIS 110 62.809 13.131 3.820 709 HD2 HIS 110 HD2 HIS 110 63.471 13.891 7.850 710 HE1 HIS 110 HE1 HIS 110 65.289 13.488 4.038 711 HE2 HIS 110 HE2 HIS 110 65.695 13.953 6.500 712 H HIS 111 H HIS 111 60.599 15.969 8.923 713 HA HIS 111 HA HIS 111 59.312 17.948 7.430 714 HB2 HIS 111 HB1 HIS 111 60.204 19.543 9.061 715 HB3 HIS 111 HB2 HIS 111 59.591 18.091 9.859 716 HD1 HIS 111 HD1 HIS 111 62.708 20.024 9.301 717 HD2 HIS 111 HD2 HIS 111 61.566 16.413 11.010 718 HE1 HIS 111 HE1 HIS 111 64.691 19.260 10.646 719 HE2 HIS 111 HE2 HIS 111 63.993 17.053 11.691 720 H HIS 112 H HIS 112 62.609 16.865 7.406 721 HA HIS 112 HA HIS 112 63.308 19.049 5.556 722 HB2 HIS 112 HB1 HIS 112 64.586 18.537 7.841 723 HB3 HIS 112 HB2 HIS 112 65.429 17.373 6.811 724 HD1 HIS 112 HD1 HIS 112 65.017 21.046 7.350 725 HD2 HIS 112 HD2 HIS 112 67.119 18.467 4.862 726 HE1 HIS 112 HE1 HIS 112 66.725 22.478 6.186 727 HE2 HIS 112 HE2 HIS 112 68.011 20.903 4.666 Start of MODEL 30 1 H1 MET 18 H MET 18 -38.170 36.334 26.448 2 HA MET 18 HA MET 18 -39.764 38.365 25.433 3 HB2 MET 18 HB1 MET 18 -36.883 38.530 24.519 4 HB3 MET 18 HB2 MET 18 -38.235 39.342 23.714 5 HG2 MET 18 HG1 MET 18 -38.682 40.669 25.693 6 HG3 MET 18 HG2 MET 18 -37.410 39.812 26.568 7 HE1 MET 18 HE1 MET 18 -38.449 42.732 25.027 8 HE2 MET 18 HE2 MET 18 -37.278 43.250 26.240 9 HE3 MET 18 HE3 MET 18 -37.017 43.641 24.539 10 H LEU 19 H LEU 19 -40.690 36.204 25.058 11 HA LEU 19 HA LEU 19 -39.584 34.861 22.690 12 HB2 LEU 19 HB1 LEU 19 -40.851 33.945 25.122 13 HB3 LEU 19 HB2 LEU 19 -41.713 33.351 23.692 14 HG LEU 19 HG LEU 19 -39.587 32.389 22.858 15 HD11 LEU 19 HD11 LEU 19 -37.863 32.121 24.823 16 HD12 LEU 19 HD12 LEU 19 -38.571 33.644 25.358 17 HD13 LEU 19 HD13 LEU 19 -37.825 33.532 23.764 18 HD21 LEU 19 HD21 LEU 19 -41.317 31.243 24.432 19 HD22 LEU 19 HD22 LEU 19 -40.017 31.334 25.620 20 HD23 LEU 19 HD23 LEU 19 -39.770 30.459 24.109 21 H VAL 20 H VAL 20 -40.765 34.611 20.844 22 HA VAL 20 HA VAL 20 -43.365 35.999 20.760 23 HB VAL 20 HB VAL 20 -41.603 37.137 19.459 24 HG11 VAL 20 HG11 VAL 20 -41.564 34.620 17.798 25 HG12 VAL 20 HG12 VAL 20 -40.674 36.106 17.465 26 HG13 VAL 20 HG13 VAL 20 -40.283 35.142 18.890 27 HG21 VAL 20 HG21 VAL 20 -43.260 36.155 17.265 28 HG22 VAL 20 HG22 VAL 20 -44.182 36.591 18.704 29 HG23 VAL 20 HG23 VAL 20 -43.121 37.777 17.943 30 H LEU 21 H LEU 21 -45.084 35.005 19.811 31 HA LEU 21 HA LEU 21 -44.807 32.155 19.296 32 HB2 LEU 21 HB1 LEU 21 -47.055 34.021 19.876 33 HB3 LEU 21 HB2 LEU 21 -47.411 32.539 18.971 34 HG LEU 21 HG LEU 21 -46.091 31.437 20.999 35 HD11 LEU 21 HD11 LEU 21 -47.481 33.268 22.743 36 HD12 LEU 21 HD12 LEU 21 -46.222 34.091 21.822 37 HD13 LEU 21 HD13 LEU 21 -45.816 32.690 22.811 38 HD21 LEU 21 HD21 LEU 21 -48.939 32.310 21.390 39 HD22 LEU 21 HD22 LEU 21 -48.171 30.803 21.887 40 HD23 LEU 21 HD23 LEU 21 -48.479 31.114 20.178 41 H ASP 22 H ASP 22 -45.429 31.134 17.388 42 HA ASP 22 HA ASP 22 -46.238 32.732 15.106 43 HB2 ASP 22 HB1 ASP 22 -43.505 32.197 15.540 44 HB3 ASP 22 HB2 ASP 22 -44.021 31.086 14.264 45 HD2 ASP 22 HD ASP 22 -44.612 33.704 12.034 46 H PHE 23 H PHE 23 -46.487 31.280 13.124 47 HA PHE 23 HA PHE 23 -47.422 28.622 13.988 48 HB2 PHE 23 HB1 PHE 23 -48.821 30.777 12.658 49 HB3 PHE 23 HB2 PHE 23 -48.813 29.331 11.647 50 HD1 PHE 23 HD1 PHE 23 -50.470 30.977 14.264 51 HD2 PHE 23 HD2 PHE 23 -49.439 27.094 12.860 52 HE1 PHE 23 HE1 PHE 23 -52.300 30.012 15.599 53 HE2 PHE 23 HE2 PHE 23 -51.267 26.123 14.190 54 HZ PHE 23 HZ PHE 23 -52.701 27.582 15.561 55 H ASN 24 H ASN 24 -47.639 27.072 12.093 56 HA ASN 24 HA ASN 24 -45.507 27.499 10.115 57 HB2 ASN 24 HB1 ASN 24 -45.532 25.578 12.266 58 HB3 ASN 24 HB2 ASN 24 -45.540 24.741 10.709 59 HD21 ASN 24 HD21 ASN 24 -43.904 27.393 12.390 60 HD22 ASN 24 HD22 ASN 24 -42.345 27.093 11.710 61 H ASN 25 H ASN 25 -45.812 26.515 8.116 62 HA ASN 25 HA ASN 25 -48.449 25.266 7.703 63 HB2 ASN 25 HB1 ASN 25 -48.168 26.317 5.315 64 HB3 ASN 25 HB2 ASN 25 -48.764 27.307 6.652 65 HD21 ASN 25 HD21 ASN 25 -48.062 29.263 6.000 66 HD22 ASN 25 HD22 ASN 25 -46.398 29.684 5.810 67 H ILE 26 H ILE 26 -48.542 23.485 6.409 68 HA ILE 26 HA ILE 26 -46.157 22.005 6.006 69 HB ILE 26 HB ILE 26 -47.555 20.333 4.929 70 HG12 ILE 26 HG11 ILE 26 -50.158 21.364 5.210 71 HG13 ILE 26 HG12 ILE 26 -49.224 22.624 4.384 72 HG21 ILE 26 HG21 ILE 26 -48.942 19.790 6.775 73 HG22 ILE 26 HG22 ILE 26 -47.543 20.642 7.426 74 HG23 ILE 26 HG23 ILE 26 -49.084 21.481 7.251 75 HD11 ILE 26 HD11 ILE 26 -48.436 20.726 2.835 76 HD12 ILE 26 HD12 ILE 26 -49.819 19.842 3.480 77 HD13 ILE 26 HD13 ILE 26 -50.064 21.371 2.637 78 H ARG 27 H ARG 27 -45.372 21.159 3.962 79 HA ARG 27 HA ARG 27 -46.012 22.758 1.599 80 HB2 ARG 27 HB1 ARG 27 -43.450 22.770 3.086 81 HB3 ARG 27 HB2 ARG 27 -43.324 22.638 1.326 82 HG2 ARG 27 HG1 ARG 27 -45.177 24.719 2.264 83 HG3 ARG 27 HG2 ARG 27 -43.477 24.974 2.688 84 HD2 ARG 27 HD1 ARG 27 -44.044 24.126 -0.102 85 HD3 ARG 27 HD2 ARG 27 -44.534 25.762 0.359 86 HE ARG 27 HE ARG 27 -41.849 24.794 0.012 87 HH11 ARG 27 HH11 ARG 27 -43.857 27.196 1.536 88 HH12 ARG 27 HH12 ARG 27 -42.577 28.352 1.697 89 HH21 ARG 27 HH21 ARG 27 -40.155 26.308 0.219 90 HH22 ARG 27 HH22 ARG 27 -40.472 27.847 0.946 91 H SER 28 H SER 28 -44.709 21.865 -0.344 92 HA SER 28 HA SER 28 -45.290 19.055 -0.496 93 HB2 SER 28 HB1 SER 28 -44.616 19.254 -2.854 94 HB3 SER 28 HB2 SER 28 -45.744 20.543 -2.399 95 HG SER 28 HG SER 28 -43.973 21.364 -3.581 96 H SER 29 H SER 29 -43.677 17.540 -1.507 97 HA SER 29 HA SER 29 -41.076 17.899 -0.183 98 HB2 SER 29 HB1 SER 29 -42.468 15.352 -1.070 99 HB3 SER 29 HB2 SER 29 -40.892 15.435 -0.262 100 HG SER 29 HG SER 29 -42.390 15.068 1.320 101 H ALA 30 H ALA 30 -39.175 17.603 -1.290 102 HA ALA 30 HA ALA 30 -39.313 16.929 -4.136 103 HB1 ALA 30 HB1 ALA 30 -38.175 18.843 -4.870 104 HB2 ALA 30 HB2 ALA 30 -39.410 19.448 -3.763 105 HB3 ALA 30 HB3 ALA 30 -37.735 19.314 -3.228 106 H ASP 31 H ASP 31 -36.878 17.036 -4.994 107 HA ASP 31 HA ASP 31 -35.297 15.467 -3.069 108 HB2 ASP 31 HB1 ASP 31 -35.289 15.415 -6.099 109 HB3 ASP 31 HB2 ASP 31 -34.192 14.481 -5.073 110 HD2 ASP 31 HD ASP 31 -37.822 13.135 -5.648 111 H LEU 32 H LEU 32 -33.076 15.839 -2.878 112 HA LEU 32 HA LEU 32 -32.094 18.327 -4.110 113 HB2 LEU 32 HB1 LEU 32 -30.833 18.736 -1.989 114 HB3 LEU 32 HB2 LEU 32 -32.594 18.883 -1.859 115 HG LEU 32 HG LEU 32 -31.801 16.212 -1.175 116 HD11 LEU 32 HD11 LEU 32 -30.525 18.336 0.533 117 HD12 LEU 32 HD12 LEU 32 -29.642 17.378 -0.655 118 HD13 LEU 32 HD13 LEU 32 -30.415 16.585 0.717 119 HD21 LEU 32 HD21 LEU 32 -32.853 18.342 0.664 120 HD22 LEU 32 HD22 LEU 32 -33.136 16.601 0.715 121 HD23 LEU 32 HD23 LEU 32 -33.866 17.577 -0.561 122 H HIS 33 H HIS 33 -30.500 17.812 -5.448 123 HA HIS 33 HA HIS 33 -28.659 15.645 -4.682 124 HB2 HIS 33 HB1 HIS 33 -30.146 15.717 -6.918 125 HB3 HIS 33 HB2 HIS 33 -28.736 16.612 -7.491 126 HD1 HIS 33 HD1 HIS 33 -29.651 13.649 -8.355 127 HD2 HIS 33 HD2 HIS 33 -26.522 14.672 -5.821 128 HE1 HIS 33 HE1 HIS 33 -28.064 11.699 -8.425 129 HE2 HIS 33 HE2 HIS 33 -26.150 12.324 -6.877 130 H GLY 34 H GLY 34 -27.010 16.638 -3.651 131 HA2 GLY 34 HA2 GLY 34 -25.947 19.150 -4.675 132 HA3 GLY 34 HA3 GLY 34 -25.463 18.340 -3.192 133 HA1 GLY 34 HA1 GLY 34 -26.021 18.476 -5.240 134 H ALA 35 H ALA 35 -23.275 18.399 -3.541 135 HA ALA 35 HA ALA 35 -21.910 17.896 -5.893 136 HB1 ALA 35 HB1 ALA 35 -21.223 18.388 -3.250 137 HB2 ALA 35 HB2 ALA 35 -20.487 16.826 -3.613 138 HB3 ALA 35 HB3 ALA 35 -20.118 18.229 -4.616 139 H ARG 36 H ARG 36 -20.537 15.995 -6.416 140 HA ARG 36 HA ARG 36 -22.153 13.644 -6.559 141 HB2 ARG 36 HB1 ARG 36 -19.515 14.522 -7.603 142 HB3 ARG 36 HB2 ARG 36 -19.771 12.777 -7.455 143 HG2 ARG 36 HG1 ARG 36 -21.903 14.376 -8.776 144 HG3 ARG 36 HG2 ARG 36 -20.388 14.106 -9.656 145 HD2 ARG 36 HD1 ARG 36 -20.837 11.601 -8.769 146 HD3 ARG 36 HD2 ARG 36 -22.502 12.190 -8.883 147 HE ARG 36 HE ARG 36 -21.454 12.901 -11.267 148 HH11 ARG 36 HH11 ARG 36 -21.525 9.904 -9.497 149 HH12 ARG 36 HH12 ARG 36 -21.517 8.913 -10.918 150 HH21 ARG 36 HH21 ARG 36 -21.443 11.607 -13.145 151 HH22 ARG 36 HH22 ARG 36 -21.470 9.882 -12.992 152 H LYS 37 H LYS 37 -18.827 14.028 -5.325 153 HA LYS 37 HA LYS 37 -19.508 12.171 -3.147 154 HB2 LYS 37 HB1 LYS 37 -17.081 12.115 -4.947 155 HB3 LYS 37 HB2 LYS 37 -17.147 11.269 -3.394 156 HG2 LYS 37 HG1 LYS 37 -18.014 9.525 -4.451 157 HG3 LYS 37 HG2 LYS 37 -19.467 10.500 -4.733 158 HD2 LYS 37 HD1 LYS 37 -18.806 9.714 -6.864 159 HD3 LYS 37 HD2 LYS 37 -18.301 11.412 -6.791 160 HE2 LYS 37 HE1 LYS 37 -16.014 10.732 -6.232 161 HE3 LYS 37 HE2 LYS 37 -16.517 9.036 -6.260 162 HZ1 LYS 37 HZ1 LYS 37 -16.979 9.188 -8.586 163 HZ2 LYS 37 HZ2 LYS 37 -15.416 9.779 -8.325 164 HZ3 LYS 37 HZ3 LYS 37 -16.692 10.855 -8.599 165 H GLY 38 H GLY 38 -18.351 12.453 -1.201 166 HA2 GLY 38 HA2 GLY 38 -17.366 15.180 -0.851 167 HA3 GLY 38 HA3 GLY 38 -17.798 14.058 0.431 168 HA1 GLY 38 HA1 GLY 38 -16.951 14.655 -1.427 169 H SER 39 H SER 39 -16.316 12.241 0.816 170 HA SER 39 HA SER 39 -13.534 13.062 0.302 171 HB2 SER 39 HB1 SER 39 -13.460 11.199 2.368 172 HB3 SER 39 HB2 SER 39 -13.364 12.961 2.543 173 HG SER 39 HG SER 39 -15.201 12.859 3.533 174 H GLN 40 H GLN 40 -12.470 11.861 -1.111 175 HA GLN 40 HA GLN 40 -13.463 9.396 -2.105 176 HB2 GLN 40 HB1 GLN 40 -11.994 11.120 -3.306 177 HB3 GLN 40 HB2 GLN 40 -10.636 10.378 -2.444 178 HG2 GLN 40 HG1 GLN 40 -10.877 9.501 -4.719 179 HG3 GLN 40 HG2 GLN 40 -11.081 8.248 -3.486 180 HE21 GLN 40 HE21 GLN 40 -12.641 6.882 -3.919 181 HE22 GLN 40 HE22 GLN 40 -14.113 7.236 -4.753 182 H CYS 41 H CYS 41 -10.469 10.118 -0.300 183 HA CYS 41 HA CYS 41 -10.739 7.561 1.088 184 HB2 CYS 41 HB1 CYS 41 -8.265 7.145 0.709 185 HB3 CYS 41 HB2 CYS 41 -9.315 6.896 -0.685 186 H LEU 42 H LEU 42 -9.605 7.445 3.067 187 HA LEU 42 HA LEU 42 -8.886 10.081 4.143 188 HB2 LEU 42 HB1 LEU 42 -9.945 7.562 5.392 189 HB3 LEU 42 HB2 LEU 42 -9.150 8.808 6.369 190 HG LEU 42 HG LEU 42 -10.936 10.372 5.206 191 HD11 LEU 42 HD11 LEU 42 -13.085 9.154 4.976 192 HD12 LEU 42 HD12 LEU 42 -12.196 7.637 5.095 193 HD13 LEU 42 HD13 LEU 42 -11.897 8.730 3.743 194 HD21 LEU 42 HD21 LEU 42 -10.961 8.716 7.635 195 HD22 LEU 42 HD22 LEU 42 -12.528 9.362 7.149 196 HD23 LEU 42 HD23 LEU 42 -11.175 10.456 7.440 197 H SER 43 H SER 43 -7.684 6.896 3.509 198 HA SER 43 HA SER 43 -5.010 7.757 4.264 199 HB2 SER 43 HB1 SER 43 -6.174 5.177 5.354 200 HB3 SER 43 HB2 SER 43 -4.552 5.825 5.653 201 HG SER 43 HG SER 43 -6.011 6.273 7.375 202 H ASP 44 H ASP 44 -3.434 5.822 3.763 203 HA ASP 44 HA ASP 44 -3.710 5.277 0.990 204 HB2 ASP 44 HB1 ASP 44 -1.606 4.067 1.196 205 HB3 ASP 44 HB2 ASP 44 -1.521 5.592 2.087 206 HD2 ASP 44 HD ASP 44 -1.392 2.211 4.140 207 H THR 45 H THR 45 -4.542 3.542 3.868 208 HA THR 45 HA THR 45 -4.727 0.959 2.641 209 HB THR 45 HB THR 45 -6.107 0.442 4.754 210 HG1 THR 45 HG1 THR 45 -6.343 2.008 6.190 211 HG21 THR 45 HG21 THR 45 -3.298 0.793 4.327 212 HG22 THR 45 HG22 THR 45 -4.126 -0.379 5.354 213 HG23 THR 45 HG23 THR 45 -3.690 1.204 5.996 214 H ASP 46 H ASP 46 -6.805 3.706 2.945 215 HA ASP 46 HA ASP 46 -9.289 2.390 2.573 216 HB2 ASP 46 HB1 ASP 46 -8.740 4.831 3.368 217 HB3 ASP 46 HB2 ASP 46 -8.817 5.199 1.640 218 HD2 ASP 46 HD ASP 46 -12.171 4.477 3.567 219 H CYS 47 H CYS 47 -6.760 3.375 0.421 220 HA CYS 47 HA CYS 47 -8.341 3.326 -1.967 221 HB2 CYS 47 HB1 CYS 47 -5.675 4.039 -1.230 222 HB3 CYS 47 HB2 CYS 47 -5.587 2.877 -2.555 223 H ASN 48 H ASN 48 -5.573 1.259 -1.085 224 HA ASN 48 HA ASN 48 -7.069 -1.142 -1.662 225 HB2 ASN 48 HB1 ASN 48 -5.013 -0.039 -3.541 226 HB3 ASN 48 HB2 ASN 48 -5.134 -1.791 -3.337 227 HD21 ASN 48 HD21 ASN 48 -5.781 0.070 -5.595 228 HD22 ASN 48 HD22 ASN 48 -7.394 -0.348 -6.051 229 H THR 49 H THR 49 -3.599 -0.391 -1.853 230 HA THR 49 HA THR 49 -2.892 -1.134 0.738 231 HB THR 49 HB THR 49 -3.617 -3.359 0.365 232 HG1 THR 49 HG1 THR 49 -1.331 -2.975 1.122 233 HG21 THR 49 HG21 THR 49 -2.824 -2.823 -2.353 234 HG22 THR 49 HG22 THR 49 -3.876 -4.092 -1.725 235 HG23 THR 49 HG23 THR 49 -2.132 -4.347 -1.796 236 H ARG 50 H ARG 50 -2.034 -1.077 -2.660 237 HA ARG 50 HA ARG 50 0.736 -0.410 -1.917 238 HB2 ARG 50 HB1 ARG 50 -0.388 -1.592 -4.464 239 HB3 ARG 50 HB2 ARG 50 1.282 -1.036 -4.289 240 HG2 ARG 50 HG1 ARG 50 1.912 -2.820 -3.053 241 HG3 ARG 50 HG2 ARG 50 0.335 -2.954 -2.259 242 HD2 ARG 50 HD1 ARG 50 0.664 -4.885 -3.670 243 HD3 ARG 50 HD2 ARG 50 -0.607 -3.865 -4.357 244 HE ARG 50 HE ARG 50 1.658 -3.028 -5.615 245 HH11 ARG 50 HH11 ARG 50 0.090 -6.107 -5.191 246 HH12 ARG 50 HH12 ARG 50 0.654 -6.748 -6.699 247 HH21 ARG 50 HH21 ARG 50 2.407 -3.861 -7.602 248 HH22 ARG 50 HH22 ARG 50 1.973 -5.471 -8.069 249 H LYS 51 H LYS 51 -1.471 1.456 -1.885 250 HA LYS 51 HA LYS 51 -0.340 3.449 -3.680 251 HB2 LYS 51 HB1 LYS 51 -3.117 2.369 -3.857 252 HB3 LYS 51 HB2 LYS 51 -2.881 4.107 -4.113 253 HG2 LYS 51 HG1 LYS 51 -2.040 3.809 -6.154 254 HG3 LYS 51 HG2 LYS 51 -0.980 2.497 -5.607 255 HD2 LYS 51 HD1 LYS 51 -3.302 1.186 -5.496 256 HD3 LYS 51 HD2 LYS 51 -3.723 2.379 -6.738 257 HE2 LYS 51 HE1 LYS 51 -1.580 1.708 -7.931 258 HE3 LYS 51 HE2 LYS 51 -1.496 0.354 -6.794 259 HZ1 LYS 51 HZ1 LYS 51 -4.070 0.587 -8.021 260 HZ2 LYS 51 HZ2 LYS 51 -3.045 -0.754 -7.915 261 HZ3 LYS 51 HZ3 LYS 51 -2.840 0.371 -9.162 262 H PHE 52 H PHE 52 -0.613 5.569 -2.979 263 HA PHE 52 HA PHE 52 -1.553 5.810 -0.209 264 HB2 PHE 52 HB1 PHE 52 -0.225 7.941 -0.203 265 HB3 PHE 52 HB2 PHE 52 0.735 6.478 -0.446 266 HD1 PHE 52 HD1 PHE 52 -0.574 9.494 -2.060 267 HD2 PHE 52 HD2 PHE 52 1.850 6.026 -2.522 268 HE1 PHE 52 HE1 PHE 52 0.377 10.438 -4.125 269 HE2 PHE 52 HE2 PHE 52 2.805 6.965 -4.586 270 HZ PHE 52 HZ PHE 52 2.069 9.173 -5.390 271 H CYS 53 H CYS 53 -2.771 7.674 0.429 272 HA CYS 53 HA CYS 53 -4.664 8.488 -1.623 273 HB2 CYS 53 HB1 CYS 53 -5.471 7.676 0.571 274 HB3 CYS 53 HB2 CYS 53 -4.667 9.038 1.352 275 H LEU 54 H LEU 54 -3.737 10.049 -2.866 276 HA LEU 54 HA LEU 54 -2.486 12.345 -1.555 277 HB2 LEU 54 HB1 LEU 54 -1.255 11.341 -3.385 278 HB3 LEU 54 HB2 LEU 54 -2.653 11.546 -4.456 279 HG LEU 54 HG LEU 54 -2.201 14.115 -3.692 280 HD11 LEU 54 HD11 LEU 54 0.143 14.572 -3.729 281 HD12 LEU 54 HD12 LEU 54 0.523 12.875 -4.016 282 HD13 LEU 54 HD13 LEU 54 -0.159 13.374 -2.470 283 HD21 LEU 54 HD21 LEU 54 -0.635 13.053 -5.986 284 HD22 LEU 54 HD22 LEU 54 -1.689 14.464 -5.892 285 HD23 LEU 54 HD23 LEU 54 -2.387 12.846 -5.995 286 H GLN 55 H GLN 55 -3.494 14.231 -1.315 287 HA GLN 55 HA GLN 55 -5.871 14.776 -2.962 288 HB2 GLN 55 HB1 GLN 55 -5.607 15.524 -0.045 289 HB3 GLN 55 HB2 GLN 55 -7.043 15.668 -1.071 290 HG2 GLN 55 HG1 GLN 55 -6.912 13.120 -1.308 291 HG3 GLN 55 HG2 GLN 55 -5.803 13.193 0.068 292 HE21 GLN 55 HE21 GLN 55 -6.713 14.726 1.865 293 HE22 GLN 55 HE22 GLN 55 -8.345 14.396 2.323 294 HA PRO 56 HA PRO 56 -2.968 18.283 -3.476 295 HB2 PRO 56 HB1 PRO 56 -3.722 18.803 -6.057 296 HB3 PRO 56 HB2 PRO 56 -2.531 17.578 -5.618 297 HG2 PRO 56 HG1 PRO 56 -5.456 17.263 -6.211 298 HG3 PRO 56 HG2 PRO 56 -4.061 16.275 -6.789 299 HD2 PRO 56 HD1 PRO 56 -5.686 15.474 -4.766 300 HD3 PRO 56 HD2 PRO 56 -3.957 15.089 -4.815 301 H ARG 57 H ARG 57 -3.380 20.541 -3.817 302 HA ARG 57 HA ARG 57 -6.011 21.329 -2.912 303 HB2 ARG 57 HB1 ARG 57 -3.339 22.450 -2.906 304 HB3 ARG 57 HB2 ARG 57 -4.526 23.634 -3.474 305 HG2 ARG 57 HG1 ARG 57 -5.487 23.862 -1.454 306 HG3 ARG 57 HG2 ARG 57 -5.312 22.142 -1.069 307 HD2 ARG 57 HD1 ARG 57 -2.715 22.877 -1.032 308 HD3 ARG 57 HD2 ARG 57 -3.478 24.397 -0.547 309 HE ARG 57 HE ARG 57 -4.444 22.120 0.915 310 HH11 ARG 57 HH11 ARG 57 -1.969 24.562 0.730 311 HH12 ARG 57 HH12 ARG 57 -1.587 24.488 2.419 312 HH21 ARG 57 HH21 ARG 57 -3.950 22.014 3.139 313 HH22 ARG 57 HH22 ARG 57 -2.714 23.038 3.788 314 H ASP 58 H ASP 58 -3.961 21.914 -5.752 315 HA ASP 58 HA ASP 58 -5.960 23.460 -7.105 316 HB2 ASP 58 HB1 ASP 58 -3.324 22.256 -7.949 317 HB3 ASP 58 HB2 ASP 58 -4.381 23.090 -9.094 318 HD2 ASP 58 HD ASP 58 -1.997 25.380 -7.371 319 H GLU 59 H GLU 59 -5.219 20.106 -6.816 320 HA GLU 59 HA GLU 59 -7.126 19.490 -8.975 321 HB2 GLU 59 HB1 GLU 59 -4.513 18.435 -8.361 322 HB3 GLU 59 HB2 GLU 59 -5.724 17.146 -8.296 323 HG2 GLU 59 HG1 GLU 59 -5.938 17.079 -10.506 324 HG3 GLU 59 HG2 GLU 59 -6.071 18.840 -10.618 325 HE2 GLU 59 HE GLU 59 -2.874 17.404 -12.012 326 H LYS 60 H LYS 60 -7.933 17.045 -8.508 327 HA LYS 60 HA LYS 60 -9.249 17.218 -5.892 328 HB2 LYS 60 HB1 LYS 60 -10.817 15.498 -6.901 329 HB3 LYS 60 HB2 LYS 60 -10.854 17.111 -7.631 330 HG2 LYS 60 HG1 LYS 60 -8.964 15.246 -8.892 331 HG3 LYS 60 HG2 LYS 60 -10.672 14.791 -9.020 332 HD2 LYS 60 HD1 LYS 60 -11.162 16.489 -10.421 333 HD3 LYS 60 HD2 LYS 60 -10.121 17.627 -9.550 334 HE2 LYS 60 HE1 LYS 60 -8.488 17.381 -11.049 335 HE3 LYS 60 HE2 LYS 60 -8.509 15.626 -10.824 336 HZ1 LYS 60 HZ1 LYS 60 -9.663 15.326 -12.695 337 HZ2 LYS 60 HZ2 LYS 60 -9.203 16.903 -13.095 338 HZ3 LYS 60 HZ3 LYS 60 -10.714 16.618 -12.390 339 HA PRO 61 HA PRO 61 -7.197 13.690 -4.278 340 HB2 PRO 61 HB1 PRO 61 -9.176 12.546 -2.769 341 HB3 PRO 61 HB2 PRO 61 -8.361 14.045 -2.328 342 HG2 PRO 61 HG1 PRO 61 -10.990 13.648 -3.717 343 HG3 PRO 61 HG2 PRO 61 -10.571 14.766 -2.364 344 HD2 PRO 61 HD1 PRO 61 -10.784 15.598 -4.940 345 HD3 PRO 61 HD2 PRO 61 -9.628 16.304 -3.799 346 H PHE 62 H PHE 62 -6.724 11.663 -4.916 347 HA PHE 62 HA PHE 62 -8.733 9.841 -5.869 348 HB2 PHE 62 HB1 PHE 62 -7.955 9.592 -8.124 349 HB3 PHE 62 HB2 PHE 62 -8.297 11.303 -7.857 350 HD1 PHE 62 HD1 PHE 62 -6.281 12.779 -7.125 351 HD2 PHE 62 HD2 PHE 62 -5.917 9.000 -9.049 352 HE1 PHE 62 HE1 PHE 62 -4.008 13.374 -7.855 353 HE2 PHE 62 HE2 PHE 62 -3.642 9.588 -9.781 354 HZ PHE 62 HZ PHE 62 -2.684 11.777 -9.184 355 H CYS 63 H CYS 63 -7.458 7.866 -6.950 356 HA CYS 63 HA CYS 63 -5.627 6.985 -4.896 357 HB2 CYS 63 HB1 CYS 63 -7.529 5.704 -6.351 358 HB3 CYS 63 HB2 CYS 63 -6.081 5.267 -7.258 359 H ALA 64 H ALA 64 -3.557 7.544 -5.013 360 HA ALA 64 HA ALA 64 -2.283 7.766 -7.651 361 HB1 ALA 64 HB1 ALA 64 -0.426 8.795 -6.049 362 HB2 ALA 64 HB2 ALA 64 -1.777 9.747 -6.663 363 HB3 ALA 64 HB3 ALA 64 -1.839 9.079 -5.032 364 H THR 65 H THR 65 -0.407 6.661 -8.145 365 HA THR 65 HA THR 65 0.144 4.339 -6.441 366 HB THR 65 HB THR 65 1.323 4.631 -9.172 367 HG1 THR 65 HG1 THR 65 -1.400 4.294 -8.546 368 HG21 THR 65 HG21 THR 65 0.404 2.382 -7.404 369 HG22 THR 65 HG22 THR 65 2.007 2.673 -8.080 370 HG23 THR 65 HG23 THR 65 0.692 2.140 -9.126 371 H CYS 66 H CYS 66 2.444 3.587 -6.384 372 HA CYS 66 HA CYS 66 4.101 5.647 -5.361 373 HB2 CYS 66 HB1 CYS 66 5.810 3.877 -5.140 374 HB3 CYS 66 HB2 CYS 66 4.249 3.393 -4.476 375 H ARG 67 H ARG 67 6.513 5.681 -6.116 376 HA ARG 67 HA ARG 67 6.469 6.232 -9.002 377 HB2 ARG 67 HB1 ARG 67 8.523 7.219 -7.024 378 HB3 ARG 67 HB2 ARG 67 8.182 7.840 -8.645 379 HG2 ARG 67 HG1 ARG 67 5.778 8.241 -7.534 380 HG3 ARG 67 HG2 ARG 67 6.800 8.362 -6.090 381 HD2 ARG 67 HD1 ARG 67 8.029 10.172 -6.961 382 HD3 ARG 67 HD2 ARG 67 7.454 9.865 -8.604 383 HE ARG 67 HE ARG 67 5.352 10.535 -6.764 384 HH11 ARG 67 HH11 ARG 67 7.781 11.793 -8.917 385 HH12 ARG 67 HH12 ARG 67 6.963 13.300 -9.170 386 HH21 ARG 67 HH21 ARG 67 4.266 12.515 -7.088 387 HH22 ARG 67 HH22 ARG 67 4.965 13.710 -8.128 388 H GLY 68 H GLY 68 9.072 6.273 -9.663 389 HA2 GLY 68 HA2 GLY 68 9.783 3.441 -9.468 390 HA3 GLY 68 HA3 GLY 68 10.408 4.589 -10.644 391 HA1 GLY 68 HA1 GLY 68 9.754 3.926 -8.732 392 H LEU 69 H LEU 69 12.325 3.171 -9.730 393 HA LEU 69 HA LEU 69 13.415 3.999 -7.222 394 HB2 LEU 69 HB1 LEU 69 14.338 2.340 -9.524 395 HB3 LEU 69 HB2 LEU 69 15.540 2.937 -8.367 396 HG LEU 69 HG LEU 69 13.166 1.200 -7.690 397 HD11 LEU 69 HD11 LEU 69 15.626 0.511 -8.841 398 HD12 LEU 69 HD12 LEU 69 14.428 -0.568 -8.128 399 HD13 LEU 69 HD13 LEU 69 15.742 0.066 -7.139 400 HD21 LEU 69 HD21 LEU 69 14.561 0.980 -5.527 401 HD22 LEU 69 HD22 LEU 69 13.571 2.423 -5.759 402 HD23 LEU 69 HD23 LEU 69 15.311 2.491 -6.045 403 H ARG 70 H ARG 70 13.582 5.166 -10.477 404 HA ARG 70 HA ARG 70 15.875 6.872 -9.908 405 HB2 ARG 70 HB1 ARG 70 14.201 6.591 -12.415 406 HB3 ARG 70 HB2 ARG 70 15.686 7.543 -12.267 407 HG2 ARG 70 HG1 ARG 70 16.542 5.105 -11.411 408 HG3 ARG 70 HG2 ARG 70 15.332 4.661 -12.625 409 HD2 ARG 70 HD1 ARG 70 16.763 6.749 -13.801 410 HD3 ARG 70 HD2 ARG 70 17.983 5.764 -12.980 411 HE ARG 70 HE ARG 70 16.362 3.995 -14.351 412 HH11 ARG 70 HH11 ARG 70 18.458 6.667 -15.118 413 HH12 ARG 70 HH12 ARG 70 18.883 6.054 -16.681 414 HH21 ARG 70 HH21 ARG 70 16.914 3.179 -16.408 415 HH22 ARG 70 HH22 ARG 70 18.003 4.070 -17.414 416 H ARG 71 H ARG 71 12.585 6.986 -9.457 417 HA ARG 71 HA ARG 71 12.188 9.779 -10.073 418 HB2 ARG 71 HB1 ARG 71 10.539 7.501 -9.294 419 HB3 ARG 71 HB2 ARG 71 10.085 8.987 -8.447 420 HG2 ARG 71 HG1 ARG 71 8.796 8.655 -10.513 421 HG3 ARG 71 HG2 ARG 71 9.764 10.139 -10.544 422 HD2 ARG 71 HD1 ARG 71 11.359 9.213 -12.014 423 HD3 ARG 71 HD2 ARG 71 10.777 7.568 -11.720 424 HE ARG 71 HE ARG 71 8.807 9.298 -12.905 425 HH11 ARG 71 HH11 ARG 71 11.459 7.126 -13.511 426 HH12 ARG 71 HH12 ARG 71 10.951 6.747 -15.124 427 HH21 ARG 71 HH21 ARG 71 8.128 8.807 -15.026 428 HH22 ARG 71 HH22 ARG 71 9.057 7.705 -15.985 429 H ARG 72 H ARG 72 11.778 11.430 -8.554 430 HA ARG 72 HA ARG 72 13.371 11.207 -6.160 431 HB2 ARG 72 HB1 ARG 72 11.716 13.511 -7.222 432 HB3 ARG 72 HB2 ARG 72 12.858 13.600 -5.872 433 HG2 ARG 72 HG1 ARG 72 14.183 12.491 -8.162 434 HG3 ARG 72 HG2 ARG 72 13.379 14.008 -8.599 435 HD2 ARG 72 HD1 ARG 72 15.085 13.775 -6.126 436 HD3 ARG 72 HD2 ARG 72 15.773 14.150 -7.712 437 HE ARG 72 HE ARG 72 13.765 15.961 -7.434 438 HH11 ARG 72 HH11 ARG 72 16.516 15.059 -5.501 439 HH12 ARG 72 HH12 ARG 72 16.717 16.638 -4.816 440 HH21 ARG 72 HH21 ARG 72 14.019 18.044 -6.539 441 HH22 ARG 72 HH22 ARG 72 15.296 18.335 -5.407 442 H CYS 73 H CYS 73 12.614 11.708 -4.030 443 HA CYS 73 HA CYS 73 9.736 11.560 -3.580 444 HB2 CYS 73 HB1 CYS 73 10.016 9.770 -1.882 445 HB3 CYS 73 HB2 CYS 73 10.374 9.229 -3.524 446 H GLN 74 H GLN 74 9.127 12.097 -1.373 447 HA GLN 74 HA GLN 74 11.170 13.750 -0.039 448 HB2 GLN 74 HB1 GLN 74 8.906 14.690 -1.165 449 HB3 GLN 74 HB2 GLN 74 8.307 14.319 0.460 450 HG2 GLN 74 HG1 GLN 74 10.055 15.724 1.441 451 HG3 GLN 74 HG2 GLN 74 10.645 16.102 -0.183 452 HE21 GLN 74 HE21 GLN 74 10.003 18.162 1.377 453 HE22 GLN 74 HE22 GLN 74 8.526 18.898 0.868 454 H ARG 75 H ARG 75 8.764 11.286 0.307 455 HA ARG 75 HA ARG 75 9.523 10.997 3.133 456 HB2 ARG 75 HB1 ARG 75 6.739 10.433 2.112 457 HB3 ARG 75 HB2 ARG 75 7.288 10.532 3.792 458 HG2 ARG 75 HG1 ARG 75 7.683 12.934 3.537 459 HG3 ARG 75 HG2 ARG 75 7.121 12.835 1.860 460 HD2 ARG 75 HD1 ARG 75 4.946 12.764 2.449 461 HD3 ARG 75 HD2 ARG 75 5.267 11.692 3.820 462 HE ARG 75 HE ARG 75 5.333 13.522 5.186 463 HH11 ARG 75 HH11 ARG 75 5.710 14.563 1.886 464 HH12 ARG 75 HH12 ARG 75 5.623 16.250 2.270 465 HH21 ARG 75 HH21 ARG 75 5.216 15.741 5.706 466 HH22 ARG 75 HH22 ARG 75 5.343 16.919 4.443 467 H ASP 76 H ASP 76 8.724 8.750 3.943 468 HA ASP 76 HA ASP 76 9.925 6.794 2.204 469 HB2 ASP 76 HB1 ASP 76 9.381 5.224 4.133 470 HB3 ASP 76 HB2 ASP 76 10.476 6.564 4.497 471 HD2 ASP 76 HD ASP 76 8.247 7.998 6.709 472 H ALA 77 H ALA 77 6.735 7.156 3.752 473 HA ALA 77 HA ALA 77 5.531 4.953 2.487 474 HB1 ALA 77 HB1 ALA 77 3.573 5.622 3.474 475 HB2 ALA 77 HB2 ALA 77 4.752 6.445 4.497 476 HB3 ALA 77 HB3 ALA 77 3.907 7.337 3.231 477 H MET 78 H MET 78 6.238 8.145 1.372 478 HA MET 78 HA MET 78 4.337 8.532 -0.604 479 HB2 MET 78 HB1 MET 78 7.084 9.473 -0.086 480 HB3 MET 78 HB2 MET 78 6.564 9.570 -1.775 481 HG2 MET 78 HG1 MET 78 4.400 10.635 -0.573 482 HG3 MET 78 HG2 MET 78 5.659 11.097 0.574 483 HE1 MET 78 HE1 MET 78 4.527 10.921 -2.956 484 HE2 MET 78 HE2 MET 78 5.049 12.427 -3.712 485 HE3 MET 78 HE3 MET 78 6.157 11.057 -3.617 486 H CYS 79 H CYS 79 7.039 6.351 -0.523 487 HA CYS 79 HA CYS 79 6.638 5.663 -3.349 488 HB2 CYS 79 HB1 CYS 79 8.931 5.729 -1.578 489 HB3 CYS 79 HB2 CYS 79 8.761 4.141 -2.328 490 H CYS 80 H CYS 80 7.032 3.212 -3.758 491 HA CYS 80 HA CYS 80 4.884 1.806 -2.602 492 HB2 CYS 80 HB1 CYS 80 6.980 1.289 -4.584 493 HB3 CYS 80 HB2 CYS 80 6.498 -0.152 -3.687 494 HA PRO 81 HA PRO 81 6.517 -0.100 0.995 495 HB2 PRO 81 HB1 PRO 81 5.423 -2.608 0.887 496 HB3 PRO 81 HB2 PRO 81 4.490 -1.155 1.242 497 HG2 PRO 81 HG1 PRO 81 4.824 -2.609 -1.359 498 HG3 PRO 81 HG2 PRO 81 3.323 -1.959 -0.600 499 HD2 PRO 81 HD1 PRO 81 4.622 -0.678 -2.612 500 HD3 PRO 81 HD2 PRO 81 3.772 0.185 -1.320 501 H GLY 82 H GLY 82 8.603 -0.606 1.228 502 HA2 GLY 82 HA2 GLY 82 10.165 -2.498 1.315 503 HA3 GLY 82 HA3 GLY 82 9.651 -2.895 -0.318 504 HA1 GLY 82 HA1 GLY 82 10.107 -1.619 1.318 505 H THR 83 H THR 83 10.026 0.438 0.363 506 HA THR 83 HA THR 83 12.739 0.449 -0.765 507 HB THR 83 HB THR 83 12.018 2.521 -2.086 508 HG1 THR 83 HG1 THR 83 9.442 1.401 -2.087 509 HG21 THR 83 HG21 THR 83 12.519 0.760 -3.468 510 HG22 THR 83 HG22 THR 83 10.799 0.938 -3.819 511 HG23 THR 83 HG23 THR 83 11.348 -0.313 -2.705 512 H LEU 84 H LEU 84 13.883 2.494 -0.441 513 HA LEU 84 HA LEU 84 12.861 4.022 1.859 514 HB2 LEU 84 HB1 LEU 84 15.003 2.284 1.918 515 HB3 LEU 84 HB2 LEU 84 15.766 3.864 1.675 516 HG LEU 84 HG LEU 84 15.745 3.427 4.013 517 HD11 LEU 84 HD11 LEU 84 13.434 5.292 3.544 518 HD12 LEU 84 HD12 LEU 84 15.106 5.725 3.193 519 HD13 LEU 84 HD13 LEU 84 14.626 5.335 4.843 520 HD21 LEU 84 HD21 LEU 84 13.711 1.797 3.672 521 HD22 LEU 84 HD22 LEU 84 12.777 3.218 4.139 522 HD23 LEU 84 HD23 LEU 84 14.004 2.572 5.229 523 H CYS 85 H CYS 85 13.136 6.205 1.810 524 HA CYS 85 HA CYS 85 13.824 7.372 -0.736 525 HB2 CYS 85 HB1 CYS 85 11.934 8.072 0.907 526 HB3 CYS 85 HB2 CYS 85 13.213 8.947 1.749 527 H VAL 86 H VAL 86 15.985 7.289 -1.114 528 HA VAL 86 HA VAL 86 17.744 8.557 0.884 529 HB VAL 86 HB VAL 86 18.476 6.508 -1.213 530 HG11 VAL 86 HG11 VAL 86 20.689 6.522 -0.177 531 HG12 VAL 86 HG12 VAL 86 20.276 8.112 -0.821 532 HG13 VAL 86 HG13 VAL 86 20.175 7.808 0.914 533 HG21 VAL 86 HG21 VAL 86 17.243 5.491 0.593 534 HG22 VAL 86 HG22 VAL 86 18.946 5.061 0.743 535 HG23 VAL 86 HG23 VAL 86 18.256 6.302 1.788 536 H ASN 87 H ASN 87 18.880 10.310 0.303 537 HA ASN 87 HA ASN 87 19.561 12.109 -0.913 538 HB2 ASN 87 HB1 ASN 87 20.716 9.980 -2.049 539 HB3 ASN 87 HB2 ASN 87 19.729 10.506 -3.417 540 HD21 ASN 87 HD21 ASN 87 21.542 11.059 -4.620 541 HD22 ASN 87 HD22 ASN 87 22.470 12.477 -4.282 542 H ASP 88 H ASP 88 16.753 11.660 -0.740 543 HA ASP 88 HA ASP 88 14.808 12.507 -1.564 544 HB2 ASP 88 HB1 ASP 88 16.798 14.300 -2.348 545 HB3 ASP 88 HB2 ASP 88 15.871 13.997 -3.823 546 HD2 ASP 88 HD ASP 88 13.701 15.457 -0.838 547 H VAL 89 H VAL 89 16.092 10.068 -2.698 548 HA VAL 89 HA VAL 89 14.399 9.882 -5.084 549 HB VAL 89 HB VAL 89 17.259 8.914 -4.975 550 HG11 VAL 89 HG11 VAL 89 16.895 8.209 -7.294 551 HG12 VAL 89 HG12 VAL 89 15.822 7.359 -6.181 552 HG13 VAL 89 HG13 VAL 89 15.201 8.682 -7.169 553 HG21 VAL 89 HG21 VAL 89 17.527 11.131 -5.463 554 HG22 VAL 89 HG22 VAL 89 17.247 10.503 -7.088 555 HG23 VAL 89 HG23 VAL 89 15.931 11.276 -6.202 556 H CYS 90 H CYS 90 13.487 7.878 -5.438 557 HA CYS 90 HA CYS 90 13.177 6.195 -3.183 558 HB2 CYS 90 HB1 CYS 90 11.695 6.644 -5.381 559 HB3 CYS 90 HB2 CYS 90 12.484 5.145 -5.874 560 H THR 91 H THR 91 14.834 5.024 -2.445 561 HA THR 91 HA THR 91 16.386 3.438 -4.386 562 HB THR 91 HB THR 91 17.278 4.403 -1.661 563 HG1 THR 91 HG1 THR 91 18.436 5.186 -4.111 564 HG21 THR 91 HG21 THR 91 19.463 3.530 -2.283 565 HG22 THR 91 HG22 THR 91 18.822 2.972 -3.827 566 HG23 THR 91 HG23 THR 91 18.260 2.242 -2.324 567 H THR 92 H THR 92 16.161 1.308 -4.275 568 HA THR 92 HA THR 92 14.400 -0.025 -2.623 569 HB THR 92 HB THR 92 16.076 -2.050 -3.171 570 HG1 THR 92 HG1 THR 92 16.584 -0.384 -5.381 571 HG21 THR 92 HG21 THR 92 13.921 -0.694 -4.640 572 HG22 THR 92 HG22 THR 92 14.103 -2.394 -4.209 573 HG23 THR 92 HG23 THR 92 14.936 -1.748 -5.622 574 H MET 93 H MET 93 14.576 -1.256 -0.758 575 HA MET 93 HA MET 93 16.270 -0.315 1.254 576 HB2 MET 93 HB1 MET 93 14.393 -2.603 0.947 577 HB3 MET 93 HB2 MET 93 15.559 -2.687 2.276 578 HG2 MET 93 HG1 MET 93 14.654 -0.892 3.394 579 HG3 MET 93 HG2 MET 93 13.966 -0.201 1.923 580 HE1 MET 93 HE1 MET 93 11.530 -0.229 4.224 581 HE2 MET 93 HE2 MET 93 11.647 -1.786 5.043 582 HE3 MET 93 HE3 MET 93 13.077 -0.767 4.879 583 H GLU 94 H GLU 94 16.541 -3.130 -0.860 584 HA GLU 94 HA GLU 94 18.713 -4.377 0.385 585 HB2 GLU 94 HB1 GLU 94 17.924 -4.310 -2.536 586 HB3 GLU 94 HB2 GLU 94 19.131 -5.409 -1.848 587 HG2 GLU 94 HG1 GLU 94 17.530 -6.584 -0.593 588 HG3 GLU 94 HG2 GLU 94 16.313 -5.321 -0.831 589 HE2 GLU 94 HE GLU 94 16.977 -7.252 -4.206 590 H ASP 95 H ASP 95 18.545 -1.563 -1.628 591 HA ASP 95 HA ASP 95 21.415 -1.526 -2.103 592 HB2 ASP 95 HB1 ASP 95 19.397 -0.691 -3.657 593 HB3 ASP 95 HB2 ASP 95 19.711 0.815 -2.785 594 HD2 ASP 95 HD ASP 95 21.869 0.713 -5.702 595 H ALA 96 H ALA 96 19.011 0.052 -0.106 596 HA ALA 96 HA ALA 96 20.800 2.075 0.875 597 HB1 ALA 96 HB1 ALA 96 18.577 2.744 0.920 598 HB2 ALA 96 HB2 ALA 96 18.024 1.207 1.586 599 HB3 ALA 96 HB3 ALA 96 18.906 2.343 2.606 600 H THR 97 H THR 97 20.965 2.279 3.373 601 HA THR 97 HA THR 97 21.929 1.534 5.295 602 HB THR 97 HB THR 97 20.776 -1.192 4.744 603 HG1 THR 97 HG1 THR 97 19.445 1.174 5.592 604 HG21 THR 97 HG21 THR 97 21.282 -1.602 6.878 605 HG22 THR 97 HG22 THR 97 20.488 -0.120 7.410 606 HG23 THR 97 HG23 THR 97 22.173 -0.080 6.892 607 H GLU 98 H GLU 98 23.953 1.765 4.010 608 HA GLU 98 HA GLU 98 26.029 1.047 3.417 609 HB2 GLU 98 HB1 GLU 98 25.328 -0.334 5.708 610 HB3 GLU 98 HB2 GLU 98 25.859 -1.615 4.607 611 HG2 GLU 98 HG1 GLU 98 27.857 -1.121 5.551 612 HG3 GLU 98 HG2 GLU 98 27.878 0.045 4.220 613 HE2 GLU 98 HE GLU 98 27.927 1.400 7.875 614 H ASN 99 H ASN 99 27.230 -1.018 2.471 615 HA ASN 99 HA ASN 99 25.548 -1.916 0.247 616 HB2 ASN 99 HB1 ASN 99 27.530 -2.245 -1.007 617 HB3 ASN 99 HB2 ASN 99 27.765 -0.724 -0.137 618 HD21 ASN 99 HD21 ASN 99 29.727 -2.601 -1.221 619 HD22 ASN 99 HD22 ASN 99 30.736 -3.049 0.108 620 H LEU 100 H LEU 100 26.676 -4.148 -0.638 621 HA LEU 100 HA LEU 100 26.089 -6.059 1.488 622 HB2 LEU 100 HB1 LEU 100 25.968 -6.042 -1.458 623 HB3 LEU 100 HB2 LEU 100 26.494 -7.569 -0.729 624 HG LEU 100 HG LEU 100 24.092 -7.558 -1.186 625 HD11 LEU 100 HD11 LEU 100 23.764 -7.540 1.641 626 HD12 LEU 100 HD12 LEU 100 25.354 -8.201 1.257 627 HD13 LEU 100 HD13 LEU 100 23.906 -8.918 0.550 628 HD21 LEU 100 HD21 LEU 100 22.599 -6.018 -0.342 629 HD22 LEU 100 HD22 LEU 100 23.992 -4.999 -0.705 630 HD23 LEU 100 HD23 LEU 100 23.685 -5.516 0.954 631 H TYR 101 H TYR 101 27.452 -7.825 1.972 632 HA TYR 101 HA TYR 101 30.240 -7.174 1.937 633 HB2 TYR 101 HB1 TYR 101 28.507 -8.926 3.392 634 HB3 TYR 101 HB2 TYR 101 29.850 -9.875 2.748 635 HD1 TYR 101 HD1 TYR 101 31.489 -10.231 4.324 636 HD2 TYR 101 HD2 TYR 101 29.579 -6.432 4.190 637 HE1 TYR 101 HE1 TYR 101 32.957 -9.436 6.130 638 HE2 TYR 101 HE2 TYR 101 31.042 -5.626 5.995 639 HH TYR 101 HH TYR 101 32.381 -6.569 7.837 640 H PHE 102 H PHE 102 31.935 -8.539 1.112 641 HA PHE 102 HA PHE 102 31.271 -10.519 -0.888 642 HB2 PHE 102 HB1 PHE 102 32.301 -9.428 -2.758 643 HB3 PHE 102 HB2 PHE 102 31.100 -8.324 -2.086 644 HD1 PHE 102 HD1 PHE 102 34.638 -8.883 -2.679 645 HD2 PHE 102 HD2 PHE 102 31.776 -6.336 -0.826 646 HE1 PHE 102 HE1 PHE 102 36.347 -7.128 -2.461 647 HE2 PHE 102 HE2 PHE 102 33.480 -4.576 -0.605 648 HZ PHE 102 HZ PHE 102 35.769 -4.970 -1.424 649 H GLN 103 H GLN 103 32.977 -11.884 -1.379 650 HA GLN 103 HA GLN 103 35.529 -11.336 -0.025 651 HB2 GLN 103 HB1 GLN 103 35.615 -13.843 0.442 652 HB3 GLN 103 HB2 GLN 103 34.506 -12.880 1.429 653 HG2 GLN 103 HG1 GLN 103 32.647 -13.835 0.553 654 HG3 GLN 103 HG2 GLN 103 33.395 -14.079 -1.031 655 HE21 GLN 103 HE21 GLN 103 32.136 -16.157 -0.557 656 HE22 GLN 103 HE22 GLN 103 33.047 -17.440 0.154 657 H SER 104 H SER 104 37.205 -11.456 -1.355 658 HA SER 104 HA SER 104 36.885 -12.935 -3.878 659 HB2 SER 104 HB1 SER 104 37.312 -10.407 -3.908 660 HB3 SER 104 HB2 SER 104 38.948 -10.798 -3.348 661 HG SER 104 HG SER 104 39.428 -11.277 -5.324 662 H LEU 105 H LEU 105 37.637 -14.944 -3.429 663 HA LEU 105 HA LEU 105 40.207 -15.224 -2.059 664 HB2 LEU 105 HB1 LEU 105 38.073 -17.218 -2.826 665 HB3 LEU 105 HB2 LEU 105 39.637 -17.672 -2.123 666 HG LEU 105 HG LEU 105 37.687 -15.847 -0.732 667 HD11 LEU 105 HD11 LEU 105 36.948 -17.756 0.549 668 HD12 LEU 105 HD12 LEU 105 38.011 -18.821 -0.369 669 HD13 LEU 105 HD13 LEU 105 36.648 -18.038 -1.166 670 HD21 LEU 105 HD21 LEU 105 39.634 -17.544 0.704 671 HD22 LEU 105 HD22 LEU 105 39.095 -15.898 1.039 672 HD23 LEU 105 HD23 LEU 105 40.295 -16.194 -0.221 673 H GLU 106 H GLU 106 41.747 -16.850 -2.937 674 HA GLU 106 HA GLU 106 41.628 -17.347 -5.786 675 HB2 GLU 106 HB1 GLU 106 43.048 -15.089 -4.726 676 HB3 GLU 106 HB2 GLU 106 44.205 -16.245 -5.405 677 HG2 GLU 106 HG1 GLU 106 41.780 -15.377 -6.950 678 HG3 GLU 106 HG2 GLU 106 43.267 -14.418 -6.934 679 HE2 GLU 106 HE GLU 106 44.390 -17.853 -8.298 680 H HIS 107 H HIS 107 42.645 -19.192 -6.308 681 HA HIS 107 HA HIS 107 44.282 -20.464 -4.219 682 HB2 HIS 107 HB1 HIS 107 43.709 -22.607 -5.371 683 HB3 HIS 107 HB2 HIS 107 42.315 -21.761 -4.694 684 HD1 HIS 107 HD1 HIS 107 40.737 -20.507 -6.419 685 HD2 HIS 107 HD2 HIS 107 43.582 -23.025 -8.099 686 HE1 HIS 107 HE1 HIS 107 39.991 -20.875 -8.792 687 HE2 HIS 107 HE2 HIS 107 41.729 -22.412 -9.820 688 H HIS 108 H HIS 108 46.213 -21.501 -4.767 689 HA HIS 108 HA HIS 108 47.321 -20.726 -7.386 690 HB2 HIS 108 HB1 HIS 108 48.257 -20.175 -4.766 691 HB3 HIS 108 HB2 HIS 108 49.381 -21.334 -5.483 692 HD1 HIS 108 HD1 HIS 108 49.296 -20.305 -8.416 693 HD2 HIS 108 HD2 HIS 108 49.761 -17.895 -5.064 694 HE1 HIS 108 HE1 HIS 108 50.429 -18.218 -9.241 695 HE2 HIS 108 HE2 HIS 108 50.714 -16.743 -7.195 696 H HIS 109 H HIS 109 49.488 -22.173 -7.668 697 HA HIS 109 HA HIS 109 49.275 -24.891 -6.853 698 HB2 HIS 109 HB1 HIS 109 48.640 -25.941 -8.896 699 HB3 HIS 109 HB2 HIS 109 47.417 -24.715 -8.546 700 HD1 HIS 109 HD1 HIS 109 47.947 -25.797 -11.427 701 HD2 HIS 109 HD2 HIS 109 49.516 -22.281 -9.864 702 HE1 HIS 109 HE1 HIS 109 48.484 -24.356 -13.418 703 HE2 HIS 109 HE2 HIS 109 49.443 -22.208 -12.464 704 H HIS 110 H HIS 110 50.873 -26.287 -8.063 705 HA HIS 110 HA HIS 110 53.073 -24.702 -9.194 706 HB2 HIS 110 HB1 HIS 110 53.251 -25.444 -6.660 707 HB3 HIS 110 HB2 HIS 110 53.722 -26.988 -7.379 708 HD1 HIS 110 HD1 HIS 110 56.107 -26.615 -6.320 709 HD2 HIS 110 HD2 HIS 110 55.028 -23.880 -9.256 710 HE1 HIS 110 HE1 HIS 110 58.243 -25.464 -6.984 711 HE2 HIS 110 HE2 HIS 110 57.584 -23.792 -8.778 712 H HIS 111 H HIS 111 51.841 -27.986 -8.606 713 HA HIS 111 HA HIS 111 51.826 -29.862 -9.893 714 HB2 HIS 111 HB1 HIS 111 51.442 -27.650 -11.690 715 HB3 HIS 111 HB2 HIS 111 52.391 -28.902 -12.496 716 HD1 HIS 111 HD1 HIS 111 51.064 -31.422 -11.343 717 HD2 HIS 111 HD2 HIS 111 48.969 -28.126 -12.760 718 HE1 HIS 111 HE1 HIS 111 48.782 -32.287 -11.954 719 HE2 HIS 111 HE2 HIS 111 47.501 -30.271 -12.820 720 H HIS 112 H HIS 112 53.177 -31.143 -11.537 721 HA HIS 112 HA HIS 112 56.019 -30.546 -11.045 722 HB2 HIS 112 HB1 HIS 112 55.194 -32.590 -9.934 723 HB3 HIS 112 HB2 HIS 112 54.711 -33.236 -11.507 724 HD1 HIS 112 HD1 HIS 112 57.942 -31.448 -11.456 725 HD2 HIS 112 HD2 HIS 112 56.580 -35.353 -11.053 726 HE1 HIS 112 HE1 HIS 112 59.979 -32.901 -11.712 727 HE2 HIS 112 HE2 HIS 112 59.147 -35.287 -11.467 Start of MODEL 31 1 H1 MET 18 H MET 18 16.458 -15.702 5.491 2 HA MET 18 HA MET 18 13.612 -15.370 5.254 3 HB2 MET 18 HB1 MET 18 15.350 -16.834 7.247 4 HB3 MET 18 HB2 MET 18 13.582 -16.819 7.324 5 HG2 MET 18 HG1 MET 18 13.361 -18.017 5.311 6 HG3 MET 18 HG2 MET 18 15.050 -17.735 4.876 7 HE1 MET 18 HE1 MET 18 14.974 -19.953 4.143 8 HE2 MET 18 HE2 MET 18 15.881 -21.128 5.096 9 HE3 MET 18 HE3 MET 18 14.122 -21.226 5.016 10 H LEU 19 H LEU 19 13.816 -12.968 5.545 11 HA LEU 19 HA LEU 19 13.564 -12.320 8.402 12 HB2 LEU 19 HB1 LEU 19 15.472 -11.289 6.502 13 HB3 LEU 19 HB2 LEU 19 14.423 -9.991 7.096 14 HG LEU 19 HG LEU 19 15.159 -11.319 9.404 15 HD11 LEU 19 HD11 LEU 19 17.735 -11.168 9.076 16 HD12 LEU 19 HD12 LEU 19 17.349 -11.440 7.377 17 HD13 LEU 19 HD13 LEU 19 16.873 -12.628 8.590 18 HD21 LEU 19 HD21 LEU 19 16.242 -8.857 8.054 19 HD22 LEU 19 HD22 LEU 19 16.668 -9.322 9.701 20 HD23 LEU 19 HD23 LEU 19 14.990 -8.958 9.293 21 H VAL 20 H VAL 20 12.755 -11.460 5.072 22 HA VAL 20 HA VAL 20 10.887 -9.442 5.629 23 HB VAL 20 HB VAL 20 10.867 -11.358 3.294 24 HG11 VAL 20 HG11 VAL 20 9.896 -9.088 2.290 25 HG12 VAL 20 HG12 VAL 20 8.865 -10.317 3.026 26 HG13 VAL 20 HG13 VAL 20 9.352 -8.900 3.957 27 HG21 VAL 20 HG21 VAL 20 11.937 -9.078 2.328 28 HG22 VAL 20 HG22 VAL 20 12.571 -9.051 3.974 29 HG23 VAL 20 HG23 VAL 20 12.894 -10.433 2.927 30 H LEU 21 H LEU 21 8.972 -9.529 6.587 31 HA LEU 21 HA LEU 21 7.747 -12.076 7.181 32 HB2 LEU 21 HB1 LEU 21 7.472 -9.283 8.078 33 HB3 LEU 21 HB2 LEU 21 5.968 -10.219 8.056 34 HG LEU 21 HG LEU 21 8.474 -10.958 9.567 35 HD11 LEU 21 HD11 LEU 21 6.823 -8.978 10.254 36 HD12 LEU 21 HD12 LEU 21 7.586 -10.042 11.436 37 HD13 LEU 21 HD13 LEU 21 5.923 -10.338 10.928 38 HD21 LEU 21 HD21 LEU 21 7.620 -13.014 9.551 39 HD22 LEU 21 HD22 LEU 21 6.117 -12.463 8.808 40 HD23 LEU 21 HD23 LEU 21 6.316 -12.385 10.559 41 H ASP 22 H ASP 22 5.593 -12.655 6.640 42 HA ASP 22 HA ASP 22 4.593 -11.344 4.197 43 HB2 ASP 22 HB1 ASP 22 5.403 -14.008 4.557 44 HB3 ASP 22 HB2 ASP 22 3.637 -14.055 4.526 45 HD2 ASP 22 HD ASP 22 5.364 -12.629 1.240 46 H PHE 23 H PHE 23 2.158 -12.326 3.894 47 HA PHE 23 HA PHE 23 -0.006 -12.059 4.540 48 HB2 PHE 23 HB1 PHE 23 0.750 -13.961 6.051 49 HB3 PHE 23 HB2 PHE 23 0.933 -12.753 7.324 50 HD1 PHE 23 HD1 PHE 23 -1.668 -13.569 4.770 51 HD2 PHE 23 HD2 PHE 23 -0.776 -12.702 8.841 52 HE1 PHE 23 HE1 PHE 23 -4.055 -13.771 5.333 53 HE2 PHE 23 HE2 PHE 23 -3.160 -12.903 9.410 54 HZ PHE 23 HZ PHE 23 -4.803 -13.439 7.656 55 H ASN 24 H ASN 24 0.890 -9.697 4.190 56 HA ASN 24 HA ASN 24 0.913 -8.064 6.565 57 HB2 ASN 24 HB1 ASN 24 1.052 -7.464 3.608 58 HB3 ASN 24 HB2 ASN 24 0.946 -6.181 4.821 59 HD21 ASN 24 HD21 ASN 24 2.901 -5.282 4.753 60 HD22 ASN 24 HD22 ASN 24 4.389 -6.119 5.017 61 H ASN 25 H ASN 25 -1.350 -8.872 4.006 62 HA ASN 25 HA ASN 25 -3.338 -7.031 5.103 63 HB2 ASN 25 HB1 ASN 25 -2.729 -7.824 2.504 64 HB3 ASN 25 HB2 ASN 25 -4.226 -8.685 2.877 65 HD21 ASN 25 HD21 ASN 25 -3.995 -6.661 0.948 66 HD22 ASN 25 HD22 ASN 25 -4.976 -5.327 1.446 67 H ILE 26 H ILE 26 -4.930 -7.679 6.397 68 HA ILE 26 HA ILE 26 -5.291 -10.565 6.809 69 HB ILE 26 HB ILE 26 -6.423 -9.913 8.928 70 HG12 ILE 26 HG11 ILE 26 -5.292 -7.157 8.464 71 HG13 ILE 26 HG12 ILE 26 -6.957 -7.566 8.017 72 HG21 ILE 26 HG21 ILE 26 -4.344 -9.202 10.093 73 HG22 ILE 26 HG22 ILE 26 -4.119 -10.570 9.005 74 HG23 ILE 26 HG23 ILE 26 -3.596 -8.958 8.515 75 HD11 ILE 26 HD11 ILE 26 -6.510 -6.474 10.308 76 HD12 ILE 26 HD12 ILE 26 -7.628 -7.835 10.209 77 HD13 ILE 26 HD13 ILE 26 -5.983 -8.085 10.791 78 H ARG 27 H ARG 27 -7.681 -10.908 7.780 79 HA ARG 27 HA ARG 27 -9.433 -10.309 5.557 80 HB2 ARG 27 HB1 ARG 27 -9.546 -12.103 7.950 81 HB3 ARG 27 HB2 ARG 27 -11.051 -11.682 7.121 82 HG2 ARG 27 HG1 ARG 27 -10.592 -12.954 5.317 83 HG3 ARG 27 HG2 ARG 27 -8.860 -12.592 5.380 84 HD2 ARG 27 HD1 ARG 27 -8.716 -14.757 6.040 85 HD3 ARG 27 HD2 ARG 27 -9.083 -14.049 7.620 86 HE ARG 27 HE ARG 27 -11.068 -15.165 7.593 87 HH11 ARG 27 HH11 ARG 27 -9.921 -14.868 4.319 88 HH12 ARG 27 HH12 ARG 27 -11.195 -15.832 3.647 89 HH21 ARG 27 HH21 ARG 27 -12.749 -16.435 6.720 90 HH22 ARG 27 HH22 ARG 27 -12.803 -16.722 5.014 91 H SER 28 H SER 28 -9.421 -7.968 6.023 92 HA SER 28 HA SER 28 -10.544 -6.878 8.362 93 HB2 SER 28 HB1 SER 28 -10.640 -4.797 7.190 94 HB3 SER 28 HB2 SER 28 -9.197 -5.644 6.604 95 HG SER 28 HG SER 28 -11.705 -5.403 5.307 96 H SER 29 H SER 29 -12.615 -5.869 8.650 97 HA SER 29 HA SER 29 -14.766 -6.578 6.847 98 HB2 SER 29 HB1 SER 29 -14.249 -8.035 9.364 99 HB3 SER 29 HB2 SER 29 -15.914 -7.468 9.159 100 HG SER 29 HG SER 29 -15.962 -9.343 8.109 101 H ALA 30 H ALA 30 -16.576 -5.300 7.095 102 HA ALA 30 HA ALA 30 -16.923 -3.606 9.395 103 HB1 ALA 30 HB1 ALA 30 -16.925 -1.656 7.439 104 HB2 ALA 30 HB2 ALA 30 -15.683 -1.904 8.667 105 HB3 ALA 30 HB3 ALA 30 -15.497 -2.622 7.067 106 H ASP 31 H ASP 31 -17.767 -3.748 5.929 107 HA ASP 31 HA ASP 31 -19.769 -3.701 4.848 108 HB2 ASP 31 HB1 ASP 31 -19.938 -5.765 6.472 109 HB3 ASP 31 HB2 ASP 31 -21.141 -4.759 7.288 110 HD2 ASP 31 HD ASP 31 -22.145 -6.531 3.957 111 H LEU 32 H LEU 32 -19.374 -1.284 5.333 112 HA LEU 32 HA LEU 32 -21.642 -0.226 6.889 113 HB2 LEU 32 HB1 LEU 32 -18.846 0.683 6.499 114 HB3 LEU 32 HB2 LEU 32 -20.096 1.939 6.551 115 HG LEU 32 HG LEU 32 -19.003 1.549 8.734 116 HD11 LEU 32 HD11 LEU 32 -21.938 1.070 8.383 117 HD12 LEU 32 HD12 LEU 32 -21.102 2.524 8.928 118 HD13 LEU 32 HD13 LEU 32 -21.209 1.119 9.989 119 HD21 LEU 32 HD21 LEU 32 -19.074 -0.450 9.869 120 HD22 LEU 32 HD22 LEU 32 -18.873 -1.007 8.207 121 HD23 LEU 32 HD23 LEU 32 -20.467 -1.041 8.964 122 H HIS 33 H HIS 33 -22.908 1.422 6.004 123 HA HIS 33 HA HIS 33 -22.734 1.632 3.076 124 HB2 HIS 33 HB1 HIS 33 -25.017 1.624 5.012 125 HB3 HIS 33 HB2 HIS 33 -25.200 2.493 3.484 126 HD1 HIS 33 HD1 HIS 33 -25.552 1.134 1.374 127 HD2 HIS 33 HD2 HIS 33 -24.706 -1.208 4.699 128 HE1 HIS 33 HE1 HIS 33 -25.995 -1.235 0.657 129 HE2 HIS 33 HE2 HIS 33 -25.479 -2.668 2.689 130 H GLY 34 H GLY 34 -21.016 3.291 3.636 131 HA2 GLY 34 HA2 GLY 34 -22.160 5.899 3.313 132 HA3 GLY 34 HA3 GLY 34 -21.428 5.691 4.898 133 HA1 GLY 34 HA1 GLY 34 -21.729 5.297 2.830 134 H ALA 35 H ALA 35 -19.351 6.198 5.081 135 HA ALA 35 HA ALA 35 -17.208 6.758 4.554 136 HB1 ALA 35 HB1 ALA 35 -16.023 5.379 3.045 137 HB2 ALA 35 HB2 ALA 35 -17.260 4.354 3.776 138 HB3 ALA 35 HB3 ALA 35 -17.486 4.981 2.143 139 H ARG 36 H ARG 36 -19.088 8.592 3.767 140 HA ARG 36 HA ARG 36 -17.686 9.978 1.690 141 HB2 ARG 36 HB1 ARG 36 -19.227 8.373 0.460 142 HB3 ARG 36 HB2 ARG 36 -20.571 9.316 1.117 143 HG2 ARG 36 HG1 ARG 36 -18.902 11.234 0.012 144 HG3 ARG 36 HG2 ARG 36 -18.843 9.882 -1.132 145 HD2 ARG 36 HD1 ARG 36 -21.499 10.741 -0.060 146 HD3 ARG 36 HD2 ARG 36 -20.713 11.727 -1.300 147 HE ARG 36 HE ARG 36 -21.927 9.154 -1.657 148 HH11 ARG 36 HH11 ARG 36 -19.528 11.365 -2.875 149 HH12 ARG 36 HH12 ARG 36 -19.555 10.714 -4.481 150 HH21 ARG 36 HH21 ARG 36 -21.972 8.289 -3.768 151 HH22 ARG 36 HH22 ARG 36 -20.946 8.966 -4.987 152 H LYS 37 H LYS 37 -17.520 11.346 3.588 153 HA LYS 37 HA LYS 37 -19.441 13.443 3.557 154 HB2 LYS 37 HB1 LYS 37 -20.170 11.375 5.203 155 HB3 LYS 37 HB2 LYS 37 -19.297 12.441 6.314 156 HG2 LYS 37 HG1 LYS 37 -21.408 13.562 4.509 157 HG3 LYS 37 HG2 LYS 37 -21.849 12.732 6.012 158 HD2 LYS 37 HD1 LYS 37 -20.950 14.357 7.353 159 HD3 LYS 37 HD2 LYS 37 -19.731 14.813 6.150 160 HE2 LYS 37 HE1 LYS 37 -21.100 16.639 5.994 161 HE3 LYS 37 HE2 LYS 37 -21.863 15.587 4.793 162 HZ1 LYS 37 HZ1 LYS 37 -23.096 14.857 7.079 163 HZ2 LYS 37 HZ2 LYS 37 -23.712 15.963 5.958 164 HZ3 LYS 37 HZ3 LYS 37 -22.878 16.517 7.321 165 H GLY 38 H GLY 38 -16.973 11.919 5.632 166 HA2 GLY 38 HA2 GLY 38 -15.921 14.530 6.364 167 HA3 GLY 38 HA3 GLY 38 -15.369 12.975 6.967 168 HA1 GLY 38 HA1 GLY 38 -16.038 14.366 5.505 169 H SER 39 H SER 39 -13.706 11.922 5.952 170 HA SER 39 HA SER 39 -12.306 13.489 3.899 171 HB2 SER 39 HB1 SER 39 -11.084 13.029 6.017 172 HB3 SER 39 HB2 SER 39 -11.219 11.293 5.679 173 HG SER 39 HG SER 39 -9.287 11.818 4.843 174 H GLN 40 H GLN 40 -11.372 12.443 2.087 175 HA GLN 40 HA GLN 40 -13.004 10.622 0.773 176 HB2 GLN 40 HB1 GLN 40 -11.351 12.141 -0.307 177 HB3 GLN 40 HB2 GLN 40 -10.060 11.071 0.263 178 HG2 GLN 40 HG1 GLN 40 -10.260 10.098 -1.738 179 HG3 GLN 40 HG2 GLN 40 -11.664 9.302 -1.013 180 HE21 GLN 40 HE21 GLN 40 -11.023 10.149 -3.800 181 HE22 GLN 40 HE22 GLN 40 -12.383 11.090 -4.301 182 H CYS 41 H CYS 41 -10.004 10.061 2.574 183 HA CYS 41 HA CYS 41 -10.778 7.256 2.877 184 HB2 CYS 41 HB1 CYS 41 -8.506 6.480 2.374 185 HB3 CYS 41 HB2 CYS 41 -9.237 7.276 0.981 186 H LEU 42 H LEU 42 -10.221 6.361 4.816 187 HA LEU 42 HA LEU 42 -9.463 8.168 6.910 188 HB2 LEU 42 HB1 LEU 42 -10.821 5.704 6.704 189 HB3 LEU 42 HB2 LEU 42 -9.401 5.420 7.727 190 HG LEU 42 HG LEU 42 -10.543 7.776 8.706 191 HD11 LEU 42 HD11 LEU 42 -12.635 5.729 8.005 192 HD12 LEU 42 HD12 LEU 42 -12.590 7.432 7.546 193 HD13 LEU 42 HD13 LEU 42 -12.857 6.979 9.229 194 HD21 LEU 42 HD21 LEU 42 -10.891 6.493 10.688 195 HD22 LEU 42 HD22 LEU 42 -9.416 5.902 9.921 196 HD23 LEU 42 HD23 LEU 42 -10.915 4.984 9.776 197 H SER 43 H SER 43 -7.859 5.788 4.961 198 HA SER 43 HA SER 43 -5.312 6.544 6.138 199 HB2 SER 43 HB1 SER 43 -6.562 4.213 7.012 200 HB3 SER 43 HB2 SER 43 -5.404 3.651 5.794 201 HG SER 43 HG SER 43 -4.782 4.103 8.194 202 H ASP 44 H ASP 44 -3.503 5.244 4.914 203 HA ASP 44 HA ASP 44 -3.867 5.842 2.130 204 HB2 ASP 44 HB1 ASP 44 -1.504 5.081 1.911 205 HB3 ASP 44 HB2 ASP 44 -1.729 6.329 3.143 206 HD2 ASP 44 HD ASP 44 -0.739 2.686 4.358 207 H THR 45 H THR 45 -3.993 3.008 4.115 208 HA THR 45 HA THR 45 -3.769 1.172 1.886 209 HB THR 45 HB THR 45 -4.727 0.357 4.607 210 HG1 THR 45 HG1 THR 45 -2.711 0.505 5.422 211 HG21 THR 45 HG21 THR 45 -3.822 -0.944 2.220 212 HG22 THR 45 HG22 THR 45 -4.464 -1.660 3.699 213 HG23 THR 45 HG23 THR 45 -2.736 -1.339 3.553 214 H ASP 46 H ASP 46 -6.120 3.199 2.768 215 HA ASP 46 HA ASP 46 -8.351 1.337 2.481 216 HB2 ASP 46 HB1 ASP 46 -7.986 4.055 3.548 217 HB3 ASP 46 HB2 ASP 46 -9.471 3.838 2.613 218 HD2 ASP 46 HD ASP 46 -9.657 2.680 6.204 219 H CYS 47 H CYS 47 -6.330 2.497 0.364 220 HA CYS 47 HA CYS 47 -8.128 3.735 -1.529 221 HB2 CYS 47 HB1 CYS 47 -5.295 3.518 -1.180 222 HB3 CYS 47 HB2 CYS 47 -5.711 2.932 -2.792 223 H ASN 48 H ASN 48 -6.278 0.698 -1.365 224 HA ASN 48 HA ASN 48 -8.354 -0.821 -2.553 225 HB2 ASN 48 HB1 ASN 48 -7.604 0.368 -4.579 226 HB3 ASN 48 HB2 ASN 48 -5.965 -0.243 -4.319 227 HD21 ASN 48 HD21 ASN 48 -5.578 -2.499 -4.504 228 HD22 ASN 48 HD22 ASN 48 -6.610 -3.489 -5.474 229 H THR 49 H THR 49 -4.820 -1.004 -2.937 230 HA THR 49 HA THR 49 -4.554 -2.970 -0.855 231 HB THR 49 HB THR 49 -4.047 -3.875 -3.696 232 HG1 THR 49 HG1 THR 49 -5.951 -4.890 -3.604 233 HG21 THR 49 HG21 THR 49 -3.003 -5.662 -2.840 234 HG22 THR 49 HG22 THR 49 -4.237 -5.888 -1.601 235 HG23 THR 49 HG23 THR 49 -2.915 -4.753 -1.333 236 H ARG 50 H ARG 50 -2.825 -2.372 -3.916 237 HA ARG 50 HA ARG 50 -0.416 -1.787 -2.338 238 HB2 ARG 50 HB1 ARG 50 0.835 -2.262 -4.416 239 HB3 ARG 50 HB2 ARG 50 -0.149 -3.633 -3.885 240 HG2 ARG 50 HG1 ARG 50 -1.824 -2.223 -5.598 241 HG3 ARG 50 HG2 ARG 50 -0.229 -2.161 -6.367 242 HD2 ARG 50 HD1 ARG 50 -1.426 -4.725 -5.315 243 HD3 ARG 50 HD2 ARG 50 -1.702 -4.140 -6.962 244 HE ARG 50 HE ARG 50 0.668 -5.378 -5.960 245 HH11 ARG 50 HH11 ARG 50 -0.543 -3.087 -8.283 246 HH12 ARG 50 HH12 ARG 50 0.784 -3.297 -9.377 247 HH21 ARG 50 HH21 ARG 50 2.421 -5.663 -7.391 248 HH22 ARG 50 HH22 ARG 50 2.469 -4.763 -8.869 249 H LYS 51 H LYS 51 -2.238 0.254 -2.441 250 HA LYS 51 HA LYS 51 -0.741 2.258 -3.934 251 HB2 LYS 51 HB1 LYS 51 -3.223 1.264 -4.857 252 HB3 LYS 51 HB2 LYS 51 -3.532 2.879 -4.199 253 HG2 LYS 51 HG1 LYS 51 -1.678 3.752 -5.617 254 HG3 LYS 51 HG2 LYS 51 -1.569 2.145 -6.359 255 HD2 LYS 51 HD1 LYS 51 -4.202 3.584 -6.266 256 HD3 LYS 51 HD2 LYS 51 -3.001 3.993 -7.503 257 HE2 LYS 51 HE1 LYS 51 -4.088 2.359 -8.654 258 HE3 LYS 51 HE2 LYS 51 -2.954 1.338 -7.760 259 HZ1 LYS 51 HZ1 LYS 51 -5.276 1.828 -6.210 260 HZ2 LYS 51 HZ2 LYS 51 -4.628 0.352 -6.723 261 HZ3 LYS 51 HZ3 LYS 51 -5.706 1.193 -7.718 262 H PHE 52 H PHE 52 -1.106 4.425 -3.185 263 HA PHE 52 HA PHE 52 -2.218 4.506 -0.458 264 HB2 PHE 52 HB1 PHE 52 -0.603 6.167 0.120 265 HB3 PHE 52 HB2 PHE 52 0.264 4.858 -0.684 266 HD1 PHE 52 HD1 PHE 52 -0.397 8.353 -0.675 267 HD2 PHE 52 HD2 PHE 52 0.791 5.116 -3.170 268 HE1 PHE 52 HE1 PHE 52 0.557 9.949 -2.286 269 HE2 PHE 52 HE2 PHE 52 1.746 6.706 -4.785 270 HZ PHE 52 HZ PHE 52 1.631 9.126 -4.344 271 H CYS 53 H CYS 53 -2.614 6.988 0.128 272 HA CYS 53 HA CYS 53 -4.565 7.908 -1.847 273 HB2 CYS 53 HB1 CYS 53 -4.381 7.919 1.053 274 HB3 CYS 53 HB2 CYS 53 -4.762 9.524 0.426 275 H LEU 54 H LEU 54 -3.321 8.992 -3.346 276 HA LEU 54 HA LEU 54 -1.389 10.969 -2.550 277 HB2 LEU 54 HB1 LEU 54 -1.086 9.645 -4.584 278 HB3 LEU 54 HB2 LEU 54 -2.571 10.344 -5.252 279 HG LEU 54 HG LEU 54 -1.107 12.584 -4.743 280 HD11 LEU 54 HD11 LEU 54 1.149 12.201 -5.543 281 HD12 LEU 54 HD12 LEU 54 0.831 10.472 -5.679 282 HD13 LEU 54 HD13 LEU 54 0.845 11.244 -4.093 283 HD21 LEU 54 HD21 LEU 54 -2.317 11.531 -6.857 284 HD22 LEU 54 HD22 LEU 54 -0.649 11.226 -7.340 285 HD23 LEU 54 HD23 LEU 54 -1.181 12.872 -6.998 286 H GLN 55 H GLN 55 -1.869 12.962 -1.934 287 HA GLN 55 HA GLN 55 -4.314 14.213 -3.000 288 HB2 GLN 55 HB1 GLN 55 -4.279 15.556 -0.829 289 HB3 GLN 55 HB2 GLN 55 -4.757 13.854 -0.715 290 HG2 GLN 55 HG1 GLN 55 -2.793 13.219 0.328 291 HG3 GLN 55 HG2 GLN 55 -1.913 14.636 -0.261 292 HE21 GLN 55 HE21 GLN 55 -1.339 15.852 1.383 293 HE22 GLN 55 HE22 GLN 55 -2.326 16.268 2.739 294 HA PRO 56 HA PRO 56 -0.834 16.811 -4.456 295 HB2 PRO 56 HB1 PRO 56 -2.097 17.581 -6.763 296 HB3 PRO 56 HB2 PRO 56 -1.207 16.068 -6.599 297 HG2 PRO 56 HG1 PRO 56 -4.153 16.576 -6.363 298 HG3 PRO 56 HG2 PRO 56 -3.290 15.261 -7.243 299 HD2 PRO 56 HD1 PRO 56 -4.452 14.881 -4.819 300 HD3 PRO 56 HD2 PRO 56 -2.972 14.042 -5.314 301 H ARG 57 H ARG 57 -0.637 19.062 -4.558 302 HA ARG 57 HA ARG 57 -2.712 20.513 -3.166 303 HB2 ARG 57 HB1 ARG 57 -0.165 20.719 -2.820 304 HB3 ARG 57 HB2 ARG 57 -0.191 21.717 -4.282 305 HG2 ARG 57 HG1 ARG 57 -1.066 23.488 -3.224 306 HG3 ARG 57 HG2 ARG 57 -2.180 22.485 -2.278 307 HD2 ARG 57 HD1 ARG 57 -0.720 23.441 -0.692 308 HD3 ARG 57 HD2 ARG 57 -0.158 21.779 -0.913 309 HE ARG 57 HE ARG 57 1.312 23.241 -2.694 310 HH11 ARG 57 HH11 ARG 57 0.760 23.351 0.741 311 HH12 ARG 57 HH12 ARG 57 2.323 24.006 1.103 312 HH21 ARG 57 HH21 ARG 57 3.372 24.105 -2.230 313 HH22 ARG 57 HH22 ARG 57 3.807 24.436 -0.588 314 H ASP 58 H ASP 58 -1.562 20.160 -6.414 315 HA ASP 58 HA ASP 58 -2.991 22.518 -7.348 316 HB2 ASP 58 HB1 ASP 58 -0.958 20.676 -8.452 317 HB3 ASP 58 HB2 ASP 58 -2.145 21.273 -9.616 318 HD2 ASP 58 HD ASP 58 0.432 23.857 -8.079 319 H GLU 59 H GLU 59 -3.436 19.112 -7.058 320 HA GLU 59 HA GLU 59 -5.942 19.325 -8.594 321 HB2 GLU 59 HB1 GLU 59 -3.765 17.611 -9.068 322 HB3 GLU 59 HB2 GLU 59 -5.023 16.602 -8.340 323 HG2 GLU 59 HG1 GLU 59 -6.388 18.135 -10.210 324 HG3 GLU 59 HG2 GLU 59 -4.861 17.720 -11.000 325 HE2 GLU 59 HE GLU 59 -7.526 15.022 -11.066 326 H LYS 60 H LYS 60 -7.314 17.198 -7.943 327 HA LYS 60 HA LYS 60 -7.836 17.558 -5.106 328 HB2 LYS 60 HB1 LYS 60 -9.341 16.586 -7.460 329 HB3 LYS 60 HB2 LYS 60 -9.719 15.783 -5.928 330 HG2 LYS 60 HG1 LYS 60 -10.545 17.709 -4.950 331 HG3 LYS 60 HG2 LYS 60 -9.667 18.765 -6.071 332 HD2 LYS 60 HD1 LYS 60 -11.820 18.948 -6.880 333 HD3 LYS 60 HD2 LYS 60 -11.176 17.632 -7.879 334 HE2 LYS 60 HE1 LYS 60 -12.368 16.744 -5.338 335 HE3 LYS 60 HE2 LYS 60 -13.501 17.525 -6.451 336 HZ1 LYS 60 HZ1 LYS 60 -13.417 15.813 -7.867 337 HZ2 LYS 60 HZ2 LYS 60 -12.807 14.936 -6.557 338 HZ3 LYS 60 HZ3 LYS 60 -11.748 15.598 -7.698 339 HA PRO 61 HA PRO 61 -6.148 13.772 -3.666 340 HB2 PRO 61 HB1 PRO 61 -8.012 12.948 -1.837 341 HB3 PRO 61 HB2 PRO 61 -6.936 14.321 -1.579 342 HG2 PRO 61 HG1 PRO 61 -9.778 14.285 -2.541 343 HG3 PRO 61 HG2 PRO 61 -9.004 15.352 -1.310 344 HD2 PRO 61 HD1 PRO 61 -9.493 16.163 -3.855 345 HD3 PRO 61 HD2 PRO 61 -8.088 16.716 -2.927 346 H PHE 62 H PHE 62 -6.062 11.694 -4.302 347 HA PHE 62 HA PHE 62 -8.336 10.057 -4.741 348 HB2 PHE 62 HB1 PHE 62 -8.352 9.843 -7.110 349 HB3 PHE 62 HB2 PHE 62 -8.403 11.573 -6.764 350 HD1 PHE 62 HD1 PHE 62 -6.937 9.200 -8.804 351 HD2 PHE 62 HD2 PHE 62 -5.956 12.668 -6.539 352 HE1 PHE 62 HE1 PHE 62 -4.957 9.562 -10.221 353 HE2 PHE 62 HE2 PHE 62 -3.976 13.036 -7.953 354 HZ PHE 62 HZ PHE 62 -3.476 11.483 -9.797 355 H CYS 63 H CYS 63 -7.645 7.976 -5.950 356 HA CYS 63 HA CYS 63 -5.251 7.034 -4.658 357 HB2 CYS 63 HB1 CYS 63 -7.301 5.703 -6.438 358 HB3 CYS 63 HB2 CYS 63 -5.894 4.853 -5.797 359 H ALA 64 H ALA 64 -3.288 6.814 -5.518 360 HA ALA 64 HA ALA 64 -2.960 6.635 -8.409 361 HB1 ALA 64 HB1 ALA 64 -1.983 8.908 -6.734 362 HB2 ALA 64 HB2 ALA 64 -1.070 8.399 -8.155 363 HB3 ALA 64 HB3 ALA 64 -2.743 8.932 -8.327 364 H THR 65 H THR 65 -1.343 5.303 -8.971 365 HA THR 65 HA THR 65 -0.105 3.614 -7.165 366 HB THR 65 HB THR 65 1.529 4.069 -9.546 367 HG1 THR 65 HG1 THR 65 -0.022 4.195 -10.972 368 HG21 THR 65 HG21 THR 65 1.035 1.666 -9.880 369 HG22 THR 65 HG22 THR 65 -0.082 1.730 -8.515 370 HG23 THR 65 HG23 THR 65 1.639 2.017 -8.261 371 H CYS 66 H CYS 66 2.249 3.364 -6.760 372 HA CYS 66 HA CYS 66 3.300 5.776 -5.633 373 HB2 CYS 66 HB1 CYS 66 5.167 4.374 -4.887 374 HB3 CYS 66 HB2 CYS 66 3.615 3.626 -4.512 375 H ARG 67 H ARG 67 5.390 6.687 -6.091 376 HA ARG 67 HA ARG 67 5.835 7.036 -8.887 377 HB2 ARG 67 HB1 ARG 67 7.696 7.912 -6.680 378 HB3 ARG 67 HB2 ARG 67 7.470 8.644 -8.274 379 HG2 ARG 67 HG1 ARG 67 5.442 8.631 -6.036 380 HG3 ARG 67 HG2 ARG 67 6.455 10.000 -6.528 381 HD2 ARG 67 HD1 ARG 67 5.092 8.957 -8.830 382 HD3 ARG 67 HD2 ARG 67 3.926 9.257 -7.533 383 HE ARG 67 HE ARG 67 5.399 11.225 -9.024 384 HH11 ARG 67 HH11 ARG 67 3.720 10.550 -6.050 385 HH12 ARG 67 HH12 ARG 67 3.371 12.214 -5.717 386 HH21 ARG 67 HH21 ARG 67 4.946 13.419 -8.597 387 HH22 ARG 67 HH22 ARG 67 4.068 13.845 -7.168 388 H GLY 68 H GLY 68 7.755 6.575 -10.067 389 HA2 GLY 68 HA2 GLY 68 8.722 3.968 -9.776 390 HA3 GLY 68 HA3 GLY 68 9.453 5.208 -10.784 391 HA1 GLY 68 HA1 GLY 68 8.650 4.378 -8.999 392 H LEU 69 H LEU 69 11.174 3.506 -9.748 393 HA LEU 69 HA LEU 69 12.119 4.016 -7.152 394 HB2 LEU 69 HB1 LEU 69 13.118 2.676 -9.586 395 HB3 LEU 69 HB2 LEU 69 14.363 3.258 -8.465 396 HG LEU 69 HG LEU 69 12.139 1.335 -7.785 397 HD11 LEU 69 HD11 LEU 69 14.955 0.524 -7.578 398 HD12 LEU 69 HD12 LEU 69 14.362 0.775 -9.220 399 HD13 LEU 69 HD13 LEU 69 13.550 -0.373 -8.154 400 HD21 LEU 69 HD21 LEU 69 14.379 2.503 -6.147 401 HD22 LEU 69 HD22 LEU 69 13.484 1.058 -5.679 402 HD23 LEU 69 HD23 LEU 69 12.645 2.601 -5.840 403 H ARG 70 H ARG 70 13.407 5.171 -10.275 404 HA ARG 70 HA ARG 70 15.256 6.969 -9.126 405 HB2 ARG 70 HB1 ARG 70 13.994 6.976 -11.879 406 HB3 ARG 70 HB2 ARG 70 15.400 7.936 -11.400 407 HG2 ARG 70 HG1 ARG 70 16.668 6.257 -12.110 408 HG3 ARG 70 HG2 ARG 70 16.096 5.352 -10.696 409 HD2 ARG 70 HD1 ARG 70 14.401 4.266 -11.926 410 HD3 ARG 70 HD2 ARG 70 14.547 5.409 -13.268 411 HE ARG 70 HE ARG 70 16.997 4.197 -13.112 412 HH11 ARG 70 HH11 ARG 70 13.710 3.126 -13.517 413 HH12 ARG 70 HH12 ARG 70 14.140 1.734 -14.455 414 HH21 ARG 70 HH21 ARG 70 17.577 2.367 -14.344 415 HH22 ARG 70 HH22 ARG 70 16.341 1.303 -14.924 416 H ARG 71 H ARG 71 11.870 7.180 -9.752 417 HA ARG 71 HA ARG 71 11.443 9.889 -10.052 418 HB2 ARG 71 HB1 ARG 71 9.885 7.596 -9.429 419 HB3 ARG 71 HB2 ARG 71 9.457 8.863 -8.269 420 HG2 ARG 71 HG1 ARG 71 7.994 8.912 -10.224 421 HG3 ARG 71 HG2 ARG 71 8.955 10.395 -10.086 422 HD2 ARG 71 HD1 ARG 71 10.261 9.903 -11.917 423 HD3 ARG 71 HD2 ARG 71 10.027 8.159 -11.732 424 HE ARG 71 HE ARG 71 8.147 8.296 -13.037 425 HH11 ARG 71 HH11 ARG 71 9.095 11.493 -12.036 426 HH12 ARG 71 HH12 ARG 71 7.968 12.295 -13.079 427 HH21 ARG 71 HH21 ARG 71 6.660 9.341 -14.414 428 HH22 ARG 71 HH22 ARG 71 6.582 11.070 -14.431 429 H ARG 72 H ARG 72 11.096 11.613 -8.648 430 HA ARG 72 HA ARG 72 12.694 11.595 -6.279 431 HB2 ARG 72 HB1 ARG 72 10.911 13.648 -7.581 432 HB3 ARG 72 HB2 ARG 72 11.708 13.950 -6.030 433 HG2 ARG 72 HG1 ARG 72 13.763 13.031 -7.643 434 HG3 ARG 72 HG2 ARG 72 12.789 14.051 -8.713 435 HD2 ARG 72 HD1 ARG 72 13.637 14.965 -5.969 436 HD3 ARG 72 HD2 ARG 72 14.653 15.189 -7.398 437 HE ARG 72 HE ARG 72 12.325 16.689 -6.702 438 HH11 ARG 72 HH11 ARG 72 14.226 15.523 -9.376 439 HH12 ARG 72 HH12 ARG 72 13.724 16.786 -10.451 440 HH21 ARG 72 HH21 ARG 72 11.658 18.356 -8.108 441 HH22 ARG 72 HH22 ARG 72 12.264 18.397 -9.729 442 H CYS 73 H CYS 73 11.922 12.264 -4.149 443 HA CYS 73 HA CYS 73 9.116 11.895 -3.550 444 HB2 CYS 73 HB1 CYS 73 9.476 10.082 -1.936 445 HB3 CYS 73 HB2 CYS 73 9.896 9.580 -3.576 446 H GLN 74 H GLN 74 8.621 12.350 -1.280 447 HA GLN 74 HA GLN 74 10.650 14.114 -0.075 448 HB2 GLN 74 HB1 GLN 74 7.879 14.546 -0.746 449 HB3 GLN 74 HB2 GLN 74 8.125 14.748 0.996 450 HG2 GLN 74 HG1 GLN 74 8.950 16.769 0.669 451 HG3 GLN 74 HG2 GLN 74 10.244 16.079 -0.321 452 HE21 GLN 74 HE21 GLN 74 8.107 18.423 -0.369 453 HE22 GLN 74 HE22 GLN 74 7.696 18.482 -2.045 454 H ARG 75 H ARG 75 8.502 11.449 0.412 455 HA ARG 75 HA ARG 75 9.525 11.173 3.154 456 HB2 ARG 75 HB1 ARG 75 6.922 11.858 2.592 457 HB3 ARG 75 HB2 ARG 75 6.829 10.097 2.752 458 HG2 ARG 75 HG1 ARG 75 7.573 10.129 4.973 459 HG3 ARG 75 HG2 ARG 75 8.176 11.789 4.828 460 HD2 ARG 75 HD1 ARG 75 5.966 12.688 4.759 461 HD3 ARG 75 HD2 ARG 75 5.263 11.074 4.575 462 HE ARG 75 HE ARG 75 5.379 10.800 6.843 463 HH11 ARG 75 HH11 ARG 75 7.429 13.456 5.911 464 HH12 ARG 75 HH12 ARG 75 7.764 13.939 7.541 465 HH21 ARG 75 HH21 ARG 75 5.812 11.426 8.992 466 HH22 ARG 75 HH22 ARG 75 6.845 12.783 9.293 467 H ASP 76 H ASP 76 9.485 8.965 3.966 468 HA ASP 76 HA ASP 76 10.269 7.097 1.917 469 HB2 ASP 76 HB1 ASP 76 9.947 6.396 4.826 470 HB3 ASP 76 HB2 ASP 76 11.098 5.751 3.648 471 HD2 ASP 76 HD ASP 76 12.001 9.122 5.507 472 H ALA 77 H ALA 77 7.439 7.758 3.773 473 HA ALA 77 HA ALA 77 6.243 5.165 3.465 474 HB1 ALA 77 HB1 ALA 77 4.667 7.636 4.050 475 HB2 ALA 77 HB2 ALA 77 4.442 5.993 4.652 476 HB3 ALA 77 HB3 ALA 77 5.771 6.980 5.260 477 H MET 78 H MET 78 5.855 8.330 1.903 478 HA MET 78 HA MET 78 3.767 7.622 0.172 479 HB2 MET 78 HB1 MET 78 4.357 9.590 -1.114 480 HB3 MET 78 HB2 MET 78 4.473 9.948 0.616 481 HG2 MET 78 HG1 MET 78 6.570 10.612 0.383 482 HG3 MET 78 HG2 MET 78 7.009 9.033 -0.275 483 HE1 MET 78 HE1 MET 78 4.985 9.167 -2.955 484 HE2 MET 78 HE2 MET 78 6.257 9.564 -4.109 485 HE3 MET 78 HE3 MET 78 6.561 8.387 -2.831 486 H CYS 79 H CYS 79 7.125 6.868 0.112 487 HA CYS 79 HA CYS 79 7.417 6.396 -2.668 488 HB2 CYS 79 HB1 CYS 79 9.013 6.142 -0.288 489 HB3 CYS 79 HB2 CYS 79 9.160 4.673 -1.252 490 H CYS 80 H CYS 80 7.867 4.207 -3.591 491 HA CYS 80 HA CYS 80 5.639 2.583 -3.517 492 HB2 CYS 80 HB1 CYS 80 8.467 2.164 -4.420 493 HB3 CYS 80 HB2 CYS 80 7.353 0.796 -4.416 494 HA PRO 81 HA PRO 81 5.898 -0.015 0.008 495 HB2 PRO 81 HB1 PRO 81 5.023 -2.419 -0.971 496 HB3 PRO 81 HB2 PRO 81 3.968 -1.029 -0.718 497 HG2 PRO 81 HG1 PRO 81 5.298 -1.973 -3.234 498 HG3 PRO 81 HG2 PRO 81 3.599 -1.428 -2.978 499 HD2 PRO 81 HD1 PRO 81 5.500 0.166 -4.084 500 HD3 PRO 81 HD2 PRO 81 4.197 0.797 -3.061 501 H GLY 82 H GLY 82 7.769 -0.624 0.897 502 HA2 GLY 82 HA2 GLY 82 9.419 -2.268 1.325 503 HA3 GLY 82 HA3 GLY 82 9.251 -2.832 -0.331 504 HA1 GLY 82 HA1 GLY 82 9.361 -1.392 1.230 505 H THR 83 H THR 83 9.460 0.555 0.030 506 HA THR 83 HA THR 83 12.344 0.504 -0.557 507 HB THR 83 HB THR 83 12.042 2.301 -2.205 508 HG1 THR 83 HG1 THR 83 9.856 2.731 -2.905 509 HG21 THR 83 HG21 THR 83 11.744 0.819 -3.869 510 HG22 THR 83 HG22 THR 83 10.138 0.364 -3.300 511 HG23 THR 83 HG23 THR 83 11.569 -0.370 -2.579 512 H LEU 84 H LEU 84 13.260 2.817 -0.436 513 HA LEU 84 HA LEU 84 11.982 4.297 1.762 514 HB2 LEU 84 HB1 LEU 84 14.813 3.341 1.504 515 HB3 LEU 84 HB2 LEU 84 14.438 4.800 2.437 516 HG LEU 84 HG LEU 84 12.955 2.295 3.071 517 HD11 LEU 84 HD11 LEU 84 15.762 2.856 4.015 518 HD12 LEU 84 HD12 LEU 84 15.300 1.588 2.880 519 HD13 LEU 84 HD13 LEU 84 14.719 1.536 4.544 520 HD21 LEU 84 HD21 LEU 84 13.725 4.836 4.399 521 HD22 LEU 84 HD22 LEU 84 13.560 3.399 5.408 522 HD23 LEU 84 HD23 LEU 84 12.198 3.954 4.434 523 H CYS 85 H CYS 85 12.748 6.549 1.955 524 HA CYS 85 HA CYS 85 13.212 7.680 -0.714 525 HB2 CYS 85 HB1 CYS 85 11.182 8.336 0.667 526 HB3 CYS 85 HB2 CYS 85 12.301 9.161 1.755 527 H VAL 86 H VAL 86 15.302 8.018 -1.108 528 HA VAL 86 HA VAL 86 16.895 9.379 0.963 529 HB VAL 86 HB VAL 86 17.999 7.350 -0.981 530 HG11 VAL 86 HG11 VAL 86 19.160 9.208 0.968 531 HG12 VAL 86 HG12 VAL 86 19.759 7.552 1.085 532 HG13 VAL 86 HG13 VAL 86 19.889 8.433 -0.438 533 HG21 VAL 86 HG21 VAL 86 16.495 6.266 0.615 534 HG22 VAL 86 HG22 VAL 86 18.175 5.826 0.919 535 HG23 VAL 86 HG23 VAL 86 17.373 7.009 1.952 536 H ASN 87 H ASN 87 18.100 11.089 0.309 537 HA ASN 87 HA ASN 87 18.740 12.848 -0.987 538 HB2 ASN 87 HB1 ASN 87 20.041 10.767 -1.942 539 HB3 ASN 87 HB2 ASN 87 18.998 11.021 -3.346 540 HD21 ASN 87 HD21 ASN 87 19.598 12.457 -4.813 541 HD22 ASN 87 HD22 ASN 87 20.839 13.642 -4.612 542 H ASP 88 H ASP 88 15.962 12.427 -0.820 543 HA ASP 88 HA ASP 88 14.003 13.121 -1.744 544 HB2 ASP 88 HB1 ASP 88 15.932 14.969 -2.497 545 HB3 ASP 88 HB2 ASP 88 15.123 14.569 -4.018 546 HD2 ASP 88 HD ASP 88 12.230 16.197 -3.094 547 H VAL 89 H VAL 89 15.379 10.686 -2.750 548 HA VAL 89 HA VAL 89 13.721 10.327 -5.127 549 HB VAL 89 HB VAL 89 16.660 9.626 -5.074 550 HG11 VAL 89 HG11 VAL 89 15.985 7.970 -6.435 551 HG12 VAL 89 HG12 VAL 89 14.416 8.719 -6.735 552 HG13 VAL 89 HG13 VAL 89 15.835 9.254 -7.634 553 HG21 VAL 89 HG21 VAL 89 16.193 12.020 -5.442 554 HG22 VAL 89 HG22 VAL 89 16.898 11.245 -6.861 555 HG23 VAL 89 HG23 VAL 89 15.169 11.591 -6.812 556 H CYS 90 H CYS 90 12.901 8.291 -5.352 557 HA CYS 90 HA CYS 90 12.811 6.619 -3.093 558 HB2 CYS 90 HB1 CYS 90 11.402 6.851 -5.466 559 HB3 CYS 90 HB2 CYS 90 12.182 5.274 -5.612 560 H THR 91 H THR 91 13.713 4.606 -2.673 561 HA THR 91 HA THR 91 15.701 3.515 -4.486 562 HB THR 91 HB THR 91 16.999 5.162 -3.196 563 HG1 THR 91 HG1 THR 91 18.581 3.755 -3.180 564 HG21 THR 91 HG21 THR 91 15.785 5.315 -1.152 565 HG22 THR 91 HG22 THR 91 17.376 4.665 -0.753 566 HG23 THR 91 HG23 THR 91 15.980 3.591 -0.835 567 H THR 92 H THR 92 16.109 1.350 -4.158 568 HA THR 92 HA THR 92 14.141 -0.185 -2.898 569 HB THR 92 HB THR 92 15.822 -2.093 -3.159 570 HG1 THR 92 HG1 THR 92 17.569 -1.404 -4.670 571 HG21 THR 92 HG21 THR 92 15.015 -0.386 -5.511 572 HG22 THR 92 HG22 THR 92 14.141 -1.757 -4.828 573 HG23 THR 92 HG23 THR 92 15.673 -2.014 -5.662 574 H MET 93 H MET 93 14.450 -1.771 -1.151 575 HA MET 93 HA MET 93 15.368 -0.519 1.215 576 HB2 MET 93 HB1 MET 93 13.563 -2.410 0.785 577 HB3 MET 93 HB2 MET 93 14.941 -3.471 1.118 578 HG2 MET 93 HG1 MET 93 15.263 -2.047 3.246 579 HG3 MET 93 HG2 MET 93 13.614 -1.500 2.933 580 HE1 MET 93 HE1 MET 93 13.946 -3.371 5.894 581 HE2 MET 93 HE2 MET 93 13.057 -2.073 5.096 582 HE3 MET 93 HE3 MET 93 12.248 -3.596 5.471 583 H GLU 94 H GLU 94 16.856 -2.653 -1.073 584 HA GLU 94 HA GLU 94 18.964 -3.551 0.638 585 HB2 GLU 94 HB1 GLU 94 18.504 -3.615 -2.338 586 HB3 GLU 94 HB2 GLU 94 20.032 -4.158 -1.627 587 HG2 GLU 94 HG1 GLU 94 19.109 -6.163 -1.420 588 HG3 GLU 94 HG2 GLU 94 18.117 -5.467 -0.130 589 HE2 GLU 94 HE GLU 94 15.475 -4.997 -2.563 590 H ASP 95 H ASP 95 18.515 -0.881 -1.590 591 HA ASP 95 HA ASP 95 21.250 -0.066 -1.623 592 HB2 ASP 95 HB1 ASP 95 18.716 0.844 -2.760 593 HB3 ASP 95 HB2 ASP 95 19.749 2.184 -2.244 594 HD2 ASP 95 HD ASP 95 22.266 1.132 -4.554 595 H ALA 96 H ALA 96 18.358 1.138 0.065 596 HA ALA 96 HA ALA 96 19.875 3.041 1.597 597 HB1 ALA 96 HB1 ALA 96 17.799 3.626 2.631 598 HB2 ALA 96 HB2 ALA 96 17.505 3.394 0.906 599 HB3 ALA 96 HB3 ALA 96 17.038 2.141 2.058 600 H THR 97 H THR 97 20.756 2.791 3.558 601 HA THR 97 HA THR 97 19.981 0.492 5.201 602 HB THR 97 HB THR 97 22.508 0.244 5.732 603 HG1 THR 97 HG1 THR 97 22.769 1.186 3.071 604 HG21 THR 97 HG21 THR 97 21.530 -0.682 3.031 605 HG22 THR 97 HG22 THR 97 21.059 -1.423 4.561 606 HG23 THR 97 HG23 THR 97 22.746 -1.452 4.048 607 H GLU 98 H GLU 98 22.607 2.889 5.368 608 HA GLU 98 HA GLU 98 21.375 4.558 7.272 609 HB2 GLU 98 HB1 GLU 98 21.786 2.348 8.559 610 HB3 GLU 98 HB2 GLU 98 23.487 2.837 8.539 611 HG2 GLU 98 HG1 GLU 98 22.091 5.102 9.396 612 HG3 GLU 98 HG2 GLU 98 21.344 3.734 10.234 613 HE2 GLU 98 HE GLU 98 24.008 3.444 12.358 614 H ASN 99 H ASN 99 22.521 5.519 5.235 615 HA ASN 99 HA ASN 99 24.139 6.884 4.403 616 HB2 ASN 99 HB1 ASN 99 23.809 7.595 7.006 617 HB3 ASN 99 HB2 ASN 99 25.535 7.213 6.986 618 HD21 ASN 99 HD21 ASN 99 23.190 8.889 4.912 619 HD22 ASN 99 HD22 ASN 99 24.197 10.256 4.594 620 H LEU 100 H LEU 100 24.648 4.074 4.385 621 HA LEU 100 HA LEU 100 27.257 3.421 5.213 622 HB2 LEU 100 HB1 LEU 100 25.121 2.190 3.759 623 HB3 LEU 100 HB2 LEU 100 26.639 1.951 2.877 624 HG LEU 100 HG LEU 100 26.161 0.067 4.346 625 HD11 LEU 100 HD11 LEU 100 28.296 0.031 5.576 626 HD12 LEU 100 HD12 LEU 100 28.498 1.750 5.236 627 HD13 LEU 100 HD13 LEU 100 28.478 0.586 3.912 628 HD21 LEU 100 HD21 LEU 100 25.971 0.246 6.689 629 HD22 LEU 100 HD22 LEU 100 24.907 1.488 6.029 630 HD23 LEU 100 HD23 LEU 100 26.485 1.933 6.681 631 H TYR 101 H TYR 101 29.104 2.956 3.788 632 HA TYR 101 HA TYR 101 29.247 4.426 1.294 633 HB2 TYR 101 HB1 TYR 101 30.617 5.297 3.806 634 HB3 TYR 101 HB2 TYR 101 31.476 5.478 2.276 635 HD1 TYR 101 HD1 TYR 101 29.384 7.129 4.503 636 HD2 TYR 101 HD2 TYR 101 29.957 6.549 0.327 637 HE1 TYR 101 HE1 TYR 101 28.177 9.225 4.053 638 HE2 TYR 101 HE2 TYR 101 28.753 8.642 -0.135 639 HH TYR 101 HH TYR 101 27.801 10.452 0.745 640 H PHE 102 H PHE 102 31.184 3.970 0.083 641 HA PHE 102 HA PHE 102 32.543 1.514 0.978 642 HB2 PHE 102 HB1 PHE 102 32.639 0.752 -1.302 643 HB3 PHE 102 HB2 PHE 102 30.966 1.171 -0.926 644 HD1 PHE 102 HD1 PHE 102 33.794 1.865 -3.041 645 HD2 PHE 102 HD2 PHE 102 30.008 3.323 -1.752 646 HE1 PHE 102 HE1 PHE 102 33.716 3.371 -4.985 647 HE2 PHE 102 HE2 PHE 102 29.924 4.831 -3.694 648 HZ PHE 102 HZ PHE 102 31.778 4.855 -5.314 649 H GLN 103 H GLN 103 34.740 1.259 0.418 650 HA GLN 103 HA GLN 103 36.092 3.715 -0.477 651 HB2 GLN 103 HB1 GLN 103 36.562 2.050 1.952 652 HB3 GLN 103 HB2 GLN 103 37.970 2.754 1.141 653 HG2 GLN 103 HG1 GLN 103 35.920 4.746 1.441 654 HG3 GLN 103 HG2 GLN 103 36.270 3.979 2.996 655 HE21 GLN 103 HE21 GLN 103 37.851 4.840 4.123 656 HE22 GLN 103 HE22 GLN 103 39.167 5.765 3.494 657 H SER 104 H SER 104 37.675 3.463 -1.956 658 HA SER 104 HA SER 104 38.051 0.798 -3.055 659 HB2 SER 104 HB1 SER 104 38.417 3.583 -4.014 660 HB3 SER 104 HB2 SER 104 39.553 2.384 -4.656 661 HG SER 104 HG SER 104 37.985 1.439 -5.729 662 H LEU 105 H LEU 105 39.503 -0.383 -1.959 663 HA LEU 105 HA LEU 105 42.102 0.857 -1.338 664 HB2 LEU 105 HB1 LEU 105 40.717 -1.486 -0.022 665 HB3 LEU 105 HB2 LEU 105 42.351 -0.919 0.366 666 HG LEU 105 HG LEU 105 40.515 1.266 0.608 667 HD11 LEU 105 HD11 LEU 105 39.037 0.494 2.298 668 HD12 LEU 105 HD12 LEU 105 39.811 -1.090 2.344 669 HD13 LEU 105 HD13 LEU 105 38.876 -0.607 0.929 670 HD21 LEU 105 HD21 LEU 105 41.463 1.434 2.792 671 HD22 LEU 105 HD22 LEU 105 42.749 0.956 1.683 672 HD23 LEU 105 HD23 LEU 105 42.008 -0.243 2.746 673 H GLU 106 H GLU 106 43.838 -1.006 -1.111 674 HA GLU 106 HA GLU 106 43.537 -2.986 -3.237 675 HB2 GLU 106 HB1 GLU 106 44.684 -0.661 -3.907 676 HB3 GLU 106 HB2 GLU 106 46.099 -1.482 -3.231 677 HG2 GLU 106 HG1 GLU 106 46.384 -2.339 -5.264 678 HG3 GLU 106 HG2 GLU 106 45.038 -3.410 -4.849 679 HE2 GLU 106 HE GLU 106 42.819 -1.581 -6.870 680 H HIS 107 H HIS 107 45.163 -4.663 -3.178 681 HA HIS 107 HA HIS 107 46.455 -4.902 -0.540 682 HB2 HIS 107 HB1 HIS 107 46.155 -7.388 -0.825 683 HB3 HIS 107 HB2 HIS 107 44.661 -6.476 -0.591 684 HD1 HIS 107 HD1 HIS 107 42.846 -7.149 -2.114 685 HD2 HIS 107 HD2 HIS 107 46.585 -7.745 -3.825 686 HE1 HIS 107 HE1 HIS 107 42.399 -8.170 -4.368 687 HE2 HIS 107 HE2 HIS 107 44.683 -8.533 -5.416 688 H HIS 108 H HIS 108 48.431 -6.111 -0.459 689 HA HIS 108 HA HIS 108 49.980 -5.831 -2.924 690 HB2 HIS 108 HB1 HIS 108 50.658 -5.978 -0.008 691 HB3 HIS 108 HB2 HIS 108 51.887 -6.414 -1.201 692 HD1 HIS 108 HD1 HIS 108 51.408 -3.722 0.763 693 HD2 HIS 108 HD2 HIS 108 51.490 -4.049 -3.378 694 HE1 HIS 108 HE1 HIS 108 51.971 -1.421 -0.082 695 HE2 HIS 108 HE2 HIS 108 52.021 -1.620 -2.613 696 H HIS 109 H HIS 109 49.032 -7.715 -3.919 697 HA HIS 109 HA HIS 109 50.585 -10.075 -3.438 698 HB2 HIS 109 HB1 HIS 109 48.576 -10.110 -1.791 699 HB3 HIS 109 HB2 HIS 109 47.614 -10.479 -3.225 700 HD1 HIS 109 HD1 HIS 109 50.603 -11.894 -1.360 701 HD2 HIS 109 HD2 HIS 109 47.555 -13.109 -3.908 702 HE1 HIS 109 HE1 HIS 109 50.797 -14.398 -1.492 703 HE2 HIS 109 HE2 HIS 109 48.933 -15.142 -3.050 704 H HIS 110 H HIS 110 50.724 -8.681 -5.642 705 HA HIS 110 HA HIS 110 49.136 -10.201 -7.603 706 HB2 HIS 110 HB1 HIS 110 49.020 -7.451 -7.187 707 HB3 HIS 110 HB2 HIS 110 50.079 -7.627 -8.590 708 HD1 HIS 110 HD1 HIS 110 48.664 -10.061 -9.921 709 HD2 HIS 110 HD2 HIS 110 46.732 -6.668 -8.497 710 HE1 HIS 110 HE1 HIS 110 46.491 -9.944 -11.182 711 HE2 HIS 110 HE2 HIS 110 45.310 -7.871 -10.313 712 H HIS 111 H HIS 111 52.083 -8.229 -7.241 713 HA HIS 111 HA HIS 111 53.594 -10.286 -8.647 714 HB2 HIS 111 HB1 HIS 111 52.681 -8.054 -10.024 715 HB3 HIS 111 HB2 HIS 111 54.343 -7.629 -9.595 716 HD1 HIS 111 HD1 HIS 111 52.682 -10.758 -11.013 717 HD2 HIS 111 HD2 HIS 111 56.042 -8.373 -11.544 718 HE1 HIS 111 HE1 HIS 111 53.948 -11.797 -12.921 719 HE2 HIS 111 HE2 HIS 111 56.003 -10.339 -13.246 720 H HIS 112 H HIS 112 53.653 -7.155 -6.992 721 HA HIS 112 HA HIS 112 56.391 -7.675 -6.095 722 HB2 HIS 112 HB1 HIS 112 54.946 -5.327 -6.797 723 HB3 HIS 112 HB2 HIS 112 55.356 -5.205 -5.085 724 HD1 HIS 112 HD1 HIS 112 58.138 -6.566 -5.148 725 HD2 HIS 112 HD2 HIS 112 56.866 -3.669 -7.840 726 HE1 HIS 112 HE1 HIS 112 60.238 -5.526 -6.058 727 HE2 HIS 112 HE2 HIS 112 59.461 -3.756 -7.705 Start of MODEL 32 1 H1 MET 18 H MET 18 -31.349 -3.332 -33.418 2 HA MET 18 HA MET 18 -30.404 -5.450 -33.264 3 HB2 MET 18 HB1 MET 18 -28.433 -4.184 -35.136 4 HB3 MET 18 HB2 MET 18 -28.001 -5.674 -34.286 5 HG2 MET 18 HG1 MET 18 -28.871 -6.620 -36.145 6 HG3 MET 18 HG2 MET 18 -30.364 -6.439 -35.219 7 HE1 MET 18 HE1 MET 18 -31.393 -6.159 -38.678 8 HE2 MET 18 HE2 MET 18 -31.538 -6.891 -37.081 9 HE3 MET 18 HE3 MET 18 -32.515 -5.481 -37.497 10 H LEU 19 H LEU 19 -30.156 -5.382 -31.094 11 HA LEU 19 HA LEU 19 -27.516 -4.706 -30.082 12 HB2 LEU 19 HB1 LEU 19 -29.841 -3.035 -29.693 13 HB3 LEU 19 HB2 LEU 19 -29.240 -3.658 -28.146 14 HG LEU 19 HG LEU 19 -27.010 -2.698 -29.626 15 HD11 LEU 19 HD11 LEU 19 -29.420 -0.920 -29.660 16 HD12 LEU 19 HD12 LEU 19 -28.275 -1.269 -30.955 17 HD13 LEU 19 HD13 LEU 19 -27.788 -0.250 -29.600 18 HD21 LEU 19 HD21 LEU 19 -27.502 -2.878 -27.109 19 HD22 LEU 19 HD22 LEU 19 -28.298 -1.315 -27.298 20 HD23 LEU 19 HD23 LEU 19 -26.584 -1.485 -27.684 21 H VAL 20 H VAL 20 -26.911 -5.919 -28.340 22 HA VAL 20 HA VAL 20 -28.595 -8.180 -27.699 23 HB VAL 20 HB VAL 20 -26.146 -8.428 -28.066 24 HG11 VAL 20 HG11 VAL 20 -25.548 -6.297 -26.886 25 HG12 VAL 20 HG12 VAL 20 -25.836 -7.138 -25.362 26 HG13 VAL 20 HG13 VAL 20 -24.561 -7.690 -26.449 27 HG21 VAL 20 HG21 VAL 20 -27.200 -9.251 -25.362 28 HG22 VAL 20 HG22 VAL 20 -27.346 -10.150 -26.873 29 HG23 VAL 20 HG23 VAL 20 -25.762 -9.924 -26.131 30 H LEU 21 H LEU 21 -29.533 -8.641 -25.752 31 HA LEU 21 HA LEU 21 -30.246 -6.474 -24.078 32 HB2 LEU 21 HB1 LEU 21 -30.957 -9.241 -24.408 33 HB3 LEU 21 HB2 LEU 21 -30.727 -8.873 -22.690 34 HG LEU 21 HG LEU 21 -32.436 -7.034 -24.286 35 HD11 LEU 21 HD11 LEU 21 -32.950 -9.596 -24.702 36 HD12 LEU 21 HD12 LEU 21 -34.236 -8.412 -24.475 37 HD13 LEU 21 HD13 LEU 21 -33.735 -9.438 -23.131 38 HD21 LEU 21 HD21 LEU 21 -33.729 -7.216 -22.078 39 HD22 LEU 21 HD22 LEU 21 -32.174 -6.385 -22.059 40 HD23 LEU 21 HD23 LEU 21 -32.297 -8.042 -21.464 41 H ASP 22 H ASP 22 -29.574 -5.892 -22.053 42 HA ASP 22 HA ASP 22 -27.603 -7.464 -20.636 43 HB2 ASP 22 HB1 ASP 22 -26.181 -6.241 -22.199 44 HB3 ASP 22 HB2 ASP 22 -26.918 -4.714 -21.696 45 HD2 ASP 22 HD ASP 22 -24.197 -6.356 -19.344 46 H PHE 23 H PHE 23 -29.098 -7.529 -18.966 47 HA PHE 23 HA PHE 23 -28.994 -5.390 -17.114 48 HB2 PHE 23 HB1 PHE 23 -31.026 -5.157 -19.060 49 HB3 PHE 23 HB2 PHE 23 -31.825 -5.679 -17.576 50 HD1 PHE 23 HD1 PHE 23 -31.372 -4.362 -15.438 51 HD2 PHE 23 HD2 PHE 23 -30.426 -2.915 -19.328 52 HE1 PHE 23 HE1 PHE 23 -31.306 -2.063 -14.563 53 HE2 PHE 23 HE2 PHE 23 -30.358 -0.615 -18.459 54 HZ PHE 23 HZ PHE 23 -30.797 -0.186 -16.074 55 H ASN 24 H ASN 24 -29.254 -6.191 -15.120 56 HA ASN 24 HA ASN 24 -30.551 -8.825 -14.866 57 HB2 ASN 24 HB1 ASN 24 -27.982 -7.785 -13.893 58 HB3 ASN 24 HB2 ASN 24 -28.940 -8.591 -12.645 59 HD21 ASN 24 HD21 ASN 24 -26.440 -9.302 -14.187 60 HD22 ASN 24 HD22 ASN 24 -26.738 -10.906 -14.754 61 H ASN 25 H ASN 25 -31.508 -9.271 -12.727 62 HA ASN 25 HA ASN 25 -32.339 -6.883 -11.251 63 HB2 ASN 25 HB1 ASN 25 -34.020 -7.677 -13.104 64 HB3 ASN 25 HB2 ASN 25 -34.409 -8.943 -11.933 65 HD21 ASN 25 HD21 ASN 25 -36.386 -7.308 -12.623 66 HD22 ASN 25 HD22 ASN 25 -36.760 -6.200 -11.350 67 H ILE 26 H ILE 26 -31.488 -7.337 -9.312 68 HA ILE 26 HA ILE 26 -31.845 -10.040 -8.213 69 HB ILE 26 HB ILE 26 -30.007 -7.863 -7.213 70 HG12 ILE 26 HG11 ILE 26 -28.337 -9.745 -8.158 71 HG13 ILE 26 HG12 ILE 26 -29.684 -9.965 -9.286 72 HG21 ILE 26 HG21 ILE 26 -30.128 -9.184 -5.388 73 HG22 ILE 26 HG22 ILE 26 -30.693 -10.581 -6.302 74 HG23 ILE 26 HG23 ILE 26 -28.978 -10.169 -6.291 75 HD11 ILE 26 HD11 ILE 26 -28.614 -8.385 -10.464 76 HD12 ILE 26 HD12 ILE 26 -29.447 -7.287 -9.363 77 HD13 ILE 26 HD13 ILE 26 -27.774 -7.747 -9.050 78 H ARG 27 H ARG 27 -33.190 -10.378 -6.564 79 HA ARG 27 HA ARG 27 -34.626 -8.114 -5.443 80 HB2 ARG 27 HB1 ARG 27 -35.456 -10.574 -6.201 81 HB3 ARG 27 HB2 ARG 27 -35.203 -10.846 -4.469 82 HG2 ARG 27 HG1 ARG 27 -37.385 -10.195 -4.433 83 HG3 ARG 27 HG2 ARG 27 -36.593 -8.619 -4.258 84 HD2 ARG 27 HD1 ARG 27 -37.206 -9.667 -6.998 85 HD3 ARG 27 HD2 ARG 27 -38.495 -8.951 -6.021 86 HE ARG 27 HE ARG 27 -36.366 -7.565 -7.333 87 HH11 ARG 27 HH11 ARG 27 -38.533 -7.480 -4.610 88 HH12 ARG 27 HH12 ARG 27 -38.478 -5.755 -4.454 89 HH21 ARG 27 HH21 ARG 27 -36.285 -5.294 -7.138 90 HH22 ARG 27 HH22 ARG 27 -37.200 -4.513 -5.893 91 H SER 28 H SER 28 -34.708 -7.583 -3.269 92 HA SER 28 HA SER 28 -33.821 -7.189 -1.208 93 HB2 SER 28 HB1 SER 28 -33.212 -10.160 -1.239 94 HB3 SER 28 HB2 SER 28 -33.430 -9.127 0.185 95 HG SER 28 HG SER 28 -35.292 -10.470 -0.617 96 H SER 29 H SER 29 -32.101 -6.051 -2.499 97 HA SER 29 HA SER 29 -29.480 -7.238 -1.875 98 HB2 SER 29 HB1 SER 29 -28.541 -6.344 -3.915 99 HB3 SER 29 HB2 SER 29 -29.970 -7.308 -4.328 100 HG SER 29 HG SER 29 -30.046 -5.355 -5.440 101 H ALA 30 H ALA 30 -31.295 -4.258 -2.488 102 HA ALA 30 HA ALA 30 -29.231 -2.678 -1.163 103 HB1 ALA 30 HB1 ALA 30 -31.485 -2.102 -2.973 104 HB2 ALA 30 HB2 ALA 30 -31.128 -0.870 -1.761 105 HB3 ALA 30 HB3 ALA 30 -29.876 -1.382 -2.893 106 H ASP 31 H ASP 31 -29.507 -1.606 0.757 107 HA ASP 31 HA ASP 31 -32.069 -1.836 2.144 108 HB2 ASP 31 HB1 ASP 31 -29.500 -2.600 3.539 109 HB3 ASP 31 HB2 ASP 31 -31.162 -2.829 4.102 110 HD2 ASP 31 HD ASP 31 -31.583 -5.685 2.144 111 H LEU 32 H LEU 32 -32.189 0.427 1.790 112 HA LEU 32 HA LEU 32 -31.952 2.619 2.344 113 HB2 LEU 32 HB1 LEU 32 -30.519 1.691 4.824 114 HB3 LEU 32 HB2 LEU 32 -31.502 3.148 4.596 115 HG LEU 32 HG LEU 32 -32.587 0.331 4.629 116 HD11 LEU 32 HD11 LEU 32 -33.154 2.287 6.784 117 HD12 LEU 32 HD12 LEU 32 -31.581 1.491 6.791 118 HD13 LEU 32 HD13 LEU 32 -33.056 0.526 6.844 119 HD21 LEU 32 HD21 LEU 32 -33.679 2.705 3.631 120 HD22 LEU 32 HD22 LEU 32 -34.453 2.447 5.195 121 HD23 LEU 32 HD23 LEU 32 -34.522 1.191 3.958 122 H HIS 33 H HIS 33 -30.446 2.879 0.592 123 HA HIS 33 HA HIS 33 -27.657 3.222 1.478 124 HB2 HIS 33 HB1 HIS 33 -28.865 2.388 -1.135 125 HB3 HIS 33 HB2 HIS 33 -27.303 3.211 -1.133 126 HD1 HIS 33 HD1 HIS 33 -26.890 0.600 -2.185 127 HD2 HIS 33 HD2 HIS 33 -27.181 1.123 1.925 128 HE1 HIS 33 HE1 HIS 33 -25.798 -1.426 -1.171 129 HE2 HIS 33 HE2 HIS 33 -25.976 -1.107 1.341 130 H GLY 34 H GLY 34 -26.636 5.153 1.164 131 HA2 GLY 34 HA2 GLY 34 -27.113 7.186 -0.558 132 HA3 GLY 34 HA3 GLY 34 -28.337 7.438 0.679 133 HA1 GLY 34 HA1 GLY 34 -26.497 6.732 -0.119 134 H ALA 35 H ALA 35 -24.841 6.778 0.432 135 HA ALA 35 HA ALA 35 -24.381 8.315 2.865 136 HB1 ALA 35 HB1 ALA 35 -21.908 7.593 2.058 137 HB2 ALA 35 HB2 ALA 35 -22.957 6.584 3.055 138 HB3 ALA 35 HB3 ALA 35 -22.876 6.320 1.313 139 H ARG 36 H ARG 36 -22.449 9.826 2.839 140 HA ARG 36 HA ARG 36 -21.652 11.097 0.442 141 HB2 ARG 36 HB1 ARG 36 -22.788 13.284 0.825 142 HB3 ARG 36 HB2 ARG 36 -23.884 11.977 0.353 143 HG2 ARG 36 HG1 ARG 36 -23.838 11.899 3.144 144 HG3 ARG 36 HG2 ARG 36 -23.906 13.616 2.717 145 HD2 ARG 36 HD1 ARG 36 -25.721 12.516 0.970 146 HD3 ARG 36 HD2 ARG 36 -25.929 11.524 2.419 147 HE ARG 36 HE ARG 36 -26.970 13.294 3.401 148 HH11 ARG 36 HH11 ARG 36 -24.957 14.492 0.826 149 HH12 ARG 36 HH12 ARG 36 -25.487 16.132 0.999 150 HH21 ARG 36 HH21 ARG 36 -27.676 15.450 3.639 151 HH22 ARG 36 HH22 ARG 36 -27.033 16.676 2.600 152 H LYS 37 H LYS 37 -19.928 10.303 2.109 153 HA LYS 37 HA LYS 37 -19.378 11.899 4.377 154 HB2 LYS 37 HB1 LYS 37 -17.798 9.953 2.727 155 HB3 LYS 37 HB2 LYS 37 -16.988 10.921 3.968 156 HG2 LYS 37 HG1 LYS 37 -18.648 10.046 5.629 157 HG3 LYS 37 HG2 LYS 37 -19.220 8.945 4.363 158 HD2 LYS 37 HD1 LYS 37 -16.851 8.108 4.149 159 HD3 LYS 37 HD2 LYS 37 -16.473 9.053 5.600 160 HE2 LYS 37 HE1 LYS 37 -18.615 7.738 6.526 161 HE3 LYS 37 HE2 LYS 37 -18.071 6.571 5.310 162 HZ1 LYS 37 HZ1 LYS 37 -16.195 6.100 6.458 163 HZ2 LYS 37 HZ2 LYS 37 -17.144 6.581 7.773 164 HZ3 LYS 37 HZ3 LYS 37 -16.033 7.660 7.091 165 H GLY 38 H GLY 38 -17.696 11.792 1.225 166 HA2 GLY 38 HA2 GLY 38 -17.182 13.755 -0.035 167 HA3 GLY 38 HA3 GLY 38 -17.270 14.691 1.451 168 HA1 GLY 38 HA1 GLY 38 -16.807 13.005 0.240 169 H SER 39 H SER 39 -15.484 11.715 0.681 170 HA SER 39 HA SER 39 -12.955 13.018 0.537 171 HB2 SER 39 HB1 SER 39 -13.071 13.289 2.890 172 HB3 SER 39 HB2 SER 39 -13.738 11.661 3.115 173 HG SER 39 HG SER 39 -11.746 11.078 3.403 174 H GLN 40 H GLN 40 -12.210 11.827 -1.098 175 HA GLN 40 HA GLN 40 -12.868 9.184 -1.675 176 HB2 GLN 40 HB1 GLN 40 -11.151 11.199 -2.738 177 HB3 GLN 40 HB2 GLN 40 -10.235 9.686 -2.637 178 HG2 GLN 40 HG1 GLN 40 -12.899 9.265 -3.709 179 HG3 GLN 40 HG2 GLN 40 -11.969 10.437 -4.653 180 HE21 GLN 40 HE21 GLN 40 -12.088 7.153 -3.490 181 HE22 GLN 40 HE22 GLN 40 -10.934 6.507 -4.602 182 H CYS 41 H CYS 41 -9.994 10.469 -0.019 183 HA CYS 41 HA CYS 41 -9.780 8.087 1.579 184 HB2 CYS 41 HB1 CYS 41 -7.431 7.596 0.873 185 HB3 CYS 41 HB2 CYS 41 -8.645 7.232 -0.355 186 H LEU 42 H LEU 42 -8.355 8.324 3.344 187 HA LEU 42 HA LEU 42 -7.585 11.114 3.849 188 HB2 LEU 42 HB1 LEU 42 -8.904 9.106 5.410 189 HB3 LEU 42 HB2 LEU 42 -7.390 9.571 6.208 190 HG LEU 42 HG LEU 42 -8.674 11.967 5.447 191 HD11 LEU 42 HD11 LEU 42 -10.842 11.850 6.290 192 HD12 LEU 42 HD12 LEU 42 -10.557 10.296 7.075 193 HD13 LEU 42 HD13 LEU 42 -10.690 10.386 5.318 194 HD21 LEU 42 HD21 LEU 42 -7.215 11.726 7.353 195 HD22 LEU 42 HD22 LEU 42 -8.338 10.599 8.113 196 HD23 LEU 42 HD23 LEU 42 -8.797 12.288 7.894 197 H SER 43 H SER 43 -6.386 7.855 3.650 198 HA SER 43 HA SER 43 -3.666 8.830 3.641 199 HB2 SER 43 HB1 SER 43 -4.532 6.784 5.707 200 HB3 SER 43 HB2 SER 43 -2.875 7.340 5.418 201 HG SER 43 HG SER 43 -5.032 8.721 6.574 202 H ASP 44 H ASP 44 -2.116 6.909 3.319 203 HA ASP 44 HA ASP 44 -2.791 5.574 0.976 204 HB2 ASP 44 HB1 ASP 44 -0.750 4.333 1.227 205 HB3 ASP 44 HB2 ASP 44 -0.470 5.971 1.832 206 HD2 ASP 44 HD ASP 44 -0.272 4.809 5.156 207 H THR 45 H THR 45 -3.376 4.718 4.284 208 HA THR 45 HA THR 45 -3.796 1.942 3.938 209 HB THR 45 HB THR 45 -5.307 2.319 6.052 210 HG1 THR 45 HG1 THR 45 -5.029 4.264 7.036 211 HG21 THR 45 HG21 THR 45 -3.133 2.643 7.413 212 HG22 THR 45 HG22 THR 45 -2.328 2.605 5.844 213 HG23 THR 45 HG23 THR 45 -3.277 1.220 6.383 214 H ASP 46 H ASP 46 -5.745 4.725 3.276 215 HA ASP 46 HA ASP 46 -8.277 3.432 3.263 216 HB2 ASP 46 HB1 ASP 46 -7.450 6.031 3.134 217 HB3 ASP 46 HB2 ASP 46 -7.933 5.737 1.459 218 HD2 ASP 46 HD ASP 46 -11.287 5.581 2.281 219 H CYS 47 H CYS 47 -5.697 3.738 0.952 220 HA CYS 47 HA CYS 47 -7.320 2.812 -1.265 221 HB2 CYS 47 HB1 CYS 47 -5.151 4.409 -1.180 222 HB3 CYS 47 HB2 CYS 47 -4.360 2.860 -1.485 223 H ASN 48 H ASN 48 -7.851 0.737 -1.382 224 HA ASN 48 HA ASN 48 -6.713 -1.354 0.044 225 HB2 ASN 48 HB1 ASN 48 -8.310 -1.316 -2.521 226 HB3 ASN 48 HB2 ASN 48 -7.812 -2.822 -1.739 227 HD21 ASN 48 HD21 ASN 48 -9.870 -0.047 -1.542 228 HD22 ASN 48 HD22 ASN 48 -10.861 -0.615 -0.245 229 H THR 49 H THR 49 -6.235 -0.579 -3.404 230 HA THR 49 HA THR 49 -4.329 -2.517 -3.972 231 HB THR 49 HB THR 49 -3.559 -0.314 -5.504 232 HG1 THR 49 HG1 THR 49 -5.296 0.913 -4.779 233 HG21 THR 49 HG21 THR 49 -4.901 -1.424 -7.274 234 HG22 THR 49 HG22 THR 49 -5.617 -2.460 -6.040 235 HG23 THR 49 HG23 THR 49 -3.886 -2.547 -6.372 236 H ARG 50 H ARG 50 -1.997 -1.826 -4.698 237 HA ARG 50 HA ARG 50 -0.653 -0.969 -2.287 238 HB2 ARG 50 HB1 ARG 50 1.420 -1.537 -3.533 239 HB3 ARG 50 HB2 ARG 50 0.255 -2.868 -3.464 240 HG2 ARG 50 HG1 ARG 50 -0.140 -1.229 -5.824 241 HG3 ARG 50 HG2 ARG 50 1.505 -1.878 -5.726 242 HD2 ARG 50 HD1 ARG 50 0.458 -4.143 -5.261 243 HD3 ARG 50 HD2 ARG 50 -1.087 -3.406 -5.706 244 HE ARG 50 HE ARG 50 0.537 -2.833 -7.812 245 HH11 ARG 50 HH11 ARG 50 -0.374 -5.757 -6.159 246 HH12 ARG 50 HH12 ARG 50 -0.220 -6.756 -7.566 247 HH21 ARG 50 HH21 ARG 50 0.744 -4.137 -9.673 248 HH22 ARG 50 HH22 ARG 50 0.416 -5.833 -9.564 249 H LYS 51 H LYS 51 -1.948 1.192 -2.930 250 HA LYS 51 HA LYS 51 0.101 2.969 -4.055 251 HB2 LYS 51 HB1 LYS 51 -2.865 3.148 -4.642 252 HB3 LYS 51 HB2 LYS 51 -1.624 4.282 -5.199 253 HG2 LYS 51 HG1 LYS 51 -0.862 2.892 -6.823 254 HG3 LYS 51 HG2 LYS 51 -1.245 1.432 -5.895 255 HD2 LYS 51 HD1 LYS 51 -2.900 1.247 -7.439 256 HD3 LYS 51 HD2 LYS 51 -3.733 2.330 -6.311 257 HE2 LYS 51 HE1 LYS 51 -3.480 4.181 -7.662 258 HE3 LYS 51 HE2 LYS 51 -2.025 3.532 -8.435 259 HZ1 LYS 51 HZ1 LYS 51 -3.960 3.562 -9.920 260 HZ2 LYS 51 HZ2 LYS 51 -4.774 2.501 -8.885 261 HZ3 LYS 51 HZ3 LYS 51 -3.369 1.995 -9.680 262 H PHE 52 H PHE 52 -0.186 5.241 -3.405 263 HA PHE 52 HA PHE 52 -1.253 5.383 -0.674 264 HB2 PHE 52 HB1 PHE 52 0.286 7.146 -0.245 265 HB3 PHE 52 HB2 PHE 52 1.183 5.897 -1.111 266 HD1 PHE 52 HD1 PHE 52 1.815 6.198 -3.464 267 HD2 PHE 52 HD2 PHE 52 -0.065 9.299 -1.235 268 HE1 PHE 52 HE1 PHE 52 2.516 7.837 -5.159 269 HE2 PHE 52 HE2 PHE 52 0.632 10.942 -2.927 270 HZ PHE 52 HZ PHE 52 1.925 10.213 -4.893 271 H CYS 53 H CYS 53 -2.244 7.429 0.008 272 HA CYS 53 HA CYS 53 -4.194 8.290 -1.933 273 HB2 CYS 53 HB1 CYS 53 -4.808 7.856 0.420 274 HB3 CYS 53 HB2 CYS 53 -3.766 9.187 0.925 275 H LEU 54 H LEU 54 -3.710 9.802 -3.376 276 HA LEU 54 HA LEU 54 -1.834 11.936 -2.640 277 HB2 LEU 54 HB1 LEU 54 -1.305 10.601 -4.642 278 HB3 LEU 54 HB2 LEU 54 -2.846 11.105 -5.356 279 HG LEU 54 HG LEU 54 -1.783 13.519 -4.928 280 HD11 LEU 54 HD11 LEU 54 0.633 13.371 -5.593 281 HD12 LEU 54 HD12 LEU 54 0.555 11.649 -5.226 282 HD13 LEU 54 HD13 LEU 54 0.268 12.835 -3.952 283 HD21 LEU 54 HD21 LEU 54 -1.588 13.646 -7.194 284 HD22 LEU 54 HD22 LEU 54 -2.498 12.138 -7.075 285 HD23 LEU 54 HD23 LEU 54 -0.751 12.099 -7.321 286 H GLN 55 H GLN 55 -2.565 13.911 -2.236 287 HA GLN 55 HA GLN 55 -5.190 14.689 -3.320 288 HB2 GLN 55 HB1 GLN 55 -5.435 16.086 -1.215 289 HB3 GLN 55 HB2 GLN 55 -5.577 14.331 -1.013 290 HG2 GLN 55 HG1 GLN 55 -3.706 14.169 0.236 291 HG3 GLN 55 HG2 GLN 55 -2.876 15.451 -0.657 292 HE21 GLN 55 HE21 GLN 55 -2.251 15.963 1.618 293 HE22 GLN 55 HE22 GLN 55 -3.277 17.038 2.500 294 HA PRO 56 HA PRO 56 -2.145 17.750 -4.849 295 HB2 PRO 56 HB1 PRO 56 -3.478 18.220 -7.195 296 HB3 PRO 56 HB2 PRO 56 -2.362 16.876 -6.963 297 HG2 PRO 56 HG1 PRO 56 -5.355 16.916 -6.773 298 HG3 PRO 56 HG2 PRO 56 -4.280 15.723 -7.593 299 HD2 PRO 56 HD1 PRO 56 -5.404 15.258 -5.167 300 HD3 PRO 56 HD2 PRO 56 -3.802 14.645 -5.612 301 H ARG 57 H ARG 57 -2.307 19.999 -5.039 302 HA ARG 57 HA ARG 57 -4.613 21.151 -3.733 303 HB2 ARG 57 HB1 ARG 57 -2.100 22.467 -4.794 304 HB3 ARG 57 HB2 ARG 57 -3.317 23.236 -3.767 305 HG2 ARG 57 HG1 ARG 57 -2.737 21.957 -1.893 306 HG3 ARG 57 HG2 ARG 57 -1.851 20.779 -2.876 307 HD2 ARG 57 HD1 ARG 57 -0.012 22.158 -3.138 308 HD3 ARG 57 HD2 ARG 57 -0.961 23.627 -2.866 309 HE ARG 57 HE ARG 57 -0.609 23.408 -0.609 310 HH11 ARG 57 HH11 ARG 57 0.280 20.450 -2.215 311 HH12 ARG 57 HH12 ARG 57 1.011 19.753 -0.807 312 HH21 ARG 57 HH21 ARG 57 0.349 22.501 1.251 313 HH22 ARG 57 HH22 ARG 57 1.048 20.920 1.164 314 H ASP 58 H ASP 58 -3.347 20.869 -6.944 315 HA ASP 58 HA ASP 58 -5.116 22.935 -7.990 316 HB2 ASP 58 HB1 ASP 58 -2.703 21.583 -8.892 317 HB3 ASP 58 HB2 ASP 58 -3.947 21.611 -10.148 318 HD2 ASP 58 HD ASP 58 -2.723 25.177 -8.886 319 H GLU 59 H GLU 59 -4.995 19.513 -7.594 320 HA GLU 59 HA GLU 59 -7.446 19.253 -9.209 321 HB2 GLU 59 HB1 GLU 59 -4.973 17.806 -9.367 322 HB3 GLU 59 HB2 GLU 59 -6.268 16.700 -8.881 323 HG2 GLU 59 HG1 GLU 59 -7.513 17.986 -10.887 324 HG3 GLU 59 HG2 GLU 59 -5.835 18.102 -11.435 325 HE2 GLU 59 HE GLU 59 -7.305 14.421 -11.081 326 H LYS 60 H LYS 60 -8.480 16.958 -8.502 327 HA LYS 60 HA LYS 60 -9.183 17.354 -5.710 328 HB2 LYS 60 HB1 LYS 60 -10.424 16.150 -8.072 329 HB3 LYS 60 HB2 LYS 60 -10.639 15.184 -6.603 330 HG2 LYS 60 HG1 LYS 60 -11.245 17.651 -5.660 331 HG3 LYS 60 HG2 LYS 60 -11.794 17.780 -7.341 332 HD2 LYS 60 HD1 LYS 60 -12.733 15.302 -6.608 333 HD3 LYS 60 HD2 LYS 60 -12.910 16.245 -5.117 334 HE2 LYS 60 HE1 LYS 60 -14.945 16.549 -6.265 335 HE3 LYS 60 HE2 LYS 60 -14.017 18.028 -6.556 336 HZ1 LYS 60 HZ1 LYS 60 -13.259 16.853 -8.680 337 HZ2 LYS 60 HZ2 LYS 60 -14.836 17.463 -8.635 338 HZ3 LYS 60 HZ3 LYS 60 -14.563 15.807 -8.422 339 HA PRO 61 HA PRO 61 -6.945 13.994 -3.994 340 HB2 PRO 61 HB1 PRO 61 -8.725 12.952 -2.193 341 HB3 PRO 61 HB2 PRO 61 -7.912 14.501 -1.973 342 HG2 PRO 61 HG1 PRO 61 -10.657 13.927 -3.039 343 HG3 PRO 61 HG2 PRO 61 -10.136 15.171 -1.843 344 HD2 PRO 61 HD1 PRO 61 -10.635 15.760 -4.446 345 HD3 PRO 61 HD2 PRO 61 -9.390 16.591 -3.498 346 H PHE 62 H PHE 62 -6.477 11.929 -4.499 347 HA PHE 62 HA PHE 62 -8.416 9.907 -4.935 348 HB2 PHE 62 HB1 PHE 62 -8.275 9.574 -7.287 349 HB3 PHE 62 HB2 PHE 62 -8.638 11.284 -7.045 350 HD1 PHE 62 HD1 PHE 62 -6.430 12.798 -6.785 351 HD2 PHE 62 HD2 PHE 62 -6.686 9.102 -8.880 352 HE1 PHE 62 HE1 PHE 62 -4.474 13.432 -8.135 353 HE2 PHE 62 HE2 PHE 62 -4.729 9.729 -10.233 354 HZ PHE 62 HZ PHE 62 -3.620 11.896 -9.861 355 H CYS 63 H CYS 63 -7.306 7.931 -6.042 356 HA CYS 63 HA CYS 63 -4.809 7.527 -4.627 357 HB2 CYS 63 HB1 CYS 63 -6.775 5.759 -6.041 358 HB3 CYS 63 HB2 CYS 63 -5.144 5.161 -5.729 359 H ALA 64 H ALA 64 -2.843 7.557 -5.506 360 HA ALA 64 HA ALA 64 -2.612 7.409 -8.440 361 HB1 ALA 64 HB1 ALA 64 -0.514 9.017 -7.332 362 HB2 ALA 64 HB2 ALA 64 -1.716 9.436 -8.554 363 HB3 ALA 64 HB3 ALA 64 -2.083 9.658 -6.844 364 H THR 65 H THR 65 -0.820 6.353 -9.256 365 HA THR 65 HA THR 65 0.231 4.226 -7.816 366 HB THR 65 HB THR 65 2.079 5.114 -9.875 367 HG1 THR 65 HG1 THR 65 0.681 5.352 -11.536 368 HG21 THR 65 HG21 THR 65 1.296 2.751 -8.876 369 HG22 THR 65 HG22 THR 65 1.997 2.926 -10.485 370 HG23 THR 65 HG23 THR 65 0.247 2.825 -10.290 371 H CYS 66 H CYS 66 2.093 3.865 -6.680 372 HA CYS 66 HA CYS 66 3.238 5.974 -5.248 373 HB2 CYS 66 HB1 CYS 66 4.964 4.299 -4.564 374 HB3 CYS 66 HB2 CYS 66 3.301 3.754 -4.341 375 H ARG 67 H ARG 67 5.753 6.208 -5.169 376 HA ARG 67 HA ARG 67 6.535 7.189 -7.782 377 HB2 ARG 67 HB1 ARG 67 7.806 7.385 -5.046 378 HB3 ARG 67 HB2 ARG 67 8.534 8.061 -6.510 379 HG2 ARG 67 HG1 ARG 67 5.848 8.829 -5.364 380 HG3 ARG 67 HG2 ARG 67 7.347 9.766 -5.241 381 HD2 ARG 67 HD1 ARG 67 6.930 9.135 -7.990 382 HD3 ARG 67 HD2 ARG 67 5.419 9.774 -7.328 383 HE ARG 67 HE ARG 67 7.864 11.220 -7.763 384 HH11 ARG 67 HH11 ARG 67 4.899 11.094 -5.943 385 HH12 ARG 67 HH12 ARG 67 4.881 12.793 -5.605 386 HH21 ARG 67 HH21 ARG 67 7.852 13.458 -7.325 387 HH22 ARG 67 HH22 ARG 67 6.560 14.137 -6.394 388 H GLY 68 H GLY 68 7.841 6.167 -9.156 389 HA2 GLY 68 HA2 GLY 68 8.802 3.550 -8.613 390 HA3 GLY 68 HA3 GLY 68 9.164 4.508 -10.041 391 HA1 GLY 68 HA1 GLY 68 8.957 4.123 -7.961 392 H LEU 69 H LEU 69 11.197 3.085 -9.367 393 HA LEU 69 HA LEU 69 12.868 4.004 -7.299 394 HB2 LEU 69 HB1 LEU 69 13.139 2.291 -9.689 395 HB3 LEU 69 HB2 LEU 69 14.635 3.039 -9.104 396 HG LEU 69 HG LEU 69 12.812 1.251 -7.495 397 HD11 LEU 69 HD11 LEU 69 13.991 -0.479 -8.224 398 HD12 LEU 69 HD12 LEU 69 15.513 0.334 -7.861 399 HD13 LEU 69 HD13 LEU 69 14.726 0.591 -9.418 400 HD21 LEU 69 HD21 LEU 69 14.738 1.304 -5.885 401 HD22 LEU 69 HD22 LEU 69 13.827 2.809 -6.013 402 HD23 LEU 69 HD23 LEU 69 15.389 2.652 -6.817 403 H ARG 70 H ARG 70 12.238 5.202 -10.489 404 HA ARG 70 HA ARG 70 14.520 7.032 -10.349 405 HB2 ARG 70 HB1 ARG 70 12.545 6.587 -12.602 406 HB3 ARG 70 HB2 ARG 70 14.025 7.555 -12.678 407 HG2 ARG 70 HG1 ARG 70 15.028 5.168 -11.865 408 HG3 ARG 70 HG2 ARG 70 13.662 4.653 -12.870 409 HD2 ARG 70 HD1 ARG 70 15.381 6.803 -13.978 410 HD3 ARG 70 HD2 ARG 70 16.094 5.187 -13.862 411 HE ARG 70 HE ARG 70 13.577 4.918 -15.030 412 HH11 ARG 70 HH11 ARG 70 16.666 6.359 -15.743 413 HH12 ARG 70 HH12 ARG 70 16.495 6.190 -17.459 414 HH21 ARG 70 HH21 ARG 70 13.341 4.690 -17.288 415 HH22 ARG 70 HH22 ARG 70 14.604 5.241 -18.337 416 H ARG 71 H ARG 71 11.733 7.073 -8.930 417 HA ARG 71 HA ARG 71 10.993 9.816 -9.692 418 HB2 ARG 71 HB1 ARG 71 9.438 7.642 -8.276 419 HB3 ARG 71 HB2 ARG 71 8.874 9.314 -8.415 420 HG2 ARG 71 HG1 ARG 71 9.451 7.453 -10.723 421 HG3 ARG 71 HG2 ARG 71 7.850 7.886 -10.101 422 HD2 ARG 71 HD1 ARG 71 8.630 10.341 -10.533 423 HD3 ARG 71 HD2 ARG 71 9.815 9.571 -11.597 424 HE ARG 71 HE ARG 71 7.355 8.506 -12.275 425 HH11 ARG 71 HH11 ARG 71 8.872 11.639 -12.236 426 HH12 ARG 71 HH12 ARG 71 7.946 12.248 -13.567 427 HH21 ARG 71 HH21 ARG 71 6.127 9.297 -14.028 428 HH22 ARG 71 HH22 ARG 71 6.385 10.916 -14.585 429 H ARG 72 H ARG 72 10.853 11.429 -8.157 430 HA ARG 72 HA ARG 72 12.561 11.142 -5.881 431 HB2 ARG 72 HB1 ARG 72 10.779 13.413 -6.792 432 HB3 ARG 72 HB2 ARG 72 11.896 13.510 -5.421 433 HG2 ARG 72 HG1 ARG 72 13.139 12.581 -7.910 434 HG3 ARG 72 HG2 ARG 72 12.489 14.228 -7.976 435 HD2 ARG 72 HD1 ARG 72 13.712 14.546 -5.701 436 HD3 ARG 72 HD2 ARG 72 14.620 13.111 -6.197 437 HE ARG 72 HE ARG 72 15.768 14.405 -7.685 438 HH11 ARG 72 HH11 ARG 72 12.836 16.057 -6.793 439 HH12 ARG 72 HH12 ARG 72 13.242 17.510 -7.645 440 HH21 ARG 72 HH21 ARG 72 16.314 16.312 -8.809 441 HH22 ARG 72 HH22 ARG 72 15.220 17.654 -8.792 442 H CYS 73 H CYS 73 11.905 11.766 -3.675 443 HA CYS 73 HA CYS 73 9.115 11.455 -2.977 444 HB2 CYS 73 HB1 CYS 73 9.414 9.537 -1.529 445 HB3 CYS 73 HB2 CYS 73 9.899 9.116 -3.172 446 H GLN 74 H GLN 74 8.682 11.940 -0.744 447 HA GLN 74 HA GLN 74 10.867 13.450 0.531 448 HB2 GLN 74 HB1 GLN 74 7.945 14.022 0.220 449 HB3 GLN 74 HB2 GLN 74 8.797 14.640 1.645 450 HG2 GLN 74 HG1 GLN 74 9.961 15.125 -1.061 451 HG3 GLN 74 HG2 GLN 74 8.577 16.085 -0.522 452 HE21 GLN 74 HE21 GLN 74 8.930 16.707 1.961 453 HE22 GLN 74 HE22 GLN 74 10.432 17.509 2.252 454 H ARG 75 H ARG 75 8.350 11.093 0.935 455 HA ARG 75 HA ARG 75 9.149 10.758 3.752 456 HB2 ARG 75 HB1 ARG 75 6.583 11.175 2.661 457 HB3 ARG 75 HB2 ARG 75 6.645 9.473 3.144 458 HG2 ARG 75 HG1 ARG 75 7.489 10.253 5.395 459 HG3 ARG 75 HG2 ARG 75 7.067 11.892 4.872 460 HD2 ARG 75 HD1 ARG 75 5.010 9.738 4.619 461 HD3 ARG 75 HD2 ARG 75 5.360 10.404 6.221 462 HE ARG 75 HE ARG 75 4.930 12.484 4.340 463 HH11 ARG 75 HH11 ARG 75 3.264 10.080 6.229 464 HH12 ARG 75 HH12 ARG 75 1.784 10.978 6.305 465 HH21 ARG 75 HH21 ARG 75 2.988 13.677 4.434 466 HH22 ARG 75 HH22 ARG 75 1.628 13.024 5.284 467 H ASP 76 H ASP 76 8.661 8.438 4.524 468 HA ASP 76 HA ASP 76 10.148 6.661 2.812 469 HB2 ASP 76 HB1 ASP 76 8.810 5.775 5.349 470 HB3 ASP 76 HB2 ASP 76 10.358 5.265 4.664 471 HD2 ASP 76 HD ASP 76 12.046 7.956 6.090 472 H ALA 77 H ALA 77 6.940 6.489 4.366 473 HA ALA 77 HA ALA 77 6.104 4.211 2.900 474 HB1 ALA 77 HB1 ALA 77 3.827 4.830 3.736 475 HB2 ALA 77 HB2 ALA 77 5.057 4.671 4.991 476 HB3 ALA 77 HB3 ALA 77 4.550 6.272 4.452 477 H MET 78 H MET 78 6.122 7.603 2.213 478 HA MET 78 HA MET 78 4.071 7.778 0.328 479 HB2 MET 78 HB1 MET 78 6.482 9.331 1.023 480 HB3 MET 78 HB2 MET 78 5.911 9.538 -0.641 481 HG2 MET 78 HG1 MET 78 3.854 9.702 1.483 482 HG3 MET 78 HG2 MET 78 5.036 11.011 1.409 483 HE1 MET 78 HE1 MET 78 5.512 12.449 -0.679 484 HE2 MET 78 HE2 MET 78 5.625 11.119 -1.831 485 HE3 MET 78 HE3 MET 78 4.538 12.471 -2.150 486 H CYS 79 H CYS 79 7.164 6.275 0.147 487 HA CYS 79 HA CYS 79 7.272 6.238 -2.739 488 HB2 CYS 79 HB1 CYS 79 9.066 5.687 -0.566 489 HB3 CYS 79 HB2 CYS 79 9.028 4.295 -1.651 490 H CYS 80 H CYS 80 7.953 3.810 -3.525 491 HA CYS 80 HA CYS 80 5.487 2.377 -3.486 492 HB2 CYS 80 HB1 CYS 80 8.188 1.907 -4.723 493 HB3 CYS 80 HB2 CYS 80 6.957 0.645 -4.761 494 HA PRO 81 HA PRO 81 6.083 -0.498 -0.226 495 HB2 PRO 81 HB1 PRO 81 4.966 -2.775 -1.260 496 HB3 PRO 81 HB2 PRO 81 4.025 -1.371 -0.759 497 HG2 PRO 81 HG1 PRO 81 4.963 -2.152 -3.497 498 HG3 PRO 81 HG2 PRO 81 3.342 -1.566 -2.973 499 HD2 PRO 81 HD1 PRO 81 5.154 0.040 -4.199 500 HD3 PRO 81 HD2 PRO 81 4.033 0.633 -2.962 501 H GLY 82 H GLY 82 8.022 -1.252 0.351 502 HA2 GLY 82 HA2 GLY 82 9.526 -3.138 0.367 503 HA3 GLY 82 HA3 GLY 82 9.285 -3.285 -1.368 504 HA1 GLY 82 HA1 GLY 82 9.506 -2.264 0.483 505 H THR 83 H THR 83 9.521 -0.082 -0.889 506 HA THR 83 HA THR 83 12.444 -0.101 -1.273 507 HB THR 83 HB THR 83 11.739 2.262 -2.370 508 HG1 THR 83 HG1 THR 83 9.694 2.278 -2.886 509 HG21 THR 83 HG21 THR 83 11.986 1.194 -4.538 510 HG22 THR 83 HG22 THR 83 11.657 -0.385 -3.824 511 HG23 THR 83 HG23 THR 83 13.125 0.491 -3.391 512 H LEU 84 H LEU 84 13.377 2.192 -0.845 513 HA LEU 84 HA LEU 84 12.126 3.362 1.543 514 HB2 LEU 84 HB1 LEU 84 14.549 1.860 1.437 515 HB3 LEU 84 HB2 LEU 84 14.946 3.548 1.799 516 HG LEU 84 HG LEU 84 12.767 2.343 3.396 517 HD11 LEU 84 HD11 LEU 84 15.334 1.062 3.140 518 HD12 LEU 84 HD12 LEU 84 13.914 0.563 4.058 519 HD13 LEU 84 HD13 LEU 84 15.088 1.662 4.781 520 HD21 LEU 84 HD21 LEU 84 15.148 3.823 4.425 521 HD22 LEU 84 HD22 LEU 84 13.486 3.816 5.016 522 HD23 LEU 84 HD23 LEU 84 13.894 4.691 3.538 523 H CYS 85 H CYS 85 12.578 5.560 1.914 524 HA CYS 85 HA CYS 85 13.180 7.040 -0.501 525 HB2 CYS 85 HB1 CYS 85 11.310 7.510 1.259 526 HB3 CYS 85 HB2 CYS 85 12.602 8.308 2.158 527 H VAL 86 H VAL 86 15.296 7.197 -0.956 528 HA VAL 86 HA VAL 86 17.070 8.206 1.170 529 HB VAL 86 HB VAL 86 17.815 6.316 -1.066 530 HG11 VAL 86 HG11 VAL 86 19.607 7.897 -0.572 531 HG12 VAL 86 HG12 VAL 86 19.511 7.484 1.140 532 HG13 VAL 86 HG13 VAL 86 20.031 6.273 -0.033 533 HG21 VAL 86 HG21 VAL 86 18.489 5.122 1.306 534 HG22 VAL 86 HG22 VAL 86 16.966 5.918 1.700 535 HG23 VAL 86 HG23 VAL 86 17.041 4.774 0.361 536 H ASN 87 H ASN 87 18.319 9.938 0.694 537 HA ASN 87 HA ASN 87 19.050 11.797 -0.393 538 HB2 ASN 87 HB1 ASN 87 20.019 9.764 -1.802 539 HB3 ASN 87 HB2 ASN 87 18.930 10.412 -3.036 540 HD21 ASN 87 HD21 ASN 87 21.622 10.368 -3.459 541 HD22 ASN 87 HD22 ASN 87 22.243 11.981 -3.454 542 H ASP 88 H ASP 88 16.202 11.389 -0.098 543 HA ASP 88 HA ASP 88 14.260 12.423 -0.679 544 HB2 ASP 88 HB1 ASP 88 15.958 14.363 -0.948 545 HB3 ASP 88 HB2 ASP 88 15.766 14.083 -2.684 546 HD2 ASP 88 HD ASP 88 12.418 15.199 -0.868 547 H VAL 89 H VAL 89 15.412 10.124 -2.220 548 HA VAL 89 HA VAL 89 13.472 10.207 -4.391 549 HB VAL 89 HB VAL 89 15.578 10.985 -5.421 550 HG11 VAL 89 HG11 VAL 89 17.223 9.932 -4.055 551 HG12 VAL 89 HG12 VAL 89 16.617 8.326 -4.461 552 HG13 VAL 89 HG13 VAL 89 17.417 9.305 -5.691 553 HG21 VAL 89 HG21 VAL 89 13.927 9.711 -6.724 554 HG22 VAL 89 HG22 VAL 89 15.572 9.437 -7.294 555 HG23 VAL 89 HG23 VAL 89 14.767 8.217 -6.309 556 H CYS 90 H CYS 90 12.793 8.162 -5.098 557 HA CYS 90 HA CYS 90 12.797 6.133 -3.148 558 HB2 CYS 90 HB1 CYS 90 11.376 6.695 -5.475 559 HB3 CYS 90 HB2 CYS 90 12.199 5.175 -5.835 560 H THR 91 H THR 91 14.151 4.510 -2.745 561 HA THR 91 HA THR 91 15.923 3.518 -4.837 562 HB THR 91 HB THR 91 16.968 4.559 -2.198 563 HG1 THR 91 HG1 THR 91 17.322 5.408 -4.894 564 HG21 THR 91 HG21 THR 91 18.096 2.489 -2.883 565 HG22 THR 91 HG22 THR 91 19.171 3.882 -3.014 566 HG23 THR 91 HG23 THR 91 18.432 3.198 -4.462 567 H THR 92 H THR 92 16.583 1.405 -4.545 568 HA THR 92 HA THR 92 14.951 -0.330 -3.150 569 HB THR 92 HB THR 92 16.738 -2.040 -3.453 570 HG1 THR 92 HG1 THR 92 18.232 0.019 -4.718 571 HG21 THR 92 HG21 THR 92 15.152 -0.925 -5.329 572 HG22 THR 92 HG22 THR 92 16.244 -2.272 -5.652 573 HG23 THR 92 HG23 THR 92 16.734 -0.624 -6.045 574 H MET 93 H MET 93 15.260 -1.613 -1.273 575 HA MET 93 HA MET 93 16.321 -0.169 0.941 576 HB2 MET 93 HB1 MET 93 14.334 -1.859 0.824 577 HB3 MET 93 HB2 MET 93 15.594 -3.074 1.082 578 HG2 MET 93 HG1 MET 93 15.900 -0.918 2.966 579 HG3 MET 93 HG2 MET 93 14.258 -1.562 3.015 580 HE1 MET 93 HE1 MET 93 14.688 -1.896 5.325 581 HE2 MET 93 HE2 MET 93 15.135 -3.483 5.952 582 HE3 MET 93 HE3 MET 93 16.353 -2.213 5.813 583 H GLU 94 H GLU 94 17.497 -2.732 -1.104 584 HA GLU 94 HA GLU 94 19.521 -3.761 0.535 585 HB2 GLU 94 HB1 GLU 94 19.089 -3.629 -2.430 586 HB3 GLU 94 HB2 GLU 94 20.630 -4.222 -1.793 587 HG2 GLU 94 HG1 GLU 94 19.045 -5.736 -0.315 588 HG3 GLU 94 HG2 GLU 94 17.929 -5.440 -1.655 589 HE2 GLU 94 HE GLU 94 21.189 -7.581 -2.418 590 H ASP 95 H ASP 95 19.496 -1.010 -1.678 591 HA ASP 95 HA ASP 95 22.286 -0.418 -1.166 592 HB2 ASP 95 HB1 ASP 95 21.162 -0.060 -3.401 593 HB3 ASP 95 HB2 ASP 95 20.277 1.277 -2.656 594 HD2 ASP 95 HD ASP 95 23.093 3.317 -2.613 595 H ALA 96 H ALA 96 19.138 0.665 -0.116 596 HA ALA 96 HA ALA 96 19.990 3.085 1.109 597 HB1 ALA 96 HB1 ALA 96 17.797 2.975 2.280 598 HB2 ALA 96 HB2 ALA 96 17.681 2.819 0.527 599 HB3 ALA 96 HB3 ALA 96 17.539 1.390 1.551 600 H THR 97 H THR 97 21.779 2.658 2.398 601 HA THR 97 HA THR 97 21.169 1.684 5.042 602 HB THR 97 HB THR 97 23.537 0.352 3.796 603 HG1 THR 97 HG1 THR 97 22.334 -1.117 2.797 604 HG21 THR 97 HG21 THR 97 21.767 -1.075 5.658 605 HG22 THR 97 HG22 THR 97 22.513 0.380 6.319 606 HG23 THR 97 HG23 THR 97 23.522 -0.908 5.665 607 H GLU 98 H GLU 98 23.935 2.404 2.903 608 HA GLU 98 HA GLU 98 24.729 4.562 4.684 609 HB2 GLU 98 HB1 GLU 98 26.131 1.990 4.468 610 HB3 GLU 98 HB2 GLU 98 27.172 3.402 4.218 611 HG2 GLU 98 HG1 GLU 98 27.070 4.045 6.368 612 HG3 GLU 98 HG2 GLU 98 25.371 3.577 6.530 613 HE2 GLU 98 HE GLU 98 27.722 0.424 6.851 614 H ASN 99 H ASN 99 26.545 5.847 3.747 615 HA ASN 99 HA ASN 99 26.669 5.641 0.818 616 HB2 ASN 99 HB1 ASN 99 25.587 7.839 2.455 617 HB3 ASN 99 HB2 ASN 99 26.750 8.350 1.228 618 HD21 ASN 99 HD21 ASN 99 23.752 6.587 1.723 619 HD22 ASN 99 HD22 ASN 99 23.131 6.829 0.130 620 H LEU 100 H LEU 100 28.619 6.098 -0.087 621 HA LEU 100 HA LEU 100 30.860 6.443 -0.247 622 HB2 LEU 100 HB1 LEU 100 29.846 8.628 1.092 623 HB3 LEU 100 HB2 LEU 100 31.154 8.077 2.151 624 HG LEU 100 HG LEU 100 32.416 8.081 -0.252 625 HD11 LEU 100 HD11 LEU 100 30.917 10.641 -0.394 626 HD12 LEU 100 HD12 LEU 100 30.153 9.191 -1.043 627 HD13 LEU 100 HD13 LEU 100 31.714 9.721 -1.670 628 HD21 LEU 100 HD21 LEU 100 32.933 9.160 2.044 629 HD22 LEU 100 HD22 LEU 100 32.220 10.611 1.337 630 HD23 LEU 100 HD23 LEU 100 33.633 9.865 0.587 631 H TYR 101 H TYR 101 32.978 6.389 1.159 632 HA TYR 101 HA TYR 101 32.824 3.938 2.687 633 HB2 TYR 101 HB1 TYR 101 34.907 5.486 1.314 634 HB3 TYR 101 HB2 TYR 101 35.443 4.781 2.842 635 HD1 TYR 101 HD1 TYR 101 36.567 2.791 2.599 636 HD2 TYR 101 HD2 TYR 101 33.303 3.618 -0.003 637 HE1 TYR 101 HE1 TYR 101 36.889 0.608 1.512 638 HE2 TYR 101 HE2 TYR 101 33.615 1.436 -1.096 639 HH TYR 101 HH TYR 101 35.645 -0.197 -1.399 640 H PHE 102 H PHE 102 33.406 3.671 4.835 641 HA PHE 102 HA PHE 102 33.471 6.151 6.424 642 HB2 PHE 102 HB1 PHE 102 32.333 5.016 8.192 643 HB3 PHE 102 HB2 PHE 102 31.446 4.683 6.704 644 HD1 PHE 102 HD1 PHE 102 31.718 2.478 5.562 645 HD2 PHE 102 HD2 PHE 102 33.266 3.246 9.452 646 HE1 PHE 102 HE1 PHE 102 31.897 0.057 5.965 647 HE2 PHE 102 HE2 PHE 102 33.449 0.827 9.861 648 HZ PHE 102 HZ PHE 102 32.765 -0.771 8.116 649 H GLN 103 H GLN 103 34.995 3.109 5.772 650 HA GLN 103 HA GLN 103 37.060 3.748 7.774 651 HB2 GLN 103 HB1 GLN 103 35.442 1.489 7.726 652 HB3 GLN 103 HB2 GLN 103 36.966 0.942 7.007 653 HG2 GLN 103 HG1 GLN 103 38.201 1.419 8.928 654 HG3 GLN 103 HG2 GLN 103 36.936 2.467 9.582 655 HE21 GLN 103 HE21 GLN 103 36.913 1.336 11.530 656 HE22 GLN 103 HE22 GLN 103 36.194 -0.228 11.671 657 H SER 104 H SER 104 39.134 2.369 7.197 658 HA SER 104 HA SER 104 39.642 2.727 4.315 659 HB2 SER 104 HB1 SER 104 41.805 3.007 6.394 660 HB3 SER 104 HB2 SER 104 41.751 3.651 4.743 661 HG SER 104 HG SER 104 40.645 4.664 7.079 662 H LEU 105 H LEU 105 38.795 0.321 5.754 663 HA LEU 105 HA LEU 105 39.263 -1.902 5.852 664 HB2 LEU 105 HB1 LEU 105 41.323 -1.127 3.778 665 HB3 LEU 105 HB2 LEU 105 40.824 -2.784 4.158 666 HG LEU 105 HG LEU 105 38.939 -0.683 3.099 667 HD11 LEU 105 HD11 LEU 105 39.910 -0.921 1.118 668 HD12 LEU 105 HD12 LEU 105 39.402 -2.610 1.137 669 HD13 LEU 105 HD13 LEU 105 40.999 -2.164 1.736 670 HD21 LEU 105 HD21 LEU 105 37.678 -2.799 2.457 671 HD22 LEU 105 HD22 LEU 105 37.706 -2.373 4.168 672 HD23 LEU 105 HD23 LEU 105 38.762 -3.647 3.558 673 H GLU 106 H GLU 106 40.058 -1.397 8.056 674 HA GLU 106 HA GLU 106 41.525 -1.756 9.756 675 HB2 GLU 106 HB1 GLU 106 42.304 -3.569 7.651 676 HB3 GLU 106 HB2 GLU 106 43.730 -3.022 8.547 677 HG2 GLU 106 HG1 GLU 106 42.450 -3.630 10.665 678 HG3 GLU 106 HG2 GLU 106 41.327 -4.478 9.592 679 HE2 GLU 106 HE GLU 106 44.959 -6.008 10.061 680 H HIS 107 H HIS 107 43.735 -1.213 10.550 681 HA HIS 107 HA HIS 107 45.411 0.299 10.835 682 HB2 HIS 107 HB1 HIS 107 45.982 -0.872 8.535 683 HB3 HIS 107 HB2 HIS 107 45.622 0.730 7.883 684 HD1 HIS 107 HD1 HIS 107 47.607 2.172 7.678 685 HD2 HIS 107 HD2 HIS 107 47.994 -0.529 10.811 686 HE1 HIS 107 HE1 HIS 107 49.891 2.588 8.645 687 HE2 HIS 107 HE2 HIS 107 50.127 0.939 10.562 688 H HIS 108 H HIS 108 44.075 1.873 11.769 689 HA HIS 108 HA HIS 108 43.437 4.132 9.988 690 HB2 HIS 108 HB1 HIS 108 41.410 2.930 10.819 691 HB3 HIS 108 HB2 HIS 108 41.898 3.339 12.468 692 HD1 HIS 108 HD1 HIS 108 42.232 5.849 9.705 693 HD2 HIS 108 HD2 HIS 108 39.713 5.014 12.902 694 HE1 HIS 108 HE1 HIS 108 40.760 7.872 9.947 695 HE2 HIS 108 HE2 HIS 108 39.219 7.363 11.901 696 H HIS 109 H HIS 109 43.844 3.377 13.454 697 HA HIS 109 HA HIS 109 45.847 5.464 13.686 698 HB2 HIS 109 HB1 HIS 109 43.285 6.231 14.128 699 HB3 HIS 109 HB2 HIS 109 43.733 5.679 15.745 700 HD1 HIS 109 HD1 HIS 109 45.756 7.677 13.213 701 HD2 HIS 109 HD2 HIS 109 44.370 7.913 17.122 702 HE1 HIS 109 HE1 HIS 109 46.716 9.809 14.139 703 HE2 HIS 109 HE2 HIS 109 45.871 9.954 16.529 704 H HIS 110 H HIS 110 45.676 2.540 13.985 705 HA HIS 110 HA HIS 110 46.902 2.381 16.627 706 HB2 HIS 110 HB1 HIS 110 44.743 0.456 15.729 707 HB3 HIS 110 HB2 HIS 110 45.642 0.384 17.248 708 HD1 HIS 110 HD1 HIS 110 45.368 2.842 18.656 709 HD2 HIS 110 HD2 HIS 110 42.317 1.581 16.134 710 HE1 HIS 110 HE1 HIS 110 43.315 4.080 19.414 711 HE2 HIS 110 HE2 HIS 110 41.449 3.309 17.873 712 H HIS 111 H HIS 111 48.809 2.243 15.294 713 HA HIS 111 HA HIS 111 49.113 -0.305 13.860 714 HB2 HIS 111 HB1 HIS 111 51.104 0.717 12.823 715 HB3 HIS 111 HB2 HIS 111 49.642 1.661 12.524 716 HD1 HIS 111 HD1 HIS 111 49.417 3.952 13.767 717 HD2 HIS 111 HD2 HIS 111 53.072 2.045 14.281 718 HE1 HIS 111 HE1 HIS 111 50.957 5.696 14.722 719 HE2 HIS 111 HE2 HIS 111 53.191 4.532 15.036 720 H HIS 112 H HIS 112 50.465 1.675 16.430 721 HA HIS 112 HA HIS 112 52.297 -0.523 17.119 722 HB2 HIS 112 HB1 HIS 112 53.149 1.884 16.652 723 HB3 HIS 112 HB2 HIS 112 52.488 2.258 18.247 724 HD1 HIS 112 HD1 HIS 112 54.316 2.298 19.897 725 HD2 HIS 112 HD2 HIS 112 54.832 -0.739 17.109 726 HE1 HIS 112 HE1 HIS 112 56.405 1.088 20.600 727 HE2 HIS 112 HE2 HIS 112 56.723 -0.768 18.895 Start of MODEL 33 1 H1 MET 18 H MET 18 -52.775 19.000 32.627 2 HA MET 18 HA MET 18 -53.736 17.087 31.677 3 HB2 MET 18 HB1 MET 18 -50.965 17.448 30.533 4 HB3 MET 18 HB2 MET 18 -52.142 16.322 29.842 5 HG2 MET 18 HG1 MET 18 -53.472 18.797 30.146 6 HG3 MET 18 HG2 MET 18 -51.891 19.133 29.435 7 HE1 MET 18 HE1 MET 18 -51.067 18.048 27.041 8 HE2 MET 18 HE2 MET 18 -52.328 18.424 25.866 9 HE3 MET 18 HE3 MET 18 -51.910 19.595 27.118 10 H LEU 19 H LEU 19 -52.477 16.432 34.226 11 HA LEU 19 HA LEU 19 -50.837 14.186 34.129 12 HB2 LEU 19 HB1 LEU 19 -52.233 15.645 36.089 13 HB3 LEU 19 HB2 LEU 19 -52.738 13.956 36.269 14 HG LEU 19 HG LEU 19 -49.875 14.114 36.014 15 HD11 LEU 19 HD11 LEU 19 -51.088 15.725 38.254 16 HD12 LEU 19 HD12 LEU 19 -50.140 16.367 36.913 17 HD13 LEU 19 HD13 LEU 19 -49.388 15.290 38.089 18 HD21 LEU 19 HD21 LEU 19 -51.466 13.338 38.440 19 HD22 LEU 19 HD22 LEU 19 -49.914 12.708 37.888 20 HD23 LEU 19 HD23 LEU 19 -51.390 12.314 37.005 21 H VAL 20 H VAL 20 -54.286 14.499 33.670 22 HA VAL 20 HA VAL 20 -54.714 11.628 33.704 23 HB VAL 20 HB VAL 20 -56.650 13.829 32.970 24 HG11 VAL 20 HG11 VAL 20 -56.832 11.074 32.596 25 HG12 VAL 20 HG12 VAL 20 -57.789 11.403 34.042 26 HG13 VAL 20 HG13 VAL 20 -58.149 12.244 32.533 27 HG21 VAL 20 HG21 VAL 20 -57.536 13.533 35.245 28 HG22 VAL 20 HG22 VAL 20 -56.220 12.414 35.602 29 HG23 VAL 20 HG23 VAL 20 -55.868 14.107 35.253 30 H LEU 21 H LEU 21 -54.283 10.415 31.992 31 HA LEU 21 HA LEU 21 -53.619 11.401 29.455 32 HB2 LEU 21 HB1 LEU 21 -53.654 9.103 28.708 33 HB3 LEU 21 HB2 LEU 21 -52.903 9.220 30.308 34 HG LEU 21 HG LEU 21 -55.611 8.665 30.784 35 HD11 LEU 21 HD11 LEU 21 -54.482 6.980 28.556 36 HD12 LEU 21 HD12 LEU 21 -55.933 7.979 28.507 37 HD13 LEU 21 HD13 LEU 21 -55.886 6.544 29.530 38 HD21 LEU 21 HD21 LEU 21 -52.985 7.376 31.129 39 HD22 LEU 21 HD22 LEU 21 -54.382 6.300 31.187 40 HD23 LEU 21 HD23 LEU 21 -54.273 7.666 32.298 41 H ASP 22 H ASP 22 -54.778 11.905 27.700 42 HA ASP 22 HA ASP 22 -57.607 11.113 27.605 43 HB2 ASP 22 HB1 ASP 22 -57.173 13.540 28.377 44 HB3 ASP 22 HB2 ASP 22 -56.702 13.836 26.699 45 HD2 ASP 22 HD ASP 22 -60.528 13.361 27.531 46 H PHE 23 H PHE 23 -55.914 9.607 26.269 47 HA PHE 23 HA PHE 23 -55.369 8.774 24.224 48 HB2 PHE 23 HB1 PHE 23 -57.571 10.661 23.349 49 HB3 PHE 23 HB2 PHE 23 -56.851 9.420 22.323 50 HD1 PHE 23 HD1 PHE 23 -59.619 10.093 24.219 51 HD2 PHE 23 HD2 PHE 23 -56.742 7.014 23.616 52 HE1 PHE 23 HE1 PHE 23 -61.222 8.432 25.070 53 HE2 PHE 23 HE2 PHE 23 -58.342 5.348 24.464 54 HZ PHE 23 HZ PHE 23 -60.585 6.056 25.191 55 H ASN 24 H ASN 24 -53.289 9.835 24.448 56 HA ASN 24 HA ASN 24 -52.892 11.849 22.349 57 HB2 ASN 24 HB1 ASN 24 -51.320 13.085 23.728 58 HB3 ASN 24 HB2 ASN 24 -52.883 12.989 24.549 59 HD21 ASN 24 HD21 ASN 24 -49.938 13.202 25.384 60 HD22 ASN 24 HD22 ASN 24 -49.802 12.041 26.657 61 H ASN 25 H ASN 25 -51.452 11.179 20.911 62 HA ASN 25 HA ASN 25 -49.393 9.255 21.776 63 HB2 ASN 25 HB1 ASN 25 -51.148 8.284 20.280 64 HB3 ASN 25 HB2 ASN 25 -50.651 9.432 19.030 65 HD21 ASN 25 HD21 ASN 25 -49.770 6.587 20.809 66 HD22 ASN 25 HD22 ASN 25 -48.445 6.121 19.803 67 H ILE 26 H ILE 26 -47.343 9.384 20.732 68 HA ILE 26 HA ILE 26 -46.667 11.395 18.864 69 HB ILE 26 HB ILE 26 -47.031 12.937 20.699 70 HG12 ILE 26 HG11 ILE 26 -44.057 12.778 20.672 71 HG13 ILE 26 HG12 ILE 26 -44.877 12.921 19.109 72 HG21 ILE 26 HG21 ILE 26 -44.903 12.244 22.464 73 HG22 ILE 26 HG22 ILE 26 -46.626 12.385 22.808 74 HG23 ILE 26 HG23 ILE 26 -45.959 10.846 22.265 75 HD11 ILE 26 HD11 ILE 26 -46.133 14.892 20.282 76 HD12 ILE 26 HD12 ILE 26 -44.720 14.879 21.338 77 HD13 ILE 26 HD13 ILE 26 -44.523 15.121 19.602 78 H ARG 27 H ARG 27 -44.698 11.002 17.993 79 HA ARG 27 HA ARG 27 -42.518 9.840 19.356 80 HB2 ARG 27 HB1 ARG 27 -44.391 7.949 18.886 81 HB3 ARG 27 HB2 ARG 27 -43.478 7.864 17.373 82 HG2 ARG 27 HG1 ARG 27 -41.387 7.668 18.825 83 HG3 ARG 27 HG2 ARG 27 -42.506 7.357 20.163 84 HD2 ARG 27 HD1 ARG 27 -42.654 5.792 17.593 85 HD3 ARG 27 HD2 ARG 27 -41.549 5.340 18.898 86 HE ARG 27 HE ARG 27 -44.387 4.972 18.843 87 HH11 ARG 27 HH11 ARG 27 -41.627 5.428 20.916 88 HH12 ARG 27 HH12 ARG 27 -42.361 4.652 22.281 89 HH21 ARG 27 HH21 ARG 27 -45.364 3.949 20.634 90 HH22 ARG 27 HH22 ARG 27 -44.485 3.812 22.119 91 H SER 28 H SER 28 -40.654 9.826 18.113 92 HA SER 28 HA SER 28 -40.794 10.230 15.253 93 HB2 SER 28 HB1 SER 28 -41.149 12.515 16.300 94 HB3 SER 28 HB2 SER 28 -39.499 12.383 16.933 95 HG SER 28 HG SER 28 -40.200 13.241 14.568 96 H SER 29 H SER 29 -38.842 9.847 14.204 97 HA SER 29 HA SER 29 -36.568 9.080 15.903 98 HB2 SER 29 HB1 SER 29 -36.316 7.278 13.898 99 HB3 SER 29 HB2 SER 29 -37.157 6.935 15.419 100 HG SER 29 HG SER 29 -38.223 6.623 13.169 101 H ALA 30 H ALA 30 -35.843 11.233 15.235 102 HA ALA 30 HA ALA 30 -34.140 11.051 12.922 103 HB1 ALA 30 HB1 ALA 30 -36.041 11.781 11.726 104 HB2 ALA 30 HB2 ALA 30 -36.447 12.980 12.956 105 HB3 ALA 30 HB3 ALA 30 -35.023 13.206 11.940 106 H ASP 31 H ASP 31 -32.316 11.573 13.966 107 HA ASP 31 HA ASP 31 -32.062 14.257 15.035 108 HB2 ASP 31 HB1 ASP 31 -32.771 12.529 16.889 109 HB3 ASP 31 HB2 ASP 31 -31.069 12.054 16.805 110 HD2 ASP 31 HD ASP 31 -30.114 14.753 18.667 111 H LEU 32 H LEU 32 -30.487 11.117 14.534 112 HA LEU 32 HA LEU 32 -27.852 12.201 14.423 113 HB2 LEU 32 HB1 LEU 32 -28.989 9.557 13.502 114 HB3 LEU 32 HB2 LEU 32 -27.264 9.964 13.476 115 HG LEU 32 HG LEU 32 -28.593 10.273 16.089 116 HD11 LEU 32 HD11 LEU 32 -28.080 7.530 14.951 117 HD12 LEU 32 HD12 LEU 32 -29.676 8.239 15.198 118 HD13 LEU 32 HD13 LEU 32 -28.631 7.916 16.583 119 HD21 LEU 32 HD21 LEU 32 -26.148 10.567 15.607 120 HD22 LEU 32 HD22 LEU 32 -26.067 8.832 15.301 121 HD23 LEU 32 HD23 LEU 32 -26.522 9.427 16.899 122 H HIS 33 H HIS 33 -26.501 11.565 12.355 123 HA HIS 33 HA HIS 33 -27.864 11.946 9.849 124 HB2 HIS 33 HB1 HIS 33 -27.006 14.240 11.269 125 HB3 HIS 33 HB2 HIS 33 -25.870 14.016 9.934 126 HD1 HIS 33 HD1 HIS 33 -26.608 14.768 7.671 127 HD2 HIS 33 HD2 HIS 33 -29.777 14.454 10.339 128 HE1 HIS 33 HE1 HIS 33 -28.600 15.718 6.465 129 HE2 HIS 33 HE2 HIS 33 -30.538 15.525 8.094 130 H GLY 34 H GLY 34 -26.807 10.811 8.359 131 HA2 GLY 34 HA2 GLY 34 -23.909 10.762 8.297 132 HA3 GLY 34 HA3 GLY 34 -24.660 9.224 8.695 133 HA1 GLY 34 HA1 GLY 34 -24.549 11.170 7.847 134 H ALA 35 H ALA 35 -24.234 11.659 6.217 135 HA ALA 35 HA ALA 35 -24.460 9.687 4.153 136 HB1 ALA 35 HB1 ALA 35 -26.516 10.031 3.360 137 HB2 ALA 35 HB2 ALA 35 -26.856 10.812 4.905 138 HB3 ALA 35 HB3 ALA 35 -26.374 11.782 3.514 139 H ARG 36 H ARG 36 -23.845 10.496 2.071 140 HA ARG 36 HA ARG 36 -22.579 11.751 0.660 141 HB2 ARG 36 HB1 ARG 36 -24.221 13.669 2.136 142 HB3 ARG 36 HB2 ARG 36 -22.706 14.368 1.542 143 HG2 ARG 36 HG1 ARG 36 -24.111 12.743 -0.450 144 HG3 ARG 36 HG2 ARG 36 -25.017 14.159 0.109 145 HD2 ARG 36 HD1 ARG 36 -23.454 15.662 -0.692 146 HD3 ARG 36 HD2 ARG 36 -22.142 14.477 -0.616 147 HE ARG 36 HE ARG 36 -24.093 13.715 -2.535 148 HH11 ARG 36 HH11 ARG 36 -21.439 15.903 -1.999 149 HH12 ARG 36 HH12 ARG 36 -21.044 16.044 -3.680 150 HH21 ARG 36 HH21 ARG 36 -23.583 13.892 -4.751 151 HH22 ARG 36 HH22 ARG 36 -22.265 14.899 -5.244 152 H LYS 37 H LYS 37 -20.586 10.929 1.231 153 HA LYS 37 HA LYS 37 -19.117 12.137 3.432 154 HB2 LYS 37 HB1 LYS 37 -19.072 9.629 2.066 155 HB3 LYS 37 HB2 LYS 37 -17.473 10.377 1.917 156 HG2 LYS 37 HG1 LYS 37 -18.494 10.603 4.618 157 HG3 LYS 37 HG2 LYS 37 -18.433 8.918 4.070 158 HD2 LYS 37 HD1 LYS 37 -16.124 8.986 3.686 159 HD3 LYS 37 HD2 LYS 37 -16.097 10.758 3.663 160 HE2 LYS 37 HE1 LYS 37 -15.507 10.729 5.812 161 HE3 LYS 37 HE2 LYS 37 -17.104 10.060 6.180 162 HZ1 LYS 37 HZ1 LYS 37 -16.260 7.860 6.025 163 HZ2 LYS 37 HZ2 LYS 37 -15.207 8.724 7.027 164 HZ3 LYS 37 HZ3 LYS 37 -14.770 8.391 5.427 165 H GLY 38 H GLY 38 -18.349 14.119 2.971 166 HA2 GLY 38 HA2 GLY 38 -17.682 15.132 0.470 167 HA3 GLY 38 HA3 GLY 38 -17.053 15.741 1.994 168 HA1 GLY 38 HA1 GLY 38 -17.501 14.269 0.526 169 H SER 39 H SER 39 -15.590 13.532 2.846 170 HA SER 39 HA SER 39 -13.289 13.771 1.100 171 HB2 SER 39 HB1 SER 39 -13.549 12.259 3.717 172 HB3 SER 39 HB2 SER 39 -12.045 12.711 2.895 173 HG SER 39 HG SER 39 -13.102 14.099 4.712 174 H GLN 40 H GLN 40 -12.245 12.094 0.057 175 HA GLN 40 HA GLN 40 -13.913 9.751 -0.463 176 HB2 GLN 40 HB1 GLN 40 -12.017 11.342 -1.996 177 HB3 GLN 40 HB2 GLN 40 -11.682 9.607 -2.121 178 HG2 GLN 40 HG1 GLN 40 -13.152 9.719 -3.817 179 HG3 GLN 40 HG2 GLN 40 -14.332 9.573 -2.509 180 HE21 GLN 40 HE21 GLN 40 -15.946 10.936 -2.667 181 HE22 GLN 40 HE22 GLN 40 -15.880 12.533 -3.323 182 H CYS 41 H CYS 41 -10.472 10.465 0.156 183 HA CYS 41 HA CYS 41 -10.293 7.899 1.583 184 HB2 CYS 41 HB1 CYS 41 -8.120 7.455 0.639 185 HB3 CYS 41 HB2 CYS 41 -9.268 7.711 -0.676 186 H LEU 42 H LEU 42 -8.917 7.846 3.359 187 HA LEU 42 HA LEU 42 -8.226 10.479 4.424 188 HB2 LEU 42 HB1 LEU 42 -9.328 8.135 5.532 189 HB3 LEU 42 HB2 LEU 42 -7.713 8.314 6.238 190 HG LEU 42 HG LEU 42 -9.648 10.604 6.245 191 HD11 LEU 42 HD11 LEU 42 -10.950 9.715 7.810 192 HD12 LEU 42 HD12 LEU 42 -9.562 9.137 8.733 193 HD13 LEU 42 HD13 LEU 42 -10.219 8.157 7.422 194 HD21 LEU 42 HD21 LEU 42 -8.220 10.671 8.551 195 HD22 LEU 42 HD22 LEU 42 -7.762 11.507 7.066 196 HD23 LEU 42 HD23 LEU 42 -7.054 9.936 7.448 197 H SER 43 H SER 43 -6.780 7.451 3.442 198 HA SER 43 HA SER 43 -4.188 8.667 3.284 199 HB2 SER 43 HB1 SER 43 -4.873 7.346 5.705 200 HB3 SER 43 HB2 SER 43 -3.734 6.300 4.838 201 HG SER 43 HG SER 43 -3.308 9.065 5.316 202 H ASP 44 H ASP 44 -2.512 6.789 2.778 203 HA ASP 44 HA ASP 44 -3.261 5.666 0.343 204 HB2 ASP 44 HB1 ASP 44 -1.195 4.245 0.607 205 HB3 ASP 44 HB2 ASP 44 -0.939 5.984 0.805 206 HD2 ASP 44 HD ASP 44 -0.046 3.638 3.780 207 H THR 45 H THR 45 -3.642 4.476 3.578 208 HA THR 45 HA THR 45 -3.911 1.740 3.122 209 HB THR 45 HB THR 45 -5.474 1.802 5.142 210 HG1 THR 45 HG1 THR 45 -5.144 3.979 6.235 211 HG21 THR 45 HG21 THR 45 -2.996 3.264 5.872 212 HG22 THR 45 HG22 THR 45 -2.809 1.742 5.002 213 HG23 THR 45 HG23 THR 45 -3.673 1.780 6.539 214 H ASP 46 H ASP 46 -6.051 4.363 2.385 215 HA ASP 46 HA ASP 46 -8.429 2.807 2.117 216 HB2 ASP 46 HB1 ASP 46 -7.873 5.497 2.215 217 HB3 ASP 46 HB2 ASP 46 -8.271 5.258 0.507 218 HD2 ASP 46 HD ASP 46 -11.170 5.229 3.113 219 H CYS 47 H CYS 47 -5.725 3.524 0.070 220 HA CYS 47 HA CYS 47 -7.092 2.558 -2.316 221 HB2 CYS 47 HB1 CYS 47 -4.407 3.812 -1.789 222 HB3 CYS 47 HB2 CYS 47 -4.739 3.002 -3.320 223 H ASN 48 H ASN 48 -5.392 1.162 -3.727 224 HA ASN 48 HA ASN 48 -5.432 -1.401 -2.668 225 HB2 ASN 48 HB1 ASN 48 -5.009 -0.461 -5.120 226 HB3 ASN 48 HB2 ASN 48 -3.320 -0.721 -4.663 227 HD21 ASN 48 HD21 ASN 48 -4.293 -2.126 -6.728 228 HD22 ASN 48 HD22 ASN 48 -4.501 -3.787 -6.297 229 H THR 49 H THR 49 -3.391 -2.807 -2.467 230 HA THR 49 HA THR 49 -1.914 -1.880 -0.231 231 HB THR 49 HB THR 49 -0.932 -4.205 -1.824 232 HG1 THR 49 HG1 THR 49 -2.647 -5.471 -1.093 233 HG21 THR 49 HG21 THR 49 -1.187 -3.447 1.064 234 HG22 THR 49 HG22 THR 49 0.242 -3.964 0.167 235 HG23 THR 49 HG23 THR 49 -1.000 -5.139 0.601 236 H ARG 50 H ARG 50 -1.215 -2.126 -3.668 237 HA ARG 50 HA ARG 50 1.480 -1.058 -3.196 238 HB2 ARG 50 HB1 ARG 50 0.276 -2.279 -5.693 239 HB3 ARG 50 HB2 ARG 50 1.946 -1.719 -5.523 240 HG2 ARG 50 HG1 ARG 50 2.363 -3.879 -5.069 241 HG3 ARG 50 HG2 ARG 50 1.810 -3.429 -3.448 242 HD2 ARG 50 HD1 ARG 50 -0.217 -4.480 -3.682 243 HD3 ARG 50 HD2 ARG 50 -0.240 -4.250 -5.435 244 HE ARG 50 HE ARG 50 1.812 -6.059 -4.591 245 HH11 ARG 50 HH11 ARG 50 -1.574 -5.770 -5.348 246 HH12 ARG 50 HH12 ARG 50 -1.757 -7.441 -5.767 247 HH21 ARG 50 HH21 ARG 50 1.584 -8.261 -5.140 248 HH22 ARG 50 HH22 ARG 50 0.040 -8.857 -5.648 249 H LYS 51 H LYS 51 -0.928 0.559 -2.987 250 HA LYS 51 HA LYS 51 -0.168 2.636 -4.887 251 HB2 LYS 51 HB1 LYS 51 -2.799 1.247 -4.818 252 HB3 LYS 51 HB2 LYS 51 -2.818 3.004 -5.037 253 HG2 LYS 51 HG1 LYS 51 -2.559 2.613 -7.209 254 HG3 LYS 51 HG2 LYS 51 -0.888 2.166 -6.817 255 HD2 LYS 51 HD1 LYS 51 -1.967 -0.176 -6.276 256 HD3 LYS 51 HD2 LYS 51 -3.242 0.414 -7.355 257 HE2 LYS 51 HE1 LYS 51 -1.127 1.043 -8.868 258 HE3 LYS 51 HE2 LYS 51 -0.427 -0.302 -7.956 259 HZ1 LYS 51 HZ1 LYS 51 -1.715 -1.797 -8.998 260 HZ2 LYS 51 HZ2 LYS 51 -1.851 -0.603 -10.189 261 HZ3 LYS 51 HZ3 LYS 51 -3.072 -0.789 -9.034 262 H PHE 52 H PHE 52 -0.713 4.745 -4.219 263 HA PHE 52 HA PHE 52 -1.688 4.955 -1.448 264 HB2 PHE 52 HB1 PHE 52 -0.074 6.654 -0.959 265 HB3 PHE 52 HB2 PHE 52 0.792 5.283 -1.651 266 HD1 PHE 52 HD1 PHE 52 1.672 5.374 -3.942 267 HD2 PHE 52 HD2 PHE 52 -0.141 8.757 -2.102 268 HE1 PHE 52 HE1 PHE 52 2.671 6.835 -5.651 269 HE2 PHE 52 HE2 PHE 52 0.855 10.223 -3.808 270 HZ PHE 52 HZ PHE 52 2.262 9.264 -5.585 271 H CYS 53 H CYS 53 -2.543 7.115 -0.894 272 HA CYS 53 HA CYS 53 -4.113 8.152 -3.129 273 HB2 CYS 53 HB1 CYS 53 -4.710 7.585 -0.455 274 HB3 CYS 53 HB2 CYS 53 -4.689 9.346 -0.546 275 H LEU 54 H LEU 54 -2.945 9.624 -4.235 276 HA LEU 54 HA LEU 54 -1.172 11.478 -2.962 277 HB2 LEU 54 HB1 LEU 54 -0.681 10.700 -5.189 278 HB3 LEU 54 HB2 LEU 54 -2.238 11.310 -5.775 279 HG LEU 54 HG LEU 54 -1.054 13.580 -4.785 280 HD11 LEU 54 HD11 LEU 54 1.052 11.736 -5.857 281 HD12 LEU 54 HD12 LEU 54 1.084 12.734 -4.403 282 HD13 LEU 54 HD13 LEU 54 1.205 13.488 -5.991 283 HD21 LEU 54 HD21 LEU 54 -1.979 13.991 -6.786 284 HD22 LEU 54 HD22 LEU 54 -1.604 12.383 -7.404 285 HD23 LEU 54 HD23 LEU 54 -0.370 13.642 -7.417 286 H GLN 55 H GLN 55 -1.731 13.298 -1.981 287 HA GLN 55 HA GLN 55 -4.314 14.529 -2.660 288 HB2 GLN 55 HB1 GLN 55 -4.335 13.896 -0.380 289 HB3 GLN 55 HB2 GLN 55 -2.699 14.517 -0.119 290 HG2 GLN 55 HG1 GLN 55 -3.424 16.565 0.354 291 HG3 GLN 55 HG2 GLN 55 -4.514 16.580 -1.038 292 HE21 GLN 55 HE21 GLN 55 -4.204 15.172 2.197 293 HE22 GLN 55 HE22 GLN 55 -5.884 15.260 2.586 294 HA PRO 56 HA PRO 56 -1.291 17.515 -4.367 295 HB2 PRO 56 HB1 PRO 56 -2.961 18.395 -6.350 296 HB3 PRO 56 HB2 PRO 56 -1.965 16.946 -6.489 297 HG2 PRO 56 HG1 PRO 56 -4.857 17.201 -5.739 298 HG3 PRO 56 HG2 PRO 56 -4.072 16.044 -6.877 299 HD2 PRO 56 HD1 PRO 56 -4.794 15.354 -4.351 300 HD3 PRO 56 HD2 PRO 56 -3.366 14.680 -5.157 301 H ARG 57 H ARG 57 -1.219 19.751 -4.184 302 HA ARG 57 HA ARG 57 -3.171 20.907 -2.396 303 HB2 ARG 57 HB1 ARG 57 -0.657 21.242 -2.246 304 HB3 ARG 57 HB2 ARG 57 -0.813 22.304 -3.653 305 HG2 ARG 57 HG1 ARG 57 -2.327 23.767 -2.411 306 HG3 ARG 57 HG2 ARG 57 -2.185 22.701 -1.002 307 HD2 ARG 57 HD1 ARG 57 0.413 23.137 -1.398 308 HD3 ARG 57 HD2 ARG 57 -0.219 24.611 -2.148 309 HE ARG 57 HE ARG 57 -1.489 24.418 0.287 310 HH11 ARG 57 HH11 ARG 57 1.797 24.636 -0.841 311 HH12 ARG 57 HH12 ARG 57 2.367 25.457 0.575 312 HH21 ARG 57 HH21 ARG 57 -0.752 25.497 2.156 313 HH22 ARG 57 HH22 ARG 57 0.916 25.945 2.279 314 H ASP 58 H ASP 58 -2.360 21.045 -5.773 315 HA ASP 58 HA ASP 58 -4.022 23.382 -6.246 316 HB2 ASP 58 HB1 ASP 58 -2.033 21.826 -7.775 317 HB3 ASP 58 HB2 ASP 58 -3.386 22.447 -8.728 318 HD2 ASP 58 HD ASP 58 -1.899 25.514 -8.833 319 H GLU 59 H GLU 59 -4.262 19.944 -6.329 320 HA GLU 59 HA GLU 59 -6.938 20.179 -7.540 321 HB2 GLU 59 HB1 GLU 59 -4.722 18.597 -8.376 322 HB3 GLU 59 HB2 GLU 59 -5.971 17.504 -7.764 323 HG2 GLU 59 HG1 GLU 59 -6.854 17.624 -9.802 324 HG3 GLU 59 HG2 GLU 59 -7.425 19.224 -9.308 325 HE2 GLU 59 HE GLU 59 -5.264 19.258 -12.375 326 H LYS 60 H LYS 60 -8.119 17.907 -7.007 327 HA LYS 60 HA LYS 60 -8.320 17.900 -4.106 328 HB2 LYS 60 HB1 LYS 60 -10.054 17.186 -6.375 329 HB3 LYS 60 HB2 LYS 60 -10.182 16.095 -4.985 330 HG2 LYS 60 HG1 LYS 60 -10.953 17.768 -3.565 331 HG3 LYS 60 HG2 LYS 60 -10.347 19.059 -4.616 332 HD2 LYS 60 HD1 LYS 60 -12.322 17.279 -5.884 333 HD3 LYS 60 HD2 LYS 60 -12.939 18.224 -4.516 334 HE2 LYS 60 HE1 LYS 60 -12.983 20.099 -5.726 335 HE3 LYS 60 HE2 LYS 60 -11.299 19.868 -6.221 336 HZ1 LYS 60 HZ1 LYS 60 -11.898 18.904 -8.159 337 HZ2 LYS 60 HZ2 LYS 60 -13.300 19.822 -7.933 338 HZ3 LYS 60 HZ3 LYS 60 -13.289 18.182 -7.522 339 HA PRO 61 HA PRO 61 -6.293 14.085 -3.340 340 HB2 PRO 61 HB1 PRO 61 -7.885 12.939 -1.429 341 HB3 PRO 61 HB2 PRO 61 -6.855 14.338 -1.127 342 HG2 PRO 61 HG1 PRO 61 -9.784 14.236 -1.763 343 HG3 PRO 61 HG2 PRO 61 -8.924 15.199 -0.505 344 HD2 PRO 61 HD1 PRO 61 -9.748 16.268 -2.860 345 HD3 PRO 61 HD2 PRO 61 -8.272 16.796 -2.033 346 H PHE 62 H PHE 62 -6.168 12.248 -4.457 347 HA PHE 62 HA PHE 62 -8.540 10.626 -4.904 348 HB2 PHE 62 HB1 PHE 62 -7.949 10.425 -7.370 349 HB3 PHE 62 HB2 PHE 62 -8.688 11.946 -6.865 350 HD1 PHE 62 HD1 PHE 62 -5.285 10.465 -7.251 351 HD2 PHE 62 HD2 PHE 62 -7.764 13.905 -7.616 352 HE1 PHE 62 HE1 PHE 62 -3.397 11.719 -8.207 353 HE2 PHE 62 HE2 PHE 62 -5.880 15.165 -8.574 354 HZ PHE 62 HZ PHE 62 -3.694 14.073 -8.871 355 H CYS 63 H CYS 63 -7.817 8.618 -6.300 356 HA CYS 63 HA CYS 63 -5.501 7.518 -4.916 357 HB2 CYS 63 HB1 CYS 63 -7.810 6.377 -5.149 358 HB3 CYS 63 HB2 CYS 63 -7.297 6.000 -6.795 359 H ALA 64 H ALA 64 -3.567 7.444 -5.831 360 HA ALA 64 HA ALA 64 -3.399 7.439 -8.774 361 HB1 ALA 64 HB1 ALA 64 -1.144 8.483 -7.140 362 HB2 ALA 64 HB2 ALA 64 -1.680 8.945 -8.756 363 HB3 ALA 64 HB3 ALA 64 -2.577 9.493 -7.341 364 H THR 65 H THR 65 -1.190 6.601 -9.529 365 HA THR 65 HA THR 65 -0.871 3.949 -8.459 366 HB THR 65 HB THR 65 1.052 3.950 -10.252 367 HG1 THR 65 HG1 THR 65 0.678 5.510 -11.872 368 HG21 THR 65 HG21 THR 65 -1.193 4.077 -11.925 369 HG22 THR 65 HG22 THR 65 -1.797 3.530 -10.361 370 HG23 THR 65 HG23 THR 65 -0.505 2.642 -11.168 371 H CYS 66 H CYS 66 1.428 3.085 -8.192 372 HA CYS 66 HA CYS 66 2.736 4.711 -6.185 373 HB2 CYS 66 HB1 CYS 66 2.389 1.959 -6.608 374 HB3 CYS 66 HB2 CYS 66 4.115 2.247 -6.825 375 H ARG 67 H ARG 67 5.158 4.821 -6.173 376 HA ARG 67 HA ARG 67 6.083 5.606 -8.843 377 HB2 ARG 67 HB1 ARG 67 6.613 6.538 -6.084 378 HB3 ARG 67 HB2 ARG 67 8.001 6.542 -7.182 379 HG2 ARG 67 HG1 ARG 67 6.849 8.709 -7.138 380 HG3 ARG 67 HG2 ARG 67 6.817 7.959 -8.741 381 HD2 ARG 67 HD1 ARG 67 4.553 7.432 -8.606 382 HD3 ARG 67 HD2 ARG 67 4.550 7.525 -6.840 383 HE ARG 67 HE ARG 67 5.096 10.063 -7.546 384 HH11 ARG 67 HH11 ARG 67 2.643 7.812 -8.564 385 HH12 ARG 67 HH12 ARG 67 1.469 9.041 -8.899 386 HH21 ARG 67 HH21 ARG 67 3.559 11.692 -7.983 387 HH22 ARG 67 HH22 ARG 67 1.991 11.247 -8.569 388 H GLY 68 H GLY 68 8.401 5.227 -9.341 389 HA2 GLY 68 HA2 GLY 68 9.149 2.519 -8.464 390 HA3 GLY 68 HA3 GLY 68 9.644 3.274 -9.972 391 HA1 GLY 68 HA1 GLY 68 9.158 3.202 -7.904 392 H LEU 69 H LEU 69 11.747 2.365 -9.092 393 HA LEU 69 HA LEU 69 12.999 3.670 -6.896 394 HB2 LEU 69 HB1 LEU 69 14.137 2.066 -9.189 395 HB3 LEU 69 HB2 LEU 69 15.077 2.631 -7.796 396 HG LEU 69 HG LEU 69 12.829 0.621 -7.769 397 HD11 LEU 69 HD11 LEU 69 15.384 0.183 -8.454 398 HD12 LEU 69 HD12 LEU 69 14.394 -0.997 -7.595 399 HD13 LEU 69 HD13 LEU 69 15.516 0.029 -6.702 400 HD21 LEU 69 HD21 LEU 69 14.256 2.049 -5.558 401 HD22 LEU 69 HD22 LEU 69 13.629 0.417 -5.320 402 HD23 LEU 69 HD23 LEU 69 12.532 1.730 -5.752 403 H ARG 70 H ARG 70 12.660 4.387 -10.267 404 HA ARG 70 HA ARG 70 14.741 6.433 -10.173 405 HB2 ARG 70 HB1 ARG 70 12.967 5.472 -12.431 406 HB3 ARG 70 HB2 ARG 70 14.210 6.723 -12.589 407 HG2 ARG 70 HG1 ARG 70 15.731 4.793 -11.555 408 HG3 ARG 70 HG2 ARG 70 14.497 3.791 -12.337 409 HD2 ARG 70 HD1 ARG 70 15.828 6.044 -13.822 410 HD3 ARG 70 HD2 ARG 70 16.591 4.454 -13.690 411 HE ARG 70 HE ARG 70 13.918 4.192 -14.585 412 HH11 ARG 70 HH11 ARG 70 17.084 5.178 -15.644 413 HH12 ARG 70 HH12 ARG 70 16.791 4.792 -17.307 414 HH21 ARG 70 HH21 ARG 70 13.520 3.679 -16.772 415 HH22 ARG 70 HH22 ARG 70 14.763 3.940 -17.948 416 H ARG 71 H ARG 71 11.875 6.393 -8.914 417 HA ARG 71 HA ARG 71 10.967 8.968 -10.005 418 HB2 ARG 71 HB1 ARG 71 9.589 6.683 -8.665 419 HB3 ARG 71 HB2 ARG 71 8.917 8.307 -8.464 420 HG2 ARG 71 HG1 ARG 71 9.513 7.113 -11.165 421 HG3 ARG 71 HG2 ARG 71 7.954 6.934 -10.342 422 HD2 ARG 71 HD1 ARG 71 8.542 9.668 -10.188 423 HD3 ARG 71 HD2 ARG 71 9.001 9.178 -11.826 424 HE ARG 71 HE ARG 71 6.467 8.119 -11.221 425 HH11 ARG 71 HH11 ARG 71 8.030 11.160 -11.873 426 HH12 ARG 71 HH12 ARG 71 6.609 11.897 -12.535 427 HH21 ARG 71 HH21 ARG 71 4.589 9.078 -12.092 428 HH22 ARG 71 HH22 ARG 71 4.651 10.712 -12.659 429 H ARG 72 H ARG 72 10.573 10.717 -8.654 430 HA ARG 72 HA ARG 72 12.212 10.830 -6.299 431 HB2 ARG 72 HB1 ARG 72 10.407 12.821 -7.675 432 HB3 ARG 72 HB2 ARG 72 11.255 13.190 -6.166 433 HG2 ARG 72 HG1 ARG 72 13.338 12.315 -7.598 434 HG3 ARG 72 HG2 ARG 72 12.310 12.917 -8.910 435 HD2 ARG 72 HD1 ARG 72 13.034 14.533 -6.459 436 HD3 ARG 72 HD2 ARG 72 13.920 14.596 -7.988 437 HE ARG 72 HE ARG 72 11.172 15.068 -8.444 438 HH11 ARG 72 HH11 ARG 72 14.017 16.571 -7.115 439 HH12 ARG 72 HH12 ARG 72 13.480 18.184 -7.450 440 HH21 ARG 72 HH21 ARG 72 10.454 17.186 -8.892 441 HH22 ARG 72 HH22 ARG 72 11.454 18.532 -8.460 442 H CYS 73 H CYS 73 11.434 11.582 -4.205 443 HA CYS 73 HA CYS 73 8.617 11.143 -3.621 444 HB2 CYS 73 HB1 CYS 73 8.957 9.467 -1.960 445 HB3 CYS 73 HB2 CYS 73 9.763 8.912 -3.427 446 H GLN 74 H GLN 74 7.956 11.993 -1.597 447 HA GLN 74 HA GLN 74 9.901 13.866 -0.421 448 HB2 GLN 74 HB1 GLN 74 7.430 14.402 -1.595 449 HB3 GLN 74 HB2 GLN 74 7.120 14.483 0.148 450 HG2 GLN 74 HG1 GLN 74 8.160 16.436 0.353 451 HG3 GLN 74 HG2 GLN 74 9.555 15.868 -0.576 452 HE21 GLN 74 HE21 GLN 74 9.479 16.011 -2.876 453 HE22 GLN 74 HE22 GLN 74 8.484 17.196 -3.645 454 H ARG 75 H ARG 75 7.547 11.384 0.193 455 HA ARG 75 HA ARG 75 8.290 11.448 3.039 456 HB2 ARG 75 HB1 ARG 75 5.560 11.069 1.811 457 HB3 ARG 75 HB2 ARG 75 5.936 10.532 3.455 458 HG2 ARG 75 HG1 ARG 75 6.120 12.669 4.279 459 HG3 ARG 75 HG2 ARG 75 6.534 13.348 2.696 460 HD2 ARG 75 HD1 ARG 75 3.945 12.230 2.449 461 HD3 ARG 75 HD2 ARG 75 3.975 13.151 3.960 462 HE ARG 75 HE ARG 75 4.002 14.212 1.317 463 HH11 ARG 75 HH11 ARG 75 5.143 14.765 4.559 464 HH12 ARG 75 HH12 ARG 75 5.249 16.484 4.368 465 HH21 ARG 75 HH21 ARG 75 4.139 16.473 1.052 466 HH22 ARG 75 HH22 ARG 75 4.676 17.454 2.373 467 H ASP 76 H ASP 76 8.558 9.468 4.048 468 HA ASP 76 HA ASP 76 9.481 7.340 2.480 469 HB2 ASP 76 HB1 ASP 76 8.492 7.023 5.314 470 HB3 ASP 76 HB2 ASP 76 9.805 6.156 4.505 471 HD2 ASP 76 HD ASP 76 11.690 9.296 4.722 472 H ALA 77 H ALA 77 6.312 8.102 3.681 473 HA ALA 77 HA ALA 77 5.235 5.467 3.195 474 HB1 ALA 77 HB1 ALA 77 4.047 6.427 4.886 475 HB2 ALA 77 HB2 ALA 77 4.169 8.050 4.203 476 HB3 ALA 77 HB3 ALA 77 3.030 6.888 3.521 477 H MET 78 H MET 78 5.492 8.505 1.494 478 HA MET 78 HA MET 78 3.517 8.185 -0.440 479 HB2 MET 78 HB1 MET 78 5.974 9.768 -0.135 480 HB3 MET 78 HB2 MET 78 5.528 9.442 -1.817 481 HG2 MET 78 HG1 MET 78 3.331 10.417 -1.470 482 HG3 MET 78 HG2 MET 78 3.705 10.671 0.237 483 HE1 MET 78 HE1 MET 78 5.181 13.029 -3.366 484 HE2 MET 78 HE2 MET 78 6.120 11.573 -3.033 485 HE3 MET 78 HE3 MET 78 4.387 11.453 -3.344 486 H CYS 79 H CYS 79 6.673 6.721 -0.155 487 HA CYS 79 HA CYS 79 6.515 5.579 -2.832 488 HB2 CYS 79 HB1 CYS 79 8.616 6.077 -0.869 489 HB3 CYS 79 HB2 CYS 79 8.716 4.456 -1.560 490 H CYS 80 H CYS 80 6.327 3.397 -3.270 491 HA CYS 80 HA CYS 80 4.643 1.865 -1.703 492 HB2 CYS 80 HB1 CYS 80 6.350 1.417 -4.054 493 HB3 CYS 80 HB2 CYS 80 6.046 -0.039 -3.103 494 HA PRO 81 HA PRO 81 7.006 -0.014 1.478 495 HB2 PRO 81 HB1 PRO 81 5.991 -2.555 1.551 496 HB3 PRO 81 HB2 PRO 81 5.101 -1.137 2.102 497 HG2 PRO 81 HG1 PRO 81 4.965 -2.560 -0.535 498 HG3 PRO 81 HG2 PRO 81 3.622 -1.966 0.510 499 HD2 PRO 81 HD1 PRO 81 4.462 -0.627 -1.698 500 HD3 PRO 81 HD2 PRO 81 3.855 0.197 -0.252 501 H GLY 82 H GLY 82 8.854 -1.192 1.849 502 HA2 GLY 82 HA2 GLY 82 10.340 -3.022 1.353 503 HA3 GLY 82 HA3 GLY 82 9.785 -2.964 -0.314 504 HA1 GLY 82 HA1 GLY 82 10.343 -2.170 1.579 505 H THR 83 H THR 83 9.989 0.087 -0.066 506 HA THR 83 HA THR 83 12.907 0.234 -0.465 507 HB THR 83 HB THR 83 12.403 2.154 -2.026 508 HG1 THR 83 HG1 THR 83 10.268 2.591 -1.435 509 HG21 THR 83 HG21 THR 83 13.007 0.342 -3.265 510 HG22 THR 83 HG22 THR 83 11.322 0.448 -3.778 511 HG23 THR 83 HG23 THR 83 11.795 -0.704 -2.528 512 H LEU 84 H LEU 84 13.692 2.593 -0.314 513 HA LEU 84 HA LEU 84 12.330 3.964 1.907 514 HB2 LEU 84 HB1 LEU 84 14.983 2.801 1.822 515 HB3 LEU 84 HB2 LEU 84 15.045 4.540 2.161 516 HG LEU 84 HG LEU 84 15.032 3.128 4.196 517 HD11 LEU 84 HD11 LEU 84 13.820 5.495 3.785 518 HD12 LEU 84 HD12 LEU 84 13.906 4.697 5.354 519 HD13 LEU 84 HD13 LEU 84 12.455 4.543 4.365 520 HD21 LEU 84 HD21 LEU 84 13.327 1.710 4.761 521 HD22 LEU 84 HD22 LEU 84 13.336 1.504 3.009 522 HD23 LEU 84 HD23 LEU 84 12.141 2.558 3.768 523 H CYS 85 H CYS 85 12.945 6.258 2.124 524 HA CYS 85 HA CYS 85 13.170 7.473 -0.522 525 HB2 CYS 85 HB1 CYS 85 12.023 8.265 2.094 526 HB3 CYS 85 HB2 CYS 85 12.723 9.567 1.133 527 H VAL 86 H VAL 86 15.300 7.530 -1.058 528 HA VAL 86 HA VAL 86 17.132 8.858 0.831 529 HB VAL 86 HB VAL 86 17.845 7.025 -1.462 530 HG11 VAL 86 HG11 VAL 86 19.919 7.329 0.461 531 HG12 VAL 86 HG12 VAL 86 19.924 7.769 -1.248 532 HG13 VAL 86 HG13 VAL 86 19.380 8.932 -0.039 533 HG21 VAL 86 HG21 VAL 86 16.835 5.681 0.199 534 HG22 VAL 86 HG22 VAL 86 18.575 5.504 0.425 535 HG23 VAL 86 HG23 VAL 86 17.649 6.549 1.502 536 H ASN 87 H ASN 87 17.963 10.771 0.289 537 HA ASN 87 HA ASN 87 18.343 12.696 -0.865 538 HB2 ASN 87 HB1 ASN 87 18.813 10.727 -3.123 539 HB3 ASN 87 HB2 ASN 87 19.294 12.428 -3.141 540 HD21 ASN 87 HD21 ASN 87 20.996 10.140 -3.399 541 HD22 ASN 87 HD22 ASN 87 22.121 10.197 -2.089 542 H ASP 88 H ASP 88 15.635 11.929 -0.649 543 HA ASP 88 HA ASP 88 13.580 12.532 -1.418 544 HB2 ASP 88 HB1 ASP 88 14.976 14.192 -3.522 545 HB3 ASP 88 HB2 ASP 88 13.390 14.463 -2.788 546 HD2 ASP 88 HD ASP 88 14.803 15.893 0.069 547 H VAL 89 H VAL 89 15.075 10.261 -2.586 548 HA VAL 89 HA VAL 89 13.371 9.897 -4.938 549 HB VAL 89 HB VAL 89 16.333 9.297 -4.929 550 HG11 VAL 89 HG11 VAL 89 15.971 8.605 -7.265 551 HG12 VAL 89 HG12 VAL 89 15.098 7.584 -6.120 552 HG13 VAL 89 HG13 VAL 89 14.235 8.816 -7.042 553 HG21 VAL 89 HG21 VAL 89 14.688 11.500 -6.046 554 HG22 VAL 89 HG22 VAL 89 16.331 11.526 -5.407 555 HG23 VAL 89 HG23 VAL 89 16.025 10.897 -7.025 556 H CYS 90 H CYS 90 12.666 7.818 -5.255 557 HA CYS 90 HA CYS 90 12.665 6.081 -3.027 558 HB2 CYS 90 HB1 CYS 90 11.167 6.357 -5.336 559 HB3 CYS 90 HB2 CYS 90 11.997 4.818 -5.581 560 H THR 91 H THR 91 14.439 5.061 -2.362 561 HA THR 91 HA THR 91 16.056 3.639 -4.377 562 HB THR 91 HB THR 91 17.076 4.843 -1.798 563 HG1 THR 91 HG1 THR 91 17.253 5.687 -4.509 564 HG21 THR 91 HG21 THR 91 19.297 4.361 -3.092 565 HG22 THR 91 HG22 THR 91 18.315 3.171 -3.944 566 HG23 THR 91 HG23 THR 91 18.503 3.068 -2.194 567 H THR 92 H THR 92 16.329 1.515 -4.075 568 HA THR 92 HA THR 92 14.828 0.050 -2.257 569 HB THR 92 HB THR 92 17.031 -1.575 -2.833 570 HG1 THR 92 HG1 THR 92 17.111 -1.131 -5.195 571 HG21 THR 92 HG21 THR 92 14.445 -1.876 -3.018 572 HG22 THR 92 HG22 THR 92 15.510 -2.806 -4.072 573 HG23 THR 92 HG23 THR 92 14.693 -1.371 -4.688 574 H MET 93 H MET 93 15.112 -0.642 -0.215 575 HA MET 93 HA MET 93 16.879 0.580 1.527 576 HB2 MET 93 HB1 MET 93 14.773 -1.195 1.750 577 HB3 MET 93 HB2 MET 93 16.151 -2.124 2.362 578 HG2 MET 93 HG1 MET 93 16.382 0.410 3.538 579 HG3 MET 93 HG2 MET 93 14.670 -0.010 3.619 580 HE1 MET 93 HE1 MET 93 16.626 -0.802 7.105 581 HE2 MET 93 HE2 MET 93 16.928 0.454 5.904 582 HE3 MET 93 HE3 MET 93 15.286 0.156 6.474 583 H GLU 94 H GLU 94 17.295 -2.301 -0.409 584 HA GLU 94 HA GLU 94 19.556 -3.359 0.895 585 HB2 GLU 94 HB1 GLU 94 18.271 -3.680 -1.768 586 HB3 GLU 94 HB2 GLU 94 19.957 -4.201 -1.618 587 HG2 GLU 94 HG1 GLU 94 19.268 -6.119 -0.765 588 HG3 GLU 94 HG2 GLU 94 18.615 -5.233 0.620 589 HE2 GLU 94 HE GLU 94 15.369 -5.668 -0.439 590 H ASP 95 H ASP 95 19.175 -0.849 -1.518 591 HA ASP 95 HA ASP 95 21.997 -0.645 -2.063 592 HB2 ASP 95 HB1 ASP 95 19.526 0.497 -3.108 593 HB3 ASP 95 HB2 ASP 95 20.805 1.710 -2.944 594 HD2 ASP 95 HD ASP 95 21.187 -1.076 -5.708 595 H ALA 96 H ALA 96 19.687 0.862 0.072 596 HA ALA 96 HA ALA 96 21.256 3.121 0.774 597 HB1 ALA 96 HB1 ALA 96 19.655 2.700 2.948 598 HB2 ALA 96 HB2 ALA 96 19.192 3.596 1.500 599 HB3 ALA 96 HB3 ALA 96 18.756 1.895 1.662 600 H THR 97 H THR 97 22.853 3.362 2.219 601 HA THR 97 HA THR 97 24.453 2.874 3.765 602 HB THR 97 HB THR 97 22.588 0.743 4.811 603 HG1 THR 97 HG1 THR 97 21.374 2.578 4.863 604 HG21 THR 97 HG21 THR 97 24.896 0.745 5.698 605 HG22 THR 97 HG22 THR 97 23.701 1.152 6.930 606 HG23 THR 97 HG23 THR 97 24.681 2.422 6.198 607 H GLU 98 H GLU 98 25.501 2.011 1.734 608 HA GLU 98 HA GLU 98 25.598 -0.749 1.186 609 HB2 GLU 98 HB1 GLU 98 26.380 1.259 -0.247 610 HB3 GLU 98 HB2 GLU 98 27.897 1.112 0.657 611 HG2 GLU 98 HG1 GLU 98 26.909 -1.414 -0.463 612 HG3 GLU 98 HG2 GLU 98 27.330 -0.183 -1.662 613 HE2 GLU 98 HE GLU 98 30.555 -1.312 -1.318 614 H ASN 99 H ASN 99 26.282 -2.277 2.524 615 HA ASN 99 HA ASN 99 28.531 -1.676 4.326 616 HB2 ASN 99 HB1 ASN 99 26.443 -2.252 5.483 617 HB3 ASN 99 HB2 ASN 99 26.372 -3.780 4.597 618 HD21 ASN 99 HD21 ASN 99 28.150 -1.963 7.001 619 HD22 ASN 99 HD22 ASN 99 28.916 -3.323 7.740 620 H LEU 100 H LEU 100 30.232 -3.138 4.523 621 HA LEU 100 HA LEU 100 30.364 -5.645 3.254 622 HB2 LEU 100 HB1 LEU 100 30.902 -3.334 1.583 623 HB3 LEU 100 HB2 LEU 100 32.305 -4.410 1.690 624 HG LEU 100 HG LEU 100 29.788 -5.803 1.138 625 HD11 LEU 100 HD11 LEU 100 30.814 -3.675 -0.715 626 HD12 LEU 100 HD12 LEU 100 29.164 -3.950 -0.156 627 HD13 LEU 100 HD13 LEU 100 29.906 -5.072 -1.298 628 HD21 LEU 100 HD21 LEU 100 32.065 -5.929 -0.715 629 HD22 LEU 100 HD22 LEU 100 31.162 -7.225 0.070 630 HD23 LEU 100 HD23 LEU 100 32.430 -6.371 0.953 631 H TYR 101 H TYR 101 32.317 -6.719 3.655 632 HA TYR 101 HA TYR 101 34.364 -5.215 5.129 633 HB2 TYR 101 HB1 TYR 101 32.594 -6.585 6.542 634 HB3 TYR 101 HB2 TYR 101 33.622 -7.946 6.089 635 HD1 TYR 101 HD1 TYR 101 34.039 -4.474 7.421 636 HD2 TYR 101 HD2 TYR 101 35.306 -8.533 7.546 637 HE1 TYR 101 HE1 TYR 101 35.602 -3.923 9.238 638 HE2 TYR 101 HE2 TYR 101 36.872 -7.994 9.365 639 HH TYR 101 HH TYR 101 37.289 -4.668 10.504 640 H PHE 102 H PHE 102 36.416 -6.406 5.331 641 HA PHE 102 HA PHE 102 36.801 -8.519 3.344 642 HB2 PHE 102 HB1 PHE 102 38.657 -7.427 2.291 643 HB3 PHE 102 HB2 PHE 102 37.292 -6.312 2.267 644 HD1 PHE 102 HD1 PHE 102 40.691 -6.755 3.225 645 HD2 PHE 102 HD2 PHE 102 37.173 -4.515 4.072 646 HE1 PHE 102 HE1 PHE 102 42.059 -5.028 4.320 647 HE2 PHE 102 HE2 PHE 102 38.535 -2.784 5.168 648 HZ PHE 102 HZ PHE 102 40.982 -3.038 5.293 649 H GLN 103 H GLN 103 39.252 -9.208 3.454 650 HA GLN 103 HA GLN 103 40.869 -10.248 4.669 651 HB2 GLN 103 HB1 GLN 103 41.015 -7.694 5.403 652 HB3 GLN 103 HB2 GLN 103 40.529 -8.380 6.962 653 HG2 GLN 103 HG1 GLN 103 42.520 -10.084 6.266 654 HG3 GLN 103 HG2 GLN 103 43.080 -8.577 5.527 655 HE21 GLN 103 HE21 GLN 103 44.027 -7.099 6.771 656 HE22 GLN 103 HE22 GLN 103 44.110 -7.150 8.496 657 H SER 104 H SER 104 38.211 -11.195 4.931 658 HA SER 104 HA SER 104 37.422 -11.666 7.582 659 HB2 SER 104 HB1 SER 104 36.497 -12.353 5.010 660 HB3 SER 104 HB2 SER 104 36.732 -13.887 5.868 661 HG SER 104 HG SER 104 34.636 -12.932 6.193 662 H LEU 105 H LEU 105 38.177 -12.972 9.116 663 HA LEU 105 HA LEU 105 40.568 -14.444 8.755 664 HB2 LEU 105 HB1 LEU 105 38.853 -13.656 10.924 665 HB3 LEU 105 HB2 LEU 105 39.295 -15.364 11.087 666 HG LEU 105 HG LEU 105 41.416 -13.303 10.620 667 HD11 LEU 105 HD11 LEU 105 41.303 -13.845 13.371 668 HD12 LEU 105 HD12 LEU 105 39.668 -13.395 12.889 669 HD13 LEU 105 HD13 LEU 105 41.015 -12.306 12.558 670 HD21 LEU 105 HD21 LEU 105 41.253 -16.071 11.754 671 HD22 LEU 105 HD22 LEU 105 42.610 -15.011 12.137 672 HD23 LEU 105 HD23 LEU 105 42.282 -15.455 10.462 673 H GLU 106 H GLU 106 40.697 -16.796 9.557 674 HA GLU 106 HA GLU 106 38.456 -18.497 9.078 675 HB2 GLU 106 HB1 GLU 106 39.408 -19.679 7.113 676 HB3 GLU 106 HB2 GLU 106 38.919 -18.014 6.760 677 HG2 GLU 106 HG1 GLU 106 41.533 -17.670 7.447 678 HG3 GLU 106 HG2 GLU 106 41.565 -19.259 6.669 679 HE2 GLU 106 HE GLU 106 40.289 -17.707 3.662 680 H HIS 107 H HIS 107 39.880 -18.415 11.294 681 HA HIS 107 HA HIS 107 42.139 -20.179 11.291 682 HB2 HIS 107 HB1 HIS 107 41.213 -18.274 13.016 683 HB3 HIS 107 HB2 HIS 107 40.726 -19.756 13.844 684 HD1 HIS 107 HD1 HIS 107 43.671 -17.672 13.121 685 HD2 HIS 107 HD2 HIS 107 42.903 -21.495 14.555 686 HE1 HIS 107 HE1 HIS 107 45.825 -18.444 14.162 687 HE2 HIS 107 HE2 HIS 107 45.358 -20.782 15.038 688 H HIS 108 H HIS 108 42.147 -22.326 11.383 689 HA HIS 108 HA HIS 108 40.257 -23.864 12.829 690 HB2 HIS 108 HB1 HIS 108 39.223 -23.068 10.446 691 HB3 HIS 108 HB2 HIS 108 39.998 -24.584 9.974 692 HD1 HIS 108 HD1 HIS 108 39.279 -26.723 11.541 693 HD2 HIS 108 HD2 HIS 108 36.746 -23.430 11.516 694 HE1 HIS 108 HE1 HIS 108 37.073 -27.566 12.406 695 HE2 HIS 108 HE2 HIS 108 35.523 -25.554 12.392 696 H HIS 109 H HIS 109 41.225 -25.702 13.405 697 HA HIS 109 HA HIS 109 43.711 -26.437 12.068 698 HB2 HIS 109 HB1 HIS 109 42.458 -27.433 14.641 699 HB3 HIS 109 HB2 HIS 109 44.035 -27.937 14.023 700 HD1 HIS 109 HD1 HIS 109 43.496 -26.385 16.762 701 HD2 HIS 109 HD2 HIS 109 44.934 -24.746 13.224 702 HE1 HIS 109 HE1 HIS 109 44.744 -24.310 17.440 703 HE2 HIS 109 HE2 HIS 109 45.622 -23.308 15.280 704 H HIS 110 H HIS 110 44.044 -29.014 12.297 705 HA HIS 110 HA HIS 110 41.784 -30.206 10.831 706 HB2 HIS 110 HB1 HIS 110 44.734 -30.883 10.701 707 HB3 HIS 110 HB2 HIS 110 43.460 -31.718 9.807 708 HD1 HIS 110 HD1 HIS 110 45.468 -28.584 9.802 709 HD2 HIS 110 HD2 HIS 110 42.376 -30.301 7.623 710 HE1 HIS 110 HE1 HIS 110 45.276 -27.205 7.708 711 HE2 HIS 110 HE2 HIS 110 43.387 -28.255 6.375 712 H HIS 111 H HIS 111 44.253 -30.793 13.286 713 HA HIS 111 HA HIS 111 42.683 -33.113 14.202 714 HB2 HIS 111 HB1 HIS 111 45.422 -32.965 13.474 715 HB3 HIS 111 HB2 HIS 111 45.361 -33.184 15.226 716 HD1 HIS 111 HD1 HIS 111 43.754 -34.808 12.177 717 HD2 HIS 111 HD2 HIS 111 45.173 -35.774 15.961 718 HE1 HIS 111 HE1 HIS 111 43.516 -37.305 12.369 719 HE2 HIS 111 HE2 HIS 111 44.384 -37.896 14.679 720 H HIS 112 H HIS 112 42.754 -33.521 16.528 721 HA HIS 112 HA HIS 112 42.373 -31.085 18.003 722 HB2 HIS 112 HB1 HIS 112 41.543 -33.799 18.225 723 HB3 HIS 112 HB2 HIS 112 42.379 -33.370 19.721 724 HD1 HIS 112 HD1 HIS 112 39.699 -31.758 17.542 725 HD2 HIS 112 HD2 HIS 112 40.713 -32.279 21.536 726 HE1 HIS 112 HE1 HIS 112 37.845 -30.677 18.852 727 HE2 HIS 112 HE2 HIS 112 38.464 -30.993 21.293 Start of MODEL 34 1 H1 MET 18 H MET 18 25.096 -27.553 7.344 2 HA MET 18 HA MET 18 24.674 -28.657 5.376 3 HB2 MET 18 HB1 MET 18 22.265 -27.571 6.522 4 HB3 MET 18 HB2 MET 18 22.107 -27.661 4.763 5 HG2 MET 18 HG1 MET 18 21.802 -29.858 4.820 6 HG3 MET 18 HG2 MET 18 23.278 -30.079 5.765 7 HE1 MET 18 HE1 MET 18 23.159 -31.435 7.656 8 HE2 MET 18 HE2 MET 18 21.723 -31.825 8.602 9 HE3 MET 18 HE3 MET 18 21.811 -32.285 6.901 10 H LEU 19 H LEU 19 24.350 -28.531 3.078 11 HA LEU 19 HA LEU 19 25.304 -26.024 1.995 12 HB2 LEU 19 HB1 LEU 19 26.012 -28.452 1.362 13 HB3 LEU 19 HB2 LEU 19 24.565 -28.402 0.340 14 HG LEU 19 HG LEU 19 25.946 -26.065 -0.288 15 HD11 LEU 19 HD11 LEU 19 27.838 -27.360 0.976 16 HD12 LEU 19 HD12 LEU 19 28.178 -26.523 -0.538 17 HD13 LEU 19 HD13 LEU 19 27.936 -28.270 -0.532 18 HD21 LEU 19 HD21 LEU 19 25.338 -28.666 -1.557 19 HD22 LEU 19 HD22 LEU 19 26.579 -27.679 -2.326 20 HD23 LEU 19 HD23 LEU 19 24.958 -27.027 -2.085 21 H VAL 20 H VAL 20 22.400 -28.018 1.826 22 HA VAL 20 HA VAL 20 21.108 -26.045 0.091 23 HB VAL 20 HB VAL 20 20.897 -28.462 -0.461 24 HG11 VAL 20 HG11 VAL 20 18.897 -28.866 1.678 25 HG12 VAL 20 HG12 VAL 20 20.009 -30.014 0.931 26 HG13 VAL 20 HG13 VAL 20 20.591 -28.896 2.166 27 HG21 VAL 20 HG21 VAL 20 18.815 -28.181 -1.325 28 HG22 VAL 20 HG22 VAL 20 18.134 -27.622 0.202 29 HG23 VAL 20 HG23 VAL 20 19.094 -26.523 -0.789 30 H LEU 21 H LEU 21 19.249 -24.938 0.670 31 HA LEU 21 HA LEU 21 18.995 -24.249 3.409 32 HB2 LEU 21 HB1 LEU 21 18.169 -23.203 0.944 33 HB3 LEU 21 HB2 LEU 21 16.679 -23.538 1.845 34 HG LEU 21 HG LEU 21 17.447 -21.223 2.127 35 HD11 LEU 21 HD11 LEU 21 17.280 -21.140 4.544 36 HD12 LEU 21 HD12 LEU 21 17.658 -22.859 4.650 37 HD13 LEU 21 HD13 LEU 21 16.155 -22.332 3.894 38 HD21 LEU 21 HD21 LEU 21 19.495 -20.621 2.973 39 HD22 LEU 21 HD22 LEU 21 19.932 -22.043 2.025 40 HD23 LEU 21 HD23 LEU 21 19.744 -22.172 3.774 41 H ASP 22 H ASP 22 17.892 -25.230 4.960 42 HA ASP 22 HA ASP 22 16.237 -27.501 4.394 43 HB2 ASP 22 HB1 ASP 22 17.786 -26.905 6.484 44 HB3 ASP 22 HB2 ASP 22 16.259 -26.262 7.103 45 HD2 ASP 22 HD ASP 22 14.908 -29.422 7.514 46 H PHE 23 H PHE 23 15.713 -24.134 5.091 47 HA PHE 23 HA PHE 23 12.882 -24.496 5.603 48 HB2 PHE 23 HB1 PHE 23 14.850 -22.371 5.945 49 HB3 PHE 23 HB2 PHE 23 13.342 -21.773 5.246 50 HD1 PHE 23 HD1 PHE 23 14.742 -23.606 8.134 51 HD2 PHE 23 HD2 PHE 23 11.401 -21.506 6.541 52 HE1 PHE 23 HE1 PHE 23 13.695 -23.589 10.360 53 HE2 PHE 23 HE2 PHE 23 10.348 -21.485 8.764 54 HZ PHE 23 HZ PHE 23 11.496 -22.528 10.679 55 H ASN 24 H ASN 24 11.230 -23.466 4.329 56 HA ASN 24 HA ASN 24 11.991 -23.070 1.511 57 HB2 ASN 24 HB1 ASN 24 9.336 -24.239 2.319 58 HB3 ASN 24 HB2 ASN 24 10.150 -24.315 0.751 59 HD21 ASN 24 HD21 ASN 24 9.094 -26.403 2.615 60 HD22 ASN 24 HD22 ASN 24 10.409 -27.505 2.825 61 H ASN 25 H ASN 25 10.979 -21.434 0.404 62 HA ASN 25 HA ASN 25 9.813 -19.352 1.998 63 HB2 ASN 25 HB1 ASN 25 10.701 -19.667 -0.829 64 HB3 ASN 25 HB2 ASN 25 9.504 -18.409 -0.490 65 HD21 ASN 25 HD21 ASN 25 10.170 -16.523 0.289 66 HD22 ASN 25 HD22 ASN 25 11.768 -16.183 0.851 67 H ILE 26 H ILE 26 7.768 -19.512 2.650 68 HA ILE 26 HA ILE 26 5.785 -20.777 0.913 69 HB ILE 26 HB ILE 26 4.301 -20.756 2.842 70 HG12 ILE 26 HG11 ILE 26 5.834 -20.092 5.029 71 HG13 ILE 26 HG12 ILE 26 6.302 -18.859 3.845 72 HG21 ILE 26 HG21 ILE 26 5.988 -22.571 2.525 73 HG22 ILE 26 HG22 ILE 26 7.019 -21.739 3.688 74 HG23 ILE 26 HG23 ILE 26 5.446 -22.360 4.190 75 HD11 ILE 26 HD11 ILE 26 3.410 -19.351 4.136 76 HD12 ILE 26 HD12 ILE 26 4.226 -18.569 5.489 77 HD13 ILE 26 HD13 ILE 26 4.289 -17.845 3.882 78 H ARG 27 H ARG 27 3.746 -19.766 0.492 79 HA ARG 27 HA ARG 27 4.015 -16.896 0.090 80 HB2 ARG 27 HB1 ARG 27 2.320 -19.066 -1.039 81 HB3 ARG 27 HB2 ARG 27 1.643 -17.432 -1.023 82 HG2 ARG 27 HG1 ARG 27 2.636 -17.362 -3.059 83 HG3 ARG 27 HG2 ARG 27 4.011 -16.849 -2.068 84 HD2 ARG 27 HD1 ARG 27 5.186 -18.561 -2.877 85 HD3 ARG 27 HD2 ARG 27 4.065 -19.652 -2.052 86 HE ARG 27 HE ARG 27 3.084 -20.132 -4.068 87 HH11 ARG 27 HH11 ARG 27 5.108 -17.319 -4.405 88 HH12 ARG 27 HH12 ARG 27 4.977 -17.272 -6.133 89 HH21 ARG 27 HH21 ARG 27 2.904 -20.079 -6.342 90 HH22 ARG 27 HH22 ARG 27 3.722 -18.841 -7.233 91 H SER 28 H SER 28 2.144 -15.478 0.528 92 HA SER 28 HA SER 28 0.598 -16.341 2.878 93 HB2 SER 28 HB1 SER 28 2.687 -14.663 3.143 94 HB3 SER 28 HB2 SER 28 1.421 -13.490 2.741 95 HG SER 28 HG SER 28 1.099 -15.446 4.762 96 H SER 29 H SER 29 -1.495 -15.643 2.990 97 HA SER 29 HA SER 29 -2.545 -14.397 0.560 98 HB2 SER 29 HB1 SER 29 -4.022 -15.766 2.831 99 HB3 SER 29 HB2 SER 29 -4.729 -15.220 1.301 100 HG SER 29 HG SER 29 -4.212 -17.123 0.592 101 H ALA 30 H ALA 30 -4.485 -12.929 0.907 102 HA ALA 30 HA ALA 30 -4.316 -11.314 3.332 103 HB1 ALA 30 HB1 ALA 30 -4.406 -9.643 0.939 104 HB2 ALA 30 HB2 ALA 30 -3.455 -9.466 2.414 105 HB3 ALA 30 HB3 ALA 30 -2.894 -10.534 1.127 106 H ASP 31 H ASP 31 -6.391 -11.820 3.907 107 HA ASP 31 HA ASP 31 -8.572 -11.721 2.048 108 HB2 ASP 31 HB1 ASP 31 -8.481 -11.939 5.068 109 HB3 ASP 31 HB2 ASP 31 -9.972 -12.004 4.119 110 HD2 ASP 31 HD ASP 31 -9.331 -15.231 3.033 111 H LEU 32 H LEU 32 -9.668 -9.990 1.420 112 HA LEU 32 HA LEU 32 -9.292 -7.477 2.878 113 HB2 LEU 32 HB1 LEU 32 -10.442 -7.975 0.126 114 HB3 LEU 32 HB2 LEU 32 -10.133 -6.393 0.860 115 HG LEU 32 HG LEU 32 -7.967 -8.399 0.251 116 HD11 LEU 32 HD11 LEU 32 -8.694 -5.970 -1.368 117 HD12 LEU 32 HD12 LEU 32 -9.206 -7.606 -1.779 118 HD13 LEU 32 HD13 LEU 32 -7.490 -7.203 -1.743 119 HD21 LEU 32 HD21 LEU 32 -6.825 -5.948 0.262 120 HD22 LEU 32 HD22 LEU 32 -6.888 -7.018 1.662 121 HD23 LEU 32 HD23 LEU 32 -8.081 -5.730 1.481 122 H HIS 33 H HIS 33 -11.240 -5.978 2.837 123 HA HIS 33 HA HIS 33 -13.853 -7.102 2.749 124 HB2 HIS 33 HB1 HIS 33 -13.052 -8.124 4.851 125 HB3 HIS 33 HB2 HIS 33 -12.723 -6.513 5.494 126 HD1 HIS 33 HD1 HIS 33 -15.859 -7.511 3.626 127 HD2 HIS 33 HD2 HIS 33 -14.645 -6.391 7.438 128 HE1 HIS 33 HE1 HIS 33 -17.978 -7.215 4.946 129 HE2 HIS 33 HE2 HIS 33 -17.238 -6.531 7.276 130 H GLY 34 H GLY 34 -15.439 -5.538 2.785 131 HA2 GLY 34 HA2 GLY 34 -16.371 -3.427 2.886 132 HA3 GLY 34 HA3 GLY 34 -14.958 -2.893 3.786 133 HA1 GLY 34 HA1 GLY 34 -16.008 -3.880 2.222 134 H ALA 35 H ALA 35 -13.737 -1.435 2.807 135 HA ALA 35 HA ALA 35 -12.815 -0.110 1.201 136 HB1 ALA 35 HB1 ALA 35 -11.529 -1.913 0.474 137 HB2 ALA 35 HB2 ALA 35 -12.923 -2.761 -0.196 138 HB3 ALA 35 HB3 ALA 35 -12.291 -1.324 -1.003 139 H ARG 36 H ARG 36 -15.655 -0.024 1.504 140 HA ARG 36 HA ARG 36 -16.432 0.754 -1.230 141 HB2 ARG 36 HB1 ARG 36 -18.370 -0.186 0.885 142 HB3 ARG 36 HB2 ARG 36 -18.666 0.040 -0.845 143 HG2 ARG 36 HG1 ARG 36 -16.839 -1.800 -1.133 144 HG3 ARG 36 HG2 ARG 36 -17.246 -2.179 0.550 145 HD2 ARG 36 HD1 ARG 36 -19.713 -2.136 -0.306 146 HD3 ARG 36 HD2 ARG 36 -18.962 -2.349 -1.894 147 HE ARG 36 HE ARG 36 -18.018 -4.234 0.050 148 HH11 ARG 36 HH11 ARG 36 -20.545 -3.532 -2.241 149 HH12 ARG 36 HH12 ARG 36 -20.980 -5.193 -2.466 150 HH21 ARG 36 HH21 ARG 36 -18.584 -6.425 -0.238 151 HH22 ARG 36 HH22 ARG 36 -19.866 -6.838 -1.326 152 H LYS 37 H LYS 37 -16.163 2.912 -1.182 153 HA LYS 37 HA LYS 37 -17.878 4.440 0.596 154 HB2 LYS 37 HB1 LYS 37 -16.050 5.976 1.259 155 HB3 LYS 37 HB2 LYS 37 -15.839 4.335 1.896 156 HG2 LYS 37 HG1 LYS 37 -14.531 4.563 -0.653 157 HG3 LYS 37 HG2 LYS 37 -13.998 5.858 0.435 158 HD2 LYS 37 HD1 LYS 37 -14.182 3.140 1.610 159 HD3 LYS 37 HD2 LYS 37 -12.898 3.410 0.417 160 HE2 LYS 37 HE1 LYS 37 -11.740 4.828 1.764 161 HE3 LYS 37 HE2 LYS 37 -13.212 5.500 2.479 162 HZ1 LYS 37 HZ1 LYS 37 -11.599 3.256 3.348 163 HZ2 LYS 37 HZ2 LYS 37 -13.270 3.012 3.441 164 HZ3 LYS 37 HZ3 LYS 37 -12.561 4.315 4.253 165 H GLY 38 H GLY 38 -17.419 6.930 0.048 166 HA2 GLY 38 HA2 GLY 38 -18.048 7.175 -2.742 167 HA3 GLY 38 HA3 GLY 38 -17.939 8.487 -1.577 168 HA1 GLY 38 HA1 GLY 38 -17.319 6.710 -2.565 169 H SER 39 H SER 39 -15.652 9.027 -0.874 170 HA SER 39 HA SER 39 -14.166 9.843 -3.086 171 HB2 SER 39 HB1 SER 39 -14.065 10.224 -0.305 172 HB3 SER 39 HB2 SER 39 -12.485 9.550 -0.746 173 HG SER 39 HG SER 39 -12.700 11.243 -2.545 174 H GLN 40 H GLN 40 -12.106 9.186 -3.865 175 HA GLN 40 HA GLN 40 -11.842 6.473 -4.400 176 HB2 GLN 40 HB1 GLN 40 -10.666 8.731 -5.338 177 HB3 GLN 40 HB2 GLN 40 -9.336 8.035 -4.401 178 HG2 GLN 40 HG1 GLN 40 -8.932 6.470 -5.925 179 HG3 GLN 40 HG2 GLN 40 -10.646 6.048 -6.046 180 HE21 GLN 40 HE21 GLN 40 -8.049 7.332 -7.658 181 HE22 GLN 40 HE22 GLN 40 -8.885 8.106 -8.957 182 H CYS 41 H CYS 41 -9.904 8.446 -2.149 183 HA CYS 41 HA CYS 41 -9.710 6.255 -0.295 184 HB2 CYS 41 HB1 CYS 41 -7.226 6.196 -0.294 185 HB3 CYS 41 HB2 CYS 41 -7.937 5.583 -1.788 186 H LEU 42 H LEU 42 -9.044 6.899 1.757 187 HA LEU 42 HA LEU 42 -8.964 9.804 2.139 188 HB2 LEU 42 HB1 LEU 42 -10.338 7.719 3.435 189 HB3 LEU 42 HB2 LEU 42 -9.118 8.301 4.582 190 HG LEU 42 HG LEU 42 -10.963 10.226 3.212 191 HD11 LEU 42 HD11 LEU 42 -11.659 9.178 5.902 192 HD12 LEU 42 HD12 LEU 42 -12.088 8.206 4.494 193 HD13 LEU 42 HD13 LEU 42 -12.694 9.855 4.645 194 HD21 LEU 42 HD21 LEU 42 -9.122 11.217 4.370 195 HD22 LEU 42 HD22 LEU 42 -9.412 10.220 5.796 196 HD23 LEU 42 HD23 LEU 42 -10.573 11.469 5.342 197 H SER 43 H SER 43 -7.090 6.918 2.535 198 HA SER 43 HA SER 43 -4.775 8.511 3.256 199 HB2 SER 43 HB1 SER 43 -6.018 7.696 5.394 200 HB3 SER 43 HB2 SER 43 -5.357 6.107 4.966 201 HG SER 43 HG SER 43 -4.084 7.637 6.397 202 H ASP 44 H ASP 44 -2.823 6.892 3.544 203 HA ASP 44 HA ASP 44 -2.512 5.576 1.065 204 HB2 ASP 44 HB1 ASP 44 -0.837 6.422 3.141 205 HB3 ASP 44 HB2 ASP 44 -0.628 4.666 3.074 206 HD2 ASP 44 HD ASP 44 1.244 6.727 0.448 207 H THR 45 H THR 45 -3.625 4.520 4.169 208 HA THR 45 HA THR 45 -3.207 1.725 3.760 209 HB THR 45 HB THR 45 -5.120 1.679 5.609 210 HG1 THR 45 HG1 THR 45 -5.426 3.575 6.595 211 HG21 THR 45 HG21 THR 45 -2.743 1.025 5.889 212 HG22 THR 45 HG22 THR 45 -3.403 1.844 7.305 213 HG23 THR 45 HG23 THR 45 -2.345 2.715 6.195 214 H ASP 46 H ASP 46 -5.666 3.988 2.852 215 HA ASP 46 HA ASP 46 -7.777 2.137 2.434 216 HB2 ASP 46 HB1 ASP 46 -7.226 4.929 1.432 217 HB3 ASP 46 HB2 ASP 46 -8.646 4.017 0.903 218 HD2 ASP 46 HD ASP 46 -9.955 5.687 3.692 219 H CYS 47 H CYS 47 -5.010 3.090 0.573 220 HA CYS 47 HA CYS 47 -6.035 1.755 -1.821 221 HB2 CYS 47 HB1 CYS 47 -3.693 3.562 -1.271 222 HB3 CYS 47 HB2 CYS 47 -3.761 2.597 -2.747 223 H ASN 48 H ASN 48 -5.953 -0.398 -1.104 224 HA ASN 48 HA ASN 48 -3.668 -1.603 0.033 225 HB2 ASN 48 HB1 ASN 48 -5.841 -2.952 -1.592 226 HB3 ASN 48 HB2 ASN 48 -4.769 -3.718 -0.412 227 HD21 ASN 48 HD21 ASN 48 -5.295 -3.708 1.691 228 HD22 ASN 48 HD22 ASN 48 -6.700 -2.944 2.347 229 H THR 49 H THR 49 -4.714 -1.114 -3.281 230 HA THR 49 HA THR 49 -2.979 -2.862 -4.592 231 HB THR 49 HB THR 49 -3.276 -0.397 -6.078 232 HG1 THR 49 HG1 THR 49 -5.097 0.134 -5.034 233 HG21 THR 49 HG21 THR 49 -3.732 -1.845 -7.736 234 HG22 THR 49 HG22 THR 49 -4.962 -2.682 -6.789 235 HG23 THR 49 HG23 THR 49 -3.259 -3.089 -6.580 236 H ARG 50 H ARG 50 -1.297 -1.744 -6.246 237 HA ARG 50 HA ARG 50 0.841 -0.822 -4.540 238 HB2 ARG 50 HB1 ARG 50 0.908 -1.141 -7.544 239 HB3 ARG 50 HB2 ARG 50 2.275 -1.154 -6.419 240 HG2 ARG 50 HG1 ARG 50 0.103 -3.250 -6.529 241 HG3 ARG 50 HG2 ARG 50 1.714 -3.395 -7.253 242 HD2 ARG 50 HD1 ARG 50 2.303 -2.667 -4.668 243 HD3 ARG 50 HD2 ARG 50 0.876 -3.693 -4.469 244 HE ARG 50 HE ARG 50 2.173 -5.499 -4.968 245 HH11 ARG 50 HH11 ARG 50 3.724 -2.641 -6.213 246 HH12 ARG 50 HH12 ARG 50 5.151 -3.480 -6.725 247 HH21 ARG 50 HH21 ARG 50 4.046 -6.615 -5.638 248 HH22 ARG 50 HH22 ARG 50 5.332 -5.741 -6.398 249 H LYS 51 H LYS 51 -0.821 1.136 -4.262 250 HA LYS 51 HA LYS 51 0.425 3.345 -5.660 251 HB2 LYS 51 HB1 LYS 51 -2.456 2.584 -6.012 252 HB3 LYS 51 HB2 LYS 51 -1.987 4.292 -6.053 253 HG2 LYS 51 HG1 LYS 51 -1.608 4.010 -8.225 254 HG3 LYS 51 HG2 LYS 51 -0.166 3.098 -7.741 255 HD2 LYS 51 HD1 LYS 51 -1.085 1.434 -8.950 256 HD3 LYS 51 HD2 LYS 51 -2.081 1.188 -7.504 257 HE2 LYS 51 HE1 LYS 51 -3.380 3.221 -8.915 258 HE3 LYS 51 HE2 LYS 51 -2.853 2.070 -10.151 259 HZ1 LYS 51 HZ1 LYS 51 -4.784 1.083 -9.584 260 HZ2 LYS 51 HZ2 LYS 51 -4.811 1.737 -8.025 261 HZ3 LYS 51 HZ3 LYS 51 -3.841 0.392 -8.361 262 H PHE 52 H PHE 52 0.245 5.314 -4.570 263 HA PHE 52 HA PHE 52 -0.751 5.070 -1.818 264 HB2 PHE 52 HB1 PHE 52 0.820 6.743 -1.177 265 HB3 PHE 52 HB2 PHE 52 1.683 5.612 -2.219 266 HD1 PHE 52 HD1 PHE 52 2.474 6.248 -4.399 267 HD2 PHE 52 HD2 PHE 52 0.296 8.989 -1.978 268 HE1 PHE 52 HE1 PHE 52 3.174 8.095 -5.866 269 HE2 PHE 52 HE2 PHE 52 0.992 10.841 -3.441 270 HZ PHE 52 HZ PHE 52 2.432 10.394 -5.389 271 H CYS 53 H CYS 53 -2.016 6.692 -0.890 272 HA CYS 53 HA CYS 53 -3.807 8.000 -2.697 273 HB2 CYS 53 HB1 CYS 53 -4.258 7.012 -0.326 274 HB3 CYS 53 HB2 CYS 53 -3.691 8.583 0.246 275 H LEU 54 H LEU 54 -3.118 9.725 -3.799 276 HA LEU 54 HA LEU 54 -1.365 11.672 -2.508 277 HB2 LEU 54 HB1 LEU 54 -0.852 10.789 -4.785 278 HB3 LEU 54 HB2 LEU 54 -2.330 11.579 -5.362 279 HG LEU 54 HG LEU 54 -0.583 13.447 -3.994 280 HD11 LEU 54 HD11 LEU 54 1.380 12.660 -4.725 281 HD12 LEU 54 HD12 LEU 54 0.865 13.271 -6.297 282 HD13 LEU 54 HD13 LEU 54 0.623 11.572 -5.889 283 HD21 LEU 54 HD21 LEU 54 -1.053 13.792 -6.847 284 HD22 LEU 54 HD22 LEU 54 -1.484 14.836 -5.492 285 HD23 LEU 54 HD23 LEU 54 -2.531 13.486 -5.933 286 H GLN 55 H GLN 55 -2.123 13.483 -1.649 287 HA GLN 55 HA GLN 55 -4.835 14.354 -2.386 288 HB2 GLN 55 HB1 GLN 55 -4.792 13.829 -0.079 289 HB3 GLN 55 HB2 GLN 55 -3.245 14.659 0.154 290 HG2 GLN 55 HG1 GLN 55 -4.222 16.621 0.534 291 HG3 GLN 55 HG2 GLN 55 -5.294 16.438 -0.861 292 HE21 GLN 55 HE21 GLN 55 -4.841 15.155 2.413 293 HE22 GLN 55 HE22 GLN 55 -6.522 15.080 2.802 294 HA PRO 56 HA PRO 56 -2.193 17.608 -4.229 295 HB2 PRO 56 HB1 PRO 56 -3.945 18.183 -6.253 296 HB3 PRO 56 HB2 PRO 56 -2.778 16.863 -6.322 297 HG2 PRO 56 HG1 PRO 56 -5.685 16.793 -5.585 298 HG3 PRO 56 HG2 PRO 56 -4.755 15.690 -6.668 299 HD2 PRO 56 HD1 PRO 56 -5.402 15.035 -4.114 300 HD3 PRO 56 HD2 PRO 56 -3.898 14.505 -4.887 301 H ARG 57 H ARG 57 -2.399 19.842 -4.155 302 HA ARG 57 HA ARG 57 -4.492 20.831 -2.423 303 HB2 ARG 57 HB1 ARG 57 -3.241 22.977 -2.553 304 HB3 ARG 57 HB2 ARG 57 -2.251 21.612 -2.013 305 HG2 ARG 57 HG1 ARG 57 -0.789 21.963 -3.635 306 HG3 ARG 57 HG2 ARG 57 -2.070 21.821 -4.852 307 HD2 ARG 57 HD1 ARG 57 -2.621 24.290 -3.999 308 HD3 ARG 57 HD2 ARG 57 -0.897 24.241 -3.601 309 HE ARG 57 HE ARG 57 -2.050 24.426 -6.207 310 HH11 ARG 57 HH11 ARG 57 0.699 23.255 -4.421 311 HH12 ARG 57 HH12 ARG 57 1.774 23.324 -5.778 312 HH21 ARG 57 HH21 ARG 57 -0.644 24.521 -8.002 313 HH22 ARG 57 HH22 ARG 57 1.009 24.044 -7.814 314 H ASP 58 H ASP 58 -3.706 20.871 -5.801 315 HA ASP 58 HA ASP 58 -5.627 22.978 -6.386 316 HB2 ASP 58 HB1 ASP 58 -3.306 21.967 -7.658 317 HB3 ASP 58 HB2 ASP 58 -4.666 21.643 -8.741 318 HD2 ASP 58 HD ASP 58 -5.000 24.958 -9.564 319 H GLU 59 H GLU 59 -5.444 19.537 -6.304 320 HA GLU 59 HA GLU 59 -8.124 19.382 -7.518 321 HB2 GLU 59 HB1 GLU 59 -5.689 17.943 -8.158 322 HB3 GLU 59 HB2 GLU 59 -6.993 16.835 -7.708 323 HG2 GLU 59 HG1 GLU 59 -7.996 17.091 -9.664 324 HG3 GLU 59 HG2 GLU 59 -7.984 18.852 -9.491 325 HE2 GLU 59 HE GLU 59 -5.578 19.112 -11.897 326 H LYS 60 H LYS 60 -9.014 17.007 -6.884 327 HA LYS 60 HA LYS 60 -9.255 17.113 -3.995 328 HB2 LYS 60 HB1 LYS 60 -10.789 15.961 -6.242 329 HB3 LYS 60 HB2 LYS 60 -10.814 15.016 -4.742 330 HG2 LYS 60 HG1 LYS 60 -12.007 16.576 -3.596 331 HG3 LYS 60 HG2 LYS 60 -11.333 17.925 -4.527 332 HD2 LYS 60 HD1 LYS 60 -12.684 17.183 -6.489 333 HD3 LYS 60 HD2 LYS 60 -13.438 15.966 -5.444 334 HE2 LYS 60 HE1 LYS 60 -13.507 18.607 -4.231 335 HE3 LYS 60 HE2 LYS 60 -14.279 18.589 -5.823 336 HZ1 LYS 60 HZ1 LYS 60 -14.945 16.871 -3.498 337 HZ2 LYS 60 HZ2 LYS 60 -15.579 16.634 -5.049 338 HZ3 LYS 60 HZ3 LYS 60 -15.917 18.061 -4.206 339 HA PRO 61 HA PRO 61 -6.686 13.705 -2.974 340 HB2 PRO 61 HB1 PRO 61 -8.127 12.438 -1.020 341 HB3 PRO 61 HB2 PRO 61 -7.330 13.993 -0.788 342 HG2 PRO 61 HG1 PRO 61 -10.194 13.406 -1.458 343 HG3 PRO 61 HG2 PRO 61 -9.520 14.560 -0.248 344 HD2 PRO 61 HD1 PRO 61 -10.445 15.353 -2.673 345 HD3 PRO 61 HD2 PRO 61 -9.085 16.149 -1.859 346 H PHE 62 H PHE 62 -6.268 11.903 -4.072 347 HA PHE 62 HA PHE 62 -8.240 9.809 -4.318 348 HB2 PHE 62 HB1 PHE 62 -8.347 9.712 -6.691 349 HB3 PHE 62 HB2 PHE 62 -8.682 11.386 -6.244 350 HD1 PHE 62 HD1 PHE 62 -6.458 12.888 -6.065 351 HD2 PHE 62 HD2 PHE 62 -6.934 9.416 -8.481 352 HE1 PHE 62 HE1 PHE 62 -4.654 13.673 -7.543 353 HE2 PHE 62 HE2 PHE 62 -5.129 10.194 -9.961 354 HZ PHE 62 HZ PHE 62 -3.986 12.324 -9.492 355 H CYS 63 H CYS 63 -7.252 7.967 -5.733 356 HA CYS 63 HA CYS 63 -4.602 7.471 -4.649 357 HB2 CYS 63 HB1 CYS 63 -6.713 5.853 -4.829 358 HB3 CYS 63 HB2 CYS 63 -5.987 5.490 -6.395 359 H ALA 64 H ALA 64 -2.850 8.008 -5.754 360 HA ALA 64 HA ALA 64 -2.988 8.072 -8.694 361 HB1 ALA 64 HB1 ALA 64 -2.326 10.189 -8.198 362 HB2 ALA 64 HB2 ALA 64 -1.545 9.712 -6.690 363 HB3 ALA 64 HB3 ALA 64 -0.741 9.414 -8.231 364 H THR 65 H THR 65 -0.940 7.513 -9.827 365 HA THR 65 HA THR 65 -0.130 4.908 -9.226 366 HB THR 65 HB THR 65 1.944 5.948 -10.761 367 HG1 THR 65 HG1 THR 65 0.776 7.242 -12.303 368 HG21 THR 65 HG21 THR 65 0.528 5.013 -12.680 369 HG22 THR 65 HG22 THR 65 -0.670 4.627 -11.444 370 HG23 THR 65 HG23 THR 65 0.939 3.910 -11.366 371 H CYS 66 H CYS 66 1.906 4.075 -8.554 372 HA CYS 66 HA CYS 66 3.083 5.605 -6.402 373 HB2 CYS 66 HB1 CYS 66 2.668 2.889 -6.908 374 HB3 CYS 66 HB2 CYS 66 4.417 3.095 -7.016 375 H ARG 67 H ARG 67 5.538 5.496 -6.162 376 HA ARG 67 HA ARG 67 6.717 6.429 -8.680 377 HB2 ARG 67 HB1 ARG 67 7.776 6.780 -5.867 378 HB3 ARG 67 HB2 ARG 67 8.349 7.590 -7.330 379 HG2 ARG 67 HG1 ARG 67 5.715 8.288 -7.336 380 HG3 ARG 67 HG2 ARG 67 6.076 8.222 -5.602 381 HD2 ARG 67 HD1 ARG 67 7.763 9.854 -5.762 382 HD3 ARG 67 HD2 ARG 67 7.873 9.671 -7.518 383 HE ARG 67 HE ARG 67 6.074 11.358 -6.082 384 HH11 ARG 67 HH11 ARG 67 6.449 9.480 -8.988 385 HH12 ARG 67 HH12 ARG 67 5.321 10.427 -9.902 386 HH21 ARG 67 HH21 ARG 67 4.588 12.612 -7.273 387 HH22 ARG 67 HH22 ARG 67 4.264 12.209 -8.925 388 H GLY 68 H GLY 68 8.426 5.440 -9.609 389 HA2 GLY 68 HA2 GLY 68 9.132 2.809 -8.682 390 HA3 GLY 68 HA3 GLY 68 9.746 3.609 -10.121 391 HA1 GLY 68 HA1 GLY 68 9.188 3.450 -8.076 392 H LEU 69 H LEU 69 11.661 2.335 -9.089 393 HA LEU 69 HA LEU 69 12.967 3.482 -6.843 394 HB2 LEU 69 HB1 LEU 69 13.719 1.550 -8.996 395 HB3 LEU 69 HB2 LEU 69 14.990 2.249 -7.977 396 HG LEU 69 HG LEU 69 12.635 0.640 -6.988 397 HD11 LEU 69 HD11 LEU 69 13.930 -1.208 -6.982 398 HD12 LEU 69 HD12 LEU 69 15.411 -0.305 -6.669 399 HD13 LEU 69 HD13 LEU 69 14.746 -0.368 -8.301 400 HD21 LEU 69 HD21 LEU 69 14.946 1.961 -5.590 401 HD22 LEU 69 HD22 LEU 69 14.034 0.634 -4.870 402 HD23 LEU 69 HD23 LEU 69 13.221 2.147 -5.274 403 H ARG 70 H ARG 70 12.904 4.223 -10.228 404 HA ARG 70 HA ARG 70 15.206 6.010 -9.991 405 HB2 ARG 70 HB1 ARG 70 13.621 4.901 -12.284 406 HB3 ARG 70 HB2 ARG 70 14.592 6.364 -12.510 407 HG2 ARG 70 HG1 ARG 70 16.389 4.718 -11.287 408 HG3 ARG 70 HG2 ARG 70 15.433 3.576 -12.247 409 HD2 ARG 70 HD1 ARG 70 15.816 5.625 -14.029 410 HD3 ARG 70 HD2 ARG 70 17.329 5.635 -13.109 411 HE ARG 70 HE ARG 70 16.539 3.015 -13.990 412 HH11 ARG 70 HH11 ARG 70 18.222 5.940 -14.846 413 HH12 ARG 70 HH12 ARG 70 19.229 5.170 -16.027 414 HH21 ARG 70 HH21 ARG 70 17.858 1.989 -15.542 415 HH22 ARG 70 HH22 ARG 70 19.021 2.923 -16.423 416 H ARG 71 H ARG 71 12.260 6.310 -8.974 417 HA ARG 71 HA ARG 71 11.675 8.908 -10.206 418 HB2 ARG 71 HB1 ARG 71 10.057 6.839 -8.802 419 HB3 ARG 71 HB2 ARG 71 9.554 8.528 -8.629 420 HG2 ARG 71 HG1 ARG 71 10.052 7.280 -11.320 421 HG3 ARG 71 HG2 ARG 71 8.484 7.186 -10.499 422 HD2 ARG 71 HD1 ARG 71 8.772 9.785 -10.270 423 HD3 ARG 71 HD2 ARG 71 9.901 9.566 -11.614 424 HE ARG 71 HE ARG 71 7.045 9.422 -11.727 425 HH11 ARG 71 HH11 ARG 71 9.997 8.291 -13.186 426 HH12 ARG 71 HH12 ARG 71 9.271 7.982 -14.728 427 HH21 ARG 71 HH21 ARG 71 6.077 9.020 -13.753 428 HH22 ARG 71 HH22 ARG 71 7.040 8.398 -15.049 429 H ARG 72 H ARG 72 11.413 10.773 -8.975 430 HA ARG 72 HA ARG 72 12.962 10.824 -6.533 431 HB2 ARG 72 HB1 ARG 72 11.529 13.079 -7.958 432 HB3 ARG 72 HB2 ARG 72 12.738 13.247 -6.676 433 HG2 ARG 72 HG1 ARG 72 13.897 11.669 -8.726 434 HG3 ARG 72 HG2 ARG 72 13.138 13.080 -9.482 435 HD2 ARG 72 HD1 ARG 72 14.941 13.311 -7.072 436 HD3 ARG 72 HD2 ARG 72 15.554 13.341 -8.731 437 HE ARG 72 HE ARG 72 14.269 15.471 -7.361 438 HH11 ARG 72 HH11 ARG 72 14.619 14.009 -10.500 439 HH12 ARG 72 HH12 ARG 72 14.302 15.477 -11.364 440 HH21 ARG 72 HH21 ARG 72 13.850 17.411 -8.486 441 HH22 ARG 72 HH22 ARG 72 13.866 17.412 -10.216 442 H CYS 73 H CYS 73 12.228 11.320 -4.499 443 HA CYS 73 HA CYS 73 9.332 11.662 -4.145 444 HB2 CYS 73 HB1 CYS 73 9.436 10.112 -2.186 445 HB3 CYS 73 HB2 CYS 73 9.702 9.323 -3.742 446 H GLN 74 H GLN 74 8.716 12.633 -2.129 447 HA GLN 74 HA GLN 74 10.855 14.312 -1.013 448 HB2 GLN 74 HB1 GLN 74 7.860 14.732 -1.106 449 HB3 GLN 74 HB2 GLN 74 9.000 15.813 -0.287 450 HG2 GLN 74 HG1 GLN 74 9.818 16.680 -2.230 451 HG3 GLN 74 HG2 GLN 74 9.492 15.202 -3.145 452 HE21 GLN 74 HE21 GLN 74 7.711 17.713 -1.379 453 HE22 GLN 74 HE22 GLN 74 6.441 17.870 -2.540 454 H ARG 75 H ARG 75 8.259 12.106 -0.205 455 HA ARG 75 HA ARG 75 9.165 12.154 2.599 456 HB2 ARG 75 HB1 ARG 75 6.382 11.616 1.533 457 HB3 ARG 75 HB2 ARG 75 6.867 11.471 3.229 458 HG2 ARG 75 HG1 ARG 75 7.345 13.840 3.352 459 HG3 ARG 75 HG2 ARG 75 6.985 14.017 1.628 460 HD2 ARG 75 HD1 ARG 75 4.691 12.863 2.431 461 HD3 ARG 75 HD2 ARG 75 5.150 13.693 3.924 462 HE ARG 75 HE ARG 75 4.137 14.899 1.560 463 HH11 ARG 75 HH11 ARG 75 6.352 15.405 4.198 464 HH12 ARG 75 HH12 ARG 75 6.239 17.133 4.134 465 HH21 ARG 75 HH21 ARG 75 3.979 17.172 1.465 466 HH22 ARG 75 HH22 ARG 75 4.888 18.136 2.579 467 H ASP 76 H ASP 76 8.874 10.100 3.761 468 HA ASP 76 HA ASP 76 9.872 7.916 2.196 469 HB2 ASP 76 HB1 ASP 76 8.957 7.814 5.078 470 HB3 ASP 76 HB2 ASP 76 10.118 6.751 4.270 471 HD2 ASP 76 HD ASP 76 12.557 9.360 4.326 472 H ALA 77 H ALA 77 6.817 8.714 3.760 473 HA ALA 77 HA ALA 77 5.594 6.183 3.276 474 HB1 ALA 77 HB1 ALA 77 3.534 7.249 3.979 475 HB2 ALA 77 HB2 ALA 77 4.851 7.702 5.063 476 HB3 ALA 77 HB3 ALA 77 4.284 8.840 3.841 477 H MET 78 H MET 78 5.989 9.105 1.437 478 HA MET 78 HA MET 78 3.898 8.890 -0.384 479 HB2 MET 78 HB1 MET 78 6.544 10.199 -0.319 480 HB3 MET 78 HB2 MET 78 5.888 9.901 -1.936 481 HG2 MET 78 HG1 MET 78 3.817 11.087 -1.299 482 HG3 MET 78 HG2 MET 78 4.540 11.435 0.273 483 HE1 MET 78 HE1 MET 78 4.233 12.236 -3.379 484 HE2 MET 78 HE2 MET 78 5.511 13.397 -3.739 485 HE3 MET 78 HE3 MET 78 5.900 11.687 -3.550 486 H CYS 79 H CYS 79 6.969 7.204 -0.239 487 HA CYS 79 HA CYS 79 6.656 6.000 -2.842 488 HB2 CYS 79 HB1 CYS 79 8.702 6.062 -0.723 489 HB3 CYS 79 HB2 CYS 79 8.595 4.527 -1.587 490 H CYS 80 H CYS 80 6.419 3.735 -3.222 491 HA CYS 80 HA CYS 80 4.326 2.537 -1.812 492 HB2 CYS 80 HB1 CYS 80 6.175 1.762 -3.976 493 HB3 CYS 80 HB2 CYS 80 5.520 0.411 -3.049 494 HA PRO 81 HA PRO 81 6.121 0.437 1.596 495 HB2 PRO 81 HB1 PRO 81 4.755 -1.936 1.617 496 HB3 PRO 81 HB2 PRO 81 4.031 -0.393 2.065 497 HG2 PRO 81 HG1 PRO 81 3.925 -1.856 -0.550 498 HG3 PRO 81 HG2 PRO 81 2.592 -1.054 0.362 499 HD2 PRO 81 HD1 PRO 81 3.796 0.093 -1.784 500 HD3 PRO 81 HD2 PRO 81 3.190 1.034 -0.411 501 H GLY 82 H GLY 82 8.133 -0.336 1.654 502 HA2 GLY 82 HA2 GLY 82 9.287 -2.592 1.483 503 HA3 GLY 82 HA3 GLY 82 8.858 -2.499 -0.219 504 HA1 GLY 82 HA1 GLY 82 9.366 -1.741 1.701 505 H THR 83 H THR 83 9.369 0.481 -0.103 506 HA THR 83 HA THR 83 12.312 0.328 -0.206 507 HB THR 83 HB THR 83 12.256 2.052 -1.956 508 HG1 THR 83 HG1 THR 83 10.259 3.029 -1.429 509 HG21 THR 83 HG21 THR 83 11.951 -0.536 -2.346 510 HG22 THR 83 HG22 THR 83 11.835 0.601 -3.690 511 HG23 THR 83 HG23 THR 83 10.370 -0.036 -2.944 512 H LEU 84 H LEU 84 13.285 2.642 -0.139 513 HA LEU 84 HA LEU 84 11.861 4.279 1.843 514 HB2 LEU 84 HB1 LEU 84 14.605 3.105 1.999 515 HB3 LEU 84 HB2 LEU 84 14.300 4.690 2.730 516 HG LEU 84 HG LEU 84 12.433 2.518 3.472 517 HD11 LEU 84 HD11 LEU 84 14.408 1.225 3.585 518 HD12 LEU 84 HD12 LEU 84 14.074 1.762 5.230 519 HD13 LEU 84 HD13 LEU 84 15.328 2.560 4.282 520 HD21 LEU 84 HD21 LEU 84 12.188 3.728 5.391 521 HD22 LEU 84 HD22 LEU 84 12.668 5.019 4.289 522 HD23 LEU 84 HD23 LEU 84 13.856 4.301 5.378 523 H CYS 85 H CYS 85 12.212 6.486 1.729 524 HA CYS 85 HA CYS 85 13.075 7.468 -0.826 525 HB2 CYS 85 HB1 CYS 85 11.151 8.338 0.676 526 HB3 CYS 85 HB2 CYS 85 12.422 9.204 1.541 527 H VAL 86 H VAL 86 15.231 7.356 -1.153 528 HA VAL 86 HA VAL 86 16.976 8.628 0.855 529 HB VAL 86 HB VAL 86 17.743 6.542 -1.193 530 HG11 VAL 86 HG11 VAL 86 19.607 6.861 0.951 531 HG12 VAL 86 HG12 VAL 86 19.861 7.068 -0.782 532 HG13 VAL 86 HG13 VAL 86 19.310 8.427 0.197 533 HG21 VAL 86 HG21 VAL 86 18.180 5.247 1.028 534 HG22 VAL 86 HG22 VAL 86 17.004 6.376 1.698 535 HG23 VAL 86 HG23 VAL 86 16.549 5.321 0.361 536 H ASN 87 H ASN 87 18.120 10.367 0.266 537 HA ASN 87 HA ASN 87 18.825 12.140 -0.974 538 HB2 ASN 87 HB1 ASN 87 19.302 9.867 -2.912 539 HB3 ASN 87 HB2 ASN 87 19.830 11.523 -3.226 540 HD21 ASN 87 HD21 ASN 87 21.724 9.668 -3.206 541 HD22 ASN 87 HD22 ASN 87 22.691 9.767 -1.777 542 H ASP 88 H ASP 88 16.042 11.738 -0.962 543 HA ASP 88 HA ASP 88 14.155 12.515 -1.967 544 HB2 ASP 88 HB1 ASP 88 16.236 14.204 -2.832 545 HB3 ASP 88 HB2 ASP 88 15.282 13.833 -4.272 546 HD2 ASP 88 HD ASP 88 13.609 16.010 -1.423 547 H VAL 89 H VAL 89 15.448 9.983 -2.810 548 HA VAL 89 HA VAL 89 13.878 9.595 -5.244 549 HB VAL 89 HB VAL 89 16.756 8.705 -5.000 550 HG11 VAL 89 HG11 VAL 89 16.481 7.846 -7.265 551 HG12 VAL 89 HG12 VAL 89 15.352 7.067 -6.155 552 HG13 VAL 89 HG13 VAL 89 14.786 8.327 -7.252 553 HG21 VAL 89 HG21 VAL 89 16.886 10.172 -7.133 554 HG22 VAL 89 HG22 VAL 89 15.415 10.916 -6.507 555 HG23 VAL 89 HG23 VAL 89 16.897 10.953 -5.551 556 H CYS 90 H CYS 90 12.944 7.603 -5.410 557 HA CYS 90 HA CYS 90 12.676 6.052 -3.069 558 HB2 CYS 90 HB1 CYS 90 11.276 6.311 -5.412 559 HB3 CYS 90 HB2 CYS 90 11.990 4.708 -5.593 560 H THR 91 H THR 91 14.246 4.844 -2.239 561 HA THR 91 HA THR 91 15.853 3.188 -4.075 562 HB THR 91 HB THR 91 16.750 4.349 -1.430 563 HG1 THR 91 HG1 THR 91 16.582 5.826 -3.286 564 HG21 THR 91 HG21 THR 91 18.282 2.779 -3.508 565 HG22 THR 91 HG22 THR 91 17.761 2.167 -1.938 566 HG23 THR 91 HG23 THR 91 18.947 3.468 -2.027 567 H THR 92 H THR 92 15.757 1.060 -3.768 568 HA THR 92 HA THR 92 13.979 -0.160 -2.014 569 HB THR 92 HB THR 92 16.083 -2.009 -2.563 570 HG1 THR 92 HG1 THR 92 16.583 -1.603 -4.627 571 HG21 THR 92 HG21 THR 92 13.660 -2.488 -2.436 572 HG22 THR 92 HG22 THR 92 14.389 -3.085 -3.928 573 HG23 THR 92 HG23 THR 92 13.429 -1.606 -3.944 574 H MET 93 H MET 93 14.401 -1.615 -0.219 575 HA MET 93 HA MET 93 16.008 -0.408 1.779 576 HB2 MET 93 HB1 MET 93 13.938 -2.308 1.678 577 HB3 MET 93 HB2 MET 93 15.317 -3.137 2.416 578 HG2 MET 93 HG1 MET 93 15.401 -0.830 3.795 579 HG3 MET 93 HG2 MET 93 13.674 -0.918 3.442 580 HE1 MET 93 HE1 MET 93 13.902 -2.156 7.163 581 HE2 MET 93 HE2 MET 93 14.913 -0.930 6.399 582 HE3 MET 93 HE3 MET 93 13.181 -0.980 6.064 583 H GLU 94 H GLU 94 16.458 -3.160 -0.358 584 HA GLU 94 HA GLU 94 18.653 -4.356 0.877 585 HB2 GLU 94 HB1 GLU 94 17.556 -4.284 -1.891 586 HB3 GLU 94 HB2 GLU 94 19.210 -4.880 -1.683 587 HG2 GLU 94 HG1 GLU 94 18.206 -6.406 0.142 588 HG3 GLU 94 HG2 GLU 94 16.658 -6.020 -0.625 589 HE2 GLU 94 HE GLU 94 19.239 -8.078 -2.847 590 H ASP 95 H ASP 95 18.475 -1.623 -1.339 591 HA ASP 95 HA ASP 95 21.294 -1.368 -1.687 592 HB2 ASP 95 HB1 ASP 95 19.014 0.567 -2.159 593 HB3 ASP 95 HB2 ASP 95 20.696 0.901 -2.593 594 HD2 ASP 95 HD ASP 95 19.841 -2.222 -4.680 595 H ALA 96 H ALA 96 18.925 0.509 0.203 596 HA ALA 96 HA ALA 96 20.781 2.195 1.457 597 HB1 ALA 96 HB1 ALA 96 18.361 2.624 1.390 598 HB2 ALA 96 HB2 ALA 96 18.106 1.291 2.517 599 HB3 ALA 96 HB3 ALA 96 19.010 2.718 3.027 600 H THR 97 H THR 97 21.223 2.218 3.838 601 HA THR 97 HA THR 97 22.223 1.303 5.666 602 HB THR 97 HB THR 97 20.629 -1.197 5.104 603 HG1 THR 97 HG1 THR 97 19.249 0.646 5.116 604 HG21 THR 97 HG21 THR 97 22.397 -0.384 7.196 605 HG22 THR 97 HG22 THR 97 21.510 -1.898 7.025 606 HG23 THR 97 HG23 THR 97 20.766 -0.527 7.849 607 H GLU 98 H GLU 98 24.275 1.258 4.665 608 HA GLU 98 HA GLU 98 25.128 -1.111 3.248 609 HB2 GLU 98 HB1 GLU 98 26.193 1.578 3.784 610 HB3 GLU 98 HB2 GLU 98 27.419 0.300 3.765 611 HG2 GLU 98 HG1 GLU 98 27.286 0.014 1.548 612 HG3 GLU 98 HG2 GLU 98 25.524 0.169 1.543 613 HE2 GLU 98 HE GLU 98 27.548 3.182 0.291 614 H ASN 99 H ASN 99 24.866 -2.741 4.814 615 HA ASN 99 HA ASN 99 27.156 -3.273 6.379 616 HB2 ASN 99 HB1 ASN 99 26.077 -1.557 7.835 617 HB3 ASN 99 HB2 ASN 99 24.672 -2.621 7.977 618 HD21 ASN 99 HD21 ASN 99 25.078 -2.553 10.261 619 HD22 ASN 99 HD22 ASN 99 26.267 -3.598 10.953 620 H LEU 100 H LEU 100 27.321 -5.375 5.998 621 HA LEU 100 HA LEU 100 25.082 -7.031 5.395 622 HB2 LEU 100 HB1 LEU 100 27.891 -7.889 6.104 623 HB3 LEU 100 HB2 LEU 100 26.673 -8.827 5.223 624 HG LEU 100 HG LEU 100 28.133 -6.379 4.239 625 HD11 LEU 100 HD11 LEU 100 28.661 -8.210 2.421 626 HD12 LEU 100 HD12 LEU 100 28.356 -9.307 3.767 627 HD13 LEU 100 HD13 LEU 100 29.617 -8.082 3.897 628 HD21 LEU 100 HD21 LEU 100 25.888 -6.253 3.419 629 HD22 LEU 100 HD22 LEU 100 25.894 -7.964 2.988 630 HD23 LEU 100 HD23 LEU 100 26.919 -6.829 2.108 631 H TYR 101 H TYR 101 24.632 -9.089 6.548 632 HA TYR 101 HA TYR 101 24.530 -8.582 9.432 633 HB2 TYR 101 HB1 TYR 101 22.691 -9.661 7.514 634 HB3 TYR 101 HB2 TYR 101 23.020 -10.887 8.741 635 HD1 TYR 101 HD1 TYR 101 22.626 -7.169 8.903 636 HD2 TYR 101 HD2 TYR 101 21.321 -10.972 10.297 637 HE1 TYR 101 HE1 TYR 101 21.074 -6.061 10.455 638 HE2 TYR 101 HE2 TYR 101 19.764 -9.874 11.851 639 HH TYR 101 HH TYR 101 19.876 -7.188 12.975 640 H PHE 102 H PHE 102 25.627 -9.778 10.855 641 HA PHE 102 HA PHE 102 26.730 -12.358 9.994 642 HB2 PHE 102 HB1 PHE 102 28.201 -9.937 10.817 643 HB3 PHE 102 HB2 PHE 102 28.714 -11.421 11.624 644 HD1 PHE 102 HD1 PHE 102 29.757 -13.226 10.411 645 HD2 PHE 102 HD2 PHE 102 28.510 -9.679 8.418 646 HE1 PHE 102 HE1 PHE 102 31.098 -13.862 8.448 647 HE2 PHE 102 HE2 PHE 102 29.847 -10.309 6.451 648 HZ PHE 102 HZ PHE 102 31.142 -12.403 6.464 649 H GLN 103 H GLN 103 26.418 -13.939 11.426 650 HA GLN 103 HA GLN 103 25.964 -13.237 14.240 651 HB2 GLN 103 HB1 GLN 103 24.056 -14.648 14.421 652 HB3 GLN 103 HB2 GLN 103 23.792 -13.602 13.017 653 HG2 GLN 103 HG1 GLN 103 24.719 -15.525 11.614 654 HG3 GLN 103 HG2 GLN 103 24.493 -16.514 13.065 655 HE21 GLN 103 HE21 GLN 103 22.761 -14.289 10.929 656 HE22 GLN 103 HE22 GLN 103 21.232 -15.082 11.053 657 H SER 104 H SER 104 25.602 -15.622 15.374 658 HA SER 104 HA SER 104 28.167 -16.939 14.904 659 HB2 SER 104 HB1 SER 104 26.286 -17.602 17.162 660 HB3 SER 104 HB2 SER 104 28.054 -17.734 17.107 661 HG SER 104 HG SER 104 28.192 -15.486 17.180 662 H LEU 105 H LEU 105 28.122 -19.394 15.373 663 HA LEU 105 HA LEU 105 25.780 -20.856 14.687 664 HB2 LEU 105 HB1 LEU 105 26.703 -21.800 12.548 665 HB3 LEU 105 HB2 LEU 105 26.140 -20.121 12.471 666 HG LEU 105 HG LEU 105 28.992 -20.336 13.042 667 HD11 LEU 105 HD11 LEU 105 29.770 -21.398 11.187 668 HD12 LEU 105 HD12 LEU 105 28.326 -21.045 10.240 669 HD13 LEU 105 HD13 LEU 105 28.296 -22.332 11.445 670 HD21 LEU 105 HD21 LEU 105 29.130 -18.523 11.606 671 HD22 LEU 105 HD22 LEU 105 27.519 -18.343 12.298 672 HD23 LEU 105 HD23 LEU 105 27.714 -19.017 10.679 673 H GLU 106 H GLU 106 26.287 -22.109 16.456 674 HA GLU 106 HA GLU 106 28.875 -23.308 16.777 675 HB2 GLU 106 HB1 GLU 106 27.997 -24.341 18.735 676 HB3 GLU 106 HB2 GLU 106 27.329 -22.704 18.667 677 HG2 GLU 106 HG1 GLU 106 25.269 -23.708 17.603 678 HG3 GLU 106 HG2 GLU 106 25.937 -25.288 18.034 679 HE2 GLU 106 HE GLU 106 25.683 -23.960 21.515 680 H HIS 107 H HIS 107 28.790 -25.811 17.304 681 HA HIS 107 HA HIS 107 27.587 -27.104 14.947 682 HB2 HIS 107 HB1 HIS 107 30.260 -27.082 15.923 683 HB3 HIS 107 HB2 HIS 107 29.635 -28.723 16.114 684 HD1 HIS 107 HD1 HIS 107 31.309 -26.717 13.711 685 HD2 HIS 107 HD2 HIS 107 28.340 -29.617 13.521 686 HE1 HIS 107 HE1 HIS 107 31.314 -27.528 11.330 687 HE2 HIS 107 HE2 HIS 107 29.499 -29.301 11.214 688 H HIS 108 H HIS 108 28.750 -28.046 18.188 689 HA HIS 108 HA HIS 108 27.911 -29.477 19.747 690 HB2 HIS 108 HB1 HIS 108 26.021 -27.699 19.435 691 HB3 HIS 108 HB2 HIS 108 25.155 -29.023 18.648 692 HD1 HIS 108 HD1 HIS 108 26.449 -27.954 21.999 693 HD2 HIS 108 HD2 HIS 108 24.197 -31.022 20.334 694 HE1 HIS 108 HE1 HIS 108 25.446 -29.186 23.949 695 HE2 HIS 108 HE2 HIS 108 24.072 -31.062 22.932 696 H HIS 109 H HIS 109 28.990 -31.122 18.328 697 HA HIS 109 HA HIS 109 27.032 -32.946 17.104 698 HB2 HIS 109 HB1 HIS 109 29.692 -32.075 16.339 699 HB3 HIS 109 HB2 HIS 109 29.603 -33.837 16.443 700 HD1 HIS 109 HD1 HIS 109 27.437 -31.100 14.903 701 HD2 HIS 109 HD2 HIS 109 28.830 -34.933 14.107 702 HE1 HIS 109 HE1 HIS 109 26.544 -31.681 12.625 703 HE2 HIS 109 HE2 HIS 109 27.394 -34.023 12.137 704 H HIS 110 H HIS 110 26.384 -34.378 18.588 705 HA HIS 110 HA HIS 110 28.397 -36.061 19.845 706 HB2 HIS 110 HB1 HIS 110 27.115 -33.985 21.277 707 HB3 HIS 110 HB2 HIS 110 26.384 -35.498 21.821 708 HD1 HIS 110 HD1 HIS 110 27.582 -36.642 23.652 709 HD2 HIS 110 HD2 HIS 110 30.113 -34.196 21.444 710 HE1 HIS 110 HE1 HIS 110 29.812 -36.763 24.809 711 HE2 HIS 110 HE2 HIS 110 31.360 -35.268 23.460 712 H HIS 111 H HIS 111 27.585 -38.088 20.562 713 HA HIS 111 HA HIS 111 24.950 -38.758 19.423 714 HB2 HIS 111 HB1 HIS 111 27.575 -39.999 19.162 715 HB3 HIS 111 HB2 HIS 111 26.347 -41.149 19.701 716 HD1 HIS 111 HD1 HIS 111 24.826 -42.089 17.963 717 HD2 HIS 111 HD2 HIS 111 26.841 -38.709 16.632 718 HE1 HIS 111 HE1 HIS 111 24.270 -41.894 15.519 719 HE2 HIS 111 HE2 HIS 111 25.499 -39.826 14.704 720 H HIS 112 H HIS 112 24.022 -40.817 20.454 721 HA HIS 112 HA HIS 112 24.203 -40.502 23.370 722 HB2 HIS 112 HB1 HIS 112 21.997 -40.207 21.995 723 HB3 HIS 112 HB2 HIS 112 21.982 -41.973 21.989 724 HD1 HIS 112 HD1 HIS 112 23.130 -42.246 24.956 725 HD2 HIS 112 HD2 HIS 112 19.856 -39.985 23.763 726 HE1 HIS 112 HE1 HIS 112 21.711 -41.980 27.015 727 HE2 HIS 112 HE2 HIS 112 19.709 -40.600 26.287 Start of MODEL 35 1 H1 MET 18 H MET 18 -25.705 35.302 31.355 2 HA MET 18 HA MET 18 -23.779 33.738 29.995 3 HB2 MET 18 HB1 MET 18 -23.591 35.674 32.304 4 HB3 MET 18 HB2 MET 18 -22.172 34.865 31.622 5 HG2 MET 18 HG1 MET 18 -22.360 35.971 29.570 6 HG3 MET 18 HG2 MET 18 -24.033 36.438 29.886 7 HE1 MET 18 HE1 MET 18 -20.666 37.202 29.642 8 HE2 MET 18 HE2 MET 18 -21.237 38.813 29.207 9 HE3 MET 18 HE3 MET 18 -20.253 38.586 30.654 10 H LEU 19 H LEU 19 -25.272 31.826 31.070 11 HA LEU 19 HA LEU 19 -23.728 30.830 33.372 12 HB2 LEU 19 HB1 LEU 19 -25.701 29.364 33.816 13 HB3 LEU 19 HB2 LEU 19 -25.996 31.100 34.015 14 HG LEU 19 HG LEU 19 -26.705 30.381 31.353 15 HD11 LEU 19 HD11 LEU 19 -28.368 28.714 31.668 16 HD12 LEU 19 HD12 LEU 19 -28.123 28.708 33.415 17 HD13 LEU 19 HD13 LEU 19 -26.867 28.084 32.346 18 HD21 LEU 19 HD21 LEU 19 -28.261 31.238 33.787 19 HD22 LEU 19 HD22 LEU 19 -28.955 31.107 32.172 20 HD23 LEU 19 HD23 LEU 19 -27.654 32.257 32.482 21 H VAL 20 H VAL 20 -24.962 30.126 30.181 22 HA VAL 20 HA VAL 20 -23.940 27.404 30.228 23 HB VAL 20 HB VAL 20 -26.065 27.884 29.073 24 HG11 VAL 20 HG11 VAL 20 -25.687 30.093 28.248 25 HG12 VAL 20 HG12 VAL 20 -24.316 29.554 27.276 26 HG13 VAL 20 HG13 VAL 20 -25.951 29.038 26.859 27 HG21 VAL 20 HG21 VAL 20 -25.703 26.405 27.336 28 HG22 VAL 20 HG22 VAL 20 -24.125 27.087 26.942 29 HG23 VAL 20 HG23 VAL 20 -24.317 26.083 28.378 30 H LEU 21 H LEU 21 -22.223 26.648 29.020 31 HA LEU 21 HA LEU 21 -20.258 28.661 28.275 32 HB2 LEU 21 HB1 LEU 21 -20.187 25.705 28.768 33 HB3 LEU 21 HB2 LEU 21 -18.869 26.496 27.886 34 HG LEU 21 HG LEU 21 -19.388 27.930 30.314 35 HD11 LEU 21 HD11 LEU 21 -20.190 25.449 30.782 36 HD12 LEU 21 HD12 LEU 21 -19.280 26.378 31.973 37 HD13 LEU 21 HD13 LEU 21 -18.455 25.190 30.964 38 HD21 LEU 21 HD21 LEU 21 -17.300 28.120 29.232 39 HD22 LEU 21 HD22 LEU 21 -17.082 26.371 29.175 40 HD23 LEU 21 HD23 LEU 21 -16.990 27.222 30.717 41 H ASP 22 H ASP 22 -19.271 28.789 26.250 42 HA ASP 22 HA ASP 22 -19.165 28.767 23.978 43 HB2 ASP 22 HB1 ASP 22 -20.578 26.097 24.082 44 HB3 ASP 22 HB2 ASP 22 -19.478 26.697 22.834 45 HD2 ASP 22 HD ASP 22 -17.946 25.050 26.066 46 H PHE 23 H PHE 23 -20.472 30.370 23.299 47 HA PHE 23 HA PHE 23 -23.236 30.510 23.545 48 HB2 PHE 23 HB1 PHE 23 -21.155 32.012 22.254 49 HB3 PHE 23 HB2 PHE 23 -22.527 31.864 21.156 50 HD1 PHE 23 HD1 PHE 23 -23.780 33.781 21.156 51 HD2 PHE 23 HD2 PHE 23 -22.275 32.304 24.853 52 HE1 PHE 23 HE1 PHE 23 -24.963 35.578 22.351 53 HE2 PHE 23 HE2 PHE 23 -23.456 34.097 26.054 54 HZ PHE 23 HZ PHE 23 -24.802 35.737 24.804 55 H ASN 24 H ASN 24 -24.887 30.398 21.862 56 HA ASN 24 HA ASN 24 -24.923 27.895 20.577 57 HB2 ASN 24 HB1 ASN 24 -26.683 30.310 20.592 58 HB3 ASN 24 HB2 ASN 24 -26.931 29.109 19.319 59 HD21 ASN 24 HD21 ASN 24 -28.288 29.997 21.979 60 HD22 ASN 24 HD22 ASN 24 -28.735 28.487 22.690 61 H ASN 25 H ASN 25 -25.622 27.817 18.138 62 HA ASN 25 HA ASN 25 -24.532 29.675 16.323 63 HB2 ASN 25 HB1 ASN 25 -22.537 28.240 17.535 64 HB3 ASN 25 HB2 ASN 25 -22.852 27.271 16.091 65 HD21 ASN 25 HD21 ASN 25 -21.226 27.716 14.766 66 HD22 ASN 25 HD22 ASN 25 -20.751 29.298 14.262 67 H ILE 26 H ILE 26 -24.420 28.745 14.067 68 HA ILE 26 HA ILE 26 -26.749 27.083 13.660 69 HB ILE 26 HB ILE 26 -26.368 27.497 11.258 70 HG12 ILE 26 HG11 ILE 26 -24.389 29.579 11.528 71 HG13 ILE 26 HG12 ILE 26 -23.737 28.036 12.110 72 HG21 ILE 26 HG21 ILE 26 -26.083 30.179 12.494 73 HG22 ILE 26 HG22 ILE 26 -27.261 29.590 11.322 74 HG23 ILE 26 HG23 ILE 26 -27.423 29.165 13.027 75 HD11 ILE 26 HD11 ILE 26 -24.527 27.022 9.938 76 HD12 ILE 26 HD12 ILE 26 -24.796 28.673 9.379 77 HD13 ILE 26 HD13 ILE 26 -23.176 28.150 9.834 78 H ARG 27 H ARG 27 -26.551 25.419 11.792 79 HA ARG 27 HA ARG 27 -24.096 24.019 11.489 80 HB2 ARG 27 HB1 ARG 27 -24.661 23.398 13.828 81 HB3 ARG 27 HB2 ARG 27 -26.173 22.690 13.237 82 HG2 ARG 27 HG1 ARG 27 -24.712 21.222 11.737 83 HG3 ARG 27 HG2 ARG 27 -23.367 21.751 12.764 84 HD2 ARG 27 HD1 ARG 27 -24.888 21.017 14.737 85 HD3 ARG 27 HD2 ARG 27 -25.766 20.115 13.494 86 HE ARG 27 HE ARG 27 -23.066 19.499 13.216 87 HH11 ARG 27 HH11 ARG 27 -25.612 19.094 15.554 88 HH12 ARG 27 HH12 ARG 27 -24.956 17.630 16.209 89 HH21 ARG 27 HH21 ARG 27 -22.192 17.572 14.068 90 HH22 ARG 27 HH22 ARG 27 -23.009 16.766 15.363 91 H SER 28 H SER 28 -27.631 23.684 11.498 92 HA SER 28 HA SER 28 -29.089 22.819 9.981 93 HB2 SER 28 HB1 SER 28 -26.811 23.553 8.119 94 HB3 SER 28 HB2 SER 28 -28.399 22.998 7.559 95 HG SER 28 HG SER 28 -29.306 24.835 8.212 96 H SER 29 H SER 29 -28.810 20.748 11.053 97 HA SER 29 HA SER 29 -27.759 18.742 9.195 98 HB2 SER 29 HB1 SER 29 -27.097 18.934 12.144 99 HB3 SER 29 HB2 SER 29 -26.867 17.457 11.191 100 HG SER 29 HG SER 29 -24.984 18.855 11.351 101 H ALA 30 H ALA 30 -28.883 16.821 9.157 102 HA ALA 30 HA ALA 30 -31.574 16.893 10.059 103 HB1 ALA 30 HB1 ALA 30 -30.108 14.460 9.065 104 HB2 ALA 30 HB2 ALA 30 -31.839 14.794 8.991 105 HB3 ALA 30 HB3 ALA 30 -30.718 15.724 7.997 106 H ASP 31 H ASP 31 -32.439 14.750 11.141 107 HA ASP 31 HA ASP 31 -30.941 14.461 13.653 108 HB2 ASP 31 HB1 ASP 31 -33.548 15.196 13.273 109 HB3 ASP 31 HB2 ASP 31 -33.707 13.457 13.561 110 HD2 ASP 31 HD ASP 31 -33.186 15.707 16.632 111 H LEU 32 H LEU 32 -32.923 12.562 11.385 112 HA LEU 32 HA LEU 32 -32.330 10.045 12.482 113 HB2 LEU 32 HB1 LEU 32 -33.393 11.045 9.885 114 HB3 LEU 32 HB2 LEU 32 -32.830 9.366 9.968 115 HG LEU 32 HG LEU 32 -34.418 9.207 12.024 116 HD11 LEU 32 HD11 LEU 32 -36.063 10.755 12.286 117 HD12 LEU 32 HD12 LEU 32 -36.031 11.245 10.593 118 HD13 LEU 32 HD13 LEU 32 -34.779 11.810 11.698 119 HD21 LEU 32 HD21 LEU 32 -36.365 8.874 10.343 120 HD22 LEU 32 HD22 LEU 32 -34.934 7.850 10.222 121 HD23 LEU 32 HD23 LEU 32 -35.139 9.213 9.122 122 H HIS 33 H HIS 33 -30.953 8.373 11.679 123 HA HIS 33 HA HIS 33 -28.382 9.400 10.793 124 HB2 HIS 33 HB1 HIS 33 -27.584 7.081 11.258 125 HB3 HIS 33 HB2 HIS 33 -28.321 7.873 12.652 126 HD1 HIS 33 HD1 HIS 33 -30.469 6.877 13.608 127 HD2 HIS 33 HD2 HIS 33 -29.112 4.929 10.199 128 HE1 HIS 33 HE1 HIS 33 -31.828 4.767 13.455 129 HE2 HIS 33 HE2 HIS 33 -30.999 3.576 11.371 130 H GLY 34 H GLY 34 -27.201 7.519 9.371 131 HA2 GLY 34 HA2 GLY 34 -27.384 6.126 7.445 132 HA3 GLY 34 HA3 GLY 34 -28.980 6.797 7.149 133 HA1 GLY 34 HA1 GLY 34 -26.937 6.829 7.733 134 H ALA 35 H ALA 35 -25.717 8.170 7.588 135 HA ALA 35 HA ALA 35 -25.889 9.342 4.917 136 HB1 ALA 35 HB1 ALA 35 -24.835 11.281 6.791 137 HB2 ALA 35 HB2 ALA 35 -26.088 11.463 5.563 138 HB3 ALA 35 HB3 ALA 35 -26.503 10.847 7.162 139 H ARG 36 H ARG 36 -23.819 10.195 4.158 140 HA ARG 36 HA ARG 36 -21.498 9.108 5.596 141 HB2 ARG 36 HB1 ARG 36 -22.452 7.770 3.516 142 HB3 ARG 36 HB2 ARG 36 -21.535 8.989 2.617 143 HG2 ARG 36 HG1 ARG 36 -19.702 8.201 4.478 144 HG3 ARG 36 HG2 ARG 36 -20.592 6.700 4.172 145 HD2 ARG 36 HD1 ARG 36 -19.554 8.428 1.929 146 HD3 ARG 36 HD2 ARG 36 -18.566 7.178 2.697 147 HE ARG 36 HE ARG 36 -20.944 5.959 1.985 148 HH11 ARG 36 HH11 ARG 36 -18.312 7.581 0.385 149 HH12 ARG 36 HH12 ARG 36 -18.473 6.674 -1.082 150 HH21 ARG 36 HH21 ARG 36 -21.166 4.758 0.058 151 HH22 ARG 36 HH22 ARG 36 -20.097 5.070 -1.267 152 H LYS 37 H LYS 37 -19.589 10.255 5.388 153 HA LYS 37 HA LYS 37 -19.417 12.518 3.600 154 HB2 LYS 37 HB1 LYS 37 -20.464 12.906 6.186 155 HB3 LYS 37 HB2 LYS 37 -18.800 13.509 6.237 156 HG2 LYS 37 HG1 LYS 37 -19.231 14.989 4.366 157 HG3 LYS 37 HG2 LYS 37 -20.876 14.344 4.221 158 HD2 LYS 37 HD1 LYS 37 -20.657 15.108 6.898 159 HD3 LYS 37 HD2 LYS 37 -19.851 16.396 5.985 160 HE2 LYS 37 HE1 LYS 37 -21.906 17.241 5.666 161 HE3 LYS 37 HE2 LYS 37 -22.098 15.937 4.485 162 HZ1 LYS 37 HZ1 LYS 37 -23.759 16.303 6.508 163 HZ2 LYS 37 HZ2 LYS 37 -22.661 15.259 7.261 164 HZ3 LYS 37 HZ3 LYS 37 -23.452 14.776 5.846 165 H GLY 38 H GLY 38 -17.313 13.869 4.535 166 HA2 GLY 38 HA2 GLY 38 -15.081 13.716 5.271 167 HA3 GLY 38 HA3 GLY 38 -15.264 11.973 5.391 168 HA1 GLY 38 HA1 GLY 38 -15.513 13.897 4.523 169 H SER 39 H SER 39 -13.474 11.403 4.223 170 HA SER 39 HA SER 39 -13.350 12.340 1.436 171 HB2 SER 39 HB1 SER 39 -11.094 10.857 2.746 172 HB3 SER 39 HB2 SER 39 -11.043 12.093 1.477 173 HG SER 39 HG SER 39 -11.686 12.547 4.206 174 H GLN 40 H GLN 40 -12.509 10.707 -0.141 175 HA GLN 40 HA GLN 40 -14.175 8.428 -0.145 176 HB2 GLN 40 HB1 GLN 40 -12.171 9.639 -1.915 177 HB3 GLN 40 HB2 GLN 40 -12.253 7.874 -2.027 178 HG2 GLN 40 HG1 GLN 40 -14.794 9.432 -2.115 179 HG3 GLN 40 HG2 GLN 40 -13.748 9.404 -3.542 180 HE21 GLN 40 HE21 GLN 40 -13.903 7.742 -4.887 181 HE22 GLN 40 HE22 GLN 40 -14.741 6.266 -4.568 182 H CYS 41 H CYS 41 -10.875 8.964 0.856 183 HA CYS 41 HA CYS 41 -10.751 6.164 1.751 184 HB2 CYS 41 HB1 CYS 41 -8.379 6.070 1.212 185 HB3 CYS 41 HB2 CYS 41 -9.319 6.443 -0.234 186 H LEU 42 H LEU 42 -9.917 5.819 3.764 187 HA LEU 42 HA LEU 42 -9.568 8.187 5.424 188 HB2 LEU 42 HB1 LEU 42 -10.556 5.513 5.801 189 HB3 LEU 42 HB2 LEU 42 -9.270 5.857 6.970 190 HG LEU 42 HG LEU 42 -11.134 8.051 6.859 191 HD11 LEU 42 HD11 LEU 42 -12.308 5.360 7.543 192 HD12 LEU 42 HD12 LEU 42 -12.722 6.330 6.130 193 HD13 LEU 42 HD13 LEU 42 -13.090 6.927 7.747 194 HD21 LEU 42 HD21 LEU 42 -11.211 7.671 9.252 195 HD22 LEU 42 HD22 LEU 42 -9.547 7.567 8.675 196 HD23 LEU 42 HD23 LEU 42 -10.444 6.095 9.049 197 H SER 43 H SER 43 -7.734 5.534 4.119 198 HA SER 43 HA SER 43 -5.286 6.763 5.134 199 HB2 SER 43 HB1 SER 43 -6.342 4.530 6.389 200 HB3 SER 43 HB2 SER 43 -5.153 3.844 5.267 201 HG SER 43 HG SER 43 -4.083 4.338 7.150 202 H ASP 44 H ASP 44 -3.325 5.551 4.146 203 HA ASP 44 HA ASP 44 -3.595 5.689 1.322 204 HB2 ASP 44 HB1 ASP 44 -1.213 4.911 1.304 205 HB3 ASP 44 HB2 ASP 44 -1.504 6.327 2.324 206 HD2 ASP 44 HD ASP 44 -0.373 2.959 4.048 207 H THR 45 H THR 45 -3.775 3.112 3.628 208 HA THR 45 HA THR 45 -3.342 0.988 1.746 209 HB THR 45 HB THR 45 -4.851 0.374 4.209 210 HG1 THR 45 HG1 THR 45 -2.873 0.676 5.459 211 HG21 THR 45 HG21 THR 45 -3.279 -1.002 2.397 212 HG22 THR 45 HG22 THR 45 -3.827 -1.602 3.962 213 HG23 THR 45 HG23 THR 45 -2.240 -0.848 3.813 214 H ASP 46 H ASP 46 -6.050 2.869 2.795 215 HA ASP 46 HA ASP 46 -8.103 1.056 2.040 216 HB2 ASP 46 HB1 ASP 46 -8.042 3.403 3.426 217 HB3 ASP 46 HB2 ASP 46 -8.711 3.938 1.880 218 HD2 ASP 46 HD ASP 46 -10.981 1.828 4.277 219 H CYS 47 H CYS 47 -6.141 3.340 0.315 220 HA CYS 47 HA CYS 47 -7.668 3.886 -1.920 221 HB2 CYS 47 HB1 CYS 47 -5.546 4.970 -1.583 222 HB3 CYS 47 HB2 CYS 47 -4.690 3.431 -1.687 223 H ASN 48 H ASN 48 -5.332 1.212 -1.571 224 HA ASN 48 HA ASN 48 -7.046 -0.544 -3.092 225 HB2 ASN 48 HB1 ASN 48 -4.747 0.815 -4.309 226 HB3 ASN 48 HB2 ASN 48 -4.697 -0.946 -4.478 227 HD21 ASN 48 HD21 ASN 48 -6.045 -1.947 -5.866 228 HD22 ASN 48 HD22 ASN 48 -7.189 -1.130 -6.869 229 H THR 49 H THR 49 -3.531 -0.504 -2.559 230 HA THR 49 HA THR 49 -3.460 -2.119 -0.287 231 HB THR 49 HB THR 49 -4.426 -3.931 -1.471 232 HG1 THR 49 HG1 THR 49 -2.894 -5.343 -0.990 233 HG21 THR 49 HG21 THR 49 -3.050 -2.778 -3.725 234 HG22 THR 49 HG22 THR 49 -4.382 -3.934 -3.701 235 HG23 THR 49 HG23 THR 49 -2.717 -4.507 -3.615 236 H ARG 50 H ARG 50 -1.961 -1.222 -3.327 237 HA ARG 50 HA ARG 50 0.633 -1.112 -1.939 238 HB2 ARG 50 HB1 ARG 50 1.738 -1.732 -4.067 239 HB3 ARG 50 HB2 ARG 50 0.705 -3.018 -3.427 240 HG2 ARG 50 HG1 ARG 50 -0.043 -3.138 -5.539 241 HG3 ARG 50 HG2 ARG 50 -1.046 -1.762 -5.046 242 HD2 ARG 50 HD1 ARG 50 -0.042 -0.426 -6.521 243 HD3 ARG 50 HD2 ARG 50 1.542 -0.824 -5.840 244 HE ARG 50 HE ARG 50 0.383 -1.883 -8.236 245 HH11 ARG 50 HH11 ARG 50 2.624 -2.510 -5.647 246 HH12 ARG 50 HH12 ARG 50 3.575 -3.628 -6.566 247 HH21 ARG 50 HH21 ARG 50 1.627 -3.354 -9.456 248 HH22 ARG 50 HH22 ARG 50 3.009 -4.108 -8.733 249 H LYS 51 H LYS 51 -1.434 0.926 -2.451 250 HA LYS 51 HA LYS 51 0.292 2.858 -3.823 251 HB2 LYS 51 HB1 LYS 51 -2.696 2.644 -4.272 252 HB3 LYS 51 HB2 LYS 51 -1.605 3.834 -5.001 253 HG2 LYS 51 HG1 LYS 51 -0.625 2.282 -6.421 254 HG3 LYS 51 HG2 LYS 51 -1.151 0.910 -5.429 255 HD2 LYS 51 HD1 LYS 51 -2.989 0.683 -6.664 256 HD3 LYS 51 HD2 LYS 51 -3.463 2.346 -6.276 257 HE2 LYS 51 HE1 LYS 51 -1.879 3.096 -8.117 258 HE3 LYS 51 HE2 LYS 51 -1.782 1.393 -8.582 259 HZ1 LYS 51 HZ1 LYS 51 -4.311 2.940 -8.420 260 HZ2 LYS 51 HZ2 LYS 51 -4.133 1.357 -8.987 261 HZ3 LYS 51 HZ3 LYS 51 -3.455 2.644 -9.850 262 H PHE 52 H PHE 52 -0.319 5.124 -3.338 263 HA PHE 52 HA PHE 52 -1.496 5.336 -0.645 264 HB2 PHE 52 HB1 PHE 52 0.031 7.079 -0.109 265 HB3 PHE 52 HB2 PHE 52 0.986 5.779 -0.829 266 HD1 PHE 52 HD1 PHE 52 2.036 6.021 -2.982 267 HD2 PHE 52 HD2 PHE 52 -0.311 9.162 -1.328 268 HE1 PHE 52 HE1 PHE 52 2.961 7.582 -4.644 269 HE2 PHE 52 HE2 PHE 52 0.607 10.727 -2.988 270 HZ PHE 52 HZ PHE 52 2.245 9.939 -4.649 271 H CYS 53 H CYS 53 -2.866 7.053 -0.198 272 HA CYS 53 HA CYS 53 -4.336 8.066 -2.434 273 HB2 CYS 53 HB1 CYS 53 -4.673 7.869 0.432 274 HB3 CYS 53 HB2 CYS 53 -5.113 9.482 -0.132 275 H LEU 54 H LEU 54 -3.227 9.497 -3.666 276 HA LEU 54 HA LEU 54 -1.641 11.598 -2.488 277 HB2 LEU 54 HB1 LEU 54 -0.952 10.523 -4.575 278 HB3 LEU 54 HB2 LEU 54 -2.439 11.094 -5.352 279 HG LEU 54 HG LEU 54 -1.218 13.405 -4.380 280 HD11 LEU 54 HD11 LEU 54 0.896 12.568 -4.006 281 HD12 LEU 54 HD12 LEU 54 1.015 13.108 -5.680 282 HD13 LEU 54 HD13 LEU 54 0.782 11.398 -5.321 283 HD21 LEU 54 HD21 LEU 54 -1.102 12.249 -7.163 284 HD22 LEU 54 HD22 LEU 54 -0.963 13.950 -6.717 285 HD23 LEU 54 HD23 LEU 54 -2.488 13.096 -6.477 286 H GLN 55 H GLN 55 -2.251 13.627 -2.068 287 HA GLN 55 HA GLN 55 -4.785 14.598 -3.201 288 HB2 GLN 55 HB1 GLN 55 -3.908 15.095 -0.350 289 HB3 GLN 55 HB2 GLN 55 -5.456 15.527 -1.093 290 HG2 GLN 55 HG1 GLN 55 -5.869 13.063 -1.429 291 HG3 GLN 55 HG2 GLN 55 -4.451 12.781 -0.408 292 HE21 GLN 55 HE21 GLN 55 -4.572 13.128 1.775 293 HE22 GLN 55 HE22 GLN 55 -6.054 13.456 2.600 294 HA PRO 56 HA PRO 56 -1.516 17.681 -4.091 295 HB2 PRO 56 HB1 PRO 56 -2.616 18.473 -6.472 296 HB3 PRO 56 HB2 PRO 56 -1.569 17.065 -6.304 297 HG2 PRO 56 HG1 PRO 56 -4.563 17.211 -6.370 298 HG3 PRO 56 HG2 PRO 56 -3.459 16.074 -7.228 299 HD2 PRO 56 HD1 PRO 56 -4.813 15.381 -4.980 300 HD3 PRO 56 HD2 PRO 56 -3.196 14.757 -5.356 301 H ARG 57 H ARG 57 -1.604 19.966 -4.135 302 HA ARG 57 HA ARG 57 -3.939 21.057 -2.828 303 HB2 ARG 57 HB1 ARG 57 -2.578 23.153 -2.735 304 HB3 ARG 57 HB2 ARG 57 -1.808 21.751 -1.979 305 HG2 ARG 57 HG1 ARG 57 -0.101 21.710 -3.445 306 HG3 ARG 57 HG2 ARG 57 -1.137 22.165 -4.809 307 HD2 ARG 57 HD1 ARG 57 -1.227 24.489 -3.573 308 HD3 ARG 57 HD2 ARG 57 0.270 23.902 -2.834 309 HE ARG 57 HE ARG 57 0.245 23.668 -5.697 310 HH11 ARG 57 HH11 ARG 57 0.897 25.778 -3.007 311 HH12 ARG 57 HH12 ARG 57 2.002 26.778 -3.891 312 HH21 ARG 57 HH21 ARG 57 1.697 24.975 -6.872 313 HH22 ARG 57 HH22 ARG 57 2.456 26.321 -6.090 314 H ASP 58 H ASP 58 -2.495 21.083 -5.988 315 HA ASP 58 HA ASP 58 -4.210 23.247 -6.913 316 HB2 ASP 58 HB1 ASP 58 -1.724 22.068 -7.766 317 HB3 ASP 58 HB2 ASP 58 -2.882 22.053 -9.101 318 HD2 ASP 58 HD ASP 58 -2.616 25.438 -9.558 319 H GLU 59 H GLU 59 -4.110 19.802 -6.861 320 HA GLU 59 HA GLU 59 -6.431 19.709 -8.674 321 HB2 GLU 59 HB1 GLU 59 -3.988 18.153 -8.611 322 HB3 GLU 59 HB2 GLU 59 -5.411 17.113 -8.457 323 HG2 GLU 59 HG1 GLU 59 -5.039 17.194 -10.746 324 HG3 GLU 59 HG2 GLU 59 -6.328 18.376 -10.482 325 HE2 GLU 59 HE GLU 59 -4.411 20.684 -12.117 326 H LYS 60 H LYS 60 -7.571 17.401 -8.208 327 HA LYS 60 HA LYS 60 -8.448 17.610 -5.431 328 HB2 LYS 60 HB1 LYS 60 -10.294 16.080 -6.196 329 HB3 LYS 60 HB2 LYS 60 -10.237 17.653 -7.009 330 HG2 LYS 60 HG1 LYS 60 -8.708 15.557 -8.373 331 HG3 LYS 60 HG2 LYS 60 -10.449 15.244 -8.261 332 HD2 LYS 60 HD1 LYS 60 -11.014 17.069 -9.542 333 HD3 LYS 60 HD2 LYS 60 -9.545 17.956 -9.100 334 HE2 LYS 60 HE1 LYS 60 -8.287 16.128 -10.427 335 HE3 LYS 60 HE2 LYS 60 -9.876 15.751 -11.106 336 HZ1 LYS 60 HZ1 LYS 60 -9.568 18.507 -11.265 337 HZ2 LYS 60 HZ2 LYS 60 -9.580 17.394 -12.538 338 HZ3 LYS 60 HZ3 LYS 60 -8.116 17.833 -11.813 339 HA PRO 61 HA PRO 61 -6.520 13.917 -4.048 340 HB2 PRO 61 HB1 PRO 61 -8.378 12.966 -2.273 341 HB3 PRO 61 HB2 PRO 61 -7.376 14.384 -1.968 342 HG2 PRO 61 HG1 PRO 61 -10.192 14.229 -2.991 343 HG3 PRO 61 HG2 PRO 61 -9.496 15.308 -1.723 344 HD2 PRO 61 HD1 PRO 61 -9.974 16.146 -4.262 345 HD3 PRO 61 HD2 PRO 61 -8.616 16.747 -3.294 346 H PHE 62 H PHE 62 -6.332 11.836 -4.678 347 HA PHE 62 HA PHE 62 -8.522 10.122 -5.224 348 HB2 PHE 62 HB1 PHE 62 -8.434 9.933 -7.594 349 HB3 PHE 62 HB2 PHE 62 -8.568 11.654 -7.234 350 HD1 PHE 62 HD1 PHE 62 -6.215 12.880 -6.939 351 HD2 PHE 62 HD2 PHE 62 -6.889 9.332 -9.193 352 HE1 PHE 62 HE1 PHE 62 -4.196 13.344 -8.267 353 HE2 PHE 62 HE2 PHE 62 -4.871 9.790 -10.523 354 HZ PHE 62 HZ PHE 62 -3.521 11.798 -10.060 355 H CYS 63 H CYS 63 -7.703 8.085 -6.435 356 HA CYS 63 HA CYS 63 -5.381 7.173 -5.024 357 HB2 CYS 63 HB1 CYS 63 -7.481 5.980 -6.742 358 HB3 CYS 63 HB2 CYS 63 -5.924 5.147 -6.739 359 H ALA 64 H ALA 64 -3.339 7.062 -5.707 360 HA ALA 64 HA ALA 64 -2.775 7.202 -8.580 361 HB1 ALA 64 HB1 ALA 64 -2.115 9.238 -6.576 362 HB2 ALA 64 HB2 ALA 64 -0.767 8.749 -7.603 363 HB3 ALA 64 HB3 ALA 64 -2.249 9.369 -8.331 364 H THR 65 H THR 65 -0.906 6.166 -9.228 365 HA THR 65 HA THR 65 -0.024 3.984 -7.747 366 HB THR 65 HB THR 65 2.093 4.684 -9.488 367 HG1 THR 65 HG1 THR 65 0.895 5.126 -11.406 368 HG21 THR 65 HG21 THR 65 -0.077 2.951 -10.501 369 HG22 THR 65 HG22 THR 65 0.622 2.494 -8.947 370 HG23 THR 65 HG23 THR 65 1.654 2.642 -10.369 371 H CYS 66 H CYS 66 2.260 3.553 -7.073 372 HA CYS 66 HA CYS 66 3.145 5.709 -5.332 373 HB2 CYS 66 HB1 CYS 66 4.525 4.035 -4.244 374 HB3 CYS 66 HB2 CYS 66 2.876 3.433 -4.417 375 H ARG 67 H ARG 67 5.168 6.643 -5.373 376 HA ARG 67 HA ARG 67 6.392 7.022 -7.851 377 HB2 ARG 67 HB1 ARG 67 7.451 7.473 -5.055 378 HB3 ARG 67 HB2 ARG 67 8.263 8.036 -6.522 379 HG2 ARG 67 HG1 ARG 67 5.479 8.841 -5.676 380 HG3 ARG 67 HG2 ARG 67 6.947 9.796 -5.414 381 HD2 ARG 67 HD1 ARG 67 6.913 10.593 -7.502 382 HD3 ARG 67 HD2 ARG 67 6.720 8.968 -8.173 383 HE ARG 67 HE ARG 67 4.461 9.332 -8.347 384 HH11 ARG 67 HH11 ARG 67 5.883 11.794 -6.337 385 HH12 ARG 67 HH12 ARG 67 4.446 12.761 -6.282 386 HH21 ARG 67 HH21 ARG 67 2.564 10.596 -8.281 387 HH22 ARG 67 HH22 ARG 67 2.559 12.079 -7.386 388 H GLY 68 H GLY 68 7.476 5.581 -9.016 389 HA2 GLY 68 HA2 GLY 68 8.497 3.154 -8.029 390 HA3 GLY 68 HA3 GLY 68 8.879 3.858 -9.592 391 HA1 GLY 68 HA1 GLY 68 8.646 3.828 -7.480 392 H LEU 69 H LEU 69 10.889 2.550 -8.618 393 HA LEU 69 HA LEU 69 12.538 3.807 -6.727 394 HB2 LEU 69 HB1 LEU 69 13.006 1.850 -8.949 395 HB3 LEU 69 HB2 LEU 69 14.379 2.544 -8.069 396 HG LEU 69 HG LEU 69 12.142 0.929 -6.846 397 HD11 LEU 69 HD11 LEU 69 13.968 -0.163 -8.361 398 HD12 LEU 69 HD12 LEU 69 13.537 -0.896 -6.817 399 HD13 LEU 69 HD13 LEU 69 14.999 0.082 -6.953 400 HD21 LEU 69 HD21 LEU 69 14.556 2.289 -5.686 401 HD22 LEU 69 HD22 LEU 69 13.770 0.928 -4.885 402 HD23 LEU 69 HD23 LEU 69 12.870 2.415 -5.183 403 H ARG 70 H ARG 70 11.907 4.511 -10.047 404 HA ARG 70 HA ARG 70 14.226 6.288 -10.226 405 HB2 ARG 70 HB1 ARG 70 12.178 5.618 -12.352 406 HB3 ARG 70 HB2 ARG 70 13.716 6.463 -12.587 407 HG2 ARG 70 HG1 ARG 70 14.534 4.124 -11.425 408 HG3 ARG 70 HG2 ARG 70 13.158 3.604 -12.412 409 HD2 ARG 70 HD1 ARG 70 14.412 5.240 -14.169 410 HD3 ARG 70 HD2 ARG 70 15.791 4.644 -13.233 411 HE ARG 70 HE ARG 70 14.363 2.397 -13.837 412 HH11 ARG 70 HH11 ARG 70 15.771 4.992 -15.682 413 HH12 ARG 70 HH12 ARG 70 16.069 4.012 -17.080 414 HH21 ARG 70 HH21 ARG 70 14.750 1.096 -15.671 415 HH22 ARG 70 HH22 ARG 70 15.486 1.796 -17.072 416 H ARG 71 H ARG 71 11.479 6.605 -8.760 417 HA ARG 71 HA ARG 71 10.812 9.247 -9.876 418 HB2 ARG 71 HB1 ARG 71 9.201 7.220 -8.342 419 HB3 ARG 71 HB2 ARG 71 8.705 8.918 -8.412 420 HG2 ARG 71 HG1 ARG 71 9.151 7.163 -10.828 421 HG3 ARG 71 HG2 ARG 71 7.577 7.499 -10.088 422 HD2 ARG 71 HD1 ARG 71 8.323 10.013 -10.399 423 HD3 ARG 71 HD2 ARG 71 9.371 9.306 -11.637 424 HE ARG 71 HE ARG 71 6.517 9.610 -11.756 425 HH11 ARG 71 HH11 ARG 71 9.255 7.818 -12.943 426 HH12 ARG 71 HH12 ARG 71 8.471 7.341 -14.413 427 HH21 ARG 71 HH21 ARG 71 5.475 8.991 -13.688 428 HH22 ARG 71 HH22 ARG 71 6.321 8.011 -14.836 429 H ARG 72 H ARG 72 10.662 11.034 -8.524 430 HA ARG 72 HA ARG 72 12.388 10.987 -6.241 431 HB2 ARG 72 HB1 ARG 72 11.749 13.403 -6.043 432 HB3 ARG 72 HB2 ARG 72 12.416 12.945 -7.616 433 HG2 ARG 72 HG1 ARG 72 9.491 12.757 -7.447 434 HG3 ARG 72 HG2 ARG 72 10.148 14.391 -7.252 435 HD2 ARG 72 HD1 ARG 72 11.618 13.508 -9.362 436 HD3 ARG 72 HD2 ARG 72 10.095 12.642 -9.618 437 HE ARG 72 HE ARG 72 9.287 15.183 -9.160 438 HH11 ARG 72 HH11 ARG 72 11.605 13.760 -11.333 439 HH12 ARG 72 HH12 ARG 72 11.394 14.968 -12.557 440 HH21 ARG 72 HH21 ARG 72 9.000 16.780 -10.764 441 HH22 ARG 72 HH22 ARG 72 9.913 16.686 -12.232 442 H CYS 73 H CYS 73 11.835 11.571 -4.087 443 HA CYS 73 HA CYS 73 9.050 11.632 -3.310 444 HB2 CYS 73 HB1 CYS 73 9.061 9.690 -1.926 445 HB3 CYS 73 HB2 CYS 73 9.629 9.191 -3.520 446 H GLN 74 H GLN 74 8.743 12.212 -1.086 447 HA GLN 74 HA GLN 74 11.145 13.417 0.123 448 HB2 GLN 74 HB1 GLN 74 8.861 14.707 -0.742 449 HB3 GLN 74 HB2 GLN 74 8.585 14.522 0.997 450 HG2 GLN 74 HG1 GLN 74 9.977 16.178 1.469 451 HG3 GLN 74 HG2 GLN 74 11.265 15.417 0.527 452 HE21 GLN 74 HE21 GLN 74 8.156 16.962 -0.225 453 HE22 GLN 74 HE22 GLN 74 8.783 18.024 -1.434 454 H ARG 75 H ARG 75 8.368 11.405 0.591 455 HA ARG 75 HA ARG 75 9.236 10.915 3.361 456 HB2 ARG 75 HB1 ARG 75 6.425 11.173 2.284 457 HB3 ARG 75 HB2 ARG 75 6.790 10.409 3.840 458 HG2 ARG 75 HG1 ARG 75 7.482 12.399 4.820 459 HG3 ARG 75 HG2 ARG 75 7.753 13.177 3.251 460 HD2 ARG 75 HD1 ARG 75 4.982 12.283 3.784 461 HD3 ARG 75 HD2 ARG 75 5.581 13.615 4.784 462 HE ARG 75 HE ARG 75 6.244 14.329 2.232 463 HH11 ARG 75 HH11 ARG 75 3.296 13.453 3.864 464 HH12 ARG 75 HH12 ARG 75 2.290 14.434 2.850 465 HH21 ARG 75 HH21 ARG 75 4.930 15.624 0.891 466 HH22 ARG 75 HH22 ARG 75 3.221 15.667 1.159 467 H ASP 76 H ASP 76 9.409 8.818 3.974 468 HA ASP 76 HA ASP 76 9.599 6.821 1.995 469 HB2 ASP 76 HB1 ASP 76 10.461 7.104 4.598 470 HB3 ASP 76 HB2 ASP 76 9.240 5.832 4.731 471 HD2 ASP 76 HD ASP 76 11.148 3.636 2.765 472 H ALA 77 H ALA 77 6.945 7.997 3.801 473 HA ALA 77 HA ALA 77 5.339 5.643 3.775 474 HB1 ALA 77 HB1 ALA 77 3.622 7.843 3.867 475 HB2 ALA 77 HB2 ALA 77 4.241 6.911 5.231 476 HB3 ALA 77 HB3 ALA 77 5.092 8.359 4.695 477 H MET 78 H MET 78 5.519 8.519 1.701 478 HA MET 78 HA MET 78 3.427 7.665 -0.042 479 HB2 MET 78 HB1 MET 78 4.101 9.518 -1.468 480 HB3 MET 78 HB2 MET 78 4.038 10.035 0.223 481 HG2 MET 78 HG1 MET 78 6.343 10.202 0.413 482 HG3 MET 78 HG2 MET 78 6.623 9.131 -0.962 483 HE1 MET 78 HE1 MET 78 6.112 11.219 -4.048 484 HE2 MET 78 HE2 MET 78 6.051 9.623 -3.300 485 HE3 MET 78 HE3 MET 78 4.609 10.639 -3.331 486 H CYS 79 H CYS 79 6.794 6.991 0.207 487 HA CYS 79 HA CYS 79 7.370 6.319 -2.462 488 HB2 CYS 79 HB1 CYS 79 8.955 6.612 -0.432 489 HB3 CYS 79 HB2 CYS 79 8.610 4.911 -0.113 490 H CYS 80 H CYS 80 7.724 4.154 -3.340 491 HA CYS 80 HA CYS 80 5.430 2.560 -3.216 492 HB2 CYS 80 HB1 CYS 80 8.183 2.186 -4.347 493 HB3 CYS 80 HB2 CYS 80 7.064 0.823 -4.323 494 HA PRO 81 HA PRO 81 5.968 -0.168 0.175 495 HB2 PRO 81 HB1 PRO 81 5.006 -2.530 -0.823 496 HB3 PRO 81 HB2 PRO 81 3.982 -1.152 -0.429 497 HG2 PRO 81 HG1 PRO 81 5.098 -1.996 -3.081 498 HG3 PRO 81 HG2 PRO 81 3.427 -1.460 -2.666 499 HD2 PRO 81 HD1 PRO 81 5.234 0.174 -3.860 500 HD3 PRO 81 HD2 PRO 81 4.024 0.766 -2.709 501 H GLY 82 H GLY 82 7.905 -0.815 0.882 502 HA2 GLY 82 HA2 GLY 82 9.593 -2.447 1.113 503 HA3 GLY 82 HA3 GLY 82 9.261 -2.989 -0.525 504 HA1 GLY 82 HA1 GLY 82 9.529 -1.571 1.036 505 H THR 83 H THR 83 9.877 0.318 0.560 506 HA THR 83 HA THR 83 12.562 0.282 -0.540 507 HB THR 83 HB THR 83 12.076 2.276 -2.008 508 HG1 THR 83 HG1 THR 83 9.395 1.423 -2.075 509 HG21 THR 83 HG21 THR 83 10.501 -0.067 -3.000 510 HG22 THR 83 HG22 THR 83 12.231 -0.234 -2.702 511 HG23 THR 83 HG23 THR 83 11.648 0.958 -3.863 512 H LEU 84 H LEU 84 13.549 2.549 -0.376 513 HA LEU 84 HA LEU 84 12.446 3.989 1.940 514 HB2 LEU 84 HB1 LEU 84 14.346 2.449 2.539 515 HB3 LEU 84 HB2 LEU 84 15.377 3.455 1.509 516 HG LEU 84 HG LEU 84 14.372 5.348 3.141 517 HD11 LEU 84 HD11 LEU 84 13.301 3.223 4.343 518 HD12 LEU 84 HD12 LEU 84 13.840 4.650 5.229 519 HD13 LEU 84 HD13 LEU 84 14.876 3.224 5.140 520 HD21 LEU 84 HD21 LEU 84 16.692 3.689 4.059 521 HD22 LEU 84 HD22 LEU 84 16.490 5.441 4.095 522 HD23 LEU 84 HD23 LEU 84 16.776 4.617 2.561 523 H CYS 85 H CYS 85 12.729 6.202 1.957 524 HA CYS 85 HA CYS 85 13.238 7.409 -0.611 525 HB2 CYS 85 HB1 CYS 85 12.118 8.275 2.002 526 HB3 CYS 85 HB2 CYS 85 12.861 9.530 1.007 527 H VAL 86 H VAL 86 15.370 7.382 -1.126 528 HA VAL 86 HA VAL 86 17.232 8.636 0.784 529 HB VAL 86 HB VAL 86 17.858 6.673 -1.426 530 HG11 VAL 86 HG11 VAL 86 20.139 6.697 -0.495 531 HG12 VAL 86 HG12 VAL 86 19.662 8.268 -1.142 532 HG13 VAL 86 HG13 VAL 86 19.661 7.993 0.600 533 HG21 VAL 86 HG21 VAL 86 17.635 5.030 0.057 534 HG22 VAL 86 HG22 VAL 86 18.613 5.887 1.248 535 HG23 VAL 86 HG23 VAL 86 16.881 6.200 1.140 536 H ASN 87 H ASN 87 18.435 10.353 0.146 537 HA ASN 87 HA ASN 87 18.993 12.211 -1.046 538 HB2 ASN 87 HB1 ASN 87 19.890 10.046 -2.440 539 HB3 ASN 87 HB2 ASN 87 18.898 10.849 -3.662 540 HD21 ASN 87 HD21 ASN 87 20.265 11.841 -4.972 541 HD22 ASN 87 HD22 ASN 87 21.524 12.917 -4.485 542 H ASP 88 H ASP 88 16.215 11.806 -0.601 543 HA ASP 88 HA ASP 88 14.213 12.716 -1.185 544 HB2 ASP 88 HB1 ASP 88 16.047 14.570 -1.930 545 HB3 ASP 88 HB2 ASP 88 15.274 14.239 -3.487 546 HD2 ASP 88 HD ASP 88 12.930 16.550 -2.503 547 H VAL 89 H VAL 89 15.331 10.302 -2.541 548 HA VAL 89 HA VAL 89 13.346 10.191 -4.684 549 HB VAL 89 HB VAL 89 16.198 9.276 -5.083 550 HG11 VAL 89 HG11 VAL 89 15.474 8.852 -7.398 551 HG12 VAL 89 HG12 VAL 89 14.602 7.854 -6.231 552 HG13 VAL 89 HG13 VAL 89 13.822 9.268 -6.942 553 HG21 VAL 89 HG21 VAL 89 16.421 11.073 -6.669 554 HG22 VAL 89 HG22 VAL 89 14.744 11.558 -6.417 555 HG23 VAL 89 HG23 VAL 89 15.920 11.741 -5.116 556 H CYS 90 H CYS 90 12.512 8.141 -5.076 557 HA CYS 90 HA CYS 90 12.540 6.345 -2.890 558 HB2 CYS 90 HB1 CYS 90 11.317 6.395 -5.611 559 HB3 CYS 90 HB2 CYS 90 11.404 4.841 -4.782 560 H THR 91 H THR 91 14.307 5.217 -2.384 561 HA THR 91 HA THR 91 15.626 3.689 -4.530 562 HB THR 91 HB THR 91 16.970 4.977 -2.147 563 HG1 THR 91 HG1 THR 91 16.863 6.562 -3.606 564 HG21 THR 91 HG21 THR 91 17.720 2.699 -3.686 565 HG22 THR 91 HG22 THR 91 18.620 3.506 -2.401 566 HG23 THR 91 HG23 THR 91 18.819 4.022 -4.075 567 H THR 92 H THR 92 15.779 1.560 -4.201 568 HA THR 92 HA THR 92 14.419 0.214 -2.215 569 HB THR 92 HB THR 92 16.500 -1.521 -2.900 570 HG1 THR 92 HG1 THR 92 16.576 -1.177 -5.215 571 HG21 THR 92 HG21 THR 92 14.142 -2.106 -2.837 572 HG22 THR 92 HG22 THR 92 14.819 -2.510 -4.415 573 HG23 THR 92 HG23 THR 92 13.824 -1.066 -4.226 574 H MET 93 H MET 93 15.110 -1.012 -0.391 575 HA MET 93 HA MET 93 17.014 0.372 1.238 576 HB2 MET 93 HB1 MET 93 14.793 -1.111 1.764 577 HB3 MET 93 HB2 MET 93 16.074 -2.271 2.147 578 HG2 MET 93 HG1 MET 93 16.093 0.519 3.268 579 HG3 MET 93 HG2 MET 93 15.190 -0.792 4.031 580 HE1 MET 93 HE1 MET 93 18.298 0.829 5.374 581 HE2 MET 93 HE2 MET 93 16.629 0.436 5.789 582 HE3 MET 93 HE3 MET 93 17.954 -0.492 6.492 583 H GLU 94 H GLU 94 16.992 -2.584 -0.634 584 HA GLU 94 HA GLU 94 19.149 -3.943 0.429 585 HB2 GLU 94 HB1 GLU 94 18.422 -3.680 -2.498 586 HB3 GLU 94 HB2 GLU 94 19.435 -4.949 -1.791 587 HG2 GLU 94 HG1 GLU 94 17.544 -5.751 -0.470 588 HG3 GLU 94 HG2 GLU 94 16.529 -4.478 -1.164 589 HE2 GLU 94 HE GLU 94 16.125 -7.560 -3.090 590 H ASP 95 H ASP 95 19.132 -1.240 -1.841 591 HA ASP 95 HA ASP 95 22.033 -1.253 -2.024 592 HB2 ASP 95 HB1 ASP 95 19.846 0.367 -3.322 593 HB3 ASP 95 HB2 ASP 95 21.541 0.857 -3.438 594 HD2 ASP 95 HD ASP 95 21.833 -1.219 -6.134 595 H ALA 96 H ALA 96 19.497 1.005 -0.946 596 HA ALA 96 HA ALA 96 21.139 3.009 0.049 597 HB1 ALA 96 HB1 ALA 96 18.518 2.200 1.288 598 HB2 ALA 96 HB2 ALA 96 19.256 3.802 1.257 599 HB3 ALA 96 HB3 ALA 96 18.641 3.085 -0.232 600 H THR 97 H THR 97 21.763 3.547 2.211 601 HA THR 97 HA THR 97 21.802 1.383 4.165 602 HB THR 97 HB THR 97 24.399 2.406 4.316 603 HG1 THR 97 HG1 THR 97 25.168 2.471 2.302 604 HG21 THR 97 HG21 THR 97 23.296 0.014 4.542 605 HG22 THR 97 HG22 THR 97 25.015 0.199 4.190 606 HG23 THR 97 HG23 THR 97 23.882 -0.156 2.888 607 H GLU 98 H GLU 98 23.585 4.444 3.777 608 HA GLU 98 HA GLU 98 23.787 6.257 5.140 609 HB2 GLU 98 HB1 GLU 98 21.301 6.272 4.353 610 HB3 GLU 98 HB2 GLU 98 20.957 5.828 6.033 611 HG2 GLU 98 HG1 GLU 98 22.672 7.941 6.339 612 HG3 GLU 98 HG2 GLU 98 21.751 8.393 4.897 613 HE2 GLU 98 HE GLU 98 18.830 8.835 6.715 614 H ASN 99 H ASN 99 24.684 3.880 6.278 615 HA ASN 99 HA ASN 99 23.902 4.187 9.102 616 HB2 ASN 99 HB1 ASN 99 24.750 1.869 9.422 617 HB3 ASN 99 HB2 ASN 99 23.382 1.961 8.305 618 HD21 ASN 99 HD21 ASN 99 24.338 -0.210 7.790 619 HD22 ASN 99 HD22 ASN 99 25.520 -0.263 6.532 620 H LEU 100 H LEU 100 25.609 6.051 8.370 621 HA LEU 100 HA LEU 100 27.608 7.003 8.890 622 HB2 LEU 100 HB1 LEU 100 27.151 5.073 10.867 623 HB3 LEU 100 HB2 LEU 100 28.829 4.831 10.347 624 HG LEU 100 HG LEU 100 28.612 6.317 12.311 625 HD11 LEU 100 HD11 LEU 100 29.600 8.056 10.112 626 HD12 LEU 100 HD12 LEU 100 30.370 6.489 10.354 627 HD13 LEU 100 HD13 LEU 100 30.336 7.666 11.667 628 HD21 LEU 100 HD21 LEU 100 26.429 7.321 11.496 629 HD22 LEU 100 HD22 LEU 100 27.406 8.335 10.434 630 HD23 LEU 100 HD23 LEU 100 27.603 8.443 12.184 631 H TYR 101 H TYR 101 29.837 6.977 8.297 632 HA TYR 101 HA TYR 101 30.367 5.155 6.099 633 HB2 TYR 101 HB1 TYR 101 31.102 7.845 6.788 634 HB3 TYR 101 HB2 TYR 101 32.564 6.898 6.511 635 HD1 TYR 101 HD1 TYR 101 33.390 6.776 4.362 636 HD2 TYR 101 HD2 TYR 101 29.223 7.431 4.918 637 HE1 TYR 101 HE1 TYR 101 33.105 6.993 1.928 638 HE2 TYR 101 HE2 TYR 101 28.926 7.648 2.487 639 HH TYR 101 HH TYR 101 31.171 8.307 0.412 640 H PHE 102 H PHE 102 31.735 3.487 6.154 641 HA PHE 102 HA PHE 102 33.258 3.047 8.625 642 HB2 PHE 102 HB1 PHE 102 31.888 1.284 6.679 643 HB3 PHE 102 HB2 PHE 102 33.422 0.679 7.307 644 HD1 PHE 102 HD1 PHE 102 29.950 1.319 8.053 645 HD2 PHE 102 HD2 PHE 102 33.733 0.347 9.744 646 HE1 PHE 102 HE1 PHE 102 28.832 0.562 10.110 647 HE2 PHE 102 HE2 PHE 102 32.621 -0.413 11.804 648 HZ PHE 102 HZ PHE 102 30.168 -0.307 11.988 649 H GLN 103 H GLN 103 35.316 3.637 8.522 650 HA GLN 103 HA GLN 103 36.876 2.893 6.155 651 HB2 GLN 103 HB1 GLN 103 36.771 5.620 7.448 652 HB3 GLN 103 HB2 GLN 103 38.106 5.105 6.406 653 HG2 GLN 103 HG1 GLN 103 35.752 4.526 4.985 654 HG3 GLN 103 HG2 GLN 103 35.534 6.135 5.686 655 HE21 GLN 103 HE21 GLN 103 37.932 7.268 5.614 656 HE22 GLN 103 HE22 GLN 103 38.529 7.386 3.998 657 H SER 104 H SER 104 39.326 3.511 6.721 658 HA SER 104 HA SER 104 40.010 3.075 9.490 659 HB2 SER 104 HB1 SER 104 39.903 0.857 7.579 660 HB3 SER 104 HB2 SER 104 41.493 1.036 8.343 661 HG SER 104 HG SER 104 40.671 0.530 10.241 662 H LEU 105 H LEU 105 41.127 5.026 9.247 663 HA LEU 105 HA LEU 105 43.304 5.130 7.306 664 HB2 LEU 105 HB1 LEU 105 41.739 7.081 8.852 665 HB3 LEU 105 HB2 LEU 105 43.469 7.449 8.731 666 HG LEU 105 HG LEU 105 42.058 8.556 7.006 667 HD11 LEU 105 HD11 LEU 105 44.520 7.204 6.709 668 HD12 LEU 105 HD12 LEU 105 43.937 8.621 5.836 669 HD13 LEU 105 HD13 LEU 105 43.623 7.006 5.203 670 HD21 LEU 105 HD21 LEU 105 41.835 5.939 5.595 671 HD22 LEU 105 HD22 LEU 105 40.878 7.408 5.403 672 HD23 LEU 105 HD23 LEU 105 40.629 6.370 6.808 673 H GLU 106 H GLU 106 45.471 5.612 7.930 674 HA GLU 106 HA GLU 106 46.134 5.126 10.743 675 HB2 GLU 106 HB1 GLU 106 47.329 3.662 8.379 676 HB3 GLU 106 HB2 GLU 106 47.990 3.615 10.022 677 HG2 GLU 106 HG1 GLU 106 46.701 1.859 10.417 678 HG3 GLU 106 HG2 GLU 106 45.310 2.950 10.326 679 HE2 GLU 106 HE GLU 106 44.226 0.987 7.727 680 H HIS 107 H HIS 107 47.539 6.572 11.481 681 HA HIS 107 HA HIS 107 48.784 8.427 9.646 682 HB2 HIS 107 HB1 HIS 107 47.990 8.432 12.406 683 HB3 HIS 107 HB2 HIS 107 49.693 8.884 12.294 684 HD1 HIS 107 HD1 HIS 107 49.568 11.356 12.665 685 HD2 HIS 107 HD2 HIS 107 46.917 10.054 9.743 686 HE1 HIS 107 HE1 HIS 107 48.612 13.446 11.644 687 HE2 HIS 107 HE2 HIS 107 46.991 12.651 9.859 688 H HIS 108 H HIS 108 51.135 9.124 10.478 689 HA HIS 108 HA HIS 108 52.754 6.679 10.727 690 HB2 HIS 108 HB1 HIS 108 53.280 9.031 8.892 691 HB3 HIS 108 HB2 HIS 108 54.400 7.691 9.163 692 HD1 HIS 108 HD1 HIS 108 53.965 5.499 7.946 693 HD2 HIS 108 HD2 HIS 108 50.977 8.326 7.360 694 HE1 HIS 108 HE1 HIS 108 52.527 4.585 6.097 695 HE2 HIS 108 HE2 HIS 108 50.701 6.312 5.737 696 H HIS 109 H HIS 109 54.021 6.745 12.451 697 HA HIS 109 HA HIS 109 55.552 9.063 13.138 698 HB2 HIS 109 HB1 HIS 109 54.629 9.382 15.396 699 HB3 HIS 109 HB2 HIS 109 53.434 9.735 14.145 700 HD1 HIS 109 HD1 HIS 109 54.057 7.523 17.031 701 HD2 HIS 109 HD2 HIS 109 51.351 7.789 13.889 702 HE1 HIS 109 HE1 HIS 109 52.152 6.002 17.653 703 HE2 HIS 109 HE2 HIS 109 50.499 6.165 15.732 704 H HIS 110 H HIS 110 57.430 8.351 13.892 705 HA HIS 110 HA HIS 110 57.614 6.212 15.793 706 HB2 HIS 110 HB1 HIS 110 59.016 4.727 14.420 707 HB3 HIS 110 HB2 HIS 110 57.386 4.881 13.760 708 HD1 HIS 110 HD1 HIS 110 60.937 5.842 13.043 709 HD2 HIS 110 HD2 HIS 110 57.197 6.068 11.249 710 HE1 HIS 110 HE1 HIS 110 61.373 6.529 10.664 711 HE2 HIS 110 HE2 HIS 110 59.087 6.669 9.566 712 H HIS 111 H HIS 111 59.947 5.737 16.329 713 HA HIS 111 HA HIS 111 61.494 8.228 16.110 714 HB2 HIS 111 HB1 HIS 111 60.747 6.707 18.346 715 HB3 HIS 111 HB2 HIS 111 62.470 6.387 18.121 716 HD1 HIS 111 HD1 HIS 111 60.591 8.442 20.114 717 HD2 HIS 111 HD2 HIS 111 63.682 9.247 17.457 718 HE1 HIS 111 HE1 HIS 111 61.537 10.658 20.834 719 HE2 HIS 111 HE2 HIS 111 63.425 11.152 19.211 720 H HIS 112 H HIS 112 62.971 8.089 14.549 721 HA HIS 112 HA HIS 112 64.696 7.346 13.266 722 HB2 HIS 112 HB1 HIS 112 65.461 6.908 15.800 723 HB3 HIS 112 HB2 HIS 112 65.464 5.241 15.218 724 HD1 HIS 112 HD1 HIS 112 66.451 6.069 12.271 725 HD2 HIS 112 HD2 HIS 112 68.255 7.040 15.885 726 HE1 HIS 112 HE1 HIS 112 68.862 6.526 11.718 727 HE2 HIS 112 HE2 HIS 112 69.964 7.121 13.927 Start of MODEL 36 1 H1 MET 18 H MET 18 -46.987 -29.752 -35.006 2 HA MET 18 HA MET 18 -44.864 -31.147 -34.968 3 HB2 MET 18 HB1 MET 18 -43.762 -28.357 -34.552 4 HB3 MET 18 HB2 MET 18 -42.839 -29.856 -34.370 5 HG2 MET 18 HG1 MET 18 -42.928 -30.336 -36.675 6 HG3 MET 18 HG2 MET 18 -44.199 -29.140 -36.943 7 HE1 MET 18 HE1 MET 18 -40.526 -28.331 -34.965 8 HE2 MET 18 HE2 MET 18 -40.749 -29.857 -35.819 9 HE3 MET 18 HE3 MET 18 -39.739 -28.593 -36.521 10 H LEU 19 H LEU 19 -43.609 -31.417 -32.864 11 HA LEU 19 HA LEU 19 -45.475 -31.000 -30.679 12 HB2 LEU 19 HB1 LEU 19 -42.999 -32.653 -31.069 13 HB3 LEU 19 HB2 LEU 19 -43.659 -32.377 -29.448 14 HG LEU 19 HG LEU 19 -45.866 -33.303 -30.457 15 HD11 LEU 19 HD11 LEU 19 -43.832 -34.017 -32.518 16 HD12 LEU 19 HD12 LEU 19 -45.509 -33.511 -32.718 17 HD13 LEU 19 HD13 LEU 19 -45.142 -35.144 -32.162 18 HD21 LEU 19 HD21 LEU 19 -43.531 -35.155 -29.998 19 HD22 LEU 19 HD22 LEU 19 -45.242 -35.536 -29.804 20 HD23 LEU 19 HD23 LEU 19 -44.467 -34.379 -28.721 21 H VAL 20 H VAL 20 -44.875 -30.095 -28.651 22 HA VAL 20 HA VAL 20 -42.756 -28.066 -28.887 23 HB VAL 20 HB VAL 20 -45.113 -28.070 -26.998 24 HG11 VAL 20 HG11 VAL 20 -44.395 -25.553 -26.992 25 HG12 VAL 20 HG12 VAL 20 -43.562 -26.722 -25.964 26 HG13 VAL 20 HG13 VAL 20 -42.836 -26.208 -27.487 27 HG21 VAL 20 HG21 VAL 20 -44.741 -26.956 -29.737 28 HG22 VAL 20 HG22 VAL 20 -46.159 -27.712 -29.013 29 HG23 VAL 20 HG23 VAL 20 -45.720 -26.063 -28.575 30 H LEU 21 H LEU 21 -41.074 -28.079 -27.522 31 HA LEU 21 HA LEU 21 -40.895 -30.243 -25.588 32 HB2 LEU 21 HB1 LEU 21 -38.773 -28.206 -26.252 33 HB3 LEU 21 HB2 LEU 21 -38.566 -29.804 -25.514 34 HG LEU 21 HG LEU 21 -39.447 -29.343 -28.363 35 HD11 LEU 21 HD11 LEU 21 -36.992 -28.755 -27.474 36 HD12 LEU 21 HD12 LEU 21 -37.303 -29.442 -29.068 37 HD13 LEU 21 HD13 LEU 21 -36.797 -30.487 -27.740 38 HD21 LEU 21 HD21 LEU 21 -38.497 -31.850 -26.981 39 HD22 LEU 21 HD22 LEU 21 -39.057 -31.702 -28.648 40 HD23 LEU 21 HD23 LEU 21 -40.186 -31.462 -27.312 41 H ASP 22 H ASP 22 -40.377 -29.951 -23.397 42 HA ASP 22 HA ASP 22 -41.629 -27.695 -22.177 43 HB2 ASP 22 HB1 ASP 22 -41.120 -28.744 -20.075 44 HB3 ASP 22 HB2 ASP 22 -41.618 -30.002 -21.210 45 HD2 ASP 22 HD ASP 22 -38.174 -30.392 -19.535 46 H PHE 23 H PHE 23 -40.745 -25.957 -21.143 47 HA PHE 23 HA PHE 23 -37.825 -25.721 -21.067 48 HB2 PHE 23 HB1 PHE 23 -39.749 -23.888 -22.479 49 HB3 PHE 23 HB2 PHE 23 -38.233 -23.260 -21.829 50 HD1 PHE 23 HD1 PHE 23 -36.056 -24.376 -22.564 51 HD2 PHE 23 HD2 PHE 23 -39.769 -24.926 -24.571 52 HE1 PHE 23 HE1 PHE 23 -34.853 -25.120 -24.577 53 HE2 PHE 23 HE2 PHE 23 -38.572 -25.672 -26.588 54 HZ PHE 23 HZ PHE 23 -36.112 -25.771 -26.592 55 H ASN 24 H ASN 24 -37.020 -24.325 -19.481 56 HA ASN 24 HA ASN 24 -39.011 -23.482 -17.480 57 HB2 ASN 24 HB1 ASN 24 -37.059 -23.668 -15.851 58 HB3 ASN 24 HB2 ASN 24 -37.692 -25.188 -16.496 59 HD21 ASN 24 HD21 ASN 24 -36.185 -26.581 -17.008 60 HD22 ASN 24 HD22 ASN 24 -34.612 -26.212 -17.621 61 H ASN 25 H ASN 25 -38.314 -21.627 -16.108 62 HA ASN 25 HA ASN 25 -36.834 -19.658 -17.727 63 HB2 ASN 25 HB1 ASN 25 -39.346 -19.460 -16.122 64 HB3 ASN 25 HB2 ASN 25 -38.283 -18.049 -16.176 65 HD21 ASN 25 HD21 ASN 25 -40.740 -17.779 -17.187 66 HD22 ASN 25 HD22 ASN 25 -40.693 -17.691 -18.912 67 H ILE 26 H ILE 26 -36.095 -17.751 -16.242 68 HA ILE 26 HA ILE 26 -35.164 -18.686 -13.638 69 HB ILE 26 HB ILE 26 -33.363 -19.332 -15.152 70 HG12 ILE 26 HG11 ILE 26 -31.514 -18.033 -14.103 71 HG13 ILE 26 HG12 ILE 26 -32.724 -16.917 -13.445 72 HG21 ILE 26 HG21 ILE 26 -33.945 -17.553 -16.859 73 HG22 ILE 26 HG22 ILE 26 -33.024 -16.431 -15.858 74 HG23 ILE 26 HG23 ILE 26 -32.226 -17.831 -16.574 75 HD11 ILE 26 HD11 ILE 26 -33.638 -18.571 -12.035 76 HD12 ILE 26 HD12 ILE 26 -32.748 -19.858 -12.848 77 HD13 ILE 26 HD13 ILE 26 -31.886 -18.677 -11.860 78 H ARG 27 H ARG 27 -35.252 -17.121 -12.156 79 HA ARG 27 HA ARG 27 -36.399 -14.650 -12.602 80 HB2 ARG 27 HB1 ARG 27 -34.622 -15.683 -10.402 81 HB3 ARG 27 HB2 ARG 27 -35.247 -14.027 -10.376 82 HG2 ARG 27 HG1 ARG 27 -37.562 -14.986 -10.572 83 HG3 ARG 27 HG2 ARG 27 -36.832 -16.580 -10.316 84 HD2 ARG 27 HD1 ARG 27 -37.117 -16.203 -8.126 85 HD3 ARG 27 HD2 ARG 27 -35.752 -15.088 -8.277 86 HE ARG 27 HE ARG 27 -37.193 -13.344 -7.976 87 HH11 ARG 27 HH11 ARG 27 -39.019 -16.169 -8.873 88 HH12 ARG 27 HH12 ARG 27 -40.558 -15.417 -8.614 89 HH21 ARG 27 HH21 ARG 27 -39.214 -12.343 -7.631 90 HH22 ARG 27 HH22 ARG 27 -40.668 -13.240 -7.909 91 H SER 28 H SER 28 -35.619 -12.542 -12.779 92 HA SER 28 HA SER 28 -32.866 -11.876 -12.848 93 HB2 SER 28 HB1 SER 28 -33.784 -13.113 -15.194 94 HB3 SER 28 HB2 SER 28 -33.740 -11.381 -15.568 95 HG SER 28 HG SER 28 -31.712 -12.962 -15.605 96 H SER 29 H SER 29 -32.940 -9.888 -12.061 97 HA SER 29 HA SER 29 -34.542 -7.857 -13.352 98 HB2 SER 29 HB1 SER 29 -36.093 -7.464 -11.747 99 HB3 SER 29 HB2 SER 29 -35.761 -9.143 -11.282 100 HG SER 29 HG SER 29 -35.598 -7.304 -9.642 101 H ALA 30 H ALA 30 -33.385 -6.052 -13.457 102 HA ALA 30 HA ALA 30 -31.247 -5.646 -11.467 103 HB1 ALA 30 HB1 ALA 30 -31.250 -5.447 -14.406 104 HB2 ALA 30 HB2 ALA 30 -30.395 -4.165 -13.548 105 HB3 ALA 30 HB3 ALA 30 -29.942 -5.850 -13.293 106 H ASP 31 H ASP 31 -31.115 -3.715 -10.450 107 HA ASP 31 HA ASP 31 -32.590 -1.419 -11.440 108 HB2 ASP 31 HB1 ASP 31 -33.877 -3.100 -9.675 109 HB3 ASP 31 HB2 ASP 31 -33.174 -1.881 -8.604 110 HD2 ASP 31 HD ASP 31 -36.437 -0.866 -10.165 111 H LEU 32 H LEU 32 -30.935 -0.026 -11.479 112 HA LEU 32 HA LEU 32 -29.695 0.712 -8.964 113 HB2 LEU 32 HB1 LEU 32 -28.374 -1.031 -10.731 114 HB3 LEU 32 HB2 LEU 32 -27.621 0.559 -10.952 115 HG LEU 32 HG LEU 32 -27.906 -0.085 -8.144 116 HD11 LEU 32 HD11 LEU 32 -26.096 -1.922 -9.684 117 HD12 LEU 32 HD12 LEU 32 -27.715 -2.395 -9.169 118 HD13 LEU 32 HD13 LEU 32 -26.499 -1.962 -7.967 119 HD21 LEU 32 HD21 LEU 32 -26.366 1.542 -9.560 120 HD22 LEU 32 HD22 LEU 32 -25.288 0.147 -9.527 121 HD23 LEU 32 HD23 LEU 32 -25.841 0.870 -8.016 122 H HIS 33 H HIS 33 -29.314 2.850 -8.855 123 HA HIS 33 HA HIS 33 -28.807 4.442 -11.194 124 HB2 HIS 33 HB1 HIS 33 -31.436 4.010 -10.774 125 HB3 HIS 33 HB2 HIS 33 -31.196 5.413 -9.729 126 HD1 HIS 33 HD1 HIS 33 -32.526 4.947 -12.808 127 HD2 HIS 33 HD2 HIS 33 -29.327 7.286 -11.559 128 HE1 HIS 33 HE1 HIS 33 -32.263 6.723 -14.569 129 HE2 HIS 33 HE2 HIS 33 -30.310 8.154 -13.807 130 H GLY 34 H GLY 34 -27.207 5.689 -10.488 131 HA2 GLY 34 HA2 GLY 34 -27.550 7.575 -8.412 132 HA3 GLY 34 HA3 GLY 34 -26.602 6.221 -7.816 133 HA1 GLY 34 HA1 GLY 34 -27.414 7.528 -9.283 134 H ALA 35 H ALA 35 -26.018 9.141 -8.473 135 HA ALA 35 HA ALA 35 -23.351 8.780 -9.301 136 HB1 ALA 35 HB1 ALA 35 -24.829 10.254 -11.426 137 HB2 ALA 35 HB2 ALA 35 -23.290 9.396 -11.508 138 HB3 ALA 35 HB3 ALA 35 -24.803 8.491 -11.467 139 H ARG 36 H ARG 36 -22.125 10.652 -9.079 140 HA ARG 36 HA ARG 36 -23.162 13.263 -8.958 141 HB2 ARG 36 HB1 ARG 36 -23.689 11.731 -6.643 142 HB3 ARG 36 HB2 ARG 36 -22.390 12.857 -6.221 143 HG2 ARG 36 HG1 ARG 36 -23.790 14.575 -6.112 144 HG3 ARG 36 HG2 ARG 36 -24.461 14.197 -7.708 145 HD2 ARG 36 HD1 ARG 36 -26.054 12.685 -6.801 146 HD3 ARG 36 HD2 ARG 36 -25.239 12.683 -5.230 147 HE ARG 36 HE ARG 36 -26.070 15.302 -5.851 148 HH11 ARG 36 HH11 ARG 36 -27.355 12.198 -4.935 149 HH12 ARG 36 HH12 ARG 36 -28.749 12.862 -4.149 150 HH21 ARG 36 HH21 ARG 36 -27.901 16.187 -4.818 151 HH22 ARG 36 HH22 ARG 36 -29.059 15.131 -4.083 152 H LYS 37 H LYS 37 -21.522 14.675 -7.513 153 HA LYS 37 HA LYS 37 -18.813 13.694 -8.139 154 HB2 LYS 37 HB1 LYS 37 -19.815 16.547 -8.305 155 HB3 LYS 37 HB2 LYS 37 -18.171 15.998 -8.663 156 HG2 LYS 37 HG1 LYS 37 -18.705 15.444 -10.748 157 HG3 LYS 37 HG2 LYS 37 -20.127 14.535 -10.206 158 HD2 LYS 37 HD1 LYS 37 -21.258 16.142 -11.327 159 HD3 LYS 37 HD2 LYS 37 -21.011 17.054 -9.828 160 HE2 LYS 37 HE1 LYS 37 -19.403 18.409 -10.734 161 HE3 LYS 37 HE2 LYS 37 -18.859 17.165 -11.869 162 HZ1 LYS 37 HZ1 LYS 37 -19.922 18.762 -13.175 163 HZ2 LYS 37 HZ2 LYS 37 -21.215 18.936 -12.100 164 HZ3 LYS 37 HZ3 LYS 37 -21.068 17.528 -13.026 165 H GLY 38 H GLY 38 -17.359 13.745 -6.530 166 HA2 GLY 38 HA2 GLY 38 -17.677 15.582 -4.302 167 HA3 GLY 38 HA3 GLY 38 -17.865 13.880 -3.905 168 HA1 GLY 38 HA1 GLY 38 -17.171 15.550 -5.021 169 H SER 39 H SER 39 -16.088 12.601 -3.701 170 HA SER 39 HA SER 39 -13.481 13.731 -4.429 171 HB2 SER 39 HB1 SER 39 -12.531 13.095 -2.254 172 HB3 SER 39 HB2 SER 39 -13.847 14.267 -2.055 173 HG SER 39 HG SER 39 -13.762 12.224 -0.686 174 H GLN 40 H GLN 40 -11.959 12.252 -5.049 175 HA GLN 40 HA GLN 40 -12.813 9.772 -6.022 176 HB2 GLN 40 HB1 GLN 40 -10.876 11.005 -6.910 177 HB3 GLN 40 HB2 GLN 40 -9.989 10.664 -5.415 178 HG2 GLN 40 HG1 GLN 40 -9.272 8.746 -6.243 179 HG3 GLN 40 HG2 GLN 40 -10.943 8.200 -6.440 180 HE21 GLN 40 HE21 GLN 40 -11.244 7.437 -8.398 181 HE22 GLN 40 HE22 GLN 40 -10.638 8.118 -9.865 182 H CYS 41 H CYS 41 -10.645 10.444 -3.269 183 HA CYS 41 HA CYS 41 -11.689 8.058 -1.935 184 HB2 CYS 41 HB1 CYS 41 -9.493 7.226 -1.382 185 HB3 CYS 41 HB2 CYS 41 -9.620 7.387 -3.134 186 H LEU 42 H LEU 42 -11.752 8.192 0.276 187 HA LEU 42 HA LEU 42 -11.375 10.839 1.391 188 HB2 LEU 42 HB1 LEU 42 -12.819 8.371 2.134 189 HB3 LEU 42 HB2 LEU 42 -12.194 9.338 3.482 190 HG LEU 42 HG LEU 42 -13.418 11.310 2.385 191 HD11 LEU 42 HD11 LEU 42 -13.849 9.521 0.369 192 HD12 LEU 42 HD12 LEU 42 -14.775 10.997 0.638 193 HD13 LEU 42 HD13 LEU 42 -15.373 9.456 1.255 194 HD21 LEU 42 HD21 LEU 42 -15.380 9.282 3.313 195 HD22 LEU 42 HD22 LEU 42 -15.176 10.967 3.796 196 HD23 LEU 42 HD23 LEU 42 -14.072 9.732 4.408 197 H SER 43 H SER 43 -9.808 7.751 1.433 198 HA SER 43 HA SER 43 -7.528 8.846 2.782 199 HB2 SER 43 HB1 SER 43 -7.614 7.809 4.822 200 HB3 SER 43 HB2 SER 43 -9.356 7.980 4.538 201 HG SER 43 HG SER 43 -8.506 5.812 5.151 202 H ASP 44 H ASP 44 -5.732 7.301 2.890 203 HA ASP 44 HA ASP 44 -5.348 5.929 0.509 204 HB2 ASP 44 HB1 ASP 44 -3.456 4.758 1.815 205 HB3 ASP 44 HB2 ASP 44 -3.396 6.520 1.665 206 HD2 ASP 44 HD ASP 44 -4.153 4.995 5.250 207 H THR 45 H THR 45 -6.842 4.890 3.457 208 HA THR 45 HA THR 45 -6.626 2.099 3.116 209 HB THR 45 HB THR 45 -8.954 3.459 4.462 210 HG1 THR 45 HG1 THR 45 -6.266 3.189 5.317 211 HG21 THR 45 HG21 THR 45 -8.950 1.512 5.886 212 HG22 THR 45 HG22 THR 45 -7.474 0.913 5.128 213 HG23 THR 45 HG23 THR 45 -8.975 0.985 4.205 214 H ASP 46 H ASP 46 -8.668 4.480 1.653 215 HA ASP 46 HA ASP 46 -10.762 2.759 0.815 216 HB2 ASP 46 HB1 ASP 46 -10.329 5.477 0.779 217 HB3 ASP 46 HB2 ASP 46 -10.207 5.049 -0.933 218 HD2 ASP 46 HD ASP 46 -13.590 4.562 -1.202 219 H CYS 47 H CYS 47 -7.599 3.480 -0.424 220 HA CYS 47 HA CYS 47 -8.175 2.066 -2.926 221 HB2 CYS 47 HB1 CYS 47 -6.254 4.120 -2.078 222 HB3 CYS 47 HB2 CYS 47 -5.539 2.845 -3.067 223 H ASN 48 H ASN 48 -6.153 0.733 -3.691 224 HA ASN 48 HA ASN 48 -6.012 -1.575 -2.185 225 HB2 ASN 48 HB1 ASN 48 -4.870 -0.597 -4.603 226 HB3 ASN 48 HB2 ASN 48 -3.568 -1.319 -3.649 227 HD21 ASN 48 HD21 ASN 48 -3.262 -3.401 -3.907 228 HD22 ASN 48 HD22 ASN 48 -4.436 -4.547 -4.450 229 H THR 49 H THR 49 -4.070 -2.565 -1.176 230 HA THR 49 HA THR 49 -3.125 -0.939 0.945 231 HB THR 49 HB THR 49 -3.422 -3.313 1.302 232 HG1 THR 49 HG1 THR 49 -1.865 -2.694 2.664 233 HG21 THR 49 HG21 THR 49 -1.090 -4.307 -0.080 234 HG22 THR 49 HG22 THR 49 -2.231 -3.580 -1.212 235 HG23 THR 49 HG23 THR 49 -2.757 -4.878 -0.142 236 H ARG 50 H ARG 50 -1.877 -1.732 -2.191 237 HA ARG 50 HA ARG 50 0.743 -0.604 -1.514 238 HB2 ARG 50 HB1 ARG 50 1.431 -1.450 -3.754 239 HB3 ARG 50 HB2 ARG 50 0.871 -2.717 -2.654 240 HG2 ARG 50 HG1 ARG 50 -1.381 -1.801 -4.122 241 HG3 ARG 50 HG2 ARG 50 -0.057 -2.099 -5.260 242 HD2 ARG 50 HD1 ARG 50 0.267 -4.334 -4.052 243 HD3 ARG 50 HD2 ARG 50 -1.312 -4.017 -3.319 244 HE ARG 50 HE ARG 50 -1.580 -3.712 -6.080 245 HH11 ARG 50 HH11 ARG 50 -0.902 -6.217 -3.759 246 HH12 ARG 50 HH12 ARG 50 -1.584 -7.480 -4.728 247 HH21 ARG 50 HH21 ARG 50 -2.484 -5.366 -7.364 248 HH22 ARG 50 HH22 ARG 50 -2.484 -6.996 -6.780 249 H LYS 51 H LYS 51 -1.734 0.978 -1.825 250 HA LYS 51 HA LYS 51 -0.737 2.812 -3.891 251 HB2 LYS 51 HB1 LYS 51 -3.324 1.454 -3.803 252 HB3 LYS 51 HB2 LYS 51 -3.475 3.214 -3.921 253 HG2 LYS 51 HG1 LYS 51 -2.693 3.288 -6.033 254 HG3 LYS 51 HG2 LYS 51 -1.518 1.993 -5.746 255 HD2 LYS 51 HD1 LYS 51 -2.939 0.359 -6.400 256 HD3 LYS 51 HD2 LYS 51 -4.345 1.164 -5.680 257 HE2 LYS 51 HE1 LYS 51 -4.105 2.872 -7.602 258 HE3 LYS 51 HE2 LYS 51 -3.068 1.649 -8.353 259 HZ1 LYS 51 HZ1 LYS 51 -4.824 0.144 -8.510 260 HZ2 LYS 51 HZ2 LYS 51 -5.521 1.622 -8.946 261 HZ3 LYS 51 HZ3 LYS 51 -5.787 0.985 -7.402 262 H PHE 52 H PHE 52 -1.217 5.027 -3.534 263 HA PHE 52 HA PHE 52 -2.085 5.647 -0.788 264 HB2 PHE 52 HB1 PHE 52 -0.495 7.568 -0.847 265 HB3 PHE 52 HB2 PHE 52 0.298 5.993 -0.908 266 HD1 PHE 52 HD1 PHE 52 -0.815 8.797 -3.062 267 HD2 PHE 52 HD2 PHE 52 1.769 5.444 -2.629 268 HE1 PHE 52 HE1 PHE 52 0.375 9.453 -5.115 269 HE2 PHE 52 HE2 PHE 52 2.963 6.094 -4.679 270 HZ PHE 52 HZ PHE 52 2.267 8.101 -5.924 271 H CYS 53 H CYS 53 -2.989 7.803 -0.493 272 HA CYS 53 HA CYS 53 -4.561 8.593 -2.835 273 HB2 CYS 53 HB1 CYS 53 -4.927 8.822 0.126 274 HB3 CYS 53 HB2 CYS 53 -5.727 9.999 -0.916 275 H LEU 54 H LEU 54 -3.163 9.902 -3.970 276 HA LEU 54 HA LEU 54 -1.626 11.968 -2.743 277 HB2 LEU 54 HB1 LEU 54 -1.351 10.706 -5.041 278 HB3 LEU 54 HB2 LEU 54 -2.356 12.042 -5.631 279 HG LEU 54 HG LEU 54 0.023 12.463 -6.000 280 HD11 LEU 54 HD11 LEU 54 -1.519 14.339 -5.615 281 HD12 LEU 54 HD12 LEU 54 0.116 14.689 -5.055 282 HD13 LEU 54 HD13 LEU 54 -1.144 14.276 -3.893 283 HD21 LEU 54 HD21 LEU 54 1.584 12.030 -4.483 284 HD22 LEU 54 HD22 LEU 54 0.323 11.339 -3.462 285 HD23 LEU 54 HD23 LEU 54 0.774 13.035 -3.281 286 H GLN 55 H GLN 55 -2.571 13.655 -1.799 287 HA GLN 55 HA GLN 55 -4.920 14.861 -3.097 288 HB2 GLN 55 HB1 GLN 55 -5.507 14.190 -0.905 289 HB3 GLN 55 HB2 GLN 55 -4.001 14.830 -0.229 290 HG2 GLN 55 HG1 GLN 55 -4.861 16.859 0.071 291 HG3 GLN 55 HG2 GLN 55 -5.560 16.883 -1.554 292 HE21 GLN 55 HE21 GLN 55 -7.646 17.260 -1.468 293 HE22 GLN 55 HE22 GLN 55 -8.758 16.606 -0.320 294 HA PRO 56 HA PRO 56 -1.617 17.917 -3.944 295 HB2 PRO 56 HB1 PRO 56 -2.745 18.806 -6.275 296 HB3 PRO 56 HB2 PRO 56 -1.720 17.374 -6.174 297 HG2 PRO 56 HG1 PRO 56 -4.713 17.575 -6.179 298 HG3 PRO 56 HG2 PRO 56 -3.644 16.447 -7.094 299 HD2 PRO 56 HD1 PRO 56 -4.969 15.706 -4.845 300 HD3 PRO 56 HD2 PRO 56 -3.373 15.066 -5.269 301 H ARG 57 H ARG 57 -1.632 20.148 -3.714 302 HA ARG 57 HA ARG 57 -4.001 21.248 -2.475 303 HB2 ARG 57 HB1 ARG 57 -2.590 23.216 -2.029 304 HB3 ARG 57 HB2 ARG 57 -1.827 21.715 -1.486 305 HG2 ARG 57 HG1 ARG 57 -0.950 22.106 -4.127 306 HG3 ARG 57 HG2 ARG 57 -0.848 23.680 -3.321 307 HD2 ARG 57 HD1 ARG 57 0.185 21.222 -1.944 308 HD3 ARG 57 HD2 ARG 57 1.157 22.027 -3.183 309 HE ARG 57 HE ARG 57 0.717 22.925 -0.518 310 HH11 ARG 57 HH11 ARG 57 1.238 24.021 -3.781 311 HH12 ARG 57 HH12 ARG 57 1.933 25.534 -3.301 312 HH21 ARG 57 HH21 ARG 57 1.629 24.913 0.127 313 HH22 ARG 57 HH22 ARG 57 2.155 26.040 -1.078 314 H ASP 58 H ASP 58 -2.376 21.418 -5.533 315 HA ASP 58 HA ASP 58 -3.883 23.760 -6.383 316 HB2 ASP 58 HB1 ASP 58 -1.398 23.082 -6.992 317 HB3 ASP 58 HB2 ASP 58 -2.204 22.151 -8.260 318 HD2 ASP 58 HD ASP 58 -2.629 24.952 -10.160 319 H GLU 59 H GLU 59 -4.037 20.322 -6.572 320 HA GLU 59 HA GLU 59 -6.318 20.544 -8.424 321 HB2 GLU 59 HB1 GLU 59 -3.939 19.094 -8.792 322 HB3 GLU 59 HB2 GLU 59 -5.175 17.895 -8.384 323 HG2 GLU 59 HG1 GLU 59 -6.292 18.164 -10.318 324 HG3 GLU 59 HG2 GLU 59 -5.978 19.904 -10.373 325 HE2 GLU 59 HE GLU 59 -3.266 17.500 -12.004 326 H LYS 60 H LYS 60 -7.547 18.243 -8.255 327 HA LYS 60 HA LYS 60 -8.525 18.187 -5.528 328 HB2 LYS 60 HB1 LYS 60 -9.483 17.273 -8.181 329 HB3 LYS 60 HB2 LYS 60 -10.010 16.316 -6.786 330 HG2 LYS 60 HG1 LYS 60 -11.584 17.802 -6.332 331 HG3 LYS 60 HG2 LYS 60 -10.348 19.060 -6.144 332 HD2 LYS 60 HD1 LYS 60 -10.661 19.893 -8.242 333 HD3 LYS 60 HD2 LYS 60 -11.086 18.309 -8.916 334 HE2 LYS 60 HE1 LYS 60 -13.138 19.340 -8.992 335 HE3 LYS 60 HE2 LYS 60 -13.212 18.588 -7.393 336 HZ1 LYS 60 HZ1 LYS 60 -12.583 20.668 -6.386 337 HZ2 LYS 60 HZ2 LYS 60 -13.935 20.913 -7.373 338 HZ3 LYS 60 HZ3 LYS 60 -12.402 21.400 -7.901 339 HA PRO 61 HA PRO 61 -6.587 14.496 -4.161 340 HB2 PRO 61 HB1 PRO 61 -8.587 13.257 -2.759 341 HB3 PRO 61 HB2 PRO 61 -7.764 14.713 -2.200 342 HG2 PRO 61 HG1 PRO 61 -10.384 14.442 -3.635 343 HG3 PRO 61 HG2 PRO 61 -9.969 15.453 -2.200 344 HD2 PRO 61 HD1 PRO 61 -10.154 16.476 -4.708 345 HD3 PRO 61 HD2 PRO 61 -9.003 17.086 -3.507 346 H PHE 62 H PHE 62 -6.053 12.658 -5.153 347 HA PHE 62 HA PHE 62 -8.118 10.930 -6.261 348 HB2 PHE 62 HB1 PHE 62 -7.208 10.825 -8.460 349 HB3 PHE 62 HB2 PHE 62 -7.406 12.536 -8.073 350 HD1 PHE 62 HD1 PHE 62 -5.256 13.606 -6.881 351 HD2 PHE 62 HD2 PHE 62 -5.234 10.237 -9.483 352 HE1 PHE 62 HE1 PHE 62 -2.886 14.022 -7.396 353 HE2 PHE 62 HE2 PHE 62 -2.864 10.648 -10.001 354 HZ PHE 62 HZ PHE 62 -1.687 12.543 -8.957 355 H CYS 63 H CYS 63 -7.064 8.876 -7.175 356 HA CYS 63 HA CYS 63 -5.050 8.007 -5.235 357 HB2 CYS 63 HB1 CYS 63 -7.322 6.818 -5.672 358 HB3 CYS 63 HB2 CYS 63 -6.524 6.179 -7.111 359 H ALA 64 H ALA 64 -3.012 8.131 -5.891 360 HA ALA 64 HA ALA 64 -2.396 7.701 -8.733 361 HB1 ALA 64 HB1 ALA 64 -0.126 8.681 -7.985 362 HB2 ALA 64 HB2 ALA 64 -1.511 9.763 -8.141 363 HB3 ALA 64 HB3 ALA 64 -1.005 9.202 -6.547 364 H THR 65 H THR 65 -1.346 5.931 -9.368 365 HA THR 65 HA THR 65 -0.927 3.717 -7.779 366 HB THR 65 HB THR 65 -0.966 3.401 -10.134 367 HG1 THR 65 HG1 THR 65 0.483 2.005 -8.974 368 HG21 THR 65 HG21 THR 65 0.810 4.289 -11.617 369 HG22 THR 65 HG22 THR 65 1.462 5.193 -10.250 370 HG23 THR 65 HG23 THR 65 -0.150 5.560 -10.863 371 H CYS 66 H CYS 66 1.088 2.643 -7.164 372 HA CYS 66 HA CYS 66 2.673 4.181 -5.481 373 HB2 CYS 66 HB1 CYS 66 2.318 1.598 -5.633 374 HB3 CYS 66 HB2 CYS 66 3.721 1.647 -6.700 375 H ARG 67 H ARG 67 5.023 4.541 -5.593 376 HA ARG 67 HA ARG 67 5.760 5.520 -8.254 377 HB2 ARG 67 HB1 ARG 67 6.809 6.144 -5.489 378 HB3 ARG 67 HB2 ARG 67 7.554 6.755 -6.973 379 HG2 ARG 67 HG1 ARG 67 5.161 7.646 -7.500 380 HG3 ARG 67 HG2 ARG 67 4.928 7.465 -5.753 381 HD2 ARG 67 HD1 ARG 67 7.090 8.800 -5.477 382 HD3 ARG 67 HD2 ARG 67 6.924 9.188 -7.194 383 HE ARG 67 HE ARG 67 5.438 10.316 -5.037 384 HH11 ARG 67 HH11 ARG 67 5.270 9.443 -8.403 385 HH12 ARG 67 HH12 ARG 67 4.050 10.614 -8.780 386 HH21 ARG 67 HH21 ARG 67 3.832 11.861 -5.520 387 HH22 ARG 67 HH22 ARG 67 3.233 11.989 -7.140 388 H GLY 68 H GLY 68 7.871 5.155 -9.107 389 HA2 GLY 68 HA2 GLY 68 8.912 2.524 -8.356 390 HA3 GLY 68 HA3 GLY 68 9.250 3.384 -9.852 391 HA1 GLY 68 HA1 GLY 68 8.924 3.175 -7.762 392 H LEU 69 H LEU 69 11.410 2.381 -8.903 393 HA LEU 69 HA LEU 69 12.732 3.778 -6.835 394 HB2 LEU 69 HB1 LEU 69 13.964 2.310 -9.172 395 HB3 LEU 69 HB2 LEU 69 14.751 2.712 -7.635 396 HG LEU 69 HG LEU 69 12.534 0.716 -8.074 397 HD11 LEU 69 HD11 LEU 69 15.400 0.413 -7.190 398 HD12 LEU 69 HD12 LEU 69 14.726 -0.075 -8.745 399 HD13 LEU 69 HD13 LEU 69 14.207 -0.884 -7.266 400 HD21 LEU 69 HD21 LEU 69 13.464 0.416 -5.496 401 HD22 LEU 69 HD22 LEU 69 11.931 1.149 -5.970 402 HD23 LEU 69 HD23 LEU 69 13.347 2.165 -5.688 403 H ARG 70 H ARG 70 12.221 4.464 -10.188 404 HA ARG 70 HA ARG 70 14.266 6.545 -10.219 405 HB2 ARG 70 HB1 ARG 70 12.371 5.554 -12.361 406 HB3 ARG 70 HB2 ARG 70 13.582 6.825 -12.597 407 HG2 ARG 70 HG1 ARG 70 15.053 4.740 -11.537 408 HG3 ARG 70 HG2 ARG 70 13.892 3.942 -12.612 409 HD2 ARG 70 HD1 ARG 70 15.368 6.368 -13.574 410 HD3 ARG 70 HD2 ARG 70 16.183 4.796 -13.542 411 HE ARG 70 HE ARG 70 13.699 4.492 -14.809 412 HH11 ARG 70 HH11 ARG 70 16.792 6.007 -15.320 413 HH12 ARG 70 HH12 ARG 70 16.703 5.905 -17.047 414 HH21 ARG 70 HH21 ARG 70 13.570 4.352 -17.082 415 HH22 ARG 70 HH22 ARG 70 14.870 4.964 -18.049 416 H ARG 71 H ARG 71 11.484 6.468 -8.785 417 HA ARG 71 HA ARG 71 10.483 9.033 -9.816 418 HB2 ARG 71 HB1 ARG 71 9.190 6.796 -8.275 419 HB3 ARG 71 HB2 ARG 71 8.478 8.416 -8.298 420 HG2 ARG 71 HG1 ARG 71 9.081 6.788 -10.768 421 HG3 ARG 71 HG2 ARG 71 7.502 6.875 -9.970 422 HD2 ARG 71 HD1 ARG 71 8.230 9.539 -10.281 423 HD3 ARG 71 HD2 ARG 71 8.776 8.760 -11.773 424 HE ARG 71 HE ARG 71 6.240 7.828 -11.440 425 HH11 ARG 71 HH11 ARG 71 7.679 10.995 -11.579 426 HH12 ARG 71 HH12 ARG 71 6.272 11.748 -12.254 427 HH21 ARG 71 HH21 ARG 71 4.382 8.807 -12.329 428 HH22 ARG 71 HH22 ARG 71 4.397 10.502 -12.679 429 H ARG 72 H ARG 72 10.060 10.749 -8.396 430 HA ARG 72 HA ARG 72 11.871 10.916 -6.176 431 HB2 ARG 72 HB1 ARG 72 9.776 12.858 -7.182 432 HB3 ARG 72 HB2 ARG 72 10.987 13.219 -5.942 433 HG2 ARG 72 HG1 ARG 72 12.153 12.173 -8.408 434 HG3 ARG 72 HG2 ARG 72 11.259 13.688 -8.626 435 HD2 ARG 72 HD1 ARG 72 12.610 14.337 -6.407 436 HD3 ARG 72 HD2 ARG 72 13.731 13.147 -7.082 437 HE ARG 72 HE ARG 72 13.203 15.779 -8.087 438 HH11 ARG 72 HH11 ARG 72 14.258 12.571 -8.930 439 HH12 ARG 72 HH12 ARG 72 15.162 13.090 -10.314 440 HH21 ARG 72 HH21 ARG 72 14.389 16.476 -9.906 441 HH22 ARG 72 HH22 ARG 72 15.236 15.312 -10.868 442 H CYS 73 H CYS 73 11.333 11.310 -3.996 443 HA CYS 73 HA CYS 73 8.567 10.849 -3.183 444 HB2 CYS 73 HB1 CYS 73 9.197 9.134 -1.560 445 HB3 CYS 73 HB2 CYS 73 9.587 8.620 -3.202 446 H GLN 74 H GLN 74 8.237 11.279 -0.851 447 HA GLN 74 HA GLN 74 10.147 13.302 0.118 448 HB2 GLN 74 HB1 GLN 74 7.146 13.192 0.189 449 HB3 GLN 74 HB2 GLN 74 8.039 14.154 1.378 450 HG2 GLN 74 HG1 GLN 74 9.176 15.293 -0.578 451 HG3 GLN 74 HG2 GLN 74 7.969 14.502 -1.602 452 HE21 GLN 74 HE21 GLN 74 5.676 14.870 -0.963 453 HE22 GLN 74 HE22 GLN 74 5.247 16.450 -0.409 454 H ARG 75 H ARG 75 8.312 10.463 0.864 455 HA ARG 75 HA ARG 75 9.651 10.325 3.470 456 HB2 ARG 75 HB1 ARG 75 7.049 11.011 3.364 457 HB3 ARG 75 HB2 ARG 75 6.892 9.249 3.354 458 HG2 ARG 75 HG1 ARG 75 8.571 9.410 5.380 459 HG3 ARG 75 HG2 ARG 75 7.905 11.047 5.491 460 HD2 ARG 75 HD1 ARG 75 5.596 9.815 5.299 461 HD3 ARG 75 HD2 ARG 75 6.534 8.417 5.840 462 HE ARG 75 HE ARG 75 7.137 10.486 7.579 463 HH11 ARG 75 HH11 ARG 75 4.329 8.665 6.621 464 HH12 ARG 75 HH12 ARG 75 3.539 8.828 8.154 465 HH21 ARG 75 HH21 ARG 75 6.106 10.708 9.602 466 HH22 ARG 75 HH22 ARG 75 4.550 9.991 9.848 467 H ASP 76 H ASP 76 9.608 8.098 4.384 468 HA ASP 76 HA ASP 76 10.298 6.209 2.320 469 HB2 ASP 76 HB1 ASP 76 11.730 6.164 4.196 470 HB3 ASP 76 HB2 ASP 76 10.373 6.139 5.330 471 HD2 ASP 76 HD ASP 76 10.627 2.740 5.463 472 H ALA 77 H ALA 77 7.574 6.858 4.352 473 HA ALA 77 HA ALA 77 6.372 4.268 4.129 474 HB1 ALA 77 HB1 ALA 77 5.914 5.855 5.987 475 HB2 ALA 77 HB2 ALA 77 5.038 6.873 4.844 476 HB3 ALA 77 HB3 ALA 77 4.460 5.245 5.196 477 H MET 78 H MET 78 5.893 7.397 2.522 478 HA MET 78 HA MET 78 3.731 6.632 0.903 479 HB2 MET 78 HB1 MET 78 4.138 8.608 -0.363 480 HB3 MET 78 HB2 MET 78 4.535 8.980 1.322 481 HG2 MET 78 HG1 MET 78 6.473 9.777 0.588 482 HG3 MET 78 HG2 MET 78 6.930 8.101 0.270 483 HE1 MET 78 HE1 MET 78 5.465 11.302 -2.537 484 HE2 MET 78 HE2 MET 78 4.185 10.110 -2.314 485 HE3 MET 78 HE3 MET 78 4.875 10.937 -0.916 486 H CYS 79 H CYS 79 7.104 5.950 0.690 487 HA CYS 79 HA CYS 79 7.054 5.266 -2.116 488 HB2 CYS 79 HB1 CYS 79 9.075 6.178 -0.926 489 HB3 CYS 79 HB2 CYS 79 9.194 4.636 -0.076 490 H CYS 80 H CYS 80 7.260 3.183 -2.983 491 HA CYS 80 HA CYS 80 5.670 1.198 -1.910 492 HB2 CYS 80 HB1 CYS 80 7.598 1.417 -4.108 493 HB3 CYS 80 HB2 CYS 80 7.455 -0.219 -3.464 494 HA PRO 81 HA PRO 81 7.973 -0.971 1.128 495 HB2 PRO 81 HB1 PRO 81 7.299 -3.579 0.634 496 HB3 PRO 81 HB2 PRO 81 6.186 -2.401 1.327 497 HG2 PRO 81 HG1 PRO 81 6.471 -3.301 -1.520 498 HG3 PRO 81 HG2 PRO 81 4.975 -3.075 -0.540 499 HD2 PRO 81 HD1 PRO 81 5.820 -1.253 -2.368 500 HD3 PRO 81 HD2 PRO 81 4.985 -0.795 -0.875 501 H GLY 82 H GLY 82 9.769 -2.374 1.521 502 HA2 GLY 82 HA2 GLY 82 11.724 -3.484 1.008 503 HA3 GLY 82 HA3 GLY 82 11.101 -3.731 -0.617 504 HA1 GLY 82 HA1 GLY 82 11.558 -2.628 1.143 505 H THR 83 H THR 83 11.175 -0.505 0.577 506 HA THR 83 HA THR 83 13.791 0.071 -0.546 507 HB THR 83 HB THR 83 12.570 2.022 -1.866 508 HG1 THR 83 HG1 THR 83 10.471 1.104 -1.111 509 HG21 THR 83 HG21 THR 83 13.664 -0.513 -2.538 510 HG22 THR 83 HG22 THR 83 13.571 0.939 -3.534 511 HG23 THR 83 HG23 THR 83 12.259 -0.237 -3.566 512 H LEU 84 H LEU 84 14.220 2.513 -0.407 513 HA LEU 84 HA LEU 84 12.822 3.700 1.887 514 HB2 LEU 84 HB1 LEU 84 15.657 2.932 1.660 515 HB3 LEU 84 HB2 LEU 84 15.365 4.568 2.276 516 HG LEU 84 HG LEU 84 13.641 3.021 3.773 517 HD11 LEU 84 HD11 LEU 84 16.262 1.549 3.595 518 HD12 LEU 84 HD12 LEU 84 14.772 1.009 2.821 519 HD13 LEU 84 HD13 LEU 84 14.856 1.135 4.577 520 HD21 LEU 84 HD21 LEU 84 16.454 3.649 4.613 521 HD22 LEU 84 HD22 LEU 84 14.984 3.650 5.588 522 HD23 LEU 84 HD23 LEU 84 15.245 4.912 4.383 523 H CYS 85 H CYS 85 13.127 6.027 2.083 524 HA CYS 85 HA CYS 85 13.312 7.269 -0.555 525 HB2 CYS 85 HB1 CYS 85 11.354 7.606 1.078 526 HB3 CYS 85 HB2 CYS 85 12.459 8.634 1.993 527 H VAL 86 H VAL 86 15.255 7.977 -1.130 528 HA VAL 86 HA VAL 86 16.812 9.526 0.824 529 HB VAL 86 HB VAL 86 18.045 7.560 -1.109 530 HG11 VAL 86 HG11 VAL 86 19.105 9.580 0.782 531 HG12 VAL 86 HG12 VAL 86 19.968 8.046 0.666 532 HG13 VAL 86 HG13 VAL 86 19.737 9.040 -0.773 533 HG21 VAL 86 HG21 VAL 86 17.628 7.323 1.870 534 HG22 VAL 86 HG22 VAL 86 16.839 6.356 0.623 535 HG23 VAL 86 HG23 VAL 86 18.578 6.214 0.882 536 H ASN 87 H ASN 87 17.766 11.341 0.042 537 HA ASN 87 HA ASN 87 18.118 13.109 -1.346 538 HB2 ASN 87 HB1 ASN 87 19.406 10.952 -2.439 539 HB3 ASN 87 HB2 ASN 87 18.405 11.495 -3.790 540 HD21 ASN 87 HD21 ASN 87 21.360 11.606 -3.150 541 HD22 ASN 87 HD22 ASN 87 21.792 13.251 -3.457 542 H ASP 88 H ASP 88 15.403 12.205 -1.007 543 HA ASP 88 HA ASP 88 13.322 12.682 -1.790 544 HB2 ASP 88 HB1 ASP 88 14.557 14.255 -4.042 545 HB3 ASP 88 HB2 ASP 88 13.036 14.549 -3.187 546 HD2 ASP 88 HD ASP 88 14.749 16.030 -0.478 547 H VAL 89 H VAL 89 14.919 10.417 -2.845 548 HA VAL 89 HA VAL 89 13.208 9.838 -5.148 549 HB VAL 89 HB VAL 89 16.194 9.374 -5.146 550 HG11 VAL 89 HG11 VAL 89 15.486 8.819 -7.645 551 HG12 VAL 89 HG12 VAL 89 15.492 7.591 -6.377 552 HG13 VAL 89 HG13 VAL 89 13.980 8.368 -6.845 553 HG21 VAL 89 HG21 VAL 89 16.290 10.975 -6.940 554 HG22 VAL 89 HG22 VAL 89 14.536 11.159 -6.926 555 HG23 VAL 89 HG23 VAL 89 15.493 11.721 -5.555 556 H CYS 90 H CYS 90 12.583 7.720 -5.323 557 HA CYS 90 HA CYS 90 12.788 6.106 -2.990 558 HB2 CYS 90 HB1 CYS 90 11.519 5.835 -5.683 559 HB3 CYS 90 HB2 CYS 90 11.729 4.379 -4.710 560 H THR 91 H THR 91 14.604 5.093 -2.450 561 HA THR 91 HA THR 91 16.166 3.781 -4.579 562 HB THR 91 HB THR 91 17.369 5.593 -3.359 563 HG1 THR 91 HG1 THR 91 18.552 3.112 -2.687 564 HG21 THR 91 HG21 THR 91 17.059 3.728 -1.003 565 HG22 THR 91 HG22 THR 91 16.355 5.337 -1.163 566 HG23 THR 91 HG23 THR 91 18.104 5.146 -1.047 567 H THR 92 H THR 92 17.447 1.858 -3.748 568 HA THR 92 HA THR 92 15.595 0.090 -2.363 569 HB THR 92 HB THR 92 17.073 -1.728 -3.068 570 HG1 THR 92 HG1 THR 92 19.079 -1.291 -3.549 571 HG21 THR 92 HG21 THR 92 15.408 -0.365 -4.657 572 HG22 THR 92 HG22 THR 92 16.339 -1.751 -5.223 573 HG23 THR 92 HG23 THR 92 16.908 -0.113 -5.548 574 H MET 93 H MET 93 16.409 -1.420 -0.718 575 HA MET 93 HA MET 93 17.694 -0.050 1.393 576 HB2 MET 93 HB1 MET 93 16.203 -2.407 1.088 577 HB3 MET 93 HB2 MET 93 17.773 -2.919 1.725 578 HG2 MET 93 HG1 MET 93 16.513 -0.587 3.045 579 HG3 MET 93 HG2 MET 93 15.737 -2.156 3.276 580 HE1 MET 93 HE1 MET 93 17.215 0.077 4.995 581 HE2 MET 93 HE2 MET 93 18.332 -0.666 6.140 582 HE3 MET 93 HE3 MET 93 18.940 0.015 4.631 583 H GLU 94 H GLU 94 18.859 -2.081 -1.164 584 HA GLU 94 HA GLU 94 21.379 -2.691 0.063 585 HB2 GLU 94 HB1 GLU 94 20.508 -2.861 -2.832 586 HB3 GLU 94 HB2 GLU 94 22.000 -3.545 -2.167 587 HG2 GLU 94 HG1 GLU 94 20.915 -5.424 -1.745 588 HG3 GLU 94 HG2 GLU 94 19.925 -4.544 -0.574 589 HE2 GLU 94 HE GLU 94 18.254 -5.753 -3.880 590 H ASP 95 H ASP 95 20.128 -0.180 -2.016 591 HA ASP 95 HA ASP 95 22.709 0.887 -2.698 592 HB2 ASP 95 HB1 ASP 95 19.872 1.579 -3.237 593 HB3 ASP 95 HB2 ASP 95 21.028 2.917 -3.273 594 HD2 ASP 95 HD ASP 95 22.061 2.011 -6.393 595 H ALA 96 H ALA 96 20.127 1.727 -0.427 596 HA ALA 96 HA ALA 96 21.228 4.114 0.545 597 HB1 ALA 96 HB1 ALA 96 18.978 2.539 1.091 598 HB2 ALA 96 HB2 ALA 96 19.837 2.702 2.623 599 HB3 ALA 96 HB3 ALA 96 19.350 4.141 1.728 600 H THR 97 H THR 97 21.803 4.246 3.023 601 HA THR 97 HA THR 97 23.406 3.934 4.609 602 HB THR 97 HB THR 97 23.375 1.012 3.855 603 HG1 THR 97 HG1 THR 97 21.455 2.596 5.144 604 HG21 THR 97 HG21 THR 97 24.344 0.604 5.876 605 HG22 THR 97 HG22 THR 97 23.567 1.985 6.650 606 HG23 THR 97 HG23 THR 97 24.974 2.230 5.616 607 H GLU 98 H GLU 98 24.813 5.124 3.087 608 HA GLU 98 HA GLU 98 26.551 3.947 1.270 609 HB2 GLU 98 HB1 GLU 98 28.056 5.930 1.778 610 HB3 GLU 98 HB2 GLU 98 26.403 6.305 1.271 611 HG2 GLU 98 HG1 GLU 98 26.558 6.061 4.142 612 HG3 GLU 98 HG2 GLU 98 27.729 7.240 3.534 613 HE2 GLU 98 HE GLU 98 25.120 9.473 3.533 614 H ASN 99 H ASN 99 27.762 2.215 1.714 615 HA ASN 99 HA ASN 99 29.153 2.050 4.284 616 HB2 ASN 99 HB1 ASN 99 27.744 0.154 2.990 617 HB3 ASN 99 HB2 ASN 99 29.349 -0.167 2.322 618 HD21 ASN 99 HD21 ASN 99 29.927 -1.986 3.323 619 HD22 ASN 99 HD22 ASN 99 30.037 -2.183 5.036 620 H LEU 100 H LEU 100 30.040 3.919 2.280 621 HA LEU 100 HA LEU 100 31.935 4.639 1.246 622 HB2 LEU 100 HB1 LEU 100 32.712 3.158 3.584 623 HB3 LEU 100 HB2 LEU 100 33.925 2.958 2.308 624 HG LEU 100 HG LEU 100 34.530 4.782 3.786 625 HD11 LEU 100 HD11 LEU 100 34.720 6.589 2.095 626 HD12 LEU 100 HD12 LEU 100 33.646 5.665 1.043 627 HD13 LEU 100 HD13 LEU 100 35.218 5.005 1.499 628 HD21 LEU 100 HD21 LEU 100 33.189 6.688 4.154 629 HD22 LEU 100 HD22 LEU 100 32.128 5.301 4.401 630 HD23 LEU 100 HD23 LEU 100 32.043 6.220 2.898 631 H TYR 101 H TYR 101 34.145 3.639 0.227 632 HA TYR 101 HA TYR 101 33.865 1.071 -0.981 633 HB2 TYR 101 HB1 TYR 101 32.205 2.604 -2.225 634 HB3 TYR 101 HB2 TYR 101 33.640 3.365 -2.918 635 HD1 TYR 101 HD1 TYR 101 31.278 0.797 -3.362 636 HD2 TYR 101 HD2 TYR 101 35.383 1.714 -4.005 637 HE1 TYR 101 HE1 TYR 101 31.390 -0.946 -5.094 638 HE2 TYR 101 HE2 TYR 101 35.506 -0.026 -5.739 639 HH TYR 101 HH TYR 101 33.843 -2.381 -6.101 640 H PHE 102 H PHE 102 35.907 0.428 -0.937 641 HA PHE 102 HA PHE 102 38.065 2.351 -1.258 642 HB2 PHE 102 HB1 PHE 102 37.802 -0.417 -0.199 643 HB3 PHE 102 HB2 PHE 102 39.360 0.021 -0.902 644 HD1 PHE 102 HD1 PHE 102 36.856 1.496 1.442 645 HD2 PHE 102 HD2 PHE 102 40.959 0.860 0.505 646 HE1 PHE 102 HE1 PHE 102 37.504 2.624 3.530 647 HE2 PHE 102 HE2 PHE 102 41.613 1.987 2.592 648 HZ PHE 102 HZ PHE 102 39.885 2.869 4.108 649 H GLN 103 H GLN 103 39.907 1.844 -2.669 650 HA GLN 103 HA GLN 103 39.112 0.348 -5.075 651 HB2 GLN 103 HB1 GLN 103 40.230 3.121 -4.832 652 HB3 GLN 103 HB2 GLN 103 40.570 2.155 -6.276 653 HG2 GLN 103 HG1 GLN 103 38.533 2.472 -7.120 654 HG3 GLN 103 HG2 GLN 103 37.754 2.154 -5.564 655 HE21 GLN 103 HE21 GLN 103 37.013 3.813 -4.382 656 HE22 GLN 103 HE22 GLN 103 37.196 5.478 -4.801 657 H SER 104 H SER 104 41.024 -0.174 -6.489 658 HA SER 104 HA SER 104 43.457 -0.614 -4.895 659 HB2 SER 104 HB1 SER 104 41.652 -2.618 -5.679 660 HB3 SER 104 HB2 SER 104 43.018 -2.750 -6.799 661 HG SER 104 HG SER 104 42.953 -3.107 -4.028 662 H LEU 105 H LEU 105 45.339 -1.255 -6.316 663 HA LEU 105 HA LEU 105 45.169 -0.075 -8.996 664 HB2 LEU 105 HB1 LEU 105 47.485 0.925 -8.507 665 HB3 LEU 105 HB2 LEU 105 46.053 1.740 -7.858 666 HG LEU 105 HG LEU 105 47.059 -0.127 -5.924 667 HD11 LEU 105 HD11 LEU 105 49.237 -0.010 -6.645 668 HD12 LEU 105 HD12 LEU 105 49.172 1.356 -5.533 669 HD13 LEU 105 HD13 LEU 105 49.057 1.630 -7.270 670 HD21 LEU 105 HD21 LEU 105 47.353 2.779 -5.522 671 HD22 LEU 105 HD22 LEU 105 46.577 1.561 -4.507 672 HD23 LEU 105 HD23 LEU 105 45.729 2.212 -5.911 673 H GLU 106 H GLU 106 45.562 -1.822 -10.216 674 HA GLU 106 HA GLU 106 47.142 -4.020 -9.488 675 HB2 GLU 106 HB1 GLU 106 46.095 -2.977 -12.103 676 HB3 GLU 106 HB2 GLU 106 47.198 -4.361 -12.073 677 HG2 GLU 106 HG1 GLU 106 45.367 -5.612 -11.872 678 HG3 GLU 106 HG2 GLU 106 45.354 -5.065 -10.188 679 HE2 GLU 106 HE GLU 106 42.714 -3.454 -12.681 680 H HIS 107 H HIS 107 49.086 -4.739 -10.837 681 HA HIS 107 HA HIS 107 50.855 -2.604 -11.676 682 HB2 HIS 107 HB1 HIS 107 52.683 -3.375 -10.137 683 HB3 HIS 107 HB2 HIS 107 51.342 -2.553 -9.334 684 HD1 HIS 107 HD1 HIS 107 49.849 -3.936 -7.756 685 HD2 HIS 107 HD2 HIS 107 52.925 -6.114 -9.505 686 HE1 HIS 107 HE1 HIS 107 49.945 -6.105 -6.486 687 HE2 HIS 107 HE2 HIS 107 51.825 -7.436 -7.555 688 H HIS 108 H HIS 108 52.624 -3.325 -12.904 689 HA HIS 108 HA HIS 108 52.519 -6.175 -13.645 690 HB2 HIS 108 HB1 HIS 108 53.335 -5.401 -15.913 691 HB3 HIS 108 HB2 HIS 108 51.674 -4.966 -15.507 692 HD1 HIS 108 HD1 HIS 108 55.115 -3.384 -15.613 693 HD2 HIS 108 HD2 HIS 108 51.104 -2.300 -15.639 694 HE1 HIS 108 HE1 HIS 108 55.091 -0.909 -16.053 695 HE2 HIS 108 HE2 HIS 108 52.640 -0.244 -16.070 696 H HIS 109 H HIS 109 54.181 -4.891 -11.615 697 HA HIS 109 HA HIS 109 56.334 -4.871 -10.877 698 HB2 HIS 109 HB1 HIS 109 56.831 -6.806 -13.153 699 HB3 HIS 109 HB2 HIS 109 57.798 -6.625 -11.685 700 HD1 HIS 109 HD1 HIS 109 56.509 -9.338 -12.477 701 HD2 HIS 109 HD2 HIS 109 54.848 -6.606 -9.825 702 HE1 HIS 109 HE1 HIS 109 54.956 -10.674 -11.020 703 HE2 HIS 109 HE2 HIS 109 53.941 -9.006 -9.397 704 H HIS 110 H HIS 110 58.777 -4.860 -11.915 705 HA HIS 110 HA HIS 110 58.733 -2.523 -13.686 706 HB2 HIS 110 HB1 HIS 110 60.922 -3.630 -11.910 707 HB3 HIS 110 HB2 HIS 110 61.087 -2.200 -12.933 708 HD1 HIS 110 HD1 HIS 110 59.204 -3.390 -9.886 709 HD2 HIS 110 HD2 HIS 110 60.110 0.141 -11.877 710 HE1 HIS 110 HE1 HIS 110 58.437 -1.542 -8.362 711 HE2 HIS 110 HE2 HIS 110 58.989 0.616 -9.579 712 H HIS 111 H HIS 111 61.045 -2.469 -14.922 713 HA HIS 111 HA HIS 111 61.524 -5.062 -16.185 714 HB2 HIS 111 HB1 HIS 111 60.088 -2.862 -17.395 715 HB3 HIS 111 HB2 HIS 111 61.559 -3.219 -18.304 716 HD1 HIS 111 HD1 HIS 111 61.808 -5.747 -19.168 717 HD2 HIS 111 HD2 HIS 111 58.034 -4.632 -17.836 718 HE1 HIS 111 HE1 HIS 111 60.235 -7.488 -20.072 719 HE2 HIS 111 HE2 HIS 111 57.927 -6.807 -19.259 720 H HIS 112 H HIS 112 63.389 -4.821 -17.833 721 HA HIS 112 HA HIS 112 65.640 -3.820 -16.429 722 HB2 HIS 112 HB1 HIS 112 66.957 -4.607 -18.275 723 HB3 HIS 112 HB2 HIS 112 65.674 -5.784 -17.979 724 HD1 HIS 112 HD1 HIS 112 67.242 -5.172 -20.749 725 HD2 HIS 112 HD2 HIS 112 63.342 -4.136 -19.757 726 HE1 HIS 112 HE1 HIS 112 66.044 -4.889 -22.941 727 HE2 HIS 112 HE2 HIS 112 63.661 -4.254 -22.337 Start of MODEL 37 1 H1 MET 18 H MET 18 -34.479 -39.510 -8.686 2 HA MET 18 HA MET 18 -36.476 -40.105 -10.769 3 HB2 MET 18 HB1 MET 18 -35.442 -41.888 -8.559 4 HB3 MET 18 HB2 MET 18 -36.937 -42.222 -9.445 5 HG2 MET 18 HG1 MET 18 -35.587 -43.450 -10.757 6 HG3 MET 18 HG2 MET 18 -35.259 -41.887 -11.509 7 HE1 MET 18 HE1 MET 18 -33.097 -40.586 -11.379 8 HE2 MET 18 HE2 MET 18 -31.612 -41.533 -11.284 9 HE3 MET 18 HE3 MET 18 -32.882 -41.997 -12.417 10 H LEU 19 H LEU 19 -36.635 -37.830 -9.206 11 HA LEU 19 HA LEU 19 -38.840 -38.491 -7.365 12 HB2 LEU 19 HB1 LEU 19 -36.496 -36.741 -7.065 13 HB3 LEU 19 HB2 LEU 19 -38.034 -36.006 -6.585 14 HG LEU 19 HG LEU 19 -36.890 -38.568 -5.473 15 HD11 LEU 19 HD11 LEU 19 -37.308 -36.334 -3.662 16 HD12 LEU 19 HD12 LEU 19 -36.122 -35.984 -4.920 17 HD13 LEU 19 HD13 LEU 19 -35.904 -37.382 -3.867 18 HD21 LEU 19 HD21 LEU 19 -39.161 -38.860 -5.232 19 HD22 LEU 19 HD22 LEU 19 -39.478 -37.130 -5.089 20 HD23 LEU 19 HD23 LEU 19 -38.759 -38.011 -3.739 21 H VAL 20 H VAL 20 -40.708 -37.302 -7.493 22 HA VAL 20 HA VAL 20 -41.210 -35.975 -9.985 23 HB VAL 20 HB VAL 20 -42.930 -37.363 -8.913 24 HG11 VAL 20 HG11 VAL 20 -43.607 -35.281 -6.930 25 HG12 VAL 20 HG12 VAL 20 -43.756 -37.037 -6.832 26 HG13 VAL 20 HG13 VAL 20 -42.188 -36.268 -6.580 27 HG21 VAL 20 HG21 VAL 20 -44.045 -34.595 -8.887 28 HG22 VAL 20 HG22 VAL 20 -43.369 -35.242 -10.381 29 HG23 VAL 20 HG23 VAL 20 -44.712 -36.068 -9.590 30 H LEU 21 H LEU 21 -41.723 -33.821 -10.340 31 HA LEU 21 HA LEU 21 -40.374 -31.933 -8.691 32 HB2 LEU 21 HB1 LEU 21 -41.407 -32.027 -11.313 33 HB3 LEU 21 HB2 LEU 21 -42.229 -30.689 -10.492 34 HG LEU 21 HG LEU 21 -39.248 -30.886 -10.374 35 HD11 LEU 21 HD11 LEU 21 -39.993 -31.140 -12.760 36 HD12 LEU 21 HD12 LEU 21 -38.988 -29.729 -12.428 37 HD13 LEU 21 HD13 LEU 21 -40.731 -29.544 -12.622 38 HD21 LEU 21 HD21 LEU 21 -39.806 -28.299 -10.603 39 HD22 LEU 21 HD22 LEU 21 -39.864 -29.141 -9.054 40 HD23 LEU 21 HD23 LEU 21 -41.353 -28.841 -9.951 41 H ASP 22 H ASP 22 -41.110 -30.744 -7.052 42 HA ASP 22 HA ASP 22 -43.916 -30.097 -6.799 43 HB2 ASP 22 HB1 ASP 22 -44.000 -31.004 -4.434 44 HB3 ASP 22 HB2 ASP 22 -44.019 -32.215 -5.721 45 HD2 ASP 22 HD ASP 22 -41.553 -33.627 -3.717 46 H PHE 23 H PHE 23 -41.609 -28.529 -7.209 47 HA PHE 23 HA PHE 23 -41.499 -27.043 -4.666 48 HB2 PHE 23 HB1 PHE 23 -39.339 -27.819 -6.566 49 HB3 PHE 23 HB2 PHE 23 -39.227 -26.223 -5.821 50 HD1 PHE 23 HD1 PHE 23 -38.876 -25.954 -3.442 51 HD2 PHE 23 HD2 PHE 23 -39.111 -29.819 -5.210 52 HE1 PHE 23 HE1 PHE 23 -37.925 -26.943 -1.400 53 HE2 PHE 23 HE2 PHE 23 -38.161 -30.813 -3.170 54 HZ PHE 23 HZ PHE 23 -37.568 -29.375 -1.261 55 H ASN 24 H ASN 24 -41.989 -24.925 -4.735 56 HA ASN 24 HA ASN 24 -42.924 -23.845 -7.267 57 HB2 ASN 24 HB1 ASN 24 -43.400 -23.309 -4.407 58 HB3 ASN 24 HB2 ASN 24 -43.349 -21.865 -5.425 59 HD21 ASN 24 HD21 ASN 24 -44.674 -25.155 -5.632 60 HD22 ASN 24 HD22 ASN 24 -46.229 -24.672 -6.210 61 H ASN 25 H ASN 25 -40.690 -22.879 -4.668 62 HA ASN 25 HA ASN 25 -38.878 -21.505 -4.647 63 HB2 ASN 25 HB1 ASN 25 -38.797 -22.049 -7.627 64 HB3 ASN 25 HB2 ASN 25 -37.460 -21.468 -6.627 65 HD21 ASN 25 HD21 ASN 25 -38.135 -24.000 -8.258 66 HD22 ASN 25 HD22 ASN 25 -37.639 -25.279 -7.209 67 H ILE 26 H ILE 26 -40.382 -19.762 -4.144 68 HA ILE 26 HA ILE 26 -40.186 -17.633 -6.128 69 HB ILE 26 HB ILE 26 -42.566 -16.950 -5.644 70 HG12 ILE 26 HG11 ILE 26 -43.198 -19.784 -5.007 71 HG13 ILE 26 HG12 ILE 26 -42.522 -18.802 -3.696 72 HG21 ILE 26 HG21 ILE 26 -41.875 -17.968 -7.762 73 HG22 ILE 26 HG22 ILE 26 -42.171 -19.569 -7.085 74 HG23 ILE 26 HG23 ILE 26 -43.511 -18.446 -7.315 75 HD11 ILE 26 HD11 ILE 26 -45.193 -18.847 -4.719 76 HD12 ILE 26 HD12 ILE 26 -44.550 -18.024 -3.297 77 HD13 ILE 26 HD13 ILE 26 -44.515 -17.227 -4.869 78 H ARG 27 H ARG 27 -39.891 -15.642 -5.253 79 HA ARG 27 HA ARG 27 -40.556 -15.071 -2.511 80 HB2 ARG 27 HB1 ARG 27 -38.211 -14.494 -1.872 81 HB3 ARG 27 HB2 ARG 27 -38.495 -16.227 -2.094 82 HG2 ARG 27 HG1 ARG 27 -37.171 -16.368 -3.941 83 HG3 ARG 27 HG2 ARG 27 -37.493 -14.695 -4.426 84 HD2 ARG 27 HD1 ARG 27 -35.263 -14.631 -3.738 85 HD3 ARG 27 HD2 ARG 27 -36.157 -14.037 -2.332 86 HE ARG 27 HE ARG 27 -35.892 -16.778 -2.008 87 HH11 ARG 27 HH11 ARG 27 -33.821 -13.990 -2.237 88 HH12 ARG 27 HH12 ARG 27 -32.576 -14.670 -1.242 89 HH21 ARG 27 HH21 ARG 27 -34.261 -17.686 -0.697 90 HH22 ARG 27 HH22 ARG 27 -32.828 -16.773 -0.368 91 H SER 28 H SER 28 -40.284 -12.844 -1.965 92 HA SER 28 HA SER 28 -39.438 -11.028 -4.076 93 HB2 SER 28 HB1 SER 28 -41.475 -9.921 -4.376 94 HB3 SER 28 HB2 SER 28 -41.962 -11.623 -4.291 95 HG SER 28 HG SER 28 -43.236 -10.207 -2.956 96 H SER 29 H SER 29 -38.440 -9.296 -3.261 97 HA SER 29 HA SER 29 -39.120 -8.300 -0.616 98 HB2 SER 29 HB1 SER 29 -36.771 -8.372 0.169 99 HB3 SER 29 HB2 SER 29 -37.433 -9.993 -0.113 100 HG SER 29 HG SER 29 -35.492 -8.590 -1.558 101 H ALA 30 H ALA 30 -37.732 -6.319 -0.099 102 HA ALA 30 HA ALA 30 -37.498 -4.726 -2.557 103 HB1 ALA 30 HB1 ALA 30 -39.125 -3.949 -0.875 104 HB2 ALA 30 HB2 ALA 30 -37.808 -3.764 0.284 105 HB3 ALA 30 HB3 ALA 30 -37.845 -2.773 -1.175 106 H ASP 31 H ASP 31 -35.660 -3.602 -3.045 107 HA ASP 31 HA ASP 31 -33.334 -4.091 -1.303 108 HB2 ASP 31 HB1 ASP 31 -32.073 -3.671 -3.573 109 HB3 ASP 31 HB2 ASP 31 -32.773 -5.256 -3.219 110 HD2 ASP 31 HD ASP 31 -34.414 -3.079 -6.089 111 H LEU 32 H LEU 32 -31.772 -2.431 -1.110 112 HA LEU 32 HA LEU 32 -32.378 0.185 -2.214 113 HB2 LEU 32 HB1 LEU 32 -32.757 -0.558 0.637 114 HB3 LEU 32 HB2 LEU 32 -31.991 1.004 0.299 115 HG LEU 32 HG LEU 32 -34.210 1.030 -1.339 116 HD11 LEU 32 HD11 LEU 32 -36.088 0.338 -0.054 117 HD12 LEU 32 HD12 LEU 32 -35.071 -0.062 1.331 118 HD13 LEU 32 HD13 LEU 32 -34.979 -1.031 -0.140 119 HD21 LEU 32 HD21 LEU 32 -35.019 2.731 0.145 120 HD22 LEU 32 HD22 LEU 32 -33.261 2.846 0.069 121 HD23 LEU 32 HD23 LEU 32 -34.038 2.107 1.471 122 H HIS 33 H HIS 33 -30.544 1.139 -2.793 123 HA HIS 33 HA HIS 33 -28.058 0.335 -1.427 124 HB2 HIS 33 HB1 HIS 33 -28.169 -0.515 -3.730 125 HB3 HIS 33 HB2 HIS 33 -28.422 1.129 -4.325 126 HD1 HIS 33 HD1 HIS 33 -26.320 1.581 -5.588 127 HD2 HIS 33 HD2 HIS 33 -25.583 0.041 -1.801 128 HE1 HIS 33 HE1 HIS 33 -23.828 1.715 -5.280 129 HE2 HIS 33 HE2 HIS 33 -23.376 0.776 -2.966 130 H GLY 34 H GLY 34 -26.787 1.903 -0.617 131 HA2 GLY 34 HA2 GLY 34 -26.352 4.449 -1.521 132 HA3 GLY 34 HA3 GLY 34 -27.801 4.588 -0.536 133 HA1 GLY 34 HA1 GLY 34 -25.970 3.726 -1.189 134 H ALA 35 H ALA 35 -27.461 5.140 1.501 135 HA ALA 35 HA ALA 35 -26.419 5.544 3.486 136 HB1 ALA 35 HB1 ALA 35 -24.727 3.145 3.367 137 HB2 ALA 35 HB2 ALA 35 -25.878 3.666 4.598 138 HB3 ALA 35 HB3 ALA 35 -26.452 2.861 3.137 139 H ARG 36 H ARG 36 -25.175 6.619 1.117 140 HA ARG 36 HA ARG 36 -22.321 6.499 1.795 141 HB2 ARG 36 HB1 ARG 36 -23.655 6.450 -0.658 142 HB3 ARG 36 HB2 ARG 36 -22.973 8.078 -0.550 143 HG2 ARG 36 HG1 ARG 36 -20.804 6.750 0.183 144 HG3 ARG 36 HG2 ARG 36 -21.595 5.458 -0.734 145 HD2 ARG 36 HD1 ARG 36 -21.834 7.055 -2.654 146 HD3 ARG 36 HD2 ARG 36 -20.853 8.203 -1.731 147 HE ARG 36 HE ARG 36 -18.980 6.968 -2.227 148 HH11 ARG 36 HH11 ARG 36 -21.832 5.136 -3.024 149 HH12 ARG 36 HH12 ARG 36 -20.958 3.891 -3.854 150 HH21 ARG 36 HH21 ARG 36 -17.820 5.334 -3.316 151 HH22 ARG 36 HH22 ARG 36 -18.676 4.005 -4.018 152 H LYS 37 H LYS 37 -21.125 8.607 1.555 153 HA LYS 37 HA LYS 37 -22.744 10.900 2.423 154 HB2 LYS 37 HB1 LYS 37 -20.890 9.428 4.023 155 HB3 LYS 37 HB2 LYS 37 -20.221 11.040 3.726 156 HG2 LYS 37 HG1 LYS 37 -21.416 11.378 5.663 157 HG3 LYS 37 HG2 LYS 37 -22.581 11.868 4.421 158 HD2 LYS 37 HD1 LYS 37 -23.631 9.649 4.517 159 HD3 LYS 37 HD2 LYS 37 -22.469 9.168 5.766 160 HE2 LYS 37 HE1 LYS 37 -23.613 10.201 7.393 161 HE3 LYS 37 HE2 LYS 37 -23.832 11.656 6.409 162 HZ1 LYS 37 HZ1 LYS 37 -25.937 11.075 6.152 163 HZ2 LYS 37 HZ2 LYS 37 -25.696 9.618 6.974 164 HZ3 LYS 37 HZ3 LYS 37 -25.453 9.695 5.302 165 H GLY 38 H GLY 38 -19.339 10.077 1.712 166 HA2 GLY 38 HA2 GLY 38 -18.919 11.238 -0.668 167 HA3 GLY 38 HA3 GLY 38 -18.982 12.638 0.391 168 HA1 GLY 38 HA1 GLY 38 -18.678 10.597 -0.114 169 H SER 39 H SER 39 -17.345 9.516 -0.024 170 HA SER 39 HA SER 39 -14.825 10.788 0.694 171 HB2 SER 39 HB1 SER 39 -16.158 9.516 2.685 172 HB3 SER 39 HB2 SER 39 -15.239 8.163 2.001 173 HG SER 39 HG SER 39 -13.446 9.925 2.125 174 H GLN 40 H GLN 40 -13.052 9.862 -0.263 175 HA GLN 40 HA GLN 40 -13.636 7.776 -2.239 176 HB2 GLN 40 HB1 GLN 40 -11.509 9.898 -2.036 177 HB3 GLN 40 HB2 GLN 40 -11.343 8.528 -3.145 178 HG2 GLN 40 HG1 GLN 40 -12.234 10.225 -4.469 179 HG3 GLN 40 HG2 GLN 40 -13.621 9.206 -4.061 180 HE21 GLN 40 HE21 GLN 40 -15.022 10.940 -4.475 181 HE22 GLN 40 HE22 GLN 40 -15.212 12.237 -3.349 182 H CYS 41 H CYS 41 -11.266 8.654 0.249 183 HA CYS 41 HA CYS 41 -10.820 5.879 0.869 184 HB2 CYS 41 HB1 CYS 41 -8.341 6.022 0.536 185 HB3 CYS 41 HB2 CYS 41 -9.277 6.011 -0.960 186 H LEU 42 H LEU 42 -10.047 5.588 2.921 187 HA LEU 42 HA LEU 42 -9.832 8.008 4.545 188 HB2 LEU 42 HB1 LEU 42 -10.985 5.447 4.917 189 HB3 LEU 42 HB2 LEU 42 -9.662 5.610 6.086 190 HG LEU 42 HG LEU 42 -11.555 7.879 5.910 191 HD11 LEU 42 HD11 LEU 42 -13.332 6.864 6.995 192 HD12 LEU 42 HD12 LEU 42 -12.373 5.464 7.475 193 HD13 LEU 42 HD13 LEU 42 -12.870 5.657 5.795 194 HD21 LEU 42 HD21 LEU 42 -9.936 6.467 7.988 195 HD22 LEU 42 HD22 LEU 42 -11.285 7.498 8.466 196 HD23 LEU 42 HD23 LEU 42 -9.944 8.172 7.539 197 H SER 43 H SER 43 -7.969 5.250 3.491 198 HA SER 43 HA SER 43 -5.593 6.448 4.735 199 HB2 SER 43 HB1 SER 43 -6.009 3.455 4.615 200 HB3 SER 43 HB2 SER 43 -4.787 4.359 5.527 201 HG SER 43 HG SER 43 -7.550 4.682 6.022 202 H ASP 44 H ASP 44 -3.545 5.554 3.772 203 HA ASP 44 HA ASP 44 -3.585 5.888 0.975 204 HB2 ASP 44 HB1 ASP 44 -1.215 5.349 1.035 205 HB3 ASP 44 HB2 ASP 44 -1.626 6.405 2.392 206 HD2 ASP 44 HD ASP 44 -0.638 4.070 4.698 207 H THR 45 H THR 45 -3.859 3.086 3.000 208 HA THR 45 HA THR 45 -3.341 1.224 0.840 209 HB THR 45 HB THR 45 -2.654 0.652 3.137 210 HG1 THR 45 HG1 THR 45 -3.173 -1.039 1.666 211 HG21 THR 45 HG21 THR 45 -5.055 -0.215 4.298 212 HG22 THR 45 HG22 THR 45 -5.366 1.425 3.725 213 HG23 THR 45 HG23 THR 45 -4.027 1.115 4.831 214 H ASP 46 H ASP 46 -5.837 3.176 1.449 215 HA ASP 46 HA ASP 46 -7.956 1.225 0.959 216 HB2 ASP 46 HB1 ASP 46 -7.858 3.566 2.452 217 HB3 ASP 46 HB2 ASP 46 -8.768 4.026 1.006 218 HD2 ASP 46 HD ASP 46 -11.287 1.632 1.810 219 H CYS 47 H CYS 47 -5.786 2.475 -0.949 220 HA CYS 47 HA CYS 47 -7.520 3.545 -3.028 221 HB2 CYS 47 HB1 CYS 47 -5.420 4.683 -2.706 222 HB3 CYS 47 HB2 CYS 47 -4.525 3.172 -2.869 223 H ASN 48 H ASN 48 -4.922 1.099 -3.047 224 HA ASN 48 HA ASN 48 -6.670 -0.726 -4.509 225 HB2 ASN 48 HB1 ASN 48 -4.138 0.492 -5.572 226 HB3 ASN 48 HB2 ASN 48 -4.604 -1.141 -6.064 227 HD21 ASN 48 HD21 ASN 48 -6.774 -1.402 -6.980 228 HD22 ASN 48 HD22 ASN 48 -7.414 -0.124 -7.951 229 H THR 49 H THR 49 -3.159 -0.613 -3.955 230 HA THR 49 HA THR 49 -3.273 -2.576 -1.858 231 HB THR 49 HB THR 49 -2.064 -3.393 -4.507 232 HG1 THR 49 HG1 THR 49 -3.755 -4.882 -4.569 233 HG21 THR 49 HG21 THR 49 -1.458 -4.210 -1.870 234 HG22 THR 49 HG22 THR 49 -0.895 -4.920 -3.382 235 HG23 THR 49 HG23 THR 49 -2.367 -5.521 -2.621 236 H ARG 50 H ARG 50 -0.922 -1.708 -4.399 237 HA ARG 50 HA ARG 50 0.961 -0.962 -2.263 238 HB2 ARG 50 HB1 ARG 50 1.452 -1.904 -5.096 239 HB3 ARG 50 HB2 ARG 50 2.724 -1.316 -4.014 240 HG2 ARG 50 HG1 ARG 50 2.315 -3.124 -2.461 241 HG3 ARG 50 HG2 ARG 50 0.959 -3.689 -3.451 242 HD2 ARG 50 HD1 ARG 50 2.308 -4.820 -4.827 243 HD3 ARG 50 HD2 ARG 50 3.361 -3.414 -5.031 244 HE ARG 50 HE ARG 50 4.785 -4.277 -3.451 245 HH11 ARG 50 HH11 ARG 50 1.759 -5.995 -3.352 246 HH12 ARG 50 HH12 ARG 50 2.341 -7.224 -2.278 247 HH21 ARG 50 HH21 ARG 50 5.564 -5.889 -2.037 248 HH22 ARG 50 HH22 ARG 50 4.506 -7.162 -1.531 249 H LYS 51 H LYS 51 -0.766 0.985 -2.684 250 HA LYS 51 HA LYS 51 0.838 3.019 -4.019 251 HB2 LYS 51 HB1 LYS 51 -2.122 2.803 -4.584 252 HB3 LYS 51 HB2 LYS 51 -0.946 3.884 -5.347 253 HG2 LYS 51 HG1 LYS 51 0.153 1.977 -6.406 254 HG3 LYS 51 HG2 LYS 51 -1.011 0.887 -5.633 255 HD2 LYS 51 HD1 LYS 51 -2.827 1.768 -6.886 256 HD3 LYS 51 HD2 LYS 51 -1.852 3.136 -7.449 257 HE2 LYS 51 HE1 LYS 51 -1.191 1.975 -9.232 258 HE3 LYS 51 HE2 LYS 51 -0.523 0.722 -8.176 259 HZ1 LYS 51 HZ1 LYS 51 -3.174 0.843 -9.449 260 HZ2 LYS 51 HZ2 LYS 51 -2.969 -0.053 -8.029 261 HZ3 LYS 51 HZ3 LYS 51 -2.065 -0.433 -9.408 262 H PHE 52 H PHE 52 -0.244 5.250 -3.642 263 HA PHE 52 HA PHE 52 -1.474 5.307 -0.970 264 HB2 PHE 52 HB1 PHE 52 -0.089 7.150 -0.300 265 HB3 PHE 52 HB2 PHE 52 0.963 5.857 -0.878 266 HD1 PHE 52 HD1 PHE 52 -0.358 9.189 -1.624 267 HD2 PHE 52 HD2 PHE 52 2.263 6.081 -2.885 268 HE1 PHE 52 HE1 PHE 52 0.709 10.738 -3.211 269 HE2 PHE 52 HE2 PHE 52 3.335 7.626 -4.474 270 HZ PHE 52 HZ PHE 52 2.558 9.957 -4.638 271 H CYS 53 H CYS 53 -3.023 6.856 -0.621 272 HA CYS 53 HA CYS 53 -4.273 7.958 -2.951 273 HB2 CYS 53 HB1 CYS 53 -4.969 7.465 -0.192 274 HB3 CYS 53 HB2 CYS 53 -5.438 9.102 -0.654 275 H LEU 54 H LEU 54 -3.108 9.556 -3.897 276 HA LEU 54 HA LEU 54 -1.808 11.617 -2.382 277 HB2 LEU 54 HB1 LEU 54 -0.830 10.918 -4.461 278 HB3 LEU 54 HB2 LEU 54 -2.332 11.284 -5.330 279 HG LEU 54 HG LEU 54 -1.651 13.710 -4.207 280 HD11 LEU 54 HD11 LEU 54 0.823 12.197 -4.982 281 HD12 LEU 54 HD12 LEU 54 0.510 13.116 -3.511 282 HD13 LEU 54 HD13 LEU 54 0.738 13.958 -5.044 283 HD21 LEU 54 HD21 LEU 54 -0.679 13.988 -6.673 284 HD22 LEU 54 HD22 LEU 54 -2.407 13.873 -6.339 285 HD23 LEU 54 HD23 LEU 54 -1.518 12.451 -6.883 286 H GLN 55 H GLN 55 -2.781 13.321 -1.528 287 HA GLN 55 HA GLN 55 -5.207 14.359 -2.837 288 HB2 GLN 55 HB1 GLN 55 -5.890 15.143 -0.538 289 HB3 GLN 55 HB2 GLN 55 -5.905 13.388 -0.780 290 HG2 GLN 55 HG1 GLN 55 -4.445 13.050 0.854 291 HG3 GLN 55 HG2 GLN 55 -3.346 14.277 0.207 292 HE21 GLN 55 HE21 GLN 55 -2.835 15.621 1.775 293 HE22 GLN 55 HE22 GLN 55 -3.933 16.339 2.899 294 HA PRO 56 HA PRO 56 -2.127 17.745 -3.009 295 HB2 PRO 56 HB1 PRO 56 -3.093 18.791 -5.350 296 HB3 PRO 56 HB2 PRO 56 -1.957 17.445 -5.280 297 HG2 PRO 56 HG1 PRO 56 -4.940 17.402 -5.592 298 HG3 PRO 56 HG2 PRO 56 -3.685 16.474 -6.495 299 HD2 PRO 56 HD1 PRO 56 -5.155 15.383 -4.489 300 HD3 PRO 56 HD2 PRO 56 -3.471 14.925 -4.800 301 H ARG 57 H ARG 57 -2.409 20.046 -2.881 302 HA ARG 57 HA ARG 57 -4.870 20.780 -1.554 303 HB2 ARG 57 HB1 ARG 57 -2.392 21.466 -0.990 304 HB3 ARG 57 HB2 ARG 57 -2.703 22.746 -2.171 305 HG2 ARG 57 HG1 ARG 57 -4.857 23.158 -0.749 306 HG3 ARG 57 HG2 ARG 57 -3.938 22.305 0.503 307 HD2 ARG 57 HD1 ARG 57 -2.907 24.222 0.982 308 HD3 ARG 57 HD2 ARG 57 -2.145 24.138 -0.612 309 HE ARG 57 HE ARG 57 -3.557 25.789 -1.347 310 HH11 ARG 57 HH11 ARG 57 -4.737 24.521 1.673 311 HH12 ARG 57 HH12 ARG 57 -5.951 25.742 1.861 312 HH21 ARG 57 HH21 ARG 57 -5.151 27.402 -1.111 313 HH22 ARG 57 HH22 ARG 57 -6.186 27.380 0.277 314 H ASP 58 H ASP 58 -3.086 21.792 -4.452 315 HA ASP 58 HA ASP 58 -5.095 23.667 -5.260 316 HB2 ASP 58 HB1 ASP 58 -2.443 22.891 -6.111 317 HB3 ASP 58 HB2 ASP 58 -3.533 22.994 -7.501 318 HD2 ASP 58 HD ASP 58 -2.705 26.336 -5.535 319 H GLU 59 H GLU 59 -4.571 20.286 -5.679 320 HA GLU 59 HA GLU 59 -6.733 20.192 -7.681 321 HB2 GLU 59 HB1 GLU 59 -4.150 18.912 -7.585 322 HB3 GLU 59 HB2 GLU 59 -5.434 17.695 -7.613 323 HG2 GLU 59 HG1 GLU 59 -6.144 18.263 -9.705 324 HG3 GLU 59 HG2 GLU 59 -5.609 19.941 -9.542 325 HE2 GLU 59 HE GLU 59 -2.613 17.453 -10.280 326 H LYS 60 H LYS 60 -7.658 17.747 -7.586 327 HA LYS 60 HA LYS 60 -8.715 17.502 -4.864 328 HB2 LYS 60 HB1 LYS 60 -10.440 16.028 -5.981 329 HB3 LYS 60 HB2 LYS 60 -10.451 17.730 -6.468 330 HG2 LYS 60 HG1 LYS 60 -9.724 17.290 -8.586 331 HG3 LYS 60 HG2 LYS 60 -8.850 15.830 -8.092 332 HD2 LYS 60 HD1 LYS 60 -10.665 14.488 -8.318 333 HD3 LYS 60 HD2 LYS 60 -11.785 15.748 -7.774 334 HE2 LYS 60 HE1 LYS 60 -10.629 16.559 -10.267 335 HE3 LYS 60 HE2 LYS 60 -11.245 14.908 -10.421 336 HZ1 LYS 60 HZ1 LYS 60 -13.393 15.611 -9.703 337 HZ2 LYS 60 HZ2 LYS 60 -12.901 16.650 -10.943 338 HZ3 LYS 60 HZ3 LYS 60 -12.834 17.165 -9.333 339 HA PRO 61 HA PRO 61 -6.679 13.705 -4.023 340 HB2 PRO 61 HB1 PRO 61 -8.567 12.390 -2.539 341 HB3 PRO 61 HB2 PRO 61 -7.653 13.774 -1.944 342 HG2 PRO 61 HG1 PRO 61 -10.407 13.679 -3.128 343 HG3 PRO 61 HG2 PRO 61 -9.826 14.553 -1.662 344 HD2 PRO 61 HD1 PRO 61 -10.226 15.794 -4.044 345 HD3 PRO 61 HD2 PRO 61 -8.947 16.275 -2.916 346 H PHE 62 H PHE 62 -6.468 11.606 -4.743 347 HA PHE 62 HA PHE 62 -8.587 10.089 -5.863 348 HB2 PHE 62 HB1 PHE 62 -7.656 10.072 -8.224 349 HB3 PHE 62 HB2 PHE 62 -8.513 11.537 -7.742 350 HD1 PHE 62 HD1 PHE 62 -7.570 13.564 -8.247 351 HD2 PHE 62 HD2 PHE 62 -5.035 10.185 -7.722 352 HE1 PHE 62 HE1 PHE 62 -5.621 14.936 -8.854 353 HE2 PHE 62 HE2 PHE 62 -3.082 11.552 -8.327 354 HZ PHE 62 HZ PHE 62 -3.372 13.931 -8.893 355 H CYS 63 H CYS 63 -7.508 8.253 -7.334 356 HA CYS 63 HA CYS 63 -5.521 7.039 -5.616 357 HB2 CYS 63 HB1 CYS 63 -7.496 6.141 -7.559 358 HB3 CYS 63 HB2 CYS 63 -5.941 5.336 -7.781 359 H ALA 64 H ALA 64 -3.403 7.003 -5.977 360 HA ALA 64 HA ALA 64 -2.396 7.311 -8.710 361 HB1 ALA 64 HB1 ALA 64 -2.021 9.486 -8.218 362 HB2 ALA 64 HB2 ALA 64 -1.998 9.204 -6.477 363 HB3 ALA 64 HB3 ALA 64 -0.578 8.822 -7.451 364 H THR 65 H THR 65 -0.798 5.933 -9.152 365 HA THR 65 HA THR 65 -0.001 3.923 -7.400 366 HB THR 65 HB THR 65 0.253 3.521 -9.728 367 HG1 THR 65 HG1 THR 65 2.935 3.864 -8.873 368 HG21 THR 65 HG21 THR 65 2.066 5.932 -9.746 369 HG22 THR 65 HG22 THR 65 0.522 5.747 -10.576 370 HG23 THR 65 HG23 THR 65 1.918 4.801 -11.091 371 H CYS 66 H CYS 66 2.165 3.458 -6.573 372 HA CYS 66 HA CYS 66 3.240 5.754 -5.191 373 HB2 CYS 66 HB1 CYS 66 4.610 4.155 -3.978 374 HB3 CYS 66 HB2 CYS 66 2.937 3.594 -4.033 375 H ARG 67 H ARG 67 5.193 6.715 -5.493 376 HA ARG 67 HA ARG 67 6.365 6.783 -7.991 377 HB2 ARG 67 HB1 ARG 67 7.593 7.413 -5.297 378 HB3 ARG 67 HB2 ARG 67 8.315 7.851 -6.852 379 HG2 ARG 67 HG1 ARG 67 5.583 8.766 -5.958 380 HG3 ARG 67 HG2 ARG 67 7.074 9.694 -5.728 381 HD2 ARG 67 HD1 ARG 67 7.423 9.882 -8.090 382 HD3 ARG 67 HD2 ARG 67 6.121 8.730 -8.417 383 HE ARG 67 HE ARG 67 5.846 11.528 -7.938 384 HH11 ARG 67 HH11 ARG 67 4.270 8.448 -7.544 385 HH12 ARG 67 HH12 ARG 67 2.673 9.119 -7.537 386 HH21 ARG 67 HH21 ARG 67 3.748 12.423 -7.929 387 HH22 ARG 67 HH22 ARG 67 2.377 11.380 -7.756 388 H GLY 68 H GLY 68 7.486 5.324 -9.091 389 HA2 GLY 68 HA2 GLY 68 8.360 2.876 -8.037 390 HA3 GLY 68 HA3 GLY 68 8.847 3.545 -9.588 391 HA1 GLY 68 HA1 GLY 68 8.517 3.549 -7.488 392 H LEU 69 H LEU 69 10.810 2.249 -8.722 393 HA LEU 69 HA LEU 69 12.417 3.442 -6.704 394 HB2 LEU 69 HB1 LEU 69 12.739 1.303 -8.739 395 HB3 LEU 69 HB2 LEU 69 14.217 2.045 -8.101 396 HG LEU 69 HG LEU 69 12.088 0.679 -6.453 397 HD11 LEU 69 HD11 LEU 69 13.625 -0.705 -7.995 398 HD12 LEU 69 HD12 LEU 69 13.477 -1.172 -6.302 399 HD13 LEU 69 HD13 LEU 69 14.896 -0.280 -6.849 400 HD21 LEU 69 HD21 LEU 69 13.908 0.841 -4.690 401 HD22 LEU 69 HD22 LEU 69 13.061 2.336 -5.091 402 HD23 LEU 69 HD23 LEU 69 14.675 2.035 -5.738 403 H ARG 70 H ARG 70 11.986 4.010 -10.092 404 HA ARG 70 HA ARG 70 14.377 5.695 -10.214 405 HB2 ARG 70 HB1 ARG 70 12.630 4.355 -12.210 406 HB3 ARG 70 HB2 ARG 70 13.359 5.895 -12.690 407 HG2 ARG 70 HG1 ARG 70 15.538 4.689 -11.695 408 HG3 ARG 70 HG2 ARG 70 14.620 3.269 -12.224 409 HD2 ARG 70 HD1 ARG 70 14.416 5.189 -14.296 410 HD3 ARG 70 HD2 ARG 70 16.113 5.136 -13.796 411 HE ARG 70 HE ARG 70 14.687 3.117 -15.219 412 HH11 ARG 70 HH11 ARG 70 17.253 3.649 -12.928 413 HH12 ARG 70 HH12 ARG 70 18.097 2.191 -13.338 414 HH21 ARG 70 HH21 ARG 70 15.788 1.197 -15.768 415 HH22 ARG 70 HH22 ARG 70 17.263 0.798 -14.954 416 H ARG 71 H ARG 71 11.556 6.180 -8.946 417 HA ARG 71 HA ARG 71 11.008 8.751 -10.264 418 HB2 ARG 71 HB1 ARG 71 9.328 6.876 -8.625 419 HB3 ARG 71 HB2 ARG 71 8.883 8.583 -8.769 420 HG2 ARG 71 HG1 ARG 71 9.365 6.841 -11.176 421 HG3 ARG 71 HG2 ARG 71 7.785 6.976 -10.388 422 HD2 ARG 71 HD1 ARG 71 8.907 9.599 -10.823 423 HD3 ARG 71 HD2 ARG 71 8.874 8.676 -12.332 424 HE ARG 71 HE ARG 71 6.404 8.531 -10.889 425 HH11 ARG 71 HH11 ARG 71 8.287 10.438 -13.111 426 HH12 ARG 71 HH12 ARG 71 6.908 11.226 -13.806 427 HH21 ARG 71 HH21 ARG 71 4.582 9.562 -11.794 428 HH22 ARG 71 HH22 ARG 71 4.802 10.727 -13.055 429 H ARG 72 H ARG 72 10.879 10.651 -9.071 430 HA ARG 72 HA ARG 72 12.608 10.806 -6.815 431 HB2 ARG 72 HB1 ARG 72 10.735 12.867 -8.004 432 HB3 ARG 72 HB2 ARG 72 11.979 13.200 -6.787 433 HG2 ARG 72 HG1 ARG 72 12.928 11.848 -9.232 434 HG3 ARG 72 HG2 ARG 72 12.345 13.509 -9.435 435 HD2 ARG 72 HD1 ARG 72 13.846 14.213 -7.567 436 HD3 ARG 72 HD2 ARG 72 14.495 12.567 -7.543 437 HE ARG 72 HE ARG 72 15.753 13.081 -9.378 438 HH11 ARG 72 HH11 ARG 72 13.177 15.407 -9.093 439 HH12 ARG 72 HH12 ARG 72 13.767 16.411 -10.375 440 HH21 ARG 72 HH21 ARG 72 16.539 14.396 -11.068 441 HH22 ARG 72 HH22 ARG 72 15.679 15.835 -11.499 442 H CYS 73 H CYS 73 12.041 11.690 -4.716 443 HA CYS 73 HA CYS 73 9.268 11.547 -3.890 444 HB2 CYS 73 HB1 CYS 73 9.660 9.895 -2.126 445 HB3 CYS 73 HB2 CYS 73 9.962 9.205 -3.721 446 H GLN 74 H GLN 74 8.961 12.269 -1.658 447 HA GLN 74 HA GLN 74 11.160 14.020 -0.776 448 HB2 GLN 74 HB1 GLN 74 8.346 14.546 -1.296 449 HB3 GLN 74 HB2 GLN 74 8.818 15.025 0.343 450 HG2 GLN 74 HG1 GLN 74 10.099 16.733 -0.361 451 HG3 GLN 74 HG2 GLN 74 10.667 15.849 -1.785 452 HE21 GLN 74 HE21 GLN 74 9.319 18.574 -1.137 453 HE22 GLN 74 HE22 GLN 74 8.146 18.724 -2.397 454 H ARG 75 H ARG 75 8.838 11.614 0.120 455 HA ARG 75 HA ARG 75 10.027 11.516 2.800 456 HB2 ARG 75 HB1 ARG 75 7.277 12.150 2.141 457 HB3 ARG 75 HB2 ARG 75 7.376 10.693 3.139 458 HG2 ARG 75 HG1 ARG 75 8.634 11.887 4.838 459 HG3 ARG 75 HG2 ARG 75 8.629 13.342 3.828 460 HD2 ARG 75 HD1 ARG 75 6.384 13.763 4.179 461 HD3 ARG 75 HD2 ARG 75 6.029 12.067 4.538 462 HE ARG 75 HE ARG 75 7.735 13.254 6.499 463 HH11 ARG 75 HH11 ARG 75 4.428 12.925 5.466 464 HH12 ARG 75 HH12 ARG 75 3.770 13.203 7.046 465 HH21 ARG 75 HH21 ARG 75 6.882 13.621 8.583 466 HH22 ARG 75 HH22 ARG 75 5.167 13.599 8.817 467 H ASP 76 H ASP 76 9.924 9.441 3.818 468 HA ASP 76 HA ASP 76 10.154 7.279 1.927 469 HB2 ASP 76 HB1 ASP 76 10.226 6.904 4.908 470 HB3 ASP 76 HB2 ASP 76 11.135 6.051 3.651 471 HD2 ASP 76 HD ASP 76 12.570 9.482 5.003 472 H ALA 77 H ALA 77 7.771 8.467 4.135 473 HA ALA 77 HA ALA 77 6.267 6.051 4.367 474 HB1 ALA 77 HB1 ALA 77 4.460 7.989 4.928 475 HB2 ALA 77 HB2 ALA 77 5.626 7.350 6.087 476 HB3 ALA 77 HB3 ALA 77 5.972 8.847 5.221 477 H MET 78 H MET 78 6.384 8.671 2.079 478 HA MET 78 HA MET 78 3.882 7.924 0.819 479 HB2 MET 78 HB1 MET 78 4.337 9.744 -0.737 480 HB3 MET 78 HB2 MET 78 4.535 10.289 0.936 481 HG2 MET 78 HG1 MET 78 6.785 10.591 0.738 482 HG3 MET 78 HG2 MET 78 6.950 9.314 -0.469 483 HE1 MET 78 HE1 MET 78 6.387 10.643 -3.733 484 HE2 MET 78 HE2 MET 78 5.886 9.364 -2.628 485 HE3 MET 78 HE3 MET 78 4.756 10.647 -3.063 486 H CYS 79 H CYS 79 7.222 7.178 0.540 487 HA CYS 79 HA CYS 79 7.365 6.484 -2.182 488 HB2 CYS 79 HB1 CYS 79 9.049 6.344 0.112 489 HB3 CYS 79 HB2 CYS 79 9.036 4.749 -0.643 490 H CYS 80 H CYS 80 7.661 4.230 -3.000 491 HA CYS 80 HA CYS 80 5.352 2.738 -2.764 492 HB2 CYS 80 HB1 CYS 80 8.113 2.130 -3.752 493 HB3 CYS 80 HB2 CYS 80 6.946 0.815 -3.619 494 HA PRO 81 HA PRO 81 5.603 0.309 0.880 495 HB2 PRO 81 HB1 PRO 81 4.570 -2.090 0.059 496 HB3 PRO 81 HB2 PRO 81 3.599 -0.635 0.272 497 HG2 PRO 81 HG1 PRO 81 4.789 -1.775 -2.234 498 HG3 PRO 81 HG2 PRO 81 3.130 -1.129 -1.951 499 HD2 PRO 81 HD1 PRO 81 5.068 0.304 -3.201 500 HD3 PRO 81 HD2 PRO 81 3.837 1.054 -2.170 501 H GLY 82 H GLY 82 7.470 -0.353 1.738 502 HA2 GLY 82 HA2 GLY 82 9.080 -2.008 2.204 503 HA3 GLY 82 HA3 GLY 82 8.770 -2.721 0.629 504 HA1 GLY 82 HA1 GLY 82 9.061 -1.143 2.023 505 H THR 83 H THR 83 9.273 0.694 0.858 506 HA THR 83 HA THR 83 12.073 0.402 0.029 507 HB THR 83 HB THR 83 11.213 2.518 -1.516 508 HG1 THR 83 HG1 THR 83 9.326 0.423 -1.880 509 HG21 THR 83 HG21 THR 83 11.107 0.287 -3.191 510 HG22 THR 83 HG22 THR 83 12.206 -0.170 -1.890 511 HG23 THR 83 HG23 THR 83 12.519 1.283 -2.838 512 H LEU 84 H LEU 84 13.089 2.691 -0.160 513 HA LEU 84 HA LEU 84 12.030 4.440 1.951 514 HB2 LEU 84 HB1 LEU 84 14.520 2.944 1.929 515 HB3 LEU 84 HB2 LEU 84 14.791 4.687 2.106 516 HG LEU 84 HG LEU 84 13.017 4.507 4.002 517 HD11 LEU 84 HD11 LEU 84 13.338 2.235 5.148 518 HD12 LEU 84 HD12 LEU 84 13.817 1.654 3.554 519 HD13 LEU 84 HD13 LEU 84 12.207 2.333 3.798 520 HD21 LEU 84 HD21 LEU 84 14.735 4.393 5.556 521 HD22 LEU 84 HD22 LEU 84 15.569 4.901 4.088 522 HD23 LEU 84 HD23 LEU 84 15.649 3.219 4.611 523 H CYS 85 H CYS 85 12.976 6.639 1.894 524 HA CYS 85 HA CYS 85 13.315 7.490 -0.887 525 HB2 CYS 85 HB1 CYS 85 11.541 8.458 0.717 526 HB3 CYS 85 HB2 CYS 85 12.887 9.319 1.465 527 H VAL 86 H VAL 86 15.346 7.673 -1.554 528 HA VAL 86 HA VAL 86 17.290 8.976 0.232 529 HB VAL 86 HB VAL 86 17.860 6.608 -1.558 530 HG11 VAL 86 HG11 VAL 86 20.128 6.716 -0.651 531 HG12 VAL 86 HG12 VAL 86 19.714 8.197 -1.518 532 HG13 VAL 86 HG13 VAL 86 19.703 8.173 0.246 533 HG21 VAL 86 HG21 VAL 86 17.128 5.452 0.214 534 HG22 VAL 86 HG22 VAL 86 18.637 5.943 0.984 535 HG23 VAL 86 HG23 VAL 86 17.161 6.867 1.267 536 H ASN 87 H ASN 87 18.546 10.512 -0.687 537 HA ASN 87 HA ASN 87 19.188 12.094 -2.194 538 HB2 ASN 87 HB1 ASN 87 20.303 9.902 -3.030 539 HB3 ASN 87 HB2 ASN 87 19.100 9.972 -4.323 540 HD21 ASN 87 HD21 ASN 87 19.886 10.797 -6.107 541 HD22 ASN 87 HD22 ASN 87 21.023 12.093 -6.222 542 H ASP 88 H ASP 88 16.404 11.894 -1.766 543 HA ASP 88 HA ASP 88 14.436 12.688 -2.586 544 HB2 ASP 88 HB1 ASP 88 16.035 13.741 -4.928 545 HB3 ASP 88 HB2 ASP 88 14.506 14.362 -4.293 546 HD2 ASP 88 HD ASP 88 16.251 15.719 -1.471 547 H VAL 89 H VAL 89 15.553 10.053 -3.454 548 HA VAL 89 HA VAL 89 13.631 9.588 -5.605 549 HB VAL 89 HB VAL 89 16.490 8.620 -5.750 550 HG11 VAL 89 HG11 VAL 89 14.946 6.977 -6.634 551 HG12 VAL 89 HG12 VAL 89 14.160 8.210 -7.621 552 HG13 VAL 89 HG13 VAL 89 15.828 7.743 -7.955 553 HG21 VAL 89 HG21 VAL 89 15.049 10.576 -7.538 554 HG22 VAL 89 HG22 VAL 89 16.194 11.027 -6.274 555 HG23 VAL 89 HG23 VAL 89 16.736 10.075 -7.654 556 H CYS 90 H CYS 90 12.617 7.642 -5.491 557 HA CYS 90 HA CYS 90 12.669 6.210 -3.074 558 HB2 CYS 90 HB1 CYS 90 10.978 6.360 -5.236 559 HB3 CYS 90 HB2 CYS 90 11.635 4.730 -5.390 560 H THR 91 H THR 91 14.352 5.053 -2.400 561 HA THR 91 HA THR 91 15.681 3.268 -4.334 562 HB THR 91 HB THR 91 16.889 4.589 -1.896 563 HG1 THR 91 HG1 THR 91 17.046 5.061 -4.678 564 HG21 THR 91 HG21 THR 91 18.990 3.567 -2.611 565 HG22 THR 91 HG22 THR 91 18.155 2.756 -3.936 566 HG23 THR 91 HG23 THR 91 17.780 2.331 -2.266 567 H THR 92 H THR 92 16.129 1.169 -3.716 568 HA THR 92 HA THR 92 14.371 -0.015 -1.844 569 HB THR 92 HB THR 92 16.552 -1.782 -2.372 570 HG1 THR 92 HG1 THR 92 17.213 -0.987 -4.223 571 HG21 THR 92 HG21 THR 92 14.052 -2.219 -2.096 572 HG22 THR 92 HG22 THR 92 14.885 -3.129 -3.356 573 HG23 THR 92 HG23 THR 92 13.895 -1.734 -3.783 574 H MET 93 H MET 93 14.840 -1.115 0.105 575 HA MET 93 HA MET 93 16.569 0.266 1.854 576 HB2 MET 93 HB1 MET 93 14.429 -1.213 2.291 577 HB3 MET 93 HB2 MET 93 15.628 -2.500 2.486 578 HG2 MET 93 HG1 MET 93 16.739 -0.619 4.056 579 HG3 MET 93 HG2 MET 93 15.036 -0.189 4.214 580 HE1 MET 93 HE1 MET 93 14.226 -0.549 6.131 581 HE2 MET 93 HE2 MET 93 13.245 -1.996 5.893 582 HE3 MET 93 HE3 MET 93 14.387 -1.915 7.236 583 H GLU 94 H GLU 94 16.867 -2.806 0.138 584 HA GLU 94 HA GLU 94 19.257 -3.656 1.377 585 HB2 GLU 94 HB1 GLU 94 17.748 -4.378 -1.088 586 HB3 GLU 94 HB2 GLU 94 19.438 -4.895 -0.979 587 HG2 GLU 94 HG1 GLU 94 17.368 -5.483 1.133 588 HG3 GLU 94 HG2 GLU 94 17.769 -6.576 -0.199 589 HE2 GLU 94 HE GLU 94 19.828 -7.536 2.601 590 H ASP 95 H ASP 95 18.595 -1.405 -1.177 591 HA ASP 95 HA ASP 95 21.323 -1.333 -2.128 592 HB2 ASP 95 HB1 ASP 95 18.761 -0.403 -3.045 593 HB3 ASP 95 HB2 ASP 95 19.910 0.942 -3.039 594 HD2 ASP 95 HD ASP 95 21.997 -1.070 -5.255 595 H ALA 96 H ALA 96 19.223 0.599 -0.067 596 HA ALA 96 HA ALA 96 20.796 2.874 0.219 597 HB1 ALA 96 HB1 ALA 96 18.552 1.676 1.593 598 HB2 ALA 96 HB2 ALA 96 19.642 2.492 2.713 599 HB3 ALA 96 HB3 ALA 96 18.951 3.378 1.354 600 H THR 97 H THR 97 22.560 3.399 1.395 601 HA THR 97 HA THR 97 23.748 1.279 3.066 602 HB THR 97 HB THR 97 25.638 3.253 2.016 603 HG1 THR 97 HG1 THR 97 25.550 1.983 -0.093 604 HG21 THR 97 HG21 THR 97 26.128 1.074 3.213 605 HG22 THR 97 HG22 THR 97 27.022 1.349 1.718 606 HG23 THR 97 HG23 THR 97 25.638 0.254 1.730 607 H GLU 98 H GLU 98 24.136 4.784 2.490 608 HA GLU 98 HA GLU 98 24.480 6.522 3.923 609 HB2 GLU 98 HB1 GLU 98 22.624 4.852 5.635 610 HB3 GLU 98 HB2 GLU 98 23.039 6.544 5.947 611 HG2 GLU 98 HG1 GLU 98 22.089 6.175 3.237 612 HG3 GLU 98 HG2 GLU 98 20.920 5.592 4.431 613 HE2 GLU 98 HE GLU 98 21.022 8.981 5.836 614 H ASN 99 H ASN 99 26.706 5.342 3.981 615 HA ASN 99 HA ASN 99 27.475 4.021 6.370 616 HB2 ASN 99 HB1 ASN 99 28.616 4.194 3.974 617 HB3 ASN 99 HB2 ASN 99 29.483 5.524 4.753 618 HD21 ASN 99 HD21 ASN 99 31.227 5.055 5.889 619 HD22 ASN 99 HD22 ASN 99 31.676 3.484 6.449 620 H LEU 100 H LEU 100 29.121 4.863 7.894 621 HA LEU 100 HA LEU 100 28.305 7.473 8.854 622 HB2 LEU 100 HB1 LEU 100 30.231 5.446 10.007 623 HB3 LEU 100 HB2 LEU 100 29.686 6.928 10.814 624 HG LEU 100 HG LEU 100 28.007 4.520 10.124 625 HD11 LEU 100 HD11 LEU 100 29.091 5.661 12.679 626 HD12 LEU 100 HD12 LEU 100 29.255 4.025 12.043 627 HD13 LEU 100 HD13 LEU 100 27.696 4.581 12.653 628 HD21 LEU 100 HD21 LEU 100 27.241 7.204 11.252 629 HD22 LEU 100 HD22 LEU 100 26.229 5.766 11.388 630 HD23 LEU 100 HD23 LEU 100 26.620 6.422 9.798 631 H TYR 101 H TYR 101 30.261 8.734 9.941 632 HA TYR 101 HA TYR 101 32.723 8.726 8.494 633 HB2 TYR 101 HB1 TYR 101 32.404 11.069 7.572 634 HB3 TYR 101 HB2 TYR 101 31.537 9.780 6.734 635 HD1 TYR 101 HD1 TYR 101 30.942 12.166 9.554 636 HD2 TYR 101 HD2 TYR 101 29.340 10.164 6.159 637 HE1 TYR 101 HE1 TYR 101 28.819 13.371 9.851 638 HE2 TYR 101 HE2 TYR 101 27.213 11.364 6.446 639 HH TYR 101 HH TYR 101 26.766 13.984 7.933 640 H PHE 102 H PHE 102 34.089 10.655 9.111 641 HA PHE 102 HA PHE 102 33.335 11.690 11.760 642 HB2 PHE 102 HB1 PHE 102 35.557 11.315 12.608 643 HB3 PHE 102 HB2 PHE 102 34.945 9.793 11.958 644 HD1 PHE 102 HD1 PHE 102 35.622 9.168 9.559 645 HD2 PHE 102 HD2 PHE 102 37.622 12.118 11.887 646 HE1 PHE 102 HE1 PHE 102 37.606 8.953 8.121 647 HE2 PHE 102 HE2 PHE 102 39.609 11.907 10.452 648 HZ PHE 102 HZ PHE 102 39.602 10.325 8.566 649 H GLN 103 H GLN 103 34.116 13.740 12.292 650 HA GLN 103 HA GLN 103 35.613 15.188 10.236 651 HB2 GLN 103 HB1 GLN 103 34.063 17.097 10.363 652 HB3 GLN 103 HB2 GLN 103 33.278 15.640 9.732 653 HG2 GLN 103 HG1 GLN 103 32.080 15.271 11.717 654 HG3 GLN 103 HG2 GLN 103 33.094 16.402 12.624 655 HE21 GLN 103 HE21 GLN 103 30.416 16.053 10.481 656 HE22 GLN 103 HE22 GLN 103 29.885 17.695 10.530 657 H SER 104 H SER 104 35.751 17.646 11.212 658 HA SER 104 HA SER 104 36.787 18.967 12.746 659 HB2 SER 104 HB1 SER 104 35.725 17.043 14.835 660 HB3 SER 104 HB2 SER 104 36.164 18.748 15.057 661 HG SER 104 HG SER 104 34.434 18.966 13.257 662 H LEU 105 H LEU 105 38.389 18.846 14.701 663 HA LEU 105 HA LEU 105 39.905 16.533 15.160 664 HB2 LEU 105 HB1 LEU 105 40.345 17.378 12.630 665 HB3 LEU 105 HB2 LEU 105 41.574 18.311 13.503 666 HG LEU 105 HG LEU 105 41.457 15.403 14.061 667 HD11 LEU 105 HD11 LEU 105 41.461 14.890 11.876 668 HD12 LEU 105 HD12 LEU 105 43.140 15.426 11.939 669 HD13 LEU 105 HD13 LEU 105 41.882 16.531 11.383 670 HD21 LEU 105 HD21 LEU 105 44.003 15.893 13.769 671 HD22 LEU 105 HD22 LEU 105 43.158 16.442 15.217 672 HD23 LEU 105 HD23 LEU 105 43.498 17.577 13.910 673 H GLU 106 H GLU 106 40.640 16.945 17.128 674 HA GLU 106 HA GLU 106 41.021 19.637 18.061 675 HB2 GLU 106 HB1 GLU 106 40.287 17.328 19.282 676 HB3 GLU 106 HB2 GLU 106 42.000 17.403 19.726 677 HG2 GLU 106 HG1 GLU 106 41.529 19.802 20.476 678 HG3 GLU 106 HG2 GLU 106 39.821 19.355 20.370 679 HE2 GLU 106 HE GLU 106 41.941 17.450 23.145 680 H HIS 107 H HIS 107 43.040 20.191 19.318 681 HA HIS 107 HA HIS 107 45.270 20.638 19.353 682 HB2 HIS 107 HB1 HIS 107 45.135 17.980 19.568 683 HB3 HIS 107 HB2 HIS 107 45.964 18.070 18.011 684 HD1 HIS 107 HD1 HIS 107 47.469 20.824 19.100 685 HD2 HIS 107 HD2 HIS 107 47.594 16.968 20.641 686 HE1 HIS 107 HE1 HIS 107 49.606 20.696 20.420 687 HE2 HIS 107 HE2 HIS 107 49.683 18.338 21.361 688 H HIS 108 H HIS 108 45.552 22.274 17.938 689 HA HIS 108 HA HIS 108 46.828 21.724 15.446 690 HB2 HIS 108 HB1 HIS 108 44.173 21.567 15.172 691 HB3 HIS 108 HB2 HIS 108 44.347 23.320 15.032 692 HD1 HIS 108 HD1 HIS 108 45.112 20.147 13.230 693 HD2 HIS 108 HD2 HIS 108 45.662 24.234 12.721 694 HE1 HIS 108 HE1 HIS 108 45.816 20.438 10.833 695 HE2 HIS 108 HE2 HIS 108 46.152 22.935 10.520 696 H HIS 109 H HIS 109 48.112 23.388 14.866 697 HA HIS 109 HA HIS 109 47.540 26.075 15.844 698 HB2 HIS 109 HB1 HIS 109 49.911 26.295 16.673 699 HB3 HIS 109 HB2 HIS 109 48.865 25.266 17.654 700 HD1 HIS 109 HD1 HIS 109 51.136 24.579 14.667 701 HD2 HIS 109 HD2 HIS 109 50.228 23.081 18.433 702 HE1 HIS 109 HE1 HIS 109 52.607 22.561 14.960 703 HE2 HIS 109 HE2 HIS 109 52.053 21.644 17.262 704 H HIS 110 H HIS 110 48.874 27.721 14.829 705 HA HIS 110 HA HIS 110 50.379 26.887 12.474 706 HB2 HIS 110 HB1 HIS 110 47.759 28.283 12.441 707 HB3 HIS 110 HB2 HIS 110 48.993 28.902 11.338 708 HD1 HIS 110 HD1 HIS 110 46.290 27.245 10.633 709 HD2 HIS 110 HD2 HIS 110 50.215 25.889 10.505 710 HE1 HIS 110 HE1 HIS 110 46.281 25.312 9.023 711 HE2 HIS 110 HE2 HIS 110 48.681 24.483 8.944 712 H HIS 111 H HIS 111 51.865 28.417 11.735 713 HA HIS 111 HA HIS 111 52.014 30.994 13.076 714 HB2 HIS 111 HB1 HIS 111 54.079 28.814 13.371 715 HB3 HIS 111 HB2 HIS 111 54.496 30.519 13.573 716 HD1 HIS 111 HD1 HIS 111 53.430 27.698 15.489 717 HD2 HIS 111 HD2 HIS 111 52.733 31.791 15.651 718 HE1 HIS 111 HE1 HIS 111 52.604 28.148 17.821 719 HE2 HIS 111 HE2 HIS 111 52.178 30.649 17.921 720 H HIS 112 H HIS 112 52.174 32.345 11.416 721 HA HIS 112 HA HIS 112 54.382 32.148 9.587 722 HB2 HIS 112 HB1 HIS 112 52.067 30.852 8.807 723 HB3 HIS 112 HB2 HIS 112 51.927 32.427 8.019 724 HD1 HIS 112 HD1 HIS 112 53.819 29.247 7.872 725 HD2 HIS 112 HD2 HIS 112 53.951 33.005 6.104 726 HE1 HIS 112 HE1 HIS 112 55.353 29.006 5.894 727 HE2 HIS 112 HE2 HIS 112 55.435 31.303 4.812 Start of MODEL 38 1 H1 MET 18 H MET 18 -23.009 -56.486 -7.095 2 HA MET 18 HA MET 18 -22.327 -54.613 -8.639 3 HB2 MET 18 HB1 MET 18 -23.661 -56.520 -10.414 4 HB3 MET 18 HB2 MET 18 -24.227 -54.857 -10.624 5 HG2 MET 18 HG1 MET 18 -21.752 -54.212 -10.766 6 HG3 MET 18 HG2 MET 18 -21.458 -55.940 -10.979 7 HE1 MET 18 HE1 MET 18 -21.196 -53.906 -14.477 8 HE2 MET 18 HE2 MET 18 -21.527 -52.875 -13.085 9 HE3 MET 18 HE3 MET 18 -20.336 -54.170 -12.959 10 H LEU 19 H LEU 19 -23.350 -52.780 -8.102 11 HA LEU 19 HA LEU 19 -26.220 -52.652 -7.863 12 HB2 LEU 19 HB1 LEU 19 -24.531 -53.111 -5.549 13 HB3 LEU 19 HB2 LEU 19 -25.452 -51.605 -5.406 14 HG LEU 19 HG LEU 19 -26.846 -54.155 -6.127 15 HD11 LEU 19 HD11 LEU 19 -26.451 -55.088 -4.158 16 HD12 LEU 19 HD12 LEU 19 -27.103 -53.665 -3.346 17 HD13 LEU 19 HD13 LEU 19 -25.384 -53.752 -3.727 18 HD21 LEU 19 HD21 LEU 19 -28.136 -52.148 -6.339 19 HD22 LEU 19 HD22 LEU 19 -27.640 -51.600 -4.737 20 HD23 LEU 19 HD23 LEU 19 -28.688 -53.010 -4.902 21 H VAL 20 H VAL 20 -26.993 -50.475 -7.459 22 HA VAL 20 HA VAL 20 -24.991 -48.443 -8.203 23 HB VAL 20 HB VAL 20 -26.753 -48.865 -9.910 24 HG11 VAL 20 HG11 VAL 20 -28.479 -49.152 -7.902 25 HG12 VAL 20 HG12 VAL 20 -28.768 -47.449 -8.263 26 HG13 VAL 20 HG13 VAL 20 -28.982 -48.666 -9.521 27 HG21 VAL 20 HG21 VAL 20 -27.196 -46.553 -10.372 28 HG22 VAL 20 HG22 VAL 20 -26.949 -46.118 -8.681 29 HG23 VAL 20 HG23 VAL 20 -25.589 -46.676 -9.657 30 H LEU 21 H LEU 21 -24.940 -46.504 -7.117 31 HA LEU 21 HA LEU 21 -26.183 -46.504 -4.495 32 HB2 LEU 21 HB1 LEU 21 -24.410 -44.349 -5.624 33 HB3 LEU 21 HB2 LEU 21 -24.693 -44.776 -3.927 34 HG LEU 21 HG LEU 21 -23.132 -46.407 -5.929 35 HD11 LEU 21 HD11 LEU 21 -21.915 -45.305 -3.472 36 HD12 LEU 21 HD12 LEU 21 -22.270 -44.164 -4.768 37 HD13 LEU 21 HD13 LEU 21 -21.221 -45.548 -5.076 38 HD21 LEU 21 HD21 LEU 21 -24.350 -47.774 -4.271 39 HD22 LEU 21 HD22 LEU 21 -23.553 -46.874 -2.980 40 HD23 LEU 21 HD23 LEU 21 -22.599 -47.865 -4.083 41 H ASP 22 H ASP 22 -27.654 -45.024 -3.747 42 HA ASP 22 HA ASP 22 -28.889 -43.300 -5.793 43 HB2 ASP 22 HB1 ASP 22 -30.498 -44.915 -5.182 44 HB3 ASP 22 HB2 ASP 22 -30.075 -44.803 -3.468 45 HD2 ASP 22 HD ASP 22 -32.142 -41.700 -4.837 46 H PHE 23 H PHE 23 -29.035 -43.407 -2.239 47 HA PHE 23 HA PHE 23 -28.854 -41.769 -0.668 48 HB2 PHE 23 HB1 PHE 23 -26.793 -40.695 -2.613 49 HB3 PHE 23 HB2 PHE 23 -26.955 -40.213 -0.923 50 HD1 PHE 23 HD1 PHE 23 -24.788 -41.838 -2.794 51 HD2 PHE 23 HD2 PHE 23 -27.353 -42.700 0.491 52 HE1 PHE 23 HE1 PHE 23 -23.289 -43.665 -2.109 53 HE2 PHE 23 HE2 PHE 23 -25.858 -44.528 1.182 54 HZ PHE 23 HZ PHE 23 -23.823 -45.012 -0.118 55 H ASN 24 H ASN 24 -28.567 -39.129 -0.588 56 HA ASN 24 HA ASN 24 -29.908 -37.684 -2.626 57 HB2 ASN 24 HB1 ASN 24 -31.581 -39.098 -0.786 58 HB3 ASN 24 HB2 ASN 24 -31.745 -37.366 -0.475 59 HD21 ASN 24 HD21 ASN 24 -33.860 -37.358 -1.242 60 HD22 ASN 24 HD22 ASN 24 -34.222 -37.450 -2.929 61 H ASN 25 H ASN 25 -30.452 -35.433 -1.896 62 HA ASN 25 HA ASN 25 -29.543 -34.425 0.576 63 HB2 ASN 25 HB1 ASN 25 -27.485 -34.947 -1.338 64 HB3 ASN 25 HB2 ASN 25 -27.651 -33.195 -1.165 65 HD21 ASN 25 HD21 ASN 25 -25.484 -34.952 -0.322 66 HD22 ASN 25 HD22 ASN 25 -25.303 -34.707 1.378 67 H ILE 26 H ILE 26 -30.337 -32.421 0.878 68 HA ILE 26 HA ILE 26 -31.130 -30.868 -1.492 69 HB ILE 26 HB ILE 26 -32.813 -31.249 0.988 70 HG12 ILE 26 HG11 ILE 26 -34.305 -31.998 -1.215 71 HG13 ILE 26 HG12 ILE 26 -32.692 -32.632 -1.589 72 HG21 ILE 26 HG21 ILE 26 -34.510 -29.992 -0.425 73 HG22 ILE 26 HG22 ILE 26 -33.179 -29.048 0.244 74 HG23 ILE 26 HG23 ILE 26 -33.153 -29.530 -1.453 75 HD11 ILE 26 HD11 ILE 26 -33.108 -34.370 -0.295 76 HD12 ILE 26 HD12 ILE 26 -33.190 -33.288 1.096 77 HD13 ILE 26 HD13 ILE 26 -34.655 -33.678 0.194 78 H ARG 27 H ARG 27 -30.255 -28.915 -1.470 79 HA ARG 27 HA ARG 27 -30.141 -27.355 0.959 80 HB2 ARG 27 HB1 ARG 27 -27.713 -26.898 0.775 81 HB3 ARG 27 HB2 ARG 27 -28.070 -28.584 1.181 82 HG2 ARG 27 HG1 ARG 27 -27.695 -29.246 -1.142 83 HG3 ARG 27 HG2 ARG 27 -27.341 -27.560 -1.555 84 HD2 ARG 27 HD1 ARG 27 -25.197 -28.060 -1.135 85 HD3 ARG 27 HD2 ARG 27 -25.666 -28.018 0.571 86 HE ARG 27 HE ARG 27 -26.201 -30.577 -0.450 87 HH11 ARG 27 HH11 ARG 27 -23.509 -28.518 0.346 88 HH12 ARG 27 HH12 ARG 27 -22.439 -29.833 0.700 89 HH21 ARG 27 HH21 ARG 27 -24.801 -32.318 0.013 90 HH22 ARG 27 HH22 ARG 27 -23.176 -31.995 0.510 91 H SER 28 H SER 28 -28.967 -25.178 0.427 92 HA SER 28 HA SER 28 -29.001 -24.322 -2.298 93 HB2 SER 28 HB1 SER 28 -31.504 -24.411 -1.163 94 HB3 SER 28 HB2 SER 28 -31.007 -22.739 -0.846 95 HG SER 28 HG SER 28 -31.595 -23.982 -3.240 96 H SER 29 H SER 29 -29.264 -23.309 1.089 97 HA SER 29 HA SER 29 -28.152 -21.739 2.304 98 HB2 SER 29 HB1 SER 29 -26.057 -21.359 0.212 99 HB3 SER 29 HB2 SER 29 -25.887 -21.567 1.964 100 HG SER 29 HG SER 29 -26.235 -23.759 1.728 101 H ALA 30 H ALA 30 -27.158 -19.431 2.113 102 HA ALA 30 HA ALA 30 -28.338 -17.921 -0.096 103 HB1 ALA 30 HB1 ALA 30 -29.895 -16.847 1.092 104 HB2 ALA 30 HB2 ALA 30 -29.697 -18.140 2.276 105 HB3 ALA 30 HB3 ALA 30 -28.817 -16.624 2.471 106 H ASP 31 H ASP 31 -27.835 -15.427 0.459 107 HA ASP 31 HA ASP 31 -25.391 -14.920 1.829 108 HB2 ASP 31 HB1 ASP 31 -24.139 -14.220 -0.288 109 HB3 ASP 31 HB2 ASP 31 -24.260 -15.954 0.034 110 HD2 ASP 31 HD ASP 31 -25.449 -16.272 -3.161 111 H LEU 32 H LEU 32 -24.564 -12.649 1.262 112 HA LEU 32 HA LEU 32 -26.694 -10.896 0.291 113 HB2 LEU 32 HB1 LEU 32 -25.375 -10.691 3.001 114 HB3 LEU 32 HB2 LEU 32 -26.320 -9.390 2.256 115 HG LEU 32 HG LEU 32 -27.498 -12.104 2.797 116 HD11 LEU 32 HD11 LEU 32 -27.884 -9.777 4.630 117 HD12 LEU 32 HD12 LEU 32 -26.512 -10.862 4.848 118 HD13 LEU 32 HD13 LEU 32 -28.156 -11.494 4.924 119 HD21 LEU 32 HD21 LEU 32 -29.314 -9.935 3.013 120 HD22 LEU 32 HD22 LEU 32 -29.285 -11.232 1.818 121 HD23 LEU 32 HD23 LEU 32 -28.400 -9.735 1.518 122 H HIS 33 H HIS 33 -25.959 -8.709 -0.159 123 HA HIS 33 HA HIS 33 -23.126 -8.688 -0.929 124 HB2 HIS 33 HB1 HIS 33 -25.534 -7.172 -1.941 125 HB3 HIS 33 HB2 HIS 33 -23.884 -6.721 -2.379 126 HD1 HIS 33 HD1 HIS 33 -26.590 -8.713 -3.569 127 HD2 HIS 33 HD2 HIS 33 -22.453 -9.081 -3.593 128 HE1 HIS 33 HE1 HIS 33 -26.076 -10.386 -5.374 129 HE2 HIS 33 HE2 HIS 33 -23.547 -10.613 -5.389 130 H GLY 34 H GLY 34 -25.555 -6.279 0.107 131 HA2 GLY 34 HA2 GLY 34 -25.323 -4.894 2.024 132 HA3 GLY 34 HA3 GLY 34 -23.597 -5.224 2.020 133 HA1 GLY 34 HA1 GLY 34 -25.501 -4.826 1.164 134 H ALA 35 H ALA 35 -23.696 -2.794 2.353 135 HA ALA 35 HA ALA 35 -22.804 -1.514 0.008 136 HB1 ALA 35 HB1 ALA 35 -25.081 0.099 0.665 137 HB2 ALA 35 HB2 ALA 35 -24.620 -0.604 -0.886 138 HB3 ALA 35 HB3 ALA 35 -25.601 -1.533 0.247 139 H ARG 36 H ARG 36 -21.922 0.538 0.413 140 HA ARG 36 HA ARG 36 -22.307 1.867 2.922 141 HB2 ARG 36 HB1 ARG 36 -19.893 1.660 3.611 142 HB3 ARG 36 HB2 ARG 36 -20.859 0.190 3.794 143 HG2 ARG 36 HG1 ARG 36 -19.912 -0.760 1.789 144 HG3 ARG 36 HG2 ARG 36 -19.030 0.744 1.469 145 HD2 ARG 36 HD1 ARG 36 -17.316 -0.139 2.598 146 HD3 ARG 36 HD2 ARG 36 -18.296 0.081 4.055 147 HE ARG 36 HE ARG 36 -18.909 -2.362 2.716 148 HH11 ARG 36 HH11 ARG 36 -16.641 -0.833 4.868 149 HH12 ARG 36 HH12 ARG 36 -16.157 -2.316 5.623 150 HH21 ARG 36 HH21 ARG 36 -18.281 -4.322 3.702 151 HH22 ARG 36 HH22 ARG 36 -17.089 -4.299 4.959 152 H LYS 37 H LYS 37 -20.566 3.668 3.149 153 HA LYS 37 HA LYS 37 -19.236 4.579 0.816 154 HB2 LYS 37 HB1 LYS 37 -22.027 5.160 0.968 155 HB3 LYS 37 HB2 LYS 37 -21.132 6.672 1.195 156 HG2 LYS 37 HG1 LYS 37 -19.958 6.359 -0.890 157 HG3 LYS 37 HG2 LYS 37 -20.718 4.772 -1.104 158 HD2 LYS 37 HD1 LYS 37 -22.503 7.130 -0.719 159 HD3 LYS 37 HD2 LYS 37 -21.674 6.951 -2.275 160 HE2 LYS 37 HE1 LYS 37 -22.783 4.419 -1.442 161 HE3 LYS 37 HE2 LYS 37 -24.027 5.677 -1.433 162 HZ1 LYS 37 HZ1 LYS 37 -23.466 6.223 -3.713 163 HZ2 LYS 37 HZ2 LYS 37 -23.872 4.586 -3.587 164 HZ3 LYS 37 HZ3 LYS 37 -22.250 5.045 -3.729 165 H GLY 38 H GLY 38 -18.697 7.052 1.113 166 HA2 GLY 38 HA2 GLY 38 -18.770 8.476 3.404 167 HA3 GLY 38 HA3 GLY 38 -17.550 7.263 3.761 168 HA1 GLY 38 HA1 GLY 38 -18.744 8.513 2.523 169 H SER 39 H SER 39 -16.078 9.064 3.992 170 HA SER 39 HA SER 39 -15.468 10.877 1.949 171 HB2 SER 39 HB1 SER 39 -14.077 9.875 4.391 172 HB3 SER 39 HB2 SER 39 -13.099 10.728 3.185 173 HG SER 39 HG SER 39 -15.274 11.681 4.696 174 H GLN 40 H GLN 40 -13.172 10.915 0.937 175 HA GLN 40 HA GLN 40 -13.031 8.947 -1.015 176 HB2 GLN 40 HB1 GLN 40 -11.106 11.009 -0.004 177 HB3 GLN 40 HB2 GLN 40 -10.562 9.816 -1.194 178 HG2 GLN 40 HG1 GLN 40 -11.291 11.949 -2.208 179 HG3 GLN 40 HG2 GLN 40 -12.203 10.543 -2.774 180 HE21 GLN 40 HE21 GLN 40 -12.324 13.089 -0.316 181 HE22 GLN 40 HE22 GLN 40 -14.037 13.305 -0.375 182 H CYS 41 H CYS 41 -10.513 9.414 1.463 183 HA CYS 41 HA CYS 41 -10.496 6.580 2.065 184 HB2 CYS 41 HB1 CYS 41 -8.040 6.386 1.588 185 HB3 CYS 41 HB2 CYS 41 -9.057 6.535 0.154 186 H LEU 42 H LEU 42 -9.544 6.098 4.030 187 HA LEU 42 HA LEU 42 -9.156 8.359 5.792 188 HB2 LEU 42 HB1 LEU 42 -10.190 5.815 6.097 189 HB3 LEU 42 HB2 LEU 42 -8.616 5.721 6.905 190 HG LEU 42 HG LEU 42 -10.439 7.980 7.586 191 HD11 LEU 42 HD11 LEU 42 -10.980 5.129 8.070 192 HD12 LEU 42 HD12 LEU 42 -12.076 6.510 8.054 193 HD13 LEU 42 HD13 LEU 42 -11.097 6.179 9.482 194 HD21 LEU 42 HD21 LEU 42 -9.320 7.908 9.665 195 HD22 LEU 42 HD22 LEU 42 -8.072 7.715 8.433 196 HD23 LEU 42 HD23 LEU 42 -8.648 6.312 9.335 197 H SER 43 H SER 43 -7.230 5.901 4.236 198 HA SER 43 HA SER 43 -4.812 7.291 5.071 199 HB2 SER 43 HB1 SER 43 -5.097 4.296 5.458 200 HB3 SER 43 HB2 SER 43 -3.696 5.300 5.873 201 HG SER 43 HG SER 43 -5.234 6.456 7.299 202 H ASP 44 H ASP 44 -2.847 6.147 3.978 203 HA ASP 44 HA ASP 44 -3.323 6.203 1.178 204 HB2 ASP 44 HB1 ASP 44 -1.004 6.020 0.909 205 HB3 ASP 44 HB2 ASP 44 -1.180 6.844 2.463 206 HD2 ASP 44 HD ASP 44 0.464 3.274 2.398 207 H THR 45 H THR 45 -3.146 3.673 3.547 208 HA THR 45 HA THR 45 -2.868 1.566 1.578 209 HB THR 45 HB THR 45 -3.456 0.164 3.751 210 HG1 THR 45 HG1 THR 45 -3.216 1.247 5.597 211 HG21 THR 45 HG21 THR 45 -1.325 -0.368 3.369 212 HG22 THR 45 HG22 THR 45 -0.841 1.041 4.313 213 HG23 THR 45 HG23 THR 45 -1.046 1.177 2.567 214 H ASP 46 H ASP 46 -5.339 3.510 2.304 215 HA ASP 46 HA ASP 46 -7.490 1.709 2.747 216 HB2 ASP 46 HB1 ASP 46 -7.331 4.314 3.062 217 HB3 ASP 46 HB2 ASP 46 -7.878 4.345 1.381 218 HD2 ASP 46 HD ASP 46 -11.099 3.873 2.391 219 H CYS 47 H CYS 47 -5.787 2.778 -0.078 220 HA CYS 47 HA CYS 47 -7.764 2.113 -2.003 221 HB2 CYS 47 HB1 CYS 47 -5.154 3.220 -1.997 222 HB3 CYS 47 HB2 CYS 47 -5.112 1.818 -3.065 223 H ASN 48 H ASN 48 -7.746 0.331 -3.487 224 HA ASN 48 HA ASN 48 -7.470 -2.176 -2.221 225 HB2 ASN 48 HB1 ASN 48 -8.103 -1.259 -5.004 226 HB3 ASN 48 HB2 ASN 48 -7.743 -2.967 -4.723 227 HD21 ASN 48 HD21 ASN 48 -10.100 -2.718 -5.640 228 HD22 ASN 48 HD22 ASN 48 -11.334 -2.788 -4.433 229 H THR 49 H THR 49 -5.696 -0.846 -5.017 230 HA THR 49 HA THR 49 -3.649 -2.875 -4.748 231 HB THR 49 HB THR 49 -2.833 -0.859 -6.580 232 HG1 THR 49 HG1 THR 49 -4.895 -0.100 -6.804 233 HG21 THR 49 HG21 THR 49 -2.190 -2.894 -7.313 234 HG22 THR 49 HG22 THR 49 -3.752 -2.889 -8.130 235 HG23 THR 49 HG23 THR 49 -3.572 -3.706 -6.579 236 H ARG 50 H ARG 50 -1.304 -1.823 -5.218 237 HA ARG 50 HA ARG 50 -0.655 -0.453 -2.783 238 HB2 ARG 50 HB1 ARG 50 1.197 -0.994 -5.108 239 HB3 ARG 50 HB2 ARG 50 1.629 -0.749 -3.409 240 HG2 ARG 50 HG1 ARG 50 1.661 -2.958 -3.188 241 HG3 ARG 50 HG2 ARG 50 -0.101 -2.917 -3.365 242 HD2 ARG 50 HD1 ARG 50 0.760 -4.498 -4.950 243 HD3 ARG 50 HD2 ARG 50 0.205 -3.070 -5.834 244 HE ARG 50 HE ARG 50 2.918 -2.723 -5.303 245 HH11 ARG 50 HH11 ARG 50 0.857 -4.847 -7.138 246 HH12 ARG 50 HH12 ARG 50 2.053 -5.174 -8.348 247 HH21 ARG 50 HH21 ARG 50 4.500 -3.146 -6.890 248 HH22 ARG 50 HH22 ARG 50 4.125 -4.207 -8.206 249 H LYS 51 H LYS 51 -1.991 1.463 -3.284 250 HA LYS 51 HA LYS 51 -0.416 3.432 -4.800 251 HB2 LYS 51 HB1 LYS 51 -3.323 2.779 -4.999 252 HB3 LYS 51 HB2 LYS 51 -2.832 4.471 -5.170 253 HG2 LYS 51 HG1 LYS 51 -2.602 3.973 -7.339 254 HG3 LYS 51 HG2 LYS 51 -1.069 3.243 -6.831 255 HD2 LYS 51 HD1 LYS 51 -2.232 1.071 -6.534 256 HD3 LYS 51 HD2 LYS 51 -3.711 1.821 -7.158 257 HE2 LYS 51 HE1 LYS 51 -2.384 2.423 -9.240 258 HE3 LYS 51 HE2 LYS 51 -1.119 1.355 -8.614 259 HZ1 LYS 51 HZ1 LYS 51 -3.913 0.465 -9.050 260 HZ2 LYS 51 HZ2 LYS 51 -2.561 -0.501 -8.733 261 HZ3 LYS 51 HZ3 LYS 51 -2.697 0.304 -10.215 262 H PHE 52 H PHE 52 -0.580 5.607 -4.059 263 HA PHE 52 HA PHE 52 -1.297 5.774 -1.217 264 HB2 PHE 52 HB1 PHE 52 0.147 7.846 -1.250 265 HB3 PHE 52 HB2 PHE 52 0.995 6.329 -1.560 266 HD1 PHE 52 HD1 PHE 52 -0.666 9.100 -3.416 267 HD2 PHE 52 HD2 PHE 52 2.428 6.178 -3.353 268 HE1 PHE 52 HE1 PHE 52 0.228 10.008 -5.521 269 HE2 PHE 52 HE2 PHE 52 3.328 7.082 -5.457 270 HZ PHE 52 HZ PHE 52 2.229 8.999 -6.543 271 H CYS 53 H CYS 53 -2.437 7.581 -0.411 272 HA CYS 53 HA CYS 53 -4.419 8.593 -2.255 273 HB2 CYS 53 HB1 CYS 53 -4.031 8.695 0.722 274 HB3 CYS 53 HB2 CYS 53 -5.195 9.770 -0.053 275 H LEU 54 H LEU 54 -3.431 10.065 -3.592 276 HA LEU 54 HA LEU 54 -1.828 12.211 -2.499 277 HB2 LEU 54 HB1 LEU 54 -1.199 11.251 -4.631 278 HB3 LEU 54 HB2 LEU 54 -2.794 11.638 -5.296 279 HG LEU 54 HG LEU 54 -1.731 14.081 -4.420 280 HD11 LEU 54 HD11 LEU 54 0.466 12.984 -4.309 281 HD12 LEU 54 HD12 LEU 54 0.399 14.225 -5.559 282 HD13 LEU 54 HD13 LEU 54 0.307 12.521 -6.003 283 HD21 LEU 54 HD21 LEU 54 -3.098 13.204 -6.527 284 HD22 LEU 54 HD22 LEU 54 -1.501 13.295 -7.270 285 HD23 LEU 54 HD23 LEU 54 -2.220 14.733 -6.541 286 H GLN 55 H GLN 55 -2.550 14.143 -1.893 287 HA GLN 55 HA GLN 55 -5.242 14.964 -2.765 288 HB2 GLN 55 HB1 GLN 55 -5.337 16.226 -0.566 289 HB3 GLN 55 HB2 GLN 55 -5.434 14.460 -0.461 290 HG2 GLN 55 HG1 GLN 55 -2.690 15.290 -0.304 291 HG3 GLN 55 HG2 GLN 55 -3.665 16.168 0.882 292 HE21 GLN 55 HE21 GLN 55 -3.152 15.197 2.739 293 HE22 GLN 55 HE22 GLN 55 -3.336 13.510 3.061 294 HA PRO 56 HA PRO 56 -2.374 18.168 -4.343 295 HB2 PRO 56 HB1 PRO 56 -3.899 18.754 -6.540 296 HB3 PRO 56 HB2 PRO 56 -2.748 17.419 -6.481 297 HG2 PRO 56 HG1 PRO 56 -5.717 17.392 -6.052 298 HG3 PRO 56 HG2 PRO 56 -4.695 16.270 -7.027 299 HD2 PRO 56 HD1 PRO 56 -5.613 15.638 -4.551 300 HD3 PRO 56 HD2 PRO 56 -4.043 15.083 -5.161 301 H ARG 57 H ARG 57 -2.538 20.391 -4.234 302 HA ARG 57 HA ARG 57 -4.813 21.415 -2.777 303 HB2 ARG 57 HB1 ARG 57 -2.106 22.021 -2.856 304 HB3 ARG 57 HB2 ARG 57 -2.869 23.397 -3.664 305 HG2 ARG 57 HG1 ARG 57 -4.490 23.267 -1.565 306 HG3 ARG 57 HG2 ARG 57 -3.057 22.517 -0.842 307 HD2 ARG 57 HD1 ARG 57 -2.110 24.756 -2.255 308 HD3 ARG 57 HD2 ARG 57 -3.573 25.288 -1.417 309 HE ARG 57 HE ARG 57 -2.000 23.838 0.389 310 HH11 ARG 57 HH11 ARG 57 -1.948 26.840 -1.373 311 HH12 ARG 57 HH12 ARG 57 -0.983 27.665 -0.196 312 HH21 ARG 57 HH21 ARG 57 -0.728 24.915 1.947 313 HH22 ARG 57 HH22 ARG 57 -0.289 26.570 1.693 314 H ASP 58 H ASP 58 -3.603 21.464 -6.026 315 HA ASP 58 HA ASP 58 -5.395 23.616 -6.825 316 HB2 ASP 58 HB1 ASP 58 -2.928 22.919 -7.714 317 HB3 ASP 58 HB2 ASP 58 -3.943 22.081 -8.894 318 HD2 ASP 58 HD ASP 58 -3.858 26.033 -8.962 319 H GLU 59 H GLU 59 -5.274 20.173 -6.772 320 HA GLU 59 HA GLU 59 -7.766 20.076 -8.341 321 HB2 GLU 59 HB1 GLU 59 -5.305 18.694 -8.769 322 HB3 GLU 59 HB2 GLU 59 -6.534 17.510 -8.296 323 HG2 GLU 59 HG1 GLU 59 -7.836 17.891 -10.152 324 HG3 GLU 59 HG2 GLU 59 -7.194 19.523 -10.388 325 HE2 GLU 59 HE GLU 59 -4.516 16.844 -11.480 326 H LYS 60 H LYS 60 -8.806 17.743 -7.852 327 HA LYS 60 HA LYS 60 -9.447 17.839 -5.029 328 HB2 LYS 60 HB1 LYS 60 -11.297 16.450 -5.531 329 HB3 LYS 60 HB2 LYS 60 -11.157 17.581 -6.886 330 HG2 LYS 60 HG1 LYS 60 -9.676 15.600 -7.883 331 HG3 LYS 60 HG2 LYS 60 -10.724 14.656 -6.807 332 HD2 LYS 60 HD1 LYS 60 -12.708 15.713 -7.859 333 HD3 LYS 60 HD2 LYS 60 -11.619 16.538 -8.989 334 HE2 LYS 60 HE1 LYS 60 -11.178 14.648 -10.183 335 HE3 LYS 60 HE2 LYS 60 -11.313 13.604 -8.760 336 HZ1 LYS 60 HZ1 LYS 60 -13.509 13.306 -9.070 337 HZ2 LYS 60 HZ2 LYS 60 -13.145 13.699 -10.673 338 HZ3 LYS 60 HZ3 LYS 60 -13.774 14.878 -9.636 339 HA PRO 61 HA PRO 61 -6.984 14.461 -3.689 340 HB2 PRO 61 HB1 PRO 61 -8.579 13.390 -1.735 341 HB3 PRO 61 HB2 PRO 61 -7.723 14.922 -1.563 342 HG2 PRO 61 HG1 PRO 61 -10.573 14.412 -2.343 343 HG3 PRO 61 HG2 PRO 61 -9.909 15.614 -1.176 344 HD2 PRO 61 HD1 PRO 61 -10.676 16.281 -3.693 345 HD3 PRO 61 HD2 PRO 61 -9.324 17.071 -2.864 346 H PHE 62 H PHE 62 -6.616 12.372 -4.224 347 HA PHE 62 HA PHE 62 -8.659 10.430 -4.564 348 HB2 PHE 62 HB1 PHE 62 -8.647 10.121 -6.925 349 HB3 PHE 62 HB2 PHE 62 -8.937 11.839 -6.642 350 HD1 PHE 62 HD1 PHE 62 -7.108 9.583 -8.551 351 HD2 PHE 62 HD2 PHE 62 -6.717 13.307 -6.526 352 HE1 PHE 62 HE1 PHE 62 -5.200 10.164 -9.993 353 HE2 PHE 62 HE2 PHE 62 -4.810 13.893 -7.965 354 HZ PHE 62 HZ PHE 62 -4.049 12.322 -9.702 355 H CYS 63 H CYS 63 -7.664 8.449 -5.828 356 HA CYS 63 HA CYS 63 -5.103 7.935 -4.542 357 HB2 CYS 63 HB1 CYS 63 -7.360 6.403 -4.903 358 HB3 CYS 63 HB2 CYS 63 -6.281 5.782 -6.153 359 H ALA 64 H ALA 64 -3.266 8.250 -5.590 360 HA ALA 64 HA ALA 64 -3.271 8.169 -8.528 361 HB1 ALA 64 HB1 ALA 64 -2.387 10.213 -8.088 362 HB2 ALA 64 HB2 ALA 64 -1.744 9.721 -6.521 363 HB3 ALA 64 HB3 ALA 64 -0.901 9.267 -8.002 364 H THR 65 H THR 65 -1.636 7.057 -9.654 365 HA THR 65 HA THR 65 -1.007 4.519 -8.778 366 HB THR 65 HB THR 65 -0.836 4.964 -11.106 367 HG1 THR 65 HG1 THR 65 0.741 3.566 -11.156 368 HG21 THR 65 HG21 THR 65 -0.297 7.324 -11.046 369 HG22 THR 65 HG22 THR 65 0.889 6.477 -12.041 370 HG23 THR 65 HG23 THR 65 1.305 6.973 -10.400 371 H CYS 66 H CYS 66 1.096 3.552 -8.298 372 HA CYS 66 HA CYS 66 2.432 4.998 -6.207 373 HB2 CYS 66 HB1 CYS 66 1.941 2.364 -6.639 374 HB3 CYS 66 HB2 CYS 66 3.618 2.470 -7.182 375 H ARG 67 H ARG 67 4.946 4.751 -6.158 376 HA ARG 67 HA ARG 67 5.949 5.848 -8.697 377 HB2 ARG 67 HB1 ARG 67 7.048 6.205 -5.899 378 HB3 ARG 67 HB2 ARG 67 7.672 6.969 -7.368 379 HG2 ARG 67 HG1 ARG 67 4.809 7.422 -6.773 380 HG3 ARG 67 HG2 ARG 67 5.982 8.181 -5.686 381 HD2 ARG 67 HD1 ARG 67 7.151 8.966 -7.872 382 HD3 ARG 67 HD2 ARG 67 5.595 8.597 -8.625 383 HE ARG 67 HE ARG 67 5.039 10.181 -6.425 384 HH11 ARG 67 HH11 ARG 67 6.826 10.452 -9.402 385 HH12 ARG 67 HH12 ARG 67 6.584 12.162 -9.543 386 HH21 ARG 67 HH21 ARG 67 4.713 12.432 -6.601 387 HH22 ARG 67 HH22 ARG 67 5.383 13.288 -7.949 388 H GLY 68 H GLY 68 8.239 5.391 -9.202 389 HA2 GLY 68 HA2 GLY 68 8.861 2.595 -8.524 390 HA3 GLY 68 HA3 GLY 68 9.389 3.428 -9.978 391 HA1 GLY 68 HA1 GLY 68 8.900 3.235 -7.918 392 H LEU 69 H LEU 69 11.411 2.280 -9.042 393 HA LEU 69 HA LEU 69 12.716 3.475 -6.817 394 HB2 LEU 69 HB1 LEU 69 13.443 1.554 -8.969 395 HB3 LEU 69 HB2 LEU 69 14.763 2.379 -8.122 396 HG LEU 69 HG LEU 69 12.644 0.668 -6.821 397 HD11 LEU 69 HD11 LEU 69 14.072 -1.087 -6.859 398 HD12 LEU 69 HD12 LEU 69 15.508 -0.065 -6.792 399 HD13 LEU 69 HD13 LEU 69 14.646 -0.276 -8.316 400 HD21 LEU 69 HD21 LEU 69 13.217 2.052 -5.104 401 HD22 LEU 69 HD22 LEU 69 14.807 2.414 -5.776 402 HD23 LEU 69 HD23 LEU 69 14.522 0.873 -4.964 403 H ARG 70 H ARG 70 12.511 4.233 -10.195 404 HA ARG 70 HA ARG 70 14.731 6.118 -10.045 405 HB2 ARG 70 HB1 ARG 70 12.901 5.487 -12.374 406 HB3 ARG 70 HB2 ARG 70 14.406 6.416 -12.435 407 HG2 ARG 70 HG1 ARG 70 15.047 3.927 -11.269 408 HG3 ARG 70 HG2 ARG 70 14.025 3.601 -12.680 409 HD2 ARG 70 HD1 ARG 70 16.010 3.709 -13.777 410 HD3 ARG 70 HD2 ARG 70 15.646 5.441 -13.749 411 HE ARG 70 HE ARG 70 17.077 4.675 -11.422 412 HH11 ARG 70 HH11 ARG 70 17.468 5.305 -14.823 413 HH12 ARG 70 HH12 ARG 70 19.131 5.771 -14.678 414 HH21 ARG 70 HH21 ARG 70 19.264 5.286 -11.218 415 HH22 ARG 70 HH22 ARG 70 20.152 5.758 -12.627 416 H ARG 71 H ARG 71 11.856 6.288 -8.820 417 HA ARG 71 HA ARG 71 11.102 8.897 -9.929 418 HB2 ARG 71 HB1 ARG 71 9.655 6.734 -8.485 419 HB3 ARG 71 HB2 ARG 71 9.113 8.396 -8.214 420 HG2 ARG 71 HG1 ARG 71 9.359 7.073 -10.917 421 HG3 ARG 71 HG2 ARG 71 7.857 7.274 -9.999 422 HD2 ARG 71 HD1 ARG 71 7.590 9.321 -10.833 423 HD3 ARG 71 HD2 ARG 71 9.148 9.802 -10.146 424 HE ARG 71 HE ARG 71 10.063 9.672 -12.233 425 HH11 ARG 71 HH11 ARG 71 7.066 7.900 -12.207 426 HH12 ARG 71 HH12 ARG 71 7.074 7.606 -13.915 427 HH21 ARG 71 HH21 ARG 71 10.085 9.292 -14.483 428 HH22 ARG 71 HH22 ARG 71 8.791 8.398 -15.208 429 H ARG 72 H ARG 72 11.123 10.741 -8.733 430 HA ARG 72 HA ARG 72 12.771 10.784 -6.397 431 HB2 ARG 72 HB1 ARG 72 11.093 13.007 -7.586 432 HB3 ARG 72 HB2 ARG 72 12.421 13.193 -6.431 433 HG2 ARG 72 HG1 ARG 72 12.777 12.012 -9.182 434 HG3 ARG 72 HG2 ARG 72 12.987 13.733 -8.809 435 HD2 ARG 72 HD1 ARG 72 14.634 12.966 -6.997 436 HD3 ARG 72 HD2 ARG 72 14.589 11.396 -7.812 437 HE ARG 72 HE ARG 72 15.120 13.283 -9.768 438 HH11 ARG 72 HH11 ARG 72 16.616 12.100 -6.855 439 HH12 ARG 72 HH12 ARG 72 18.230 12.421 -7.398 440 HH21 ARG 72 HH21 ARG 72 17.240 13.711 -10.494 441 HH22 ARG 72 HH22 ARG 72 18.584 13.338 -9.468 442 H CYS 73 H CYS 73 12.222 11.066 -4.285 443 HA CYS 73 HA CYS 73 9.385 11.389 -3.613 444 HB2 CYS 73 HB1 CYS 73 9.455 9.595 -1.990 445 HB3 CYS 73 HB2 CYS 73 9.908 8.967 -3.576 446 H GLN 74 H GLN 74 9.152 11.706 -1.160 447 HA GLN 74 HA GLN 74 11.415 13.300 -0.154 448 HB2 GLN 74 HB1 GLN 74 8.546 14.001 -0.461 449 HB3 GLN 74 HB2 GLN 74 9.344 14.541 1.025 450 HG2 GLN 74 HG1 GLN 74 9.873 16.344 -0.197 451 HG3 GLN 74 HG2 GLN 74 11.173 15.305 -0.795 452 HE21 GLN 74 HE21 GLN 74 9.676 17.547 -2.039 453 HE22 GLN 74 HE22 GLN 74 9.081 16.916 -3.533 454 H ARG 75 H ARG 75 8.600 11.330 0.636 455 HA ARG 75 HA ARG 75 9.699 10.946 3.343 456 HB2 ARG 75 HB1 ARG 75 6.853 10.605 2.363 457 HB3 ARG 75 HB2 ARG 75 7.412 10.297 4.014 458 HG2 ARG 75 HG1 ARG 75 7.368 12.463 4.577 459 HG3 ARG 75 HG2 ARG 75 8.075 12.966 3.032 460 HD2 ARG 75 HD1 ARG 75 5.922 12.780 1.928 461 HD3 ARG 75 HD2 ARG 75 5.199 12.146 3.412 462 HE ARG 75 HE ARG 75 6.390 14.720 3.790 463 HH11 ARG 75 HH11 ARG 75 3.549 13.058 2.656 464 HH12 ARG 75 HH12 ARG 75 2.490 14.398 2.945 465 HH21 ARG 75 HH21 ARG 75 5.006 16.492 4.173 466 HH22 ARG 75 HH22 ARG 75 3.321 16.352 3.807 467 H ASP 76 H ASP 76 9.120 8.754 4.289 468 HA ASP 76 HA ASP 76 10.132 6.731 2.525 469 HB2 ASP 76 HB1 ASP 76 8.975 6.131 5.231 470 HB3 ASP 76 HB2 ASP 76 10.358 5.388 4.416 471 HD2 ASP 76 HD ASP 76 12.532 7.870 5.522 472 H ALA 77 H ALA 77 7.008 7.702 3.694 473 HA ALA 77 HA ALA 77 5.688 5.258 2.913 474 HB1 ALA 77 HB1 ALA 77 3.982 7.591 3.305 475 HB2 ALA 77 HB2 ALA 77 3.959 6.020 4.107 476 HB3 ALA 77 HB3 ALA 77 5.067 7.276 4.659 477 H MET 78 H MET 78 6.474 8.302 1.464 478 HA MET 78 HA MET 78 4.541 8.528 -0.512 479 HB2 MET 78 HB1 MET 78 7.339 9.440 -0.166 480 HB3 MET 78 HB2 MET 78 6.722 9.435 -1.826 481 HG2 MET 78 HG1 MET 78 5.347 10.803 0.486 482 HG3 MET 78 HG2 MET 78 6.453 11.598 -0.637 483 HE1 MET 78 HE1 MET 78 5.952 10.898 -3.446 484 HE2 MET 78 HE2 MET 78 4.559 11.873 -3.914 485 HE3 MET 78 HE3 MET 78 5.807 12.560 -2.874 486 H CYS 79 H CYS 79 7.437 6.525 -0.415 487 HA CYS 79 HA CYS 79 6.952 5.529 -3.106 488 HB2 CYS 79 HB1 CYS 79 9.257 6.012 -1.893 489 HB3 CYS 79 HB2 CYS 79 9.032 4.362 -1.306 490 H CYS 80 H CYS 80 6.602 3.318 -3.587 491 HA CYS 80 HA CYS 80 4.635 2.043 -2.125 492 HB2 CYS 80 HB1 CYS 80 6.397 1.357 -4.367 493 HB3 CYS 80 HB2 CYS 80 5.887 -0.044 -3.423 494 HA PRO 81 HA PRO 81 6.518 -0.086 1.215 495 HB2 PRO 81 HB1 PRO 81 5.170 -2.471 1.235 496 HB3 PRO 81 HB2 PRO 81 4.444 -0.939 1.718 497 HG2 PRO 81 HG1 PRO 81 4.291 -2.368 -0.914 498 HG3 PRO 81 HG2 PRO 81 2.974 -1.587 0.038 499 HD2 PRO 81 HD1 PRO 81 4.123 -0.403 -2.118 500 HD3 PRO 81 HD2 PRO 81 3.541 0.515 -0.719 501 H GLY 82 H GLY 82 8.548 -0.820 1.192 502 HA2 GLY 82 HA2 GLY 82 9.695 -3.089 0.965 503 HA3 GLY 82 HA3 GLY 82 9.250 -2.946 -0.728 504 HA1 GLY 82 HA1 GLY 82 9.774 -2.246 1.209 505 H THR 83 H THR 83 9.763 0.062 -0.402 506 HA THR 83 HA THR 83 12.696 -0.106 -0.657 507 HB THR 83 HB THR 83 12.159 2.148 -2.019 508 HG1 THR 83 HG1 THR 83 10.267 1.689 -3.308 509 HG21 THR 83 HG21 THR 83 12.339 -0.708 -2.861 510 HG22 THR 83 HG22 THR 83 13.472 0.617 -3.128 511 HG23 THR 83 HG23 THR 83 11.989 0.519 -4.077 512 H LEU 84 H LEU 84 13.705 2.181 -0.414 513 HA LEU 84 HA LEU 84 12.435 3.568 1.851 514 HB2 LEU 84 HB1 LEU 84 14.890 2.113 1.817 515 HB3 LEU 84 HB2 LEU 84 15.254 3.836 2.031 516 HG LEU 84 HG LEU 84 15.076 2.648 4.169 517 HD11 LEU 84 HD11 LEU 84 12.687 4.429 4.049 518 HD12 LEU 84 HD12 LEU 84 14.284 5.091 3.704 519 HD13 LEU 84 HD13 LEU 84 13.963 4.334 5.263 520 HD21 LEU 84 HD21 LEU 84 13.363 1.322 4.756 521 HD22 LEU 84 HD22 LEU 84 13.049 1.251 3.022 522 HD23 LEU 84 HD23 LEU 84 12.157 2.388 4.034 523 H CYS 85 H CYS 85 12.552 5.771 1.863 524 HA CYS 85 HA CYS 85 13.244 7.042 -0.627 525 HB2 CYS 85 HB1 CYS 85 11.254 7.578 0.942 526 HB3 CYS 85 HB2 CYS 85 12.435 8.493 1.879 527 H VAL 86 H VAL 86 15.361 7.306 -1.013 528 HA VAL 86 HA VAL 86 16.953 8.684 1.047 529 HB VAL 86 HB VAL 86 17.962 6.546 -0.836 530 HG11 VAL 86 HG11 VAL 86 20.080 6.775 0.335 531 HG12 VAL 86 HG12 VAL 86 19.608 8.312 -0.395 532 HG13 VAL 86 HG13 VAL 86 19.405 8.058 1.338 533 HG21 VAL 86 HG21 VAL 86 16.724 6.366 1.728 534 HG22 VAL 86 HG22 VAL 86 17.370 5.073 0.718 535 HG23 VAL 86 HG23 VAL 86 18.416 5.895 1.876 536 H ASN 87 H ASN 87 18.225 10.349 0.368 537 HA ASN 87 HA ASN 87 18.941 12.059 -0.949 538 HB2 ASN 87 HB1 ASN 87 19.974 9.849 -2.039 539 HB3 ASN 87 HB2 ASN 87 18.947 10.350 -3.388 540 HD21 ASN 87 HD21 ASN 87 21.841 10.257 -3.231 541 HD22 ASN 87 HD22 ASN 87 22.397 11.861 -3.557 542 H ASP 88 H ASP 88 16.093 11.605 -0.686 543 HA ASP 88 HA ASP 88 14.143 12.481 -1.468 544 HB2 ASP 88 HB1 ASP 88 16.030 14.321 -2.137 545 HB3 ASP 88 HB2 ASP 88 15.371 13.929 -3.732 546 HD2 ASP 88 HD ASP 88 12.961 16.268 -2.996 547 H VAL 89 H VAL 89 15.398 10.032 -2.635 548 HA VAL 89 HA VAL 89 13.552 9.768 -4.870 549 HB VAL 89 HB VAL 89 15.677 10.460 -5.919 550 HG11 VAL 89 HG11 VAL 89 17.288 9.652 -4.357 551 HG12 VAL 89 HG12 VAL 89 16.744 7.987 -4.569 552 HG13 VAL 89 HG13 VAL 89 17.569 8.821 -5.887 553 HG21 VAL 89 HG21 VAL 89 14.109 8.967 -7.090 554 HG22 VAL 89 HG22 VAL 89 15.784 8.679 -7.563 555 HG23 VAL 89 HG23 VAL 89 14.979 7.573 -6.449 556 H CYS 90 H CYS 90 12.954 7.626 -5.321 557 HA CYS 90 HA CYS 90 12.897 5.883 -3.122 558 HB2 CYS 90 HB1 CYS 90 12.285 5.490 -6.052 559 HB3 CYS 90 HB2 CYS 90 12.084 4.196 -4.870 560 H THR 91 H THR 91 14.401 4.577 -2.342 561 HA THR 91 HA THR 91 16.312 3.324 -4.182 562 HB THR 91 HB THR 91 17.094 4.721 -1.615 563 HG1 THR 91 HG1 THR 91 16.862 6.179 -3.323 564 HG21 THR 91 HG21 THR 91 18.497 2.782 -3.383 565 HG22 THR 91 HG22 THR 91 18.595 2.992 -1.634 566 HG23 THR 91 HG23 THR 91 19.433 4.114 -2.706 567 H THR 92 H THR 92 16.755 1.238 -3.729 568 HA THR 92 HA THR 92 15.146 -0.188 -1.917 569 HB THR 92 HB THR 92 17.016 -2.013 -2.362 570 HG1 THR 92 HG1 THR 92 17.386 -0.471 -4.687 571 HG21 THR 92 HG21 THR 92 15.883 -2.580 -4.469 572 HG22 THR 92 HG22 THR 92 15.148 -0.977 -4.499 573 HG23 THR 92 HG23 THR 92 14.733 -2.114 -3.217 574 H MET 93 H MET 93 15.518 -1.030 0.093 575 HA MET 93 HA MET 93 17.173 0.318 1.867 576 HB2 MET 93 HB1 MET 93 15.796 -2.354 1.977 577 HB3 MET 93 HB2 MET 93 16.819 -1.805 3.314 578 HG2 MET 93 HG1 MET 93 15.405 -0.044 3.865 579 HG3 MET 93 HG2 MET 93 14.632 -0.057 2.278 580 HE1 MET 93 HE1 MET 93 15.248 -1.679 5.527 581 HE2 MET 93 HE2 MET 93 13.655 -1.082 5.993 582 HE3 MET 93 HE3 MET 93 13.930 -2.816 5.811 583 H GLU 94 H GLU 94 17.827 -2.448 -0.155 584 HA GLU 94 HA GLU 94 20.141 -3.390 1.141 585 HB2 GLU 94 HB1 GLU 94 18.999 -3.641 -1.611 586 HB3 GLU 94 HB2 GLU 94 20.667 -4.165 -1.328 587 HG2 GLU 94 HG1 GLU 94 18.450 -5.136 0.441 588 HG3 GLU 94 HG2 GLU 94 18.752 -5.884 -1.135 589 HE2 GLU 94 HE GLU 94 21.081 -7.854 0.415 590 H ASP 95 H ASP 95 19.636 -0.890 -1.282 591 HA ASP 95 HA ASP 95 22.456 -0.422 -1.653 592 HB2 ASP 95 HB1 ASP 95 19.952 0.950 -2.630 593 HB3 ASP 95 HB2 ASP 95 21.560 1.632 -2.917 594 HD2 ASP 95 HD ASP 95 22.222 -1.486 -4.778 595 H ALA 96 H ALA 96 19.922 0.782 0.380 596 HA ALA 96 HA ALA 96 21.294 3.193 1.138 597 HB1 ALA 96 HB1 ALA 96 18.852 3.068 1.172 598 HB2 ALA 96 HB2 ALA 96 18.932 1.830 2.427 599 HB3 ALA 96 HB3 ALA 96 19.500 3.466 2.763 600 H THR 97 H THR 97 23.297 1.792 1.575 601 HA THR 97 HA THR 97 24.793 0.874 3.033 602 HB THR 97 HB THR 97 23.141 2.328 5.107 603 HG1 THR 97 HG1 THR 97 24.132 3.483 3.147 604 HG21 THR 97 HG21 THR 97 25.991 2.258 5.545 605 HG22 THR 97 HG22 THR 97 25.342 0.624 5.403 606 HG23 THR 97 HG23 THR 97 24.683 1.734 6.606 607 H GLU 98 H GLU 98 24.132 -1.293 2.702 608 HA GLU 98 HA GLU 98 23.294 -2.614 5.097 609 HB2 GLU 98 HB1 GLU 98 21.152 -1.805 3.856 610 HB3 GLU 98 HB2 GLU 98 21.506 -3.138 2.746 611 HG2 GLU 98 HG1 GLU 98 20.897 -4.728 4.218 612 HG3 GLU 98 HG2 GLU 98 21.543 -3.833 5.602 613 HE2 GLU 98 HE GLU 98 17.921 -2.647 4.481 614 H ASN 99 H ASN 99 24.934 -4.026 5.095 615 HA ASN 99 HA ASN 99 25.041 -6.006 2.977 616 HB2 ASN 99 HB1 ASN 99 27.604 -5.742 2.910 617 HB3 ASN 99 HB2 ASN 99 26.630 -4.565 2.021 618 HD21 ASN 99 HD21 ASN 99 27.141 -2.525 2.296 619 HD22 ASN 99 HD22 ASN 99 27.961 -1.854 3.661 620 H LEU 100 H LEU 100 24.086 -6.749 5.229 621 HA LEU 100 HA LEU 100 25.948 -7.393 7.281 622 HB2 LEU 100 HB1 LEU 100 23.151 -8.294 6.637 623 HB3 LEU 100 HB2 LEU 100 24.070 -8.993 7.981 624 HG LEU 100 HG LEU 100 24.204 -6.194 8.293 625 HD11 LEU 100 HD11 LEU 100 22.128 -6.464 6.695 626 HD12 LEU 100 HD12 LEU 100 22.096 -5.347 8.059 627 HD13 LEU 100 HD13 LEU 100 21.323 -6.926 8.195 628 HD21 LEU 100 HD21 LEU 100 22.976 -6.665 10.346 629 HD22 LEU 100 HD22 LEU 100 24.235 -7.870 10.071 630 HD23 LEU 100 HD23 LEU 100 22.548 -8.263 9.734 631 H TYR 101 H TYR 101 26.725 -9.469 7.884 632 HA TYR 101 HA TYR 101 26.488 -11.675 6.037 633 HB2 TYR 101 HB1 TYR 101 28.421 -9.917 5.380 634 HB3 TYR 101 HB2 TYR 101 29.316 -10.917 6.529 635 HD1 TYR 101 HD1 TYR 101 30.216 -12.979 5.886 636 HD2 TYR 101 HD2 TYR 101 27.268 -11.138 3.432 637 HE1 TYR 101 HE1 TYR 101 30.611 -14.675 4.149 638 HE2 TYR 101 HE2 TYR 101 27.654 -12.829 1.689 639 HH TYR 101 HH TYR 101 29.408 -14.374 0.981 640 H PHE 102 H PHE 102 26.716 -13.577 7.059 641 HA PHE 102 HA PHE 102 28.301 -13.813 9.467 642 HB2 PHE 102 HB1 PHE 102 25.291 -13.952 9.482 643 HB3 PHE 102 HB2 PHE 102 26.250 -14.838 10.671 644 HD1 PHE 102 HD1 PHE 102 24.837 -11.676 9.806 645 HD2 PHE 102 HD2 PHE 102 27.870 -13.546 12.134 646 HE1 PHE 102 HE1 PHE 102 25.001 -9.659 11.206 647 HE2 PHE 102 HE2 PHE 102 28.039 -11.533 13.539 648 HZ PHE 102 HZ PHE 102 26.603 -9.586 13.076 649 H GLN 103 H GLN 103 29.031 -15.855 9.783 650 HA GLN 103 HA GLN 103 27.734 -18.088 8.442 651 HB2 GLN 103 HB1 GLN 103 29.850 -16.775 7.207 652 HB3 GLN 103 HB2 GLN 103 30.607 -18.176 7.984 653 HG2 GLN 103 HG1 GLN 103 28.424 -19.330 6.843 654 HG3 GLN 103 HG2 GLN 103 28.799 -18.046 5.685 655 HE21 GLN 103 HE21 GLN 103 31.193 -17.893 5.137 656 HE22 GLN 103 HE22 GLN 103 32.000 -19.389 4.831 657 H SER 104 H SER 104 27.915 -19.952 9.554 658 HA SER 104 HA SER 104 29.919 -20.098 11.701 659 HB2 SER 104 HB1 SER 104 28.096 -21.328 13.042 660 HB3 SER 104 HB2 SER 104 27.960 -19.566 12.903 661 HG SER 104 HG SER 104 26.506 -19.959 11.115 662 H LEU 105 H LEU 105 30.404 -22.280 12.418 663 HA LEU 105 HA LEU 105 29.465 -24.537 10.936 664 HB2 LEU 105 HB1 LEU 105 31.524 -25.131 9.824 665 HB3 LEU 105 HB2 LEU 105 30.978 -23.532 9.287 666 HG LEU 105 HG LEU 105 32.900 -23.461 11.500 667 HD11 LEU 105 HD11 LEU 105 33.597 -25.442 10.025 668 HD12 LEU 105 HD12 LEU 105 34.797 -24.198 10.369 669 HD13 LEU 105 HD13 LEU 105 33.977 -24.222 8.809 670 HD21 LEU 105 HD21 LEU 105 33.217 -21.431 10.653 671 HD22 LEU 105 HD22 LEU 105 31.942 -21.778 9.486 672 HD23 LEU 105 HD23 LEU 105 33.628 -22.094 9.072 673 H GLU 106 H GLU 106 30.851 -26.527 11.485 674 HA GLU 106 HA GLU 106 32.518 -26.462 13.779 675 HB2 GLU 106 HB1 GLU 106 29.974 -26.097 14.528 676 HB3 GLU 106 HB2 GLU 106 29.985 -27.866 14.442 677 HG2 GLU 106 HG1 GLU 106 31.445 -28.099 16.189 678 HG3 GLU 106 HG2 GLU 106 32.180 -26.512 15.916 679 HE2 GLU 106 HE GLU 106 30.310 -25.487 18.614 680 H HIS 107 H HIS 107 32.987 -28.697 14.591 681 HA HIS 107 HA HIS 107 32.157 -31.009 13.248 682 HB2 HIS 107 HB1 HIS 107 33.791 -29.464 11.628 683 HB3 HIS 107 HB2 HIS 107 34.901 -30.654 12.314 684 HD1 HIS 107 HD1 HIS 107 35.236 -32.237 10.415 685 HD2 HIS 107 HD2 HIS 107 31.220 -31.428 11.107 686 HE1 HIS 107 HE1 HIS 107 33.966 -33.797 8.906 687 HE2 HIS 107 HE2 HIS 107 31.510 -33.305 9.329 688 H HIS 108 H HIS 108 32.987 -32.842 14.188 689 HA HIS 108 HA HIS 108 35.324 -32.632 15.911 690 HB2 HIS 108 HB1 HIS 108 32.586 -33.432 16.927 691 HB3 HIS 108 HB2 HIS 108 34.090 -33.650 17.829 692 HD1 HIS 108 HD1 HIS 108 31.626 -31.047 16.836 693 HD2 HIS 108 HD2 HIS 108 35.243 -31.291 18.865 694 HE1 HIS 108 HE1 HIS 108 31.895 -28.833 17.999 695 HE2 HIS 108 HE2 HIS 108 34.107 -28.981 19.239 696 H HIS 109 H HIS 109 36.064 -34.738 16.693 697 HA HIS 109 HA HIS 109 34.923 -37.105 15.489 698 HB2 HIS 109 HB1 HIS 109 36.871 -37.746 14.217 699 HB3 HIS 109 HB2 HIS 109 36.329 -36.156 13.673 700 HD1 HIS 109 HD1 HIS 109 37.755 -34.069 14.564 701 HD2 HIS 109 HD2 HIS 109 39.481 -37.813 15.074 702 HE1 HIS 109 HE1 HIS 109 40.190 -33.631 15.016 703 HE2 HIS 109 HE2 HIS 109 41.246 -35.918 15.328 704 H HIS 110 H HIS 110 36.447 -39.049 15.982 705 HA HIS 110 HA HIS 110 38.083 -38.738 18.341 706 HB2 HIS 110 HB1 HIS 110 35.339 -39.244 18.672 707 HB3 HIS 110 HB2 HIS 110 36.139 -40.797 18.933 708 HD1 HIS 110 HD1 HIS 110 37.397 -41.133 21.092 709 HD2 HIS 110 HD2 HIS 110 36.183 -37.200 20.525 710 HE1 HIS 110 HE1 HIS 110 37.856 -39.968 23.272 711 HE2 HIS 110 HE2 HIS 110 37.116 -37.563 22.926 712 H HIS 111 H HIS 111 39.390 -40.534 18.764 713 HA HIS 111 HA HIS 111 39.071 -42.968 17.251 714 HB2 HIS 111 HB1 HIS 111 40.466 -40.923 16.015 715 HB3 HIS 111 HB2 HIS 111 41.745 -41.894 16.751 716 HD1 HIS 111 HD1 HIS 111 38.588 -42.786 14.803 717 HD2 HIS 111 HD2 HIS 111 42.638 -43.698 14.965 718 HE1 HIS 111 HE1 HIS 111 38.963 -44.502 13.003 719 HE2 HIS 111 HE2 HIS 111 41.439 -45.061 13.100 720 H HIS 112 H HIS 112 40.971 -44.476 17.683 721 HA HIS 112 HA HIS 112 41.571 -44.334 20.527 722 HB2 HIS 112 HB1 HIS 112 41.725 -46.496 18.441 723 HB3 HIS 112 HB2 HIS 112 42.544 -46.687 19.995 724 HD1 HIS 112 HD1 HIS 112 41.099 -48.450 21.046 725 HD2 HIS 112 HD2 HIS 112 38.905 -45.219 19.630 726 HE1 HIS 112 HE1 HIS 112 38.755 -48.808 21.887 727 HE2 HIS 112 HE2 HIS 112 37.414 -46.833 21.020 Start of MODEL 39 1 H1 MET 18 H MET 18 -7.701 -35.283 -2.541 2 HA MET 18 HA MET 18 -8.809 -34.023 -0.357 3 HB2 MET 18 HB1 MET 18 -7.535 -32.150 -2.304 4 HB3 MET 18 HB2 MET 18 -9.077 -31.682 -1.572 5 HG2 MET 18 HG1 MET 18 -7.199 -32.670 0.411 6 HG3 MET 18 HG2 MET 18 -6.560 -31.300 -0.501 7 HE1 MET 18 HE1 MET 18 -7.974 -28.362 0.509 8 HE2 MET 18 HE2 MET 18 -7.549 -29.300 -0.923 9 HE3 MET 18 HE3 MET 18 -9.237 -28.906 -0.595 10 H LEU 19 H LEU 19 -10.620 -35.178 -0.799 11 HA LEU 19 HA LEU 19 -12.254 -34.243 -3.026 12 HB2 LEU 19 HB1 LEU 19 -12.896 -36.682 -3.470 13 HB3 LEU 19 HB2 LEU 19 -11.347 -36.095 -4.098 14 HG LEU 19 HG LEU 19 -11.209 -37.376 -1.452 15 HD11 LEU 19 HD11 LEU 19 -11.406 -39.274 -3.716 16 HD12 LEU 19 HD12 LEU 19 -12.914 -38.643 -3.054 17 HD13 LEU 19 HD13 LEU 19 -11.782 -39.499 -2.008 18 HD21 LEU 19 HD21 LEU 19 -9.085 -37.530 -2.072 19 HD22 LEU 19 HD22 LEU 19 -9.497 -36.710 -3.578 20 HD23 LEU 19 HD23 LEU 19 -9.529 -38.472 -3.496 21 H VAL 20 H VAL 20 -13.201 -33.252 -1.045 22 HA VAL 20 HA VAL 20 -14.900 -35.139 0.443 23 HB VAL 20 HB VAL 20 -14.274 -32.272 1.157 24 HG11 VAL 20 HG11 VAL 20 -15.111 -34.135 3.248 25 HG12 VAL 20 HG12 VAL 20 -15.654 -32.491 2.908 26 HG13 VAL 20 HG13 VAL 20 -16.338 -33.850 2.014 27 HG21 VAL 20 HG21 VAL 20 -13.116 -34.029 3.016 28 HG22 VAL 20 HG22 VAL 20 -12.668 -34.635 1.422 29 HG23 VAL 20 HG23 VAL 20 -12.289 -32.973 1.871 30 H LEU 21 H LEU 21 -16.996 -35.200 -0.009 31 HA LEU 21 HA LEU 21 -18.143 -33.167 -1.751 32 HB2 LEU 21 HB1 LEU 21 -19.018 -35.892 -0.831 33 HB3 LEU 21 HB2 LEU 21 -20.147 -34.780 -1.622 34 HG LEU 21 HG LEU 21 -18.359 -34.716 -3.512 35 HD11 LEU 21 HD11 LEU 21 -17.099 -36.464 -1.726 36 HD12 LEU 21 HD12 LEU 21 -16.624 -36.089 -3.382 37 HD13 LEU 21 HD13 LEU 21 -17.677 -37.467 -3.058 38 HD21 LEU 21 HD21 LEU 21 -20.069 -37.153 -3.022 39 HD22 LEU 21 HD22 LEU 21 -19.420 -36.641 -4.581 40 HD23 LEU 21 HD23 LEU 21 -20.606 -35.637 -3.745 41 H ASP 22 H ASP 22 -20.074 -32.051 -1.274 42 HA ASP 22 HA ASP 22 -21.154 -32.188 1.414 43 HB2 ASP 22 HB1 ASP 22 -20.838 -29.757 1.821 44 HB3 ASP 22 HB2 ASP 22 -19.314 -30.653 1.762 45 HD2 ASP 22 HD ASP 22 -18.351 -29.084 -1.208 46 H PHE 23 H PHE 23 -22.922 -30.417 1.642 47 HA PHE 23 HA PHE 23 -24.147 -29.348 -0.656 48 HB2 PHE 23 HB1 PHE 23 -26.185 -30.875 -0.631 49 HB3 PHE 23 HB2 PHE 23 -24.717 -31.537 -1.353 50 HD1 PHE 23 HD1 PHE 23 -23.553 -33.382 -0.381 51 HD2 PHE 23 HD2 PHE 23 -26.929 -31.679 1.573 52 HE1 PHE 23 HE1 PHE 23 -23.656 -35.324 1.127 53 HE2 PHE 23 HE2 PHE 23 -27.037 -33.617 3.084 54 HZ PHE 23 HZ PHE 23 -25.398 -35.442 2.863 55 H ASN 24 H ASN 24 -25.791 -27.965 -0.125 56 HA ASN 24 HA ASN 24 -27.333 -28.147 2.243 57 HB2 ASN 24 HB1 ASN 24 -24.783 -27.219 2.735 58 HB3 ASN 24 HB2 ASN 24 -25.707 -25.725 2.539 59 HD21 ASN 24 HD21 ASN 24 -26.947 -25.028 4.155 60 HD22 ASN 24 HD22 ASN 24 -27.262 -25.902 5.613 61 H ASN 25 H ASN 25 -28.090 -25.615 2.716 62 HA ASN 25 HA ASN 25 -28.420 -24.048 0.355 63 HB2 ASN 25 HB1 ASN 25 -30.959 -24.311 0.327 64 HB3 ASN 25 HB2 ASN 25 -30.019 -25.646 -0.349 65 HD21 ASN 25 HD21 ASN 25 -30.209 -27.632 0.494 66 HD22 ASN 25 HD22 ASN 25 -31.182 -28.026 1.866 67 H ILE 26 H ILE 26 -29.493 -22.062 0.751 68 HA ILE 26 HA ILE 26 -30.778 -21.422 3.181 69 HB ILE 26 HB ILE 26 -28.471 -21.697 4.064 70 HG12 ILE 26 HG11 ILE 26 -28.985 -18.773 4.257 71 HG13 ILE 26 HG12 ILE 26 -30.305 -19.855 4.732 72 HG21 ILE 26 HG21 ILE 26 -27.849 -19.346 2.281 73 HG22 ILE 26 HG22 ILE 26 -26.767 -20.038 3.488 74 HG23 ILE 26 HG23 ILE 26 -27.242 -20.989 2.081 75 HD11 ILE 26 HD11 ILE 26 -29.039 -20.831 6.454 76 HD12 ILE 26 HD12 ILE 26 -27.536 -20.128 5.851 77 HD13 ILE 26 HD13 ILE 26 -28.765 -19.093 6.578 78 H ARG 27 H ARG 27 -31.672 -19.377 3.146 79 HA ARG 27 HA ARG 27 -30.907 -17.595 0.948 80 HB2 ARG 27 HB1 ARG 27 -33.617 -18.781 1.472 81 HB3 ARG 27 HB2 ARG 27 -33.471 -17.193 0.704 82 HG2 ARG 27 HG1 ARG 27 -33.528 -18.456 -1.173 83 HG3 ARG 27 HG2 ARG 27 -31.786 -18.532 -0.855 84 HD2 ARG 27 HD1 ARG 27 -32.124 -20.762 -1.060 85 HD3 ARG 27 HD2 ARG 27 -32.599 -20.609 0.637 86 HE ARG 27 HE ARG 27 -34.793 -20.207 -1.154 87 HH11 ARG 27 HH11 ARG 27 -32.857 -22.614 0.452 88 HH12 ARG 27 HH12 ARG 27 -34.099 -23.823 0.417 89 HH21 ARG 27 HH21 ARG 27 -36.434 -21.790 -1.206 90 HH22 ARG 27 HH22 ARG 27 -36.132 -23.353 -0.527 91 H SER 28 H SER 28 -29.937 -16.324 2.607 92 HA SER 28 HA SER 28 -31.682 -15.184 4.637 93 HB2 SER 28 HB1 SER 28 -28.717 -14.957 4.081 94 HB3 SER 28 HB2 SER 28 -29.534 -13.981 5.314 95 HG SER 28 HG SER 28 -28.666 -15.897 6.204 96 H SER 29 H SER 29 -30.968 -12.676 4.992 97 HA SER 29 HA SER 29 -31.030 -11.253 2.448 98 HB2 SER 29 HB1 SER 29 -33.252 -11.240 4.484 99 HB3 SER 29 HB2 SER 29 -32.966 -9.833 3.445 100 HG SER 29 HG SER 29 -34.313 -11.000 2.241 101 H ALA 30 H ALA 30 -28.976 -10.492 3.044 102 HA ALA 30 HA ALA 30 -28.611 -9.048 5.514 103 HB1 ALA 30 HB1 ALA 30 -26.889 -9.827 3.226 104 HB2 ALA 30 HB2 ALA 30 -26.389 -8.445 4.203 105 HB3 ALA 30 HB3 ALA 30 -26.628 -10.020 4.959 106 H ASP 31 H ASP 31 -28.187 -8.083 2.102 107 HA ASP 31 HA ASP 31 -28.505 -6.103 1.030 108 HB2 ASP 31 HB1 ASP 31 -30.750 -6.426 2.829 109 HB3 ASP 31 HB2 ASP 31 -30.362 -4.714 2.614 110 HD2 ASP 31 HD ASP 31 -32.016 -4.756 -0.368 111 H LEU 32 H LEU 32 -28.773 -3.561 1.611 112 HA LEU 32 HA LEU 32 -27.403 -2.702 3.961 113 HB2 LEU 32 HB1 LEU 32 -25.664 -3.691 2.217 114 HB3 LEU 32 HB2 LEU 32 -25.854 -2.081 1.501 115 HG LEU 32 HG LEU 32 -25.168 -1.088 3.674 116 HD11 LEU 32 HD11 LEU 32 -25.431 -3.828 4.521 117 HD12 LEU 32 HD12 LEU 32 -25.236 -2.366 5.486 118 HD13 LEU 32 HD13 LEU 32 -23.816 -3.211 4.872 119 HD21 LEU 32 HD21 LEU 32 -22.971 -1.181 3.120 120 HD22 LEU 32 HD22 LEU 32 -23.628 -1.941 1.670 121 HD23 LEU 32 HD23 LEU 32 -22.967 -2.938 2.966 122 H HIS 33 H HIS 33 -27.765 -0.577 4.346 123 HA HIS 33 HA HIS 33 -28.943 1.005 2.155 124 HB2 HIS 33 HB1 HIS 33 -29.672 1.199 5.087 125 HB3 HIS 33 HB2 HIS 33 -30.440 2.051 3.744 126 HD1 HIS 33 HD1 HIS 33 -30.136 -1.424 5.183 127 HD2 HIS 33 HD2 HIS 33 -32.445 0.686 2.449 128 HE1 HIS 33 HE1 HIS 33 -32.030 -2.961 4.577 129 HE2 HIS 33 HE2 HIS 33 -33.442 -1.672 2.904 130 H GLY 34 H GLY 34 -26.696 1.703 1.820 131 HA2 GLY 34 HA2 GLY 34 -26.196 4.255 2.765 132 HA3 GLY 34 HA3 GLY 34 -25.304 3.171 3.823 133 HA1 GLY 34 HA1 GLY 34 -26.282 3.769 2.032 134 H ALA 35 H ALA 35 -24.877 5.134 1.325 135 HA ALA 35 HA ALA 35 -22.428 3.869 0.527 136 HB1 ALA 35 HB1 ALA 35 -22.896 3.154 -1.563 137 HB2 ALA 35 HB2 ALA 35 -24.523 2.987 -0.904 138 HB3 ALA 35 HB3 ALA 35 -24.096 4.416 -1.844 139 H ARG 36 H ARG 36 -21.691 5.233 -1.638 140 HA ARG 36 HA ARG 36 -22.449 7.970 -1.663 141 HB2 ARG 36 HB1 ARG 36 -20.249 8.861 -0.826 142 HB3 ARG 36 HB2 ARG 36 -21.300 8.164 0.414 143 HG2 ARG 36 HG1 ARG 36 -19.993 6.058 0.298 144 HG3 ARG 36 HG2 ARG 36 -18.892 6.861 -0.835 145 HD2 ARG 36 HD1 ARG 36 -17.852 7.056 1.275 146 HD3 ARG 36 HD2 ARG 36 -18.574 8.638 0.950 147 HE ARG 36 HE ARG 36 -20.313 6.923 2.441 148 HH11 ARG 36 HH11 ARG 36 -17.621 9.117 2.674 149 HH12 ARG 36 HH12 ARG 36 -17.935 9.532 4.326 150 HH21 ARG 36 HH21 ARG 36 -20.737 7.462 4.617 151 HH22 ARG 36 HH22 ARG 36 -19.707 8.590 5.430 152 H LYS 37 H LYS 37 -21.339 9.182 -3.265 153 HA LYS 37 HA LYS 37 -19.371 7.747 -4.883 154 HB2 LYS 37 HB1 LYS 37 -20.627 8.423 -6.964 155 HB3 LYS 37 HB2 LYS 37 -21.386 7.147 -5.999 156 HG2 LYS 37 HG1 LYS 37 -22.814 8.945 -4.944 157 HG3 LYS 37 HG2 LYS 37 -22.187 10.036 -6.191 158 HD2 LYS 37 HD1 LYS 37 -23.098 7.547 -7.358 159 HD3 LYS 37 HD2 LYS 37 -24.377 8.317 -6.402 160 HE2 LYS 37 HE1 LYS 37 -23.780 10.480 -7.639 161 HE3 LYS 37 HE2 LYS 37 -22.862 9.445 -8.741 162 HZ1 LYS 37 HZ1 LYS 37 -25.768 9.576 -8.321 163 HZ2 LYS 37 HZ2 LYS 37 -25.077 8.135 -8.870 164 HZ3 LYS 37 HZ3 LYS 37 -24.894 9.555 -9.770 165 H GLY 38 H GLY 38 -18.522 9.685 -3.346 166 HA2 GLY 38 HA2 GLY 38 -18.186 11.964 -5.188 167 HA3 GLY 38 HA3 GLY 38 -18.505 12.233 -3.481 168 HA1 GLY 38 HA1 GLY 38 -17.768 11.187 -5.179 169 H SER 39 H SER 39 -16.188 12.947 -5.218 170 HA SER 39 HA SER 39 -13.927 13.110 -5.036 171 HB2 SER 39 HB1 SER 39 -13.937 11.762 -2.362 172 HB3 SER 39 HB2 SER 39 -13.035 13.187 -2.906 173 HG SER 39 HG SER 39 -15.267 14.169 -3.022 174 H GLN 40 H GLN 40 -11.907 11.646 -4.230 175 HA GLN 40 HA GLN 40 -12.397 8.988 -5.400 176 HB2 GLN 40 HB1 GLN 40 -10.124 10.917 -5.616 177 HB3 GLN 40 HB2 GLN 40 -9.783 9.184 -5.736 178 HG2 GLN 40 HG1 GLN 40 -12.036 9.922 -7.394 179 HG3 GLN 40 HG2 GLN 40 -10.598 10.878 -7.779 180 HE21 GLN 40 HE21 GLN 40 -11.939 7.666 -7.622 181 HE22 GLN 40 HE22 GLN 40 -10.745 6.904 -8.610 182 H CYS 41 H CYS 41 -10.110 10.605 -3.186 183 HA CYS 41 HA CYS 41 -10.503 8.512 -1.220 184 HB2 CYS 41 HB1 CYS 41 -8.168 7.892 -1.053 185 HB3 CYS 41 HB2 CYS 41 -8.739 7.598 -2.695 186 H LEU 42 H LEU 42 -10.070 9.173 0.846 187 HA LEU 42 HA LEU 42 -9.393 12.006 1.153 188 HB2 LEU 42 HB1 LEU 42 -11.159 10.132 2.510 189 HB3 LEU 42 HB2 LEU 42 -10.129 11.031 3.638 190 HG LEU 42 HG LEU 42 -11.677 12.512 1.553 191 HD11 LEU 42 HD11 LEU 42 -12.912 12.056 4.216 192 HD12 LEU 42 HD12 LEU 42 -13.072 10.796 2.994 193 HD13 LEU 42 HD13 LEU 42 -13.666 12.422 2.664 194 HD21 LEU 42 HD21 LEU 42 -10.765 13.149 4.357 195 HD22 LEU 42 HD22 LEU 42 -11.669 14.239 3.304 196 HD23 LEU 42 HD23 LEU 42 -10.040 13.731 2.858 197 H SER 43 H SER 43 -8.248 8.817 1.875 198 HA SER 43 HA SER 43 -5.759 9.935 2.874 199 HB2 SER 43 HB1 SER 43 -7.722 8.512 4.569 200 HB3 SER 43 HB2 SER 43 -6.051 7.933 4.700 201 HG SER 43 HG SER 43 -5.485 10.217 5.003 202 H ASP 44 H ASP 44 -4.155 8.082 3.305 203 HA ASP 44 HA ASP 44 -3.847 6.605 0.941 204 HB2 ASP 44 HB1 ASP 44 -2.495 6.666 3.601 205 HB3 ASP 44 HB2 ASP 44 -2.180 5.283 2.544 206 HD2 ASP 44 HD ASP 44 -1.196 8.653 0.745 207 H THR 45 H THR 45 -5.413 5.851 3.955 208 HA THR 45 HA THR 45 -5.512 3.034 3.648 209 HB THR 45 HB THR 45 -7.173 3.034 5.397 210 HG1 THR 45 HG1 THR 45 -8.193 4.929 6.048 211 HG21 THR 45 HG21 THR 45 -4.663 3.930 5.724 212 HG22 THR 45 HG22 THR 45 -5.802 3.754 7.059 213 HG23 THR 45 HG23 THR 45 -5.552 5.333 6.316 214 H ASP 46 H ASP 46 -7.372 5.642 2.330 215 HA ASP 46 HA ASP 46 -9.699 4.164 1.648 216 HB2 ASP 46 HB1 ASP 46 -8.937 6.829 1.557 217 HB3 ASP 46 HB2 ASP 46 -9.083 6.382 -0.148 218 HD2 ASP 46 HD ASP 46 -12.369 6.497 2.051 219 H CYS 47 H CYS 47 -6.582 4.584 0.164 220 HA CYS 47 HA CYS 47 -7.454 3.399 -2.347 221 HB2 CYS 47 HB1 CYS 47 -4.888 4.612 -1.356 222 HB3 CYS 47 HB2 CYS 47 -4.895 3.618 -2.812 223 H ASN 48 H ASN 48 -5.669 1.751 -3.223 224 HA ASN 48 HA ASN 48 -6.042 -0.628 -1.775 225 HB2 ASN 48 HB1 ASN 48 -5.043 0.118 -4.314 226 HB3 ASN 48 HB2 ASN 48 -3.775 -0.836 -3.536 227 HD21 ASN 48 HD21 ASN 48 -6.273 -1.094 -5.549 228 HD22 ASN 48 HD22 ASN 48 -6.772 -2.717 -5.231 229 H THR 49 H THR 49 -4.274 -2.075 -1.020 230 HA THR 49 HA THR 49 -2.779 -0.826 1.020 231 HB THR 49 HB THR 49 -2.431 -3.608 -0.116 232 HG1 THR 49 HG1 THR 49 -3.778 -4.141 1.732 233 HG21 THR 49 HG21 THR 49 -0.682 -3.728 1.268 234 HG22 THR 49 HG22 THR 49 -1.826 -3.592 2.603 235 HG23 THR 49 HG23 THR 49 -1.042 -2.148 1.962 236 H ARG 50 H ARG 50 -2.009 -1.748 -2.259 237 HA ARG 50 HA ARG 50 0.808 -1.043 -1.837 238 HB2 ARG 50 HB1 ARG 50 -0.508 -2.312 -4.251 239 HB3 ARG 50 HB2 ARG 50 1.230 -2.089 -3.996 240 HG2 ARG 50 HG1 ARG 50 -0.404 -3.692 -2.058 241 HG3 ARG 50 HG2 ARG 50 0.199 -4.406 -3.563 242 HD2 ARG 50 HD1 ARG 50 2.486 -3.350 -2.775 243 HD3 ARG 50 HD2 ARG 50 1.709 -3.431 -1.187 244 HE ARG 50 HE ARG 50 2.019 -5.691 -1.199 245 HH11 ARG 50 HH11 ARG 50 2.267 -4.509 -4.465 246 HH12 ARG 50 HH12 ARG 50 2.756 -6.037 -5.119 247 HH21 ARG 50 HH21 ARG 50 2.662 -7.708 -2.049 248 HH22 ARG 50 HH22 ARG 50 2.980 -7.857 -3.744 249 H LYS 51 H LYS 51 -1.425 0.894 -1.978 250 HA LYS 51 HA LYS 51 -0.263 2.607 -4.037 251 HB2 LYS 51 HB1 LYS 51 -3.066 1.611 -3.976 252 HB3 LYS 51 HB2 LYS 51 -2.824 3.315 -4.394 253 HG2 LYS 51 HG1 LYS 51 -2.579 2.585 -6.489 254 HG3 LYS 51 HG2 LYS 51 -0.962 2.082 -5.965 255 HD2 LYS 51 HD1 LYS 51 -1.553 -0.141 -5.770 256 HD3 LYS 51 HD2 LYS 51 -3.266 0.237 -5.517 257 HE2 LYS 51 HE1 LYS 51 -2.853 1.221 -8.040 258 HE3 LYS 51 HE2 LYS 51 -1.778 -0.186 -8.007 259 HZ1 LYS 51 HZ1 LYS 51 -4.699 -0.080 -7.810 260 HZ2 LYS 51 HZ2 LYS 51 -3.891 -1.323 -6.995 261 HZ3 LYS 51 HZ3 LYS 51 -3.714 -1.155 -8.670 262 H PHE 52 H PHE 52 -0.671 4.865 -3.707 263 HA PHE 52 HA PHE 52 -1.426 5.488 -0.929 264 HB2 PHE 52 HB1 PHE 52 0.045 7.517 -1.215 265 HB3 PHE 52 HB2 PHE 52 0.892 5.970 -1.216 266 HD1 PHE 52 HD1 PHE 52 2.004 5.136 -3.166 267 HD2 PHE 52 HD2 PHE 52 -0.190 8.781 -3.305 268 HE1 PHE 52 HE1 PHE 52 3.043 5.675 -5.331 269 HE2 PHE 52 HE2 PHE 52 0.845 9.325 -5.470 270 HZ PHE 52 HZ PHE 52 2.462 7.771 -6.486 271 H CYS 53 H CYS 53 -2.486 7.517 -0.540 272 HA CYS 53 HA CYS 53 -4.284 8.231 -2.729 273 HB2 CYS 53 HB1 CYS 53 -5.371 7.666 -0.657 274 HB3 CYS 53 HB2 CYS 53 -4.368 8.810 0.236 275 H LEU 54 H LEU 54 -3.066 9.589 -4.010 276 HA LEU 54 HA LEU 54 -1.536 11.755 -2.954 277 HB2 LEU 54 HB1 LEU 54 -1.557 10.436 -5.316 278 HB3 LEU 54 HB2 LEU 54 -2.459 11.899 -5.751 279 HG LEU 54 HG LEU 54 -0.080 12.094 -6.291 280 HD11 LEU 54 HD11 LEU 54 0.343 14.229 -5.117 281 HD12 LEU 54 HD12 LEU 54 -1.028 13.888 -4.064 282 HD13 LEU 54 HD13 LEU 54 -1.283 14.118 -5.794 283 HD21 LEU 54 HD21 LEU 54 1.532 11.418 -4.922 284 HD22 LEU 54 HD22 LEU 54 0.284 10.814 -3.832 285 HD23 LEU 54 HD23 LEU 54 0.929 12.443 -3.619 286 H GLN 55 H GLN 55 -2.280 13.626 -2.223 287 HA GLN 55 HA GLN 55 -4.751 14.720 -3.378 288 HB2 GLN 55 HB1 GLN 55 -4.959 15.658 -0.870 289 HB3 GLN 55 HB2 GLN 55 -5.704 14.141 -1.400 290 HG2 GLN 55 HG1 GLN 55 -4.546 13.923 0.757 291 HG3 GLN 55 HG2 GLN 55 -3.881 12.863 -0.495 292 HE21 GLN 55 HE21 GLN 55 -3.373 15.880 1.232 293 HE22 GLN 55 HE22 GLN 55 -1.660 15.929 1.022 294 HA PRO 56 HA PRO 56 -1.458 17.892 -3.672 295 HB2 PRO 56 HB1 PRO 56 -2.408 18.966 -6.005 296 HB3 PRO 56 HB2 PRO 56 -1.362 17.550 -5.942 297 HG2 PRO 56 HG1 PRO 56 -4.347 17.699 -6.186 298 HG3 PRO 56 HG2 PRO 56 -3.178 16.678 -7.103 299 HD2 PRO 56 HD1 PRO 56 -4.668 15.713 -5.047 300 HD3 PRO 56 HD2 PRO 56 -3.026 15.142 -5.390 301 H ARG 57 H ARG 57 -1.552 20.127 -3.336 302 HA ARG 57 HA ARG 57 -4.013 21.058 -2.140 303 HB2 ARG 57 HB1 ARG 57 -1.357 21.497 -1.611 304 HB3 ARG 57 HB2 ARG 57 -1.825 22.992 -2.432 305 HG2 ARG 57 HG1 ARG 57 -3.447 23.520 -0.812 306 HG3 ARG 57 HG2 ARG 57 -3.406 21.883 -0.137 307 HD2 ARG 57 HD1 ARG 57 -1.247 22.214 0.809 308 HD3 ARG 57 HD2 ARG 57 -1.020 23.715 -0.098 309 HE ARG 57 HE ARG 57 -3.286 23.931 1.578 310 HH11 ARG 57 HH11 ARG 57 0.194 23.864 1.681 311 HH12 ARG 57 HH12 ARG 57 0.299 24.818 3.124 312 HH21 ARG 57 HH21 ARG 57 -3.159 25.187 3.478 313 HH22 ARG 57 HH22 ARG 57 -1.608 25.568 4.145 314 H ASP 58 H ASP 58 -2.261 21.493 -5.102 315 HA ASP 58 HA ASP 58 -3.827 23.825 -5.868 316 HB2 ASP 58 HB1 ASP 58 -2.443 23.896 -7.860 317 HB3 ASP 58 HB2 ASP 58 -1.415 23.703 -6.433 318 HD2 ASP 58 HD ASP 58 -0.135 20.752 -7.595 319 H GLU 59 H GLU 59 -3.819 20.404 -6.293 320 HA GLU 59 HA GLU 59 -5.997 20.657 -8.263 321 HB2 GLU 59 HB1 GLU 59 -3.555 19.253 -8.494 322 HB3 GLU 59 HB2 GLU 59 -4.824 18.036 -8.293 323 HG2 GLU 59 HG1 GLU 59 -6.080 19.332 -10.130 324 HG3 GLU 59 HG2 GLU 59 -4.508 20.077 -10.458 325 HE2 GLU 59 HE GLU 59 -3.780 16.330 -10.911 326 H LYS 60 H LYS 60 -7.194 18.348 -8.279 327 HA LYS 60 HA LYS 60 -8.302 18.112 -5.607 328 HB2 LYS 60 HB1 LYS 60 -9.135 17.334 -8.358 329 HB3 LYS 60 HB2 LYS 60 -9.766 16.368 -7.013 330 HG2 LYS 60 HG1 LYS 60 -11.070 18.047 -6.213 331 HG3 LYS 60 HG2 LYS 60 -9.957 19.312 -6.767 332 HD2 LYS 60 HD1 LYS 60 -10.954 19.501 -8.783 333 HD3 LYS 60 HD2 LYS 60 -11.212 17.753 -8.919 334 HE2 LYS 60 HE1 LYS 60 -12.830 19.045 -6.831 335 HE3 LYS 60 HE2 LYS 60 -13.173 19.603 -8.474 336 HZ1 LYS 60 HZ1 LYS 60 -12.942 16.799 -8.483 337 HZ2 LYS 60 HZ2 LYS 60 -14.290 17.749 -8.861 338 HZ3 LYS 60 HZ3 LYS 60 -14.027 17.250 -7.267 339 HA PRO 61 HA PRO 61 -6.422 14.326 -4.434 340 HB2 PRO 61 HB1 PRO 61 -8.480 12.993 -3.213 341 HB3 PRO 61 HB2 PRO 61 -7.681 14.401 -2.514 342 HG2 PRO 61 HG1 PRO 61 -10.239 14.244 -4.074 343 HG3 PRO 61 HG2 PRO 61 -9.885 15.144 -2.553 344 HD2 PRO 61 HD1 PRO 61 -9.964 16.349 -4.986 345 HD3 PRO 61 HD2 PRO 61 -8.865 16.867 -3.696 346 H PHE 62 H PHE 62 -5.933 12.396 -5.323 347 HA PHE 62 HA PHE 62 -7.918 10.815 -6.699 348 HB2 PHE 62 HB1 PHE 62 -6.940 10.847 -8.869 349 HB3 PHE 62 HB2 PHE 62 -7.140 12.532 -8.382 350 HD1 PHE 62 HD1 PHE 62 -4.936 10.305 -9.858 351 HD2 PHE 62 HD2 PHE 62 -5.024 13.512 -7.062 352 HE1 PHE 62 HE1 PHE 62 -2.548 10.728 -10.273 353 HE2 PHE 62 HE2 PHE 62 -2.637 13.941 -7.473 354 HZ PHE 62 HZ PHE 62 -1.396 12.549 -9.080 355 H CYS 63 H CYS 63 -7.347 8.677 -6.885 356 HA CYS 63 HA CYS 63 -5.187 7.790 -5.232 357 HB2 CYS 63 HB1 CYS 63 -7.506 6.687 -5.661 358 HB3 CYS 63 HB2 CYS 63 -6.728 5.997 -7.086 359 H ALA 64 H ALA 64 -3.143 7.623 -5.839 360 HA ALA 64 HA ALA 64 -2.525 7.307 -8.695 361 HB1 ALA 64 HB1 ALA 64 -1.042 8.917 -8.345 362 HB2 ALA 64 HB2 ALA 64 -1.411 8.926 -6.620 363 HB3 ALA 64 HB3 ALA 64 -0.168 7.845 -7.249 364 H THR 65 H THR 65 -0.678 5.936 -9.263 365 HA THR 65 HA THR 65 -0.801 3.426 -7.805 366 HB THR 65 HB THR 65 0.945 2.943 -9.838 367 HG1 THR 65 HG1 THR 65 0.859 4.793 -10.952 368 HG21 THR 65 HG21 THR 65 -0.850 1.846 -10.929 369 HG22 THR 65 HG22 THR 65 -2.038 2.965 -10.259 370 HG23 THR 65 HG23 THR 65 -1.231 1.799 -9.208 371 H CYS 66 H CYS 66 1.300 2.174 -7.590 372 HA CYS 66 HA CYS 66 3.017 3.512 -5.832 373 HB2 CYS 66 HB1 CYS 66 2.748 1.107 -5.742 374 HB3 CYS 66 HB2 CYS 66 3.416 0.936 -7.367 375 H ARG 67 H ARG 67 5.009 4.439 -6.043 376 HA ARG 67 HA ARG 67 5.731 5.330 -8.702 377 HB2 ARG 67 HB1 ARG 67 7.014 5.921 -6.024 378 HB3 ARG 67 HB2 ARG 67 7.368 6.744 -7.550 379 HG2 ARG 67 HG1 ARG 67 4.569 6.718 -6.486 380 HG3 ARG 67 HG2 ARG 67 5.768 7.848 -5.836 381 HD2 ARG 67 HD1 ARG 67 6.040 7.993 -8.629 382 HD3 ARG 67 HD2 ARG 67 4.301 7.966 -8.310 383 HE ARG 67 HE ARG 67 5.685 9.805 -6.615 384 HH11 ARG 67 HH11 ARG 67 4.322 9.369 -9.789 385 HH12 ARG 67 HH12 ARG 67 4.058 11.062 -10.050 386 HH21 ARG 67 HH21 ARG 67 5.341 12.036 -6.946 387 HH22 ARG 67 HH22 ARG 67 4.638 12.577 -8.433 388 H GLY 68 H GLY 68 8.053 5.303 -9.372 389 HA2 GLY 68 HA2 GLY 68 9.145 2.621 -8.872 390 HA3 GLY 68 HA3 GLY 68 9.485 3.621 -10.277 391 HA1 GLY 68 HA1 GLY 68 9.108 3.218 -8.224 392 H LEU 69 H LEU 69 11.655 2.617 -9.311 393 HA LEU 69 HA LEU 69 12.836 3.938 -7.105 394 HB2 LEU 69 HB1 LEU 69 14.012 2.433 -9.442 395 HB3 LEU 69 HB2 LEU 69 14.985 3.082 -8.111 396 HG LEU 69 HG LEU 69 12.858 0.953 -7.898 397 HD11 LEU 69 HD11 LEU 69 15.649 0.463 -7.090 398 HD12 LEU 69 HD12 LEU 69 15.362 0.630 -8.822 399 HD13 LEU 69 HD13 LEU 69 14.494 -0.597 -7.899 400 HD21 LEU 69 HD21 LEU 69 12.793 2.241 -5.896 401 HD22 LEU 69 HD22 LEU 69 14.554 2.299 -5.803 402 HD23 LEU 69 HD23 LEU 69 13.706 0.773 -5.547 403 H ARG 70 H ARG 70 12.468 4.763 -10.450 404 HA ARG 70 HA ARG 70 14.443 6.901 -10.289 405 HB2 ARG 70 HB1 ARG 70 12.626 6.115 -12.581 406 HB3 ARG 70 HB2 ARG 70 13.987 7.246 -12.657 407 HG2 ARG 70 HG1 ARG 70 14.944 4.780 -11.601 408 HG3 ARG 70 HG2 ARG 70 14.004 4.451 -13.067 409 HD2 ARG 70 HD1 ARG 70 16.104 4.834 -13.952 410 HD3 ARG 70 HD2 ARG 70 15.366 6.438 -14.060 411 HE ARG 70 HE ARG 70 16.869 7.208 -12.507 412 HH11 ARG 70 HH11 ARG 70 16.910 3.727 -12.530 413 HH12 ARG 70 HH12 ARG 70 18.300 3.606 -11.503 414 HH21 ARG 70 HH21 ARG 70 18.699 7.062 -11.154 415 HH22 ARG 70 HH22 ARG 70 19.317 5.505 -10.720 416 H ARG 71 H ARG 71 11.610 6.680 -8.975 417 HA ARG 71 HA ARG 71 10.579 9.268 -9.918 418 HB2 ARG 71 HB1 ARG 71 9.293 6.915 -8.556 419 HB3 ARG 71 HB2 ARG 71 8.541 8.516 -8.497 420 HG2 ARG 71 HG1 ARG 71 9.297 7.152 -11.076 421 HG3 ARG 71 HG2 ARG 71 7.709 6.988 -10.306 422 HD2 ARG 71 HD1 ARG 71 7.222 9.295 -10.561 423 HD3 ARG 71 HD2 ARG 71 8.905 9.666 -10.960 424 HE ARG 71 HE ARG 71 8.041 7.912 -12.904 425 HH11 ARG 71 HH11 ARG 71 7.134 11.066 -11.740 426 HH12 ARG 71 HH12 ARG 71 6.537 11.604 -13.275 427 HH21 ARG 71 HH21 ARG 71 7.257 8.608 -14.929 428 HH22 ARG 71 HH22 ARG 71 6.607 10.205 -15.088 429 H ARG 72 H ARG 72 9.825 10.801 -8.328 430 HA ARG 72 HA ARG 72 11.609 10.921 -6.045 431 HB2 ARG 72 HB1 ARG 72 9.657 12.859 -7.284 432 HB3 ARG 72 HB2 ARG 72 10.456 13.190 -5.740 433 HG2 ARG 72 HG1 ARG 72 12.514 12.429 -7.476 434 HG3 ARG 72 HG2 ARG 72 11.458 13.499 -8.414 435 HD2 ARG 72 HD1 ARG 72 12.317 14.245 -5.630 436 HD3 ARG 72 HD2 ARG 72 13.370 14.539 -7.021 437 HE ARG 72 HE ARG 72 10.966 15.616 -7.746 438 HH11 ARG 72 HH11 ARG 72 13.162 16.038 -5.078 439 HH12 ARG 72 HH12 ARG 72 12.746 17.701 -4.828 440 HH21 ARG 72 HH21 ARG 72 10.408 17.805 -7.427 441 HH22 ARG 72 HH22 ARG 72 11.179 18.704 -6.164 442 H CYS 73 H CYS 73 10.912 11.258 -3.885 443 HA CYS 73 HA CYS 73 8.115 10.642 -3.289 444 HB2 CYS 73 HB1 CYS 73 8.818 8.996 -1.555 445 HB3 CYS 73 HB2 CYS 73 9.152 8.472 -3.206 446 H GLN 74 H GLN 74 7.534 11.097 -1.044 447 HA GLN 74 HA GLN 74 9.229 13.222 0.084 448 HB2 GLN 74 HB1 GLN 74 6.437 13.124 -0.556 449 HB3 GLN 74 HB2 GLN 74 6.623 13.342 1.191 450 HG2 GLN 74 HG1 GLN 74 7.712 15.375 0.971 451 HG3 GLN 74 HG2 GLN 74 8.185 15.043 -0.701 452 HE21 GLN 74 HE21 GLN 74 5.628 16.098 1.395 453 HE22 GLN 74 HE22 GLN 74 4.597 16.726 0.160 454 H ARG 75 H ARG 75 7.559 10.245 0.730 455 HA ARG 75 HA ARG 75 8.726 10.231 3.430 456 HB2 ARG 75 HB1 ARG 75 6.078 10.530 3.072 457 HB3 ARG 75 HB2 ARG 75 6.181 8.764 3.031 458 HG2 ARG 75 HG1 ARG 75 7.719 9.391 5.220 459 HG3 ARG 75 HG2 ARG 75 6.420 10.594 5.283 460 HD2 ARG 75 HD1 ARG 75 5.002 8.345 4.701 461 HD3 ARG 75 HD2 ARG 75 6.317 7.683 5.681 462 HE ARG 75 HE ARG 75 4.135 9.272 6.601 463 HH11 ARG 75 HH11 ARG 75 7.482 8.502 7.173 464 HH12 ARG 75 HH12 ARG 75 7.421 8.903 8.857 465 HH21 ARG 75 HH21 ARG 75 4.042 9.802 8.818 466 HH22 ARG 75 HH22 ARG 75 5.464 9.641 9.792 467 H ASP 76 H ASP 76 8.848 7.976 4.337 468 HA ASP 76 HA ASP 76 10.089 6.268 2.382 469 HB2 ASP 76 HB1 ASP 76 9.551 5.599 5.279 470 HB3 ASP 76 HB2 ASP 76 10.807 4.938 4.225 471 HD2 ASP 76 HD ASP 76 11.474 8.377 6.028 472 H ALA 77 H ALA 77 7.084 6.342 4.169 473 HA ALA 77 HA ALA 77 6.319 3.661 3.463 474 HB1 ALA 77 HB1 ALA 77 4.274 4.105 4.589 475 HB2 ALA 77 HB2 ALA 77 5.557 4.866 5.530 476 HB3 ALA 77 HB3 ALA 77 4.526 5.849 4.491 477 H MET 78 H MET 78 5.984 6.824 2.078 478 HA MET 78 HA MET 78 3.755 6.493 0.454 479 HB2 MET 78 HB1 MET 78 6.127 8.233 0.493 480 HB3 MET 78 HB2 MET 78 5.408 8.013 -1.109 481 HG2 MET 78 HG1 MET 78 3.631 8.695 1.195 482 HG3 MET 78 HG2 MET 78 4.628 9.954 0.457 483 HE1 MET 78 HE1 MET 78 4.904 10.227 -1.888 484 HE2 MET 78 HE2 MET 78 4.035 9.340 -3.141 485 HE3 MET 78 HE3 MET 78 3.444 10.912 -2.602 486 H CYS 79 H CYS 79 7.109 5.526 -0.083 487 HA CYS 79 HA CYS 79 6.582 4.536 -2.736 488 HB2 CYS 79 HB1 CYS 79 8.830 5.399 -1.535 489 HB3 CYS 79 HB2 CYS 79 9.013 3.664 -1.272 490 H CYS 80 H CYS 80 6.889 2.298 -3.368 491 HA CYS 80 HA CYS 80 5.281 0.507 -2.020 492 HB2 CYS 80 HB1 CYS 80 7.316 0.311 -4.169 493 HB3 CYS 80 HB2 CYS 80 6.901 -1.198 -3.351 494 HA PRO 81 HA PRO 81 7.568 -1.242 1.289 495 HB2 PRO 81 HB1 PRO 81 6.858 -3.883 1.171 496 HB3 PRO 81 HB2 PRO 81 5.763 -2.605 1.692 497 HG2 PRO 81 HG1 PRO 81 6.025 -3.904 -0.998 498 HG3 PRO 81 HG2 PRO 81 4.535 -3.519 -0.058 499 HD2 PRO 81 HD1 PRO 81 5.396 -1.989 -2.127 500 HD3 PRO 81 HD2 PRO 81 4.575 -1.310 -0.712 501 H GLY 82 H GLY 82 9.643 -1.789 1.569 502 HA2 GLY 82 HA2 GLY 82 11.466 -3.329 1.297 503 HA3 GLY 82 HA3 GLY 82 10.873 -3.684 -0.319 504 HA1 GLY 82 HA1 GLY 82 11.297 -2.467 1.372 505 H THR 83 H THR 83 10.921 -0.385 0.656 506 HA THR 83 HA THR 83 13.533 0.090 -0.559 507 HB THR 83 HB THR 83 12.288 2.077 -1.807 508 HG1 THR 83 HG1 THR 83 10.299 0.193 -1.222 509 HG21 THR 83 HG21 THR 83 11.940 0.335 -3.749 510 HG22 THR 83 HG22 THR 83 12.761 -0.753 -2.629 511 HG23 THR 83 HG23 THR 83 13.560 0.725 -3.168 512 H LEU 84 H LEU 84 13.998 2.553 -0.499 513 HA LEU 84 HA LEU 84 12.826 3.758 1.910 514 HB2 LEU 84 HB1 LEU 84 15.531 2.809 1.550 515 HB3 LEU 84 HB2 LEU 84 15.507 4.553 1.858 516 HG LEU 84 HG LEU 84 15.817 3.383 3.934 517 HD11 LEU 84 HD11 LEU 84 14.073 4.354 5.223 518 HD12 LEU 84 HD12 LEU 84 12.963 4.333 3.853 519 HD13 LEU 84 HD13 LEU 84 14.354 5.417 3.844 520 HD21 LEU 84 HD21 LEU 84 14.931 1.381 4.283 521 HD22 LEU 84 HD22 LEU 84 14.006 1.518 2.788 522 HD23 LEU 84 HD23 LEU 84 13.318 2.095 4.307 523 H CYS 85 H CYS 85 12.972 6.054 2.020 524 HA CYS 85 HA CYS 85 13.139 7.290 -0.631 525 HB2 CYS 85 HB1 CYS 85 11.072 7.493 0.854 526 HB3 CYS 85 HB2 CYS 85 12.041 8.550 1.881 527 H VAL 86 H VAL 86 15.164 7.945 -1.045 528 HA VAL 86 HA VAL 86 16.520 9.576 1.004 529 HB VAL 86 HB VAL 86 17.832 7.850 -1.101 530 HG11 VAL 86 HG11 VAL 86 19.578 9.201 -0.800 531 HG12 VAL 86 HG12 VAL 86 18.795 10.028 0.549 532 HG13 VAL 86 HG13 VAL 86 19.696 8.538 0.831 533 HG21 VAL 86 HG21 VAL 86 17.624 7.479 1.886 534 HG22 VAL 86 HG22 VAL 86 16.826 6.500 0.654 535 HG23 VAL 86 HG23 VAL 86 18.584 6.480 0.795 536 H ASN 87 H ASN 87 17.198 11.562 0.430 537 HA ASN 87 HA ASN 87 17.344 13.492 -0.773 538 HB2 ASN 87 HB1 ASN 87 18.981 11.645 -1.960 539 HB3 ASN 87 HB2 ASN 87 17.982 12.167 -3.323 540 HD21 ASN 87 HD21 ASN 87 20.338 13.134 -0.970 541 HD22 ASN 87 HD22 ASN 87 20.744 14.648 -1.698 542 H ASP 88 H ASP 88 14.766 12.307 -0.645 543 HA ASP 88 HA ASP 88 12.681 12.572 -1.514 544 HB2 ASP 88 HB1 ASP 88 13.902 14.435 -3.556 545 HB3 ASP 88 HB2 ASP 88 12.254 14.446 -2.915 546 HD2 ASP 88 HD ASP 88 15.120 16.039 -0.682 547 H VAL 89 H VAL 89 14.556 10.558 -2.591 548 HA VAL 89 HA VAL 89 13.094 9.994 -5.073 549 HB VAL 89 HB VAL 89 16.069 9.575 -4.759 550 HG11 VAL 89 HG11 VAL 89 14.117 8.974 -6.959 551 HG12 VAL 89 HG12 VAL 89 15.843 9.161 -7.271 552 HG13 VAL 89 HG13 VAL 89 15.274 7.893 -6.184 553 HG21 VAL 89 HG21 VAL 89 15.767 11.275 -6.857 554 HG22 VAL 89 HG22 VAL 89 14.489 11.830 -5.777 555 HG23 VAL 89 HG23 VAL 89 16.158 11.777 -5.212 556 H CYS 90 H CYS 90 12.601 7.861 -5.420 557 HA CYS 90 HA CYS 90 12.669 6.137 -3.139 558 HB2 CYS 90 HB1 CYS 90 11.611 5.930 -5.940 559 HB3 CYS 90 HB2 CYS 90 11.716 4.481 -4.938 560 H THR 91 H THR 91 14.511 5.188 -2.555 561 HA THR 91 HA THR 91 16.195 3.992 -4.657 562 HB THR 91 HB THR 91 17.310 5.791 -3.362 563 HG1 THR 91 HG1 THR 91 18.822 4.422 -4.048 564 HG21 THR 91 HG21 THR 91 17.946 5.317 -1.013 565 HG22 THR 91 HG22 THR 91 16.883 3.910 -1.038 566 HG23 THR 91 HG23 THR 91 16.209 5.529 -1.223 567 H THR 92 H THR 92 17.367 2.018 -4.017 568 HA THR 92 HA THR 92 15.565 0.189 -2.679 569 HB THR 92 HB THR 92 17.648 -1.389 -3.288 570 HG1 THR 92 HG1 THR 92 18.542 -0.594 -5.276 571 HG21 THR 92 HG21 THR 92 15.241 -0.500 -4.725 572 HG22 THR 92 HG22 THR 92 15.796 -2.130 -4.341 573 HG23 THR 92 HG23 THR 92 16.464 -1.275 -5.731 574 H MET 93 H MET 93 16.046 -1.052 -0.866 575 HA MET 93 HA MET 93 17.394 0.167 1.223 576 HB2 MET 93 HB1 MET 93 16.029 -2.327 0.760 577 HB3 MET 93 HB2 MET 93 17.480 -2.606 1.734 578 HG2 MET 93 HG1 MET 93 16.213 -0.309 2.792 579 HG3 MET 93 HG2 MET 93 14.965 -1.531 2.528 580 HE1 MET 93 HE1 MET 93 14.221 -2.206 4.688 581 HE2 MET 93 HE2 MET 93 15.205 -2.578 6.103 582 HE3 MET 93 HE3 MET 93 15.095 -0.918 5.518 583 H GLU 94 H GLU 94 18.564 -2.156 -1.146 584 HA GLU 94 HA GLU 94 21.005 -2.805 0.071 585 HB2 GLU 94 HB1 GLU 94 20.471 -2.600 -2.901 586 HB3 GLU 94 HB2 GLU 94 21.717 -3.575 -2.106 587 HG2 GLU 94 HG1 GLU 94 19.739 -4.739 -0.917 588 HG3 GLU 94 HG2 GLU 94 18.764 -4.021 -2.207 589 HE2 GLU 94 HE GLU 94 19.752 -7.205 -3.484 590 H ASP 95 H ASP 95 19.981 0.010 -1.680 591 HA ASP 95 HA ASP 95 22.687 0.997 -2.039 592 HB2 ASP 95 HB1 ASP 95 19.954 1.884 -2.860 593 HB3 ASP 95 HB2 ASP 95 21.232 3.103 -2.756 594 HD2 ASP 95 HD ASP 95 22.967 1.693 -5.455 595 H ALA 96 H ALA 96 19.768 2.003 -0.264 596 HA ALA 96 HA ALA 96 21.050 4.113 1.133 597 HB1 ALA 96 HB1 ALA 96 18.564 2.651 1.999 598 HB2 ALA 96 HB2 ALA 96 19.043 4.302 2.395 599 HB3 ALA 96 HB3 ALA 96 18.582 3.890 0.744 600 H THR 97 H THR 97 22.467 3.976 2.733 601 HA THR 97 HA THR 97 22.189 1.928 4.777 602 HB THR 97 HB THR 97 24.913 1.825 4.371 603 HG1 THR 97 HG1 THR 97 25.313 1.768 2.253 604 HG21 THR 97 HG21 THR 97 24.138 -0.424 3.129 605 HG22 THR 97 HG22 THR 97 22.604 0.043 3.861 606 HG23 THR 97 HG23 THR 97 24.025 -0.206 4.874 607 H GLU 98 H GLU 98 21.879 3.437 6.354 608 HA GLU 98 HA GLU 98 24.165 5.200 6.921 609 HB2 GLU 98 HB1 GLU 98 22.535 6.883 7.805 610 HB3 GLU 98 HB2 GLU 98 22.466 6.645 6.051 611 HG2 GLU 98 HG1 GLU 98 20.290 6.292 6.210 612 HG3 GLU 98 HG2 GLU 98 20.634 4.831 7.149 613 HE2 GLU 98 HE GLU 98 19.038 6.282 9.801 614 H ASN 99 H ASN 99 24.389 5.796 9.179 615 HA ASN 99 HA ASN 99 22.855 4.387 11.163 616 HB2 ASN 99 HB1 ASN 99 24.972 3.287 12.112 617 HB3 ASN 99 HB2 ASN 99 24.233 2.536 10.693 618 HD21 ASN 99 HD21 ASN 99 25.224 2.756 8.668 619 HD22 ASN 99 HD22 ASN 99 26.893 3.179 8.524 620 H LEU 100 H LEU 100 23.901 4.742 13.402 621 HA LEU 100 HA LEU 100 25.360 7.286 13.497 622 HB2 LEU 100 HB1 LEU 100 22.905 6.651 15.144 623 HB3 LEU 100 HB2 LEU 100 23.890 8.119 15.250 624 HG LEU 100 HG LEU 100 23.071 7.962 12.575 625 HD11 LEU 100 HD11 LEU 100 20.568 7.853 14.147 626 HD12 LEU 100 HD12 LEU 100 21.365 6.319 13.799 627 HD13 LEU 100 HD13 LEU 100 20.884 7.383 12.477 628 HD21 LEU 100 HD21 LEU 100 22.374 9.637 14.952 629 HD22 LEU 100 HD22 LEU 100 21.549 9.889 13.414 630 HD23 LEU 100 HD23 LEU 100 23.302 10.064 13.514 631 H TYR 101 H TYR 101 26.751 7.520 15.212 632 HA TYR 101 HA TYR 101 26.953 5.223 17.048 633 HB2 TYR 101 HB1 TYR 101 29.026 6.611 15.411 634 HB3 TYR 101 HB2 TYR 101 29.494 6.050 17.018 635 HD1 TYR 101 HD1 TYR 101 29.664 3.697 17.539 636 HD2 TYR 101 HD2 TYR 101 28.408 4.977 13.681 637 HE1 TYR 101 HE1 TYR 101 30.008 1.419 16.679 638 HE2 TYR 101 HE2 TYR 101 28.749 2.702 12.809 639 HH TYR 101 HH TYR 101 30.487 0.568 13.870 640 H PHE 102 H PHE 102 27.200 5.647 19.176 641 HA PHE 102 HA PHE 102 26.787 8.371 20.045 642 HB2 PHE 102 HB1 PHE 102 26.655 5.670 21.274 643 HB3 PHE 102 HB2 PHE 102 27.061 7.004 22.357 644 HD1 PHE 102 HD1 PHE 102 24.735 6.862 19.452 645 HD2 PHE 102 HD2 PHE 102 25.201 7.457 23.640 646 HE1 PHE 102 HE1 PHE 102 22.357 7.470 19.627 647 HE2 PHE 102 HE2 PHE 102 22.824 8.065 23.822 648 HZ PHE 102 HZ PHE 102 21.399 8.072 21.814 649 H GLN 103 H GLN 103 28.445 9.715 20.254 650 HA GLN 103 HA GLN 103 31.139 8.994 20.318 651 HB2 GLN 103 HB1 GLN 103 29.630 11.387 20.306 652 HB3 GLN 103 HB2 GLN 103 30.760 11.499 21.666 653 HG2 GLN 103 HG1 GLN 103 32.282 10.496 19.554 654 HG3 GLN 103 HG2 GLN 103 31.257 11.748 18.841 655 HE21 GLN 103 HE21 GLN 103 31.140 13.798 20.217 656 HE22 GLN 103 HE22 GLN 103 32.646 14.379 20.832 657 H SER 104 H SER 104 32.706 9.257 22.038 658 HA SER 104 HA SER 104 31.769 8.058 24.492 659 HB2 SER 104 HB1 SER 104 34.238 8.176 23.050 660 HB3 SER 104 HB2 SER 104 34.516 8.789 24.690 661 HG SER 104 HG SER 104 33.445 6.276 23.937 662 H LEU 105 H LEU 105 32.934 8.944 26.569 663 HA LEU 105 HA LEU 105 31.987 11.668 26.884 664 HB2 LEU 105 HB1 LEU 105 32.040 9.423 28.512 665 HB3 LEU 105 HB2 LEU 105 33.282 10.484 29.199 666 HG LEU 105 HG LEU 105 31.226 10.871 30.357 667 HD11 LEU 105 HD11 LEU 105 31.190 13.166 30.268 668 HD12 LEU 105 HD12 LEU 105 31.318 13.210 28.510 669 HD13 LEU 105 HD13 LEU 105 32.733 12.821 29.487 670 HD21 LEU 105 HD21 LEU 105 29.539 12.012 28.405 671 HD22 LEU 105 HD22 LEU 105 29.273 10.551 29.357 672 HD23 LEU 105 HD23 LEU 105 30.068 10.449 27.783 673 H GLU 106 H GLU 106 33.246 13.402 26.796 674 HA GLU 106 HA GLU 106 36.099 13.126 27.437 675 HB2 GLU 106 HB1 GLU 106 35.107 13.476 24.852 676 HB3 GLU 106 HB2 GLU 106 35.631 15.091 25.352 677 HG2 GLU 106 HG1 GLU 106 37.694 14.526 24.778 678 HG3 GLU 106 HG2 GLU 106 37.693 13.409 26.151 679 HE2 GLU 106 HE GLU 106 38.128 10.859 23.912 680 H HIS 107 H HIS 107 37.130 15.377 27.628 681 HA HIS 107 HA HIS 107 35.535 17.624 28.237 682 HB2 HIS 107 HB1 HIS 107 35.223 15.833 30.196 683 HB3 HIS 107 HB2 HIS 107 36.720 16.582 30.762 684 HD1 HIS 107 HD1 HIS 107 35.690 17.770 32.763 685 HD2 HIS 107 HD2 HIS 107 33.888 18.761 29.153 686 HE1 HIS 107 HE1 HIS 107 34.204 19.734 33.270 687 HE2 HIS 107 HE2 HIS 107 33.101 20.341 31.064 688 H HIS 108 H HIS 108 36.769 19.438 28.408 689 HA HIS 108 HA HIS 108 39.513 19.371 29.225 690 HB2 HIS 108 HB1 HIS 108 38.928 18.881 26.477 691 HB3 HIS 108 HB2 HIS 108 39.659 20.484 26.601 692 HD1 HIS 108 HD1 HIS 108 40.745 17.316 25.841 693 HD2 HIS 108 HD2 HIS 108 42.042 20.093 28.647 694 HE1 HIS 108 HE1 HIS 108 43.117 16.676 26.376 695 HE2 HIS 108 HE2 HIS 108 43.911 18.373 28.089 696 H HIS 109 H HIS 109 40.555 21.616 28.557 697 HA HIS 109 HA HIS 109 38.683 23.792 28.354 698 HB2 HIS 109 HB1 HIS 109 39.251 22.812 30.921 699 HB3 HIS 109 HB2 HIS 109 40.227 24.274 30.755 700 HD1 HIS 109 HD1 HIS 109 36.732 23.130 31.164 701 HD2 HIS 109 HD2 HIS 109 38.746 26.678 30.374 702 HE1 HIS 109 HE1 HIS 109 35.043 24.958 31.526 703 HE2 HIS 109 HE2 HIS 109 36.273 27.126 31.046 704 H HIS 110 H HIS 110 39.774 25.902 28.311 705 HA HIS 110 HA HIS 110 42.586 26.148 28.297 706 HB2 HIS 110 HB1 HIS 110 42.839 26.562 25.818 707 HB3 HIS 110 HB2 HIS 110 42.612 24.873 26.286 708 HD1 HIS 110 HD1 HIS 110 40.573 23.657 25.406 709 HD2 HIS 110 HD2 HIS 110 40.551 27.716 24.528 710 HE1 HIS 110 HE1 HIS 110 38.683 23.981 23.781 711 HE2 HIS 110 HE2 HIS 110 38.668 26.463 23.242 712 H HIS 111 H HIS 111 43.278 28.280 27.330 713 HA HIS 111 HA HIS 111 41.096 30.242 27.603 714 HB2 HIS 111 HB1 HIS 111 42.667 31.801 28.558 715 HB3 HIS 111 HB2 HIS 111 42.756 30.284 29.458 716 HD1 HIS 111 HD1 HIS 111 44.994 29.181 29.643 717 HD2 HIS 111 HD2 HIS 111 44.925 32.153 26.741 718 HE1 HIS 111 HE1 HIS 111 47.381 29.449 28.899 719 HE2 HIS 111 HE2 HIS 111 47.341 31.266 27.126 720 H HIS 112 H HIS 112 42.286 32.505 26.748 721 HA HIS 112 HA HIS 112 42.189 32.253 23.939 722 HB2 HIS 112 HB1 HIS 112 42.574 34.408 25.899 723 HB3 HIS 112 HB2 HIS 112 43.406 34.682 24.365 724 HD1 HIS 112 HD1 HIS 112 40.145 34.993 25.923 725 HD2 HIS 112 HD2 HIS 112 41.592 34.544 22.054 726 HE1 HIS 112 HE1 HIS 112 38.254 35.679 24.413 727 HE2 HIS 112 HE2 HIS 112 39.137 35.407 22.048 Start of MODEL 40 1 H1 MET 18 H MET 18 0.255 31.666 21.896 2 HA MET 18 HA MET 18 2.483 31.109 20.493 3 HB2 MET 18 HB1 MET 18 1.727 28.697 22.154 4 HB3 MET 18 HB2 MET 18 2.771 28.621 20.725 5 HG2 MET 18 HG1 MET 18 4.506 28.984 22.056 6 HG3 MET 18 HG2 MET 18 3.886 30.622 22.291 7 HE1 MET 18 HE1 MET 18 1.592 30.670 24.769 8 HE2 MET 18 HE2 MET 18 3.068 31.037 25.663 9 HE3 MET 18 HE3 MET 18 2.903 31.551 23.983 10 H LEU 19 H LEU 19 0.037 31.941 19.804 11 HA LEU 19 HA LEU 19 -1.255 29.686 18.433 12 HB2 LEU 19 HB1 LEU 19 -2.299 32.492 18.843 13 HB3 LEU 19 HB2 LEU 19 -3.192 31.106 18.195 14 HG LEU 19 HG LEU 19 -2.085 30.957 20.965 15 HD11 LEU 19 HD11 LEU 19 -4.670 32.321 20.227 16 HD12 LEU 19 HD12 LEU 19 -3.228 33.124 20.848 17 HD13 LEU 19 HD13 LEU 19 -4.099 31.973 21.859 18 HD21 LEU 19 HD21 LEU 19 -4.610 29.889 19.710 19 HD22 LEU 19 HD22 LEU 19 -3.974 29.497 21.308 20 HD23 LEU 19 HD23 LEU 19 -3.100 28.990 19.861 21 H VAL 20 H VAL 20 -0.964 29.442 16.322 22 HA VAL 20 HA VAL 20 0.381 31.537 14.814 23 HB VAL 20 HB VAL 20 -0.383 28.764 13.891 24 HG11 VAL 20 HG11 VAL 20 1.557 29.228 12.301 25 HG12 VAL 20 HG12 VAL 20 0.045 30.084 11.995 26 HG13 VAL 20 HG13 VAL 20 1.390 30.918 12.775 27 HG21 VAL 20 HG21 VAL 20 1.621 29.595 15.763 28 HG22 VAL 20 HG22 VAL 20 1.222 27.969 15.207 29 HG23 VAL 20 HG23 VAL 20 2.390 28.944 14.316 30 H LEU 21 H LEU 21 -0.547 32.767 13.289 31 HA LEU 21 HA LEU 21 -3.418 32.520 12.896 32 HB2 LEU 21 HB1 LEU 21 -1.447 34.647 12.798 33 HB3 LEU 21 HB2 LEU 21 -2.498 34.655 11.371 34 HG LEU 21 HG LEU 21 -3.381 36.151 13.043 35 HD11 LEU 21 HD11 LEU 21 -5.423 34.228 13.533 36 HD12 LEU 21 HD12 LEU 21 -4.792 33.987 11.904 37 HD13 LEU 21 HD13 LEU 21 -5.413 35.566 12.385 38 HD21 LEU 21 HD21 LEU 21 -3.860 35.572 15.251 39 HD22 LEU 21 HD22 LEU 21 -2.293 34.820 14.950 40 HD23 LEU 21 HD23 LEU 21 -3.762 33.843 14.919 41 H ASP 22 H ASP 22 -4.364 31.772 11.106 42 HA ASP 22 HA ASP 22 -2.659 30.837 8.934 43 HB2 ASP 22 HB1 ASP 22 -5.633 30.418 9.345 44 HB3 ASP 22 HB2 ASP 22 -4.592 29.564 8.197 45 HD2 ASP 22 HD ASP 22 -4.974 27.932 11.602 46 H PHE 23 H PHE 23 -4.227 30.880 6.757 47 HA PHE 23 HA PHE 23 -5.597 33.285 6.242 48 HB2 PHE 23 HB1 PHE 23 -2.717 33.456 6.157 49 HB3 PHE 23 HB2 PHE 23 -3.389 33.743 4.550 50 HD1 PHE 23 HD1 PHE 23 -2.257 35.418 7.259 51 HD2 PHE 23 HD2 PHE 23 -5.733 35.227 4.809 52 HE1 PHE 23 HE1 PHE 23 -2.825 37.727 7.890 53 HE2 PHE 23 HE2 PHE 23 -6.306 37.536 5.435 54 HZ PHE 23 HZ PHE 23 -4.851 38.789 6.976 55 H ASN 24 H ASN 24 -6.296 33.466 4.047 56 HA ASN 24 HA ASN 24 -5.717 31.119 2.373 57 HB2 ASN 24 HB1 ASN 24 -8.117 31.056 1.717 58 HB3 ASN 24 HB2 ASN 24 -7.852 30.685 3.426 59 HD21 ASN 24 HD21 ASN 24 -9.694 32.426 1.323 60 HD22 ASN 24 HD22 ASN 24 -10.322 33.613 2.410 61 H ASN 25 H ASN 25 -7.066 34.394 2.496 62 HA ASN 25 HA ASN 25 -7.044 36.111 1.005 63 HB2 ASN 25 HB1 ASN 25 -4.539 34.776 0.717 64 HB3 ASN 25 HB2 ASN 25 -5.088 35.258 -0.892 65 HD21 ASN 25 HD21 ASN 25 -6.252 37.579 -0.664 66 HD22 ASN 25 HD22 ASN 25 -5.216 38.771 0.036 67 H ILE 26 H ILE 26 -9.010 35.894 0.033 68 HA ILE 26 HA ILE 26 -9.600 33.931 -1.935 69 HB ILE 26 HB ILE 26 -11.054 36.537 -1.490 70 HG12 ILE 26 HG11 ILE 26 -12.409 34.385 -0.253 71 HG13 ILE 26 HG12 ILE 26 -10.720 34.288 0.271 72 HG21 ILE 26 HG21 ILE 26 -12.999 35.205 -2.305 73 HG22 ILE 26 HG22 ILE 26 -11.742 35.466 -3.513 74 HG23 ILE 26 HG23 ILE 26 -11.876 33.906 -2.703 75 HD11 ILE 26 HD11 ILE 26 -11.617 37.004 0.403 76 HD12 ILE 26 HD12 ILE 26 -12.716 35.949 1.293 77 HD13 ILE 26 HD13 ILE 26 -10.997 35.962 1.684 78 H ARG 27 H ARG 27 -9.180 33.913 -4.043 79 HA ARG 27 HA ARG 27 -7.777 36.128 -5.244 80 HB2 ARG 27 HB1 ARG 27 -7.558 34.678 -7.197 81 HB3 ARG 27 HB2 ARG 27 -7.103 33.818 -5.717 82 HG2 ARG 27 HG1 ARG 27 -8.993 32.472 -5.745 83 HG3 ARG 27 HG2 ARG 27 -9.878 33.584 -6.803 84 HD2 ARG 27 HD1 ARG 27 -7.438 32.624 -8.060 85 HD3 ARG 27 HD2 ARG 27 -8.503 31.297 -7.574 86 HE ARG 27 HE ARG 27 -10.049 33.238 -8.872 87 HH11 ARG 27 HH11 ARG 27 -7.534 30.935 -9.569 88 HH12 ARG 27 HH12 ARG 27 -8.017 30.709 -11.218 89 HH21 ARG 27 HH21 ARG 27 -10.696 32.950 -11.040 90 HH22 ARG 27 HH22 ARG 27 -9.815 31.857 -12.053 91 H SER 28 H SER 28 -8.524 36.303 -7.785 92 HA SER 28 HA SER 28 -11.078 37.657 -7.605 93 HB2 SER 28 HB1 SER 28 -9.078 37.416 -9.874 94 HB3 SER 28 HB2 SER 28 -10.550 38.399 -9.930 95 HG SER 28 HG SER 28 -8.302 39.258 -9.132 96 H SER 29 H SER 29 -12.967 36.876 -8.266 97 HA SER 29 HA SER 29 -14.534 35.433 -9.071 98 HB2 SER 29 HB1 SER 29 -12.484 35.330 -11.299 99 HB3 SER 29 HB2 SER 29 -14.075 34.557 -11.407 100 HG SER 29 HG SER 29 -14.814 36.431 -11.964 101 H ALA 30 H ALA 30 -14.405 33.867 -7.464 102 HA ALA 30 HA ALA 30 -13.626 31.269 -8.344 103 HB1 ALA 30 HB1 ALA 30 -11.431 31.778 -7.737 104 HB2 ALA 30 HB2 ALA 30 -11.936 32.665 -6.298 105 HB3 ALA 30 HB3 ALA 30 -12.069 30.907 -6.342 106 H ASP 31 H ASP 31 -15.798 30.832 -7.882 107 HA ASP 31 HA ASP 31 -16.489 30.808 -5.017 108 HB2 ASP 31 HB1 ASP 31 -17.960 31.682 -7.363 109 HB3 ASP 31 HB2 ASP 31 -18.850 30.441 -6.470 110 HD2 ASP 31 HD ASP 31 -19.801 32.742 -4.141 111 H LEU 32 H LEU 32 -17.451 29.087 -7.993 112 HA LEU 32 HA LEU 32 -17.753 26.879 -8.443 113 HB2 LEU 32 HB1 LEU 32 -15.363 27.014 -7.196 114 HB3 LEU 32 HB2 LEU 32 -16.241 25.952 -6.084 115 HG LEU 32 HG LEU 32 -16.482 25.162 -8.890 116 HD11 LEU 32 HD11 LEU 32 -13.869 25.835 -7.822 117 HD12 LEU 32 HD12 LEU 32 -14.346 25.418 -9.467 118 HD13 LEU 32 HD13 LEU 32 -13.986 24.143 -8.303 119 HD21 LEU 32 HD21 LEU 32 -15.980 23.908 -6.231 120 HD22 LEU 32 HD22 LEU 32 -15.603 23.005 -7.698 121 HD23 LEU 32 HD23 LEU 32 -17.248 23.577 -7.412 122 H HIS 33 H HIS 33 -19.591 28.265 -6.701 123 HA HIS 33 HA HIS 33 -21.421 27.843 -5.419 124 HB2 HIS 33 HB1 HIS 33 -20.863 25.382 -6.856 125 HB3 HIS 33 HB2 HIS 33 -21.630 25.056 -5.299 126 HD1 HIS 33 HD1 HIS 33 -24.098 25.447 -5.114 127 HD2 HIS 33 HD2 HIS 33 -22.476 27.099 -8.565 128 HE1 HIS 33 HE1 HIS 33 -26.064 26.218 -6.479 129 HE2 HIS 33 HE2 HIS 33 -25.076 27.229 -8.588 130 H GLY 34 H GLY 34 -22.168 26.211 -3.510 131 HA2 GLY 34 HA2 GLY 34 -19.941 26.327 -1.587 132 HA3 GLY 34 HA3 GLY 34 -21.647 26.394 -1.171 133 HA1 GLY 34 HA1 GLY 34 -19.937 25.759 -2.263 134 H ALA 35 H ALA 35 -18.926 24.428 -1.419 135 HA ALA 35 HA ALA 35 -20.430 22.128 -0.534 136 HB1 ALA 35 HB1 ALA 35 -20.703 21.463 -2.700 137 HB2 ALA 35 HB2 ALA 35 -19.230 22.266 -3.249 138 HB3 ALA 35 HB3 ALA 35 -19.127 20.743 -2.364 139 H ARG 36 H ARG 36 -19.285 21.038 0.937 140 HA ARG 36 HA ARG 36 -16.437 21.678 1.207 141 HB2 ARG 36 HB1 ARG 36 -18.248 20.301 3.201 142 HB3 ARG 36 HB2 ARG 36 -16.628 20.951 3.500 143 HG2 ARG 36 HG1 ARG 36 -17.777 23.201 2.679 144 HG3 ARG 36 HG2 ARG 36 -19.223 22.361 3.266 145 HD2 ARG 36 HD1 ARG 36 -17.261 21.951 5.236 146 HD3 ARG 36 HD2 ARG 36 -17.126 23.649 4.759 147 HE ARG 36 HE ARG 36 -19.835 22.858 5.223 148 HH11 ARG 36 HH11 ARG 36 -16.889 23.888 6.765 149 HH12 ARG 36 HH12 ARG 36 -17.690 24.542 8.155 150 HH21 ARG 36 HH21 ARG 36 -20.902 23.715 7.047 151 HH22 ARG 36 HH22 ARG 36 -19.974 24.442 8.314 152 H LYS 37 H LYS 37 -18.564 18.842 1.622 153 HA LYS 37 HA LYS 37 -18.233 16.623 1.248 154 HB2 LYS 37 HB1 LYS 37 -17.253 17.974 -0.995 155 HB3 LYS 37 HB2 LYS 37 -15.995 16.797 -0.589 156 HG2 LYS 37 HG1 LYS 37 -17.772 15.025 -0.557 157 HG3 LYS 37 HG2 LYS 37 -18.886 16.242 -1.204 158 HD2 LYS 37 HD1 LYS 37 -16.892 16.555 -2.961 159 HD3 LYS 37 HD2 LYS 37 -16.612 14.863 -2.515 160 HE2 LYS 37 HE1 LYS 37 -19.397 15.125 -2.892 161 HE3 LYS 37 HE2 LYS 37 -18.620 15.975 -4.236 162 HZ1 LYS 37 HZ1 LYS 37 -17.171 13.726 -4.121 163 HZ2 LYS 37 HZ2 LYS 37 -18.514 13.939 -5.127 164 HZ3 LYS 37 HZ3 LYS 37 -18.686 13.147 -3.642 165 H GLY 38 H GLY 38 -16.122 15.006 0.831 166 HA2 GLY 38 HA2 GLY 38 -14.128 15.758 2.868 167 HA3 GLY 38 HA3 GLY 38 -14.965 14.216 2.976 168 HA1 GLY 38 HA1 GLY 38 -14.132 15.912 2.000 169 H SER 39 H SER 39 -13.720 12.596 2.352 170 HA SER 39 HA SER 39 -12.186 12.852 -0.124 171 HB2 SER 39 HB1 SER 39 -10.444 11.387 1.416 172 HB3 SER 39 HB2 SER 39 -10.285 13.117 1.069 173 HG SER 39 HG SER 39 -10.311 13.201 3.192 174 H GLN 40 H GLN 40 -11.987 10.972 -1.280 175 HA GLN 40 HA GLN 40 -13.863 8.919 -0.766 176 HB2 GLN 40 HB1 GLN 40 -12.830 7.776 -2.704 177 HB3 GLN 40 HB2 GLN 40 -13.237 9.467 -3.036 178 HG2 GLN 40 HG1 GLN 40 -11.142 9.962 -3.556 179 HG3 GLN 40 HG2 GLN 40 -10.546 9.256 -2.046 180 HE21 GLN 40 HE21 GLN 40 -9.832 9.162 -5.060 181 HE22 GLN 40 HE22 GLN 40 -9.505 7.488 -5.323 182 H CYS 41 H CYS 41 -10.523 9.343 0.057 183 HA CYS 41 HA CYS 41 -10.523 6.666 1.286 184 HB2 CYS 41 HB1 CYS 41 -8.147 6.458 0.834 185 HB3 CYS 41 HB2 CYS 41 -9.023 6.729 -0.674 186 H LEU 42 H LEU 42 -9.294 6.455 3.234 187 HA LEU 42 HA LEU 42 -9.027 9.004 4.678 188 HB2 LEU 42 HB1 LEU 42 -10.673 7.102 5.385 189 HB3 LEU 42 HB2 LEU 42 -9.206 6.347 6.033 190 HG LEU 42 HG LEU 42 -9.804 9.152 6.831 191 HD11 LEU 42 HD11 LEU 42 -11.467 8.645 8.327 192 HD12 LEU 42 HD12 LEU 42 -11.056 6.932 8.376 193 HD13 LEU 42 HD13 LEU 42 -11.903 7.596 6.978 194 HD21 LEU 42 HD21 LEU 42 -7.959 7.161 7.533 195 HD22 LEU 42 HD22 LEU 42 -9.055 7.314 8.907 196 HD23 LEU 42 HD23 LEU 42 -8.195 8.731 8.301 197 H SER 43 H SER 43 -7.396 6.101 3.709 198 HA SER 43 HA SER 43 -4.862 7.223 4.552 199 HB2 SER 43 HB1 SER 43 -6.017 5.653 6.399 200 HB3 SER 43 HB2 SER 43 -5.241 4.401 5.413 201 HG SER 43 HG SER 43 -4.119 6.077 7.184 202 H ASP 44 H ASP 44 -3.050 5.560 3.952 203 HA ASP 44 HA ASP 44 -3.213 5.129 1.174 204 HB2 ASP 44 HB1 ASP 44 -1.008 4.367 1.286 205 HB3 ASP 44 HB2 ASP 44 -1.129 5.453 2.676 206 HD2 ASP 44 HD ASP 44 -0.527 2.915 4.903 207 H THR 45 H THR 45 -4.004 3.135 3.892 208 HA THR 45 HA THR 45 -3.937 0.633 2.513 209 HB THR 45 HB THR 45 -5.218 -0.228 4.464 210 HG1 THR 45 HG1 THR 45 -4.930 2.296 5.686 211 HG21 THR 45 HG21 THR 45 -2.832 -0.259 4.630 212 HG22 THR 45 HG22 THR 45 -3.462 0.309 6.177 213 HG23 THR 45 HG23 THR 45 -2.781 1.458 5.025 214 H ASP 46 H ASP 46 -6.247 3.191 2.843 215 HA ASP 46 HA ASP 46 -8.584 1.711 2.209 216 HB2 ASP 46 HB1 ASP 46 -8.609 3.944 3.293 217 HB3 ASP 46 HB2 ASP 46 -8.047 4.656 1.775 218 HD2 ASP 46 HD ASP 46 -11.188 4.523 0.363 219 H CYS 47 H CYS 47 -6.034 3.112 0.312 220 HA CYS 47 HA CYS 47 -7.248 3.396 -2.164 221 HB2 CYS 47 HB1 CYS 47 -4.538 3.151 -1.139 222 HB3 CYS 47 HB2 CYS 47 -4.703 2.390 -2.723 223 H ASN 48 H ASN 48 -5.253 0.588 -1.229 224 HA ASN 48 HA ASN 48 -7.170 -1.326 -2.066 225 HB2 ASN 48 HB1 ASN 48 -5.350 -0.257 -4.089 226 HB3 ASN 48 HB2 ASN 48 -5.228 -2.014 -3.923 227 HD21 ASN 48 HD21 ASN 48 -7.404 -3.148 -3.803 228 HD22 ASN 48 HD22 ASN 48 -8.597 -2.625 -4.938 229 H THR 49 H THR 49 -3.642 -1.286 -2.503 230 HA THR 49 HA THR 49 -3.180 -2.748 -0.068 231 HB THR 49 HB THR 49 -2.666 -4.159 -2.693 232 HG1 THR 49 HG1 THR 49 -4.710 -4.350 -0.766 233 HG21 THR 49 HG21 THR 49 -2.147 -6.080 -1.130 234 HG22 THR 49 HG22 THR 49 -2.117 -4.896 0.177 235 HG23 THR 49 HG23 THR 49 -0.965 -4.771 -1.153 236 H ARG 50 H ARG 50 -1.560 -2.592 -3.242 237 HA ARG 50 HA ARG 50 0.851 -1.622 -1.886 238 HB2 ARG 50 HB1 ARG 50 0.538 -2.609 -4.730 239 HB3 ARG 50 HB2 ARG 50 2.057 -2.285 -3.880 240 HG2 ARG 50 HG1 ARG 50 1.478 -4.091 -2.263 241 HG3 ARG 50 HG2 ARG 50 0.078 -4.470 -3.279 242 HD2 ARG 50 HD1 ARG 50 2.712 -4.307 -4.642 243 HD3 ARG 50 HD2 ARG 50 2.447 -5.679 -3.557 244 HE ARG 50 HE ARG 50 0.298 -5.252 -5.419 245 HH11 ARG 50 HH11 ARG 50 3.393 -6.762 -4.909 246 HH12 ARG 50 HH12 ARG 50 3.142 -7.982 -6.113 247 HH21 ARG 50 HH21 ARG 50 -0.044 -6.853 -7.007 248 HH22 ARG 50 HH22 ARG 50 1.188 -8.032 -7.307 249 H LYS 51 H LYS 51 -1.426 0.112 -2.375 250 HA LYS 51 HA LYS 51 -0.093 2.099 -4.089 251 HB2 LYS 51 HB1 LYS 51 -3.005 1.318 -4.031 252 HB3 LYS 51 HB2 LYS 51 -2.473 2.894 -4.641 253 HG2 LYS 51 HG1 LYS 51 -0.936 1.606 -6.211 254 HG3 LYS 51 HG2 LYS 51 -1.876 0.174 -5.755 255 HD2 LYS 51 HD1 LYS 51 -3.939 1.277 -6.506 256 HD3 LYS 51 HD2 LYS 51 -2.994 2.702 -6.970 257 HE2 LYS 51 HE1 LYS 51 -1.643 1.146 -8.474 258 HE3 LYS 51 HE2 LYS 51 -2.910 -0.052 -8.176 259 HZ1 LYS 51 HZ1 LYS 51 -3.483 1.041 -10.161 260 HZ2 LYS 51 HZ2 LYS 51 -3.184 2.575 -9.515 261 HZ3 LYS 51 HZ3 LYS 51 -4.520 1.680 -8.987 262 H PHE 52 H PHE 52 -0.550 4.317 -3.551 263 HA PHE 52 HA PHE 52 -1.470 4.672 -0.774 264 HB2 PHE 52 HB1 PHE 52 0.176 6.496 -0.545 265 HB3 PHE 52 HB2 PHE 52 0.947 4.943 -0.878 266 HD1 PHE 52 HD1 PHE 52 1.852 4.449 -3.129 267 HD2 PHE 52 HD2 PHE 52 0.402 8.308 -2.070 268 HE1 PHE 52 HE1 PHE 52 3.039 5.420 -5.054 269 HE2 PHE 52 HE2 PHE 52 1.585 9.285 -3.993 270 HZ PHE 52 HZ PHE 52 2.904 7.840 -5.488 271 H CYS 53 H CYS 53 -2.320 6.815 -0.273 272 HA CYS 53 HA CYS 53 -3.797 7.903 -2.560 273 HB2 CYS 53 HB1 CYS 53 -4.506 7.274 0.122 274 HB3 CYS 53 HB2 CYS 53 -4.651 9.022 -0.067 275 H LEU 54 H LEU 54 -2.859 9.595 -3.493 276 HA LEU 54 HA LEU 54 -1.251 11.435 -1.887 277 HB2 LEU 54 HB1 LEU 54 -0.170 10.646 -3.866 278 HB3 LEU 54 HB2 LEU 54 -1.577 11.067 -4.857 279 HG LEU 54 HG LEU 54 -0.762 13.470 -3.674 280 HD11 LEU 54 HD11 LEU 54 1.358 12.654 -3.040 281 HD12 LEU 54 HD12 LEU 54 1.613 13.554 -4.534 282 HD13 LEU 54 HD13 LEU 54 1.568 11.792 -4.564 283 HD21 LEU 54 HD21 LEU 54 -0.099 12.494 -6.444 284 HD22 LEU 54 HD22 LEU 54 -0.372 14.155 -5.917 285 HD23 LEU 54 HD23 LEU 54 -1.713 13.008 -5.951 286 H GLN 55 H GLN 55 -2.018 13.328 -1.233 287 HA GLN 55 HA GLN 55 -4.469 14.354 -2.497 288 HB2 GLN 55 HB1 GLN 55 -4.907 13.902 -0.216 289 HB3 GLN 55 HB2 GLN 55 -3.378 14.634 0.297 290 HG2 GLN 55 HG1 GLN 55 -4.267 16.667 0.443 291 HG3 GLN 55 HG2 GLN 55 -5.063 16.511 -1.129 292 HE21 GLN 55 HE21 GLN 55 -6.847 17.628 -0.184 293 HE22 GLN 55 HE22 GLN 55 -7.989 16.778 0.795 294 HA PRO 56 HA PRO 56 -1.297 17.364 -3.854 295 HB2 PRO 56 HB1 PRO 56 -2.585 17.989 -6.189 296 HB3 PRO 56 HB2 PRO 56 -1.523 16.592 -6.006 297 HG2 PRO 56 HG1 PRO 56 -4.513 16.740 -5.846 298 HG3 PRO 56 HG2 PRO 56 -3.476 15.543 -6.706 299 HD2 PRO 56 HD1 PRO 56 -4.645 15.015 -4.314 300 HD3 PRO 56 HD2 PRO 56 -3.062 14.361 -4.771 301 H ARG 57 H ARG 57 -1.370 19.623 -3.941 302 HA ARG 57 HA ARG 57 -3.641 20.805 -2.604 303 HB2 ARG 57 HB1 ARG 57 -0.843 21.438 -2.995 304 HB3 ARG 57 HB2 ARG 57 -1.864 22.841 -3.343 305 HG2 ARG 57 HG1 ARG 57 -2.490 23.115 -1.193 306 HG3 ARG 57 HG2 ARG 57 -2.505 21.372 -0.872 307 HD2 ARG 57 HD1 ARG 57 -0.449 21.431 -0.001 308 HD3 ARG 57 HD2 ARG 57 0.174 22.282 -1.420 309 HE ARG 57 HE ARG 57 0.134 24.209 -0.208 310 HH11 ARG 57 HH11 ARG 57 -2.066 21.940 1.253 311 HH12 ARG 57 HH12 ARG 57 -2.431 22.963 2.602 312 HH21 ARG 57 HH21 ARG 57 -0.338 25.565 1.565 313 HH22 ARG 57 HH22 ARG 57 -1.448 25.025 2.779 314 H ASP 58 H ASP 58 -2.013 21.139 -5.736 315 HA ASP 58 HA ASP 58 -3.861 23.108 -6.699 316 HB2 ASP 58 HB1 ASP 58 -1.441 21.766 -7.668 317 HB3 ASP 58 HB2 ASP 58 -2.640 22.050 -8.937 318 HD2 ASP 58 HD ASP 58 -2.394 25.573 -8.378 319 H GLU 59 H GLU 59 -3.754 19.665 -6.599 320 HA GLU 59 HA GLU 59 -6.107 19.543 -8.370 321 HB2 GLU 59 HB1 GLU 59 -3.836 17.611 -7.957 322 HB3 GLU 59 HB2 GLU 59 -5.398 17.066 -8.589 323 HG2 GLU 59 HG1 GLU 59 -4.243 19.421 -9.933 324 HG3 GLU 59 HG2 GLU 59 -3.352 17.904 -10.127 325 HE2 GLU 59 HE GLU 59 -6.961 18.163 -11.759 326 H LYS 60 H LYS 60 -7.253 17.261 -7.861 327 HA LYS 60 HA LYS 60 -8.087 17.498 -5.078 328 HB2 LYS 60 HB1 LYS 60 -9.281 16.498 -7.588 329 HB3 LYS 60 HB2 LYS 60 -9.702 15.579 -6.134 330 HG2 LYS 60 HG1 LYS 60 -10.222 17.935 -5.129 331 HG3 LYS 60 HG2 LYS 60 -10.334 18.406 -6.834 332 HD2 LYS 60 HD1 LYS 60 -12.215 17.165 -7.213 333 HD3 LYS 60 HD2 LYS 60 -11.774 15.947 -6.002 334 HE2 LYS 60 HE1 LYS 60 -12.397 17.430 -4.194 335 HE3 LYS 60 HE2 LYS 60 -12.695 18.742 -5.343 336 HZ1 LYS 60 HZ1 LYS 60 -14.347 17.007 -6.354 337 HZ2 LYS 60 HZ2 LYS 60 -14.800 17.966 -5.038 338 HZ3 LYS 60 HZ3 LYS 60 -14.315 16.365 -4.789 339 HA PRO 61 HA PRO 61 -6.180 13.837 -3.595 340 HB2 PRO 61 HB1 PRO 61 -8.113 12.778 -1.969 341 HB3 PRO 61 HB2 PRO 61 -7.200 14.234 -1.574 342 HG2 PRO 61 HG1 PRO 61 -9.927 13.968 -2.794 343 HG3 PRO 61 HG2 PRO 61 -9.372 15.057 -1.470 344 HD2 PRO 61 HD1 PRO 61 -9.709 15.912 -4.024 345 HD3 PRO 61 HD2 PRO 61 -8.450 16.558 -2.956 346 H PHE 62 H PHE 62 -5.768 11.981 -4.601 347 HA PHE 62 HA PHE 62 -7.955 10.212 -5.357 348 HB2 PHE 62 HB1 PHE 62 -7.285 9.965 -7.636 349 HB3 PHE 62 HB2 PHE 62 -7.459 11.694 -7.329 350 HD1 PHE 62 HD1 PHE 62 -5.245 9.108 -8.417 351 HD2 PHE 62 HD2 PHE 62 -5.387 13.066 -6.861 352 HE1 PHE 62 HE1 PHE 62 -2.951 9.499 -9.215 353 HE2 PHE 62 HE2 PHE 62 -3.093 13.465 -7.657 354 HZ PHE 62 HZ PHE 62 -1.872 11.680 -8.836 355 H CYS 63 H CYS 63 -6.993 8.109 -6.306 356 HA CYS 63 HA CYS 63 -4.944 7.227 -4.448 357 HB2 CYS 63 HB1 CYS 63 -7.050 5.924 -4.863 358 HB3 CYS 63 HB2 CYS 63 -6.460 5.598 -6.494 359 H ALA 64 H ALA 64 -2.866 7.073 -4.948 360 HA ALA 64 HA ALA 64 -2.087 7.180 -7.779 361 HB1 ALA 64 HB1 ALA 64 0.223 7.663 -6.598 362 HB2 ALA 64 HB2 ALA 64 -0.979 8.934 -6.823 363 HB3 ALA 64 HB3 ALA 64 -0.827 8.133 -5.261 364 H THR 65 H THR 65 -0.233 5.902 -8.463 365 HA THR 65 HA THR 65 -0.252 3.264 -7.180 366 HB THR 65 HB THR 65 -0.834 3.361 -9.585 367 HG1 THR 65 HG1 THR 65 0.044 1.444 -9.641 368 HG21 THR 65 HG21 THR 65 0.590 5.247 -10.229 369 HG22 THR 65 HG22 THR 65 0.916 3.834 -11.233 370 HG23 THR 65 HG23 THR 65 2.026 4.269 -9.933 371 H CYS 66 H CYS 66 1.892 2.034 -7.464 372 HA CYS 66 HA CYS 66 3.877 3.387 -5.968 373 HB2 CYS 66 HB1 CYS 66 3.626 1.005 -5.739 374 HB3 CYS 66 HB2 CYS 66 3.931 0.759 -7.460 375 H ARG 67 H ARG 67 5.728 4.389 -6.554 376 HA ARG 67 HA ARG 67 6.070 4.969 -9.391 377 HB2 ARG 67 HB1 ARG 67 7.276 6.155 -6.887 378 HB3 ARG 67 HB2 ARG 67 7.770 6.630 -8.518 379 HG2 ARG 67 HG1 ARG 67 6.020 7.979 -8.774 380 HG3 ARG 67 HG2 ARG 67 4.896 6.740 -8.195 381 HD2 ARG 67 HD1 ARG 67 4.796 7.626 -6.135 382 HD3 ARG 67 HD2 ARG 67 6.552 7.837 -6.067 383 HE ARG 67 HE ARG 67 6.268 10.023 -6.658 384 HH11 ARG 67 HH11 ARG 67 3.387 8.255 -7.486 385 HH12 ARG 67 HH12 ARG 67 2.493 9.668 -7.941 386 HH21 ARG 67 HH21 ARG 67 5.103 11.891 -7.255 387 HH22 ARG 67 HH22 ARG 67 3.471 11.736 -7.810 388 H GLY 68 H GLY 68 8.644 5.427 -9.783 389 HA2 GLY 68 HA2 GLY 68 9.822 2.759 -9.522 390 HA3 GLY 68 HA3 GLY 68 10.331 4.010 -10.646 391 HA1 GLY 68 HA1 GLY 68 9.646 3.225 -8.794 392 H LEU 69 H LEU 69 12.490 3.368 -9.863 393 HA LEU 69 HA LEU 69 13.178 4.206 -7.170 394 HB2 LEU 69 HB1 LEU 69 14.837 3.066 -9.425 395 HB3 LEU 69 HB2 LEU 69 15.465 3.467 -7.816 396 HG LEU 69 HG LEU 69 13.457 1.322 -8.497 397 HD11 LEU 69 HD11 LEU 69 15.713 0.440 -7.005 398 HD12 LEU 69 HD12 LEU 69 16.282 1.353 -8.401 399 HD13 LEU 69 HD13 LEU 69 15.209 -0.026 -8.629 400 HD21 LEU 69 HD21 LEU 69 14.223 2.577 -5.912 401 HD22 LEU 69 HD22 LEU 69 13.953 0.834 -5.952 402 HD23 LEU 69 HD23 LEU 69 12.668 1.938 -6.444 403 H ARG 70 H ARG 70 13.283 5.437 -10.395 404 HA ARG 70 HA ARG 70 15.251 7.471 -9.825 405 HB2 ARG 70 HB1 ARG 70 13.391 7.184 -12.196 406 HB3 ARG 70 HB2 ARG 70 14.793 8.260 -12.090 407 HG2 ARG 70 HG1 ARG 70 15.777 6.570 -13.228 408 HG3 ARG 70 HG2 ARG 70 16.026 5.959 -11.584 409 HD2 ARG 70 HD1 ARG 70 14.438 4.318 -11.789 410 HD3 ARG 70 HD2 ARG 70 13.482 5.256 -12.943 411 HE ARG 70 HE ARG 70 16.016 4.400 -13.991 412 HH11 ARG 70 HH11 ARG 70 12.691 3.512 -13.463 413 HH12 ARG 70 HH12 ARG 70 12.662 2.348 -14.747 414 HH21 ARG 70 HH21 ARG 70 15.991 2.870 -15.683 415 HH22 ARG 70 HH22 ARG 70 14.540 1.983 -16.008 416 H ARG 71 H ARG 71 11.810 7.129 -9.686 417 HA ARG 71 HA ARG 71 10.982 9.781 -9.895 418 HB2 ARG 71 HB1 ARG 71 9.875 7.273 -8.986 419 HB3 ARG 71 HB2 ARG 71 9.366 8.595 -7.925 420 HG2 ARG 71 HG1 ARG 71 7.751 8.226 -9.715 421 HG3 ARG 71 HG2 ARG 71 8.500 9.828 -9.835 422 HD2 ARG 71 HD1 ARG 71 9.950 9.104 -11.609 423 HD3 ARG 71 HD2 ARG 71 9.436 7.425 -11.393 424 HE ARG 71 HE ARG 71 7.154 8.898 -11.959 425 HH11 ARG 71 HH11 ARG 71 10.154 8.066 -13.517 426 HH12 ARG 71 HH12 ARG 71 9.492 8.131 -15.117 427 HH21 ARG 71 HH21 ARG 71 6.270 8.985 -14.061 428 HH22 ARG 71 HH22 ARG 71 7.283 8.654 -15.425 429 H ARG 72 H ARG 72 11.111 11.516 -8.608 430 HA ARG 72 HA ARG 72 12.715 11.361 -6.221 431 HB2 ARG 72 HB1 ARG 72 12.349 13.835 -6.137 432 HB3 ARG 72 HB2 ARG 72 13.059 13.253 -7.650 433 HG2 ARG 72 HG1 ARG 72 10.134 13.382 -7.703 434 HG3 ARG 72 HG2 ARG 72 10.929 14.946 -7.451 435 HD2 ARG 72 HD1 ARG 72 12.473 13.940 -9.436 436 HD3 ARG 72 HD2 ARG 72 10.919 13.186 -9.815 437 HE ARG 72 HE ARG 72 10.260 15.782 -9.431 438 HH11 ARG 72 HH11 ARG 72 12.644 14.181 -11.398 439 HH12 ARG 72 HH12 ARG 72 12.625 15.392 -12.638 440 HH21 ARG 72 HH21 ARG 72 10.225 17.383 -11.055 441 HH22 ARG 72 HH22 ARG 72 11.248 17.213 -12.440 442 H CYS 73 H CYS 73 12.066 11.524 -4.138 443 HA CYS 73 HA CYS 73 9.208 11.974 -3.613 444 HB2 CYS 73 HB1 CYS 73 9.118 10.167 -2.045 445 HB3 CYS 73 HB2 CYS 73 9.776 9.532 -3.554 446 H GLN 74 H GLN 74 8.748 12.578 -1.361 447 HA GLN 74 HA GLN 74 11.006 14.052 -0.173 448 HB2 GLN 74 HB1 GLN 74 8.168 14.779 -0.664 449 HB3 GLN 74 HB2 GLN 74 8.887 15.343 0.854 450 HG2 GLN 74 HG1 GLN 74 10.807 16.232 -0.604 451 HG3 GLN 74 HG2 GLN 74 9.683 16.006 -1.953 452 HE21 GLN 74 HE21 GLN 74 8.910 17.907 -2.516 453 HE22 GLN 74 HE22 GLN 74 8.316 19.123 -1.443 454 H ARG 75 H ARG 75 8.409 11.823 0.360 455 HA ARG 75 HA ARG 75 9.421 11.317 3.050 456 HB2 ARG 75 HB1 ARG 75 7.058 11.173 3.914 457 HB3 ARG 75 HB2 ARG 75 7.631 12.807 3.548 458 HG2 ARG 75 HG1 ARG 75 6.359 11.646 1.234 459 HG3 ARG 75 HG2 ARG 75 5.290 11.592 2.645 460 HD2 ARG 75 HD1 ARG 75 6.250 14.103 2.896 461 HD3 ARG 75 HD2 ARG 75 6.327 13.909 1.139 462 HE ARG 75 HE ARG 75 3.805 13.105 2.234 463 HH11 ARG 75 HH11 ARG 75 5.691 15.824 1.150 464 HH12 ARG 75 HH12 ARG 75 4.310 16.799 0.774 465 HH21 ARG 75 HH21 ARG 75 1.978 14.380 1.743 466 HH22 ARG 75 HH22 ARG 75 2.198 15.978 1.114 467 H ASP 76 H ASP 76 8.960 9.223 3.838 468 HA ASP 76 HA ASP 76 9.030 7.172 1.965 469 HB2 ASP 76 HB1 ASP 76 9.813 6.866 4.251 470 HB3 ASP 76 HB2 ASP 76 8.166 7.067 4.862 471 HD2 ASP 76 HD ASP 76 8.156 3.609 4.751 472 H ALA 77 H ALA 77 6.327 8.850 3.331 473 HA ALA 77 HA ALA 77 4.343 6.894 2.724 474 HB1 ALA 77 HB1 ALA 77 2.830 8.360 3.595 475 HB2 ALA 77 HB2 ALA 77 4.304 9.002 4.322 476 HB3 ALA 77 HB3 ALA 77 3.622 9.770 2.889 477 H MET 78 H MET 78 5.790 9.570 0.986 478 HA MET 78 HA MET 78 3.893 9.763 -1.092 479 HB2 MET 78 HB1 MET 78 6.658 10.696 -0.604 480 HB3 MET 78 HB2 MET 78 6.185 10.554 -2.303 481 HG2 MET 78 HG1 MET 78 4.026 11.849 -1.298 482 HG3 MET 78 HG2 MET 78 5.309 12.464 -0.253 483 HE1 MET 78 HE1 MET 78 4.108 11.796 -3.750 484 HE2 MET 78 HE2 MET 78 4.883 13.007 -4.770 485 HE3 MET 78 HE3 MET 78 5.778 11.570 -4.272 486 H CYS 79 H CYS 79 6.650 7.666 -0.575 487 HA CYS 79 HA CYS 79 6.337 6.495 -3.237 488 HB2 CYS 79 HB1 CYS 79 8.594 7.114 -1.996 489 HB3 CYS 79 HB2 CYS 79 8.368 5.520 -1.273 490 H CYS 80 H CYS 80 5.803 4.354 -3.581 491 HA CYS 80 HA CYS 80 3.914 3.169 -1.959 492 HB2 CYS 80 HB1 CYS 80 4.454 1.042 -3.215 493 HB3 CYS 80 HB2 CYS 80 4.078 2.444 -4.216 494 HA PRO 81 HA PRO 81 5.983 1.198 1.370 495 HB2 PRO 81 HB1 PRO 81 4.464 -1.058 1.700 496 HB3 PRO 81 HB2 PRO 81 3.911 0.560 2.131 497 HG2 PRO 81 HG1 PRO 81 3.384 -1.031 -0.357 498 HG3 PRO 81 HG2 PRO 81 2.233 -0.078 0.651 499 HD2 PRO 81 HD1 PRO 81 3.249 0.852 -1.688 500 HD3 PRO 81 HD2 PRO 81 2.881 1.911 -0.317 501 H GLY 82 H GLY 82 7.941 0.305 1.199 502 HA2 GLY 82 HA2 GLY 82 8.795 -2.135 1.005 503 HA3 GLY 82 HA3 GLY 82 8.330 -1.925 -0.676 504 HA1 GLY 82 HA1 GLY 82 8.973 -1.307 1.253 505 H THR 83 H THR 83 9.181 1.007 -0.325 506 HA THR 83 HA THR 83 12.068 0.517 -0.669 507 HB THR 83 HB THR 83 11.955 2.683 -2.065 508 HG1 THR 83 HG1 THR 83 9.240 1.879 -2.340 509 HG21 THR 83 HG21 THR 83 10.543 0.897 -3.779 510 HG22 THR 83 HG22 THR 83 11.587 -0.052 -2.720 511 HG23 THR 83 HG23 THR 83 12.275 1.227 -3.720 512 H LEU 84 H LEU 84 13.335 2.671 -0.417 513 HA LEU 84 HA LEU 84 12.325 4.081 1.965 514 HB2 LEU 84 HB1 LEU 84 14.321 2.371 2.139 515 HB3 LEU 84 HB2 LEU 84 15.248 3.736 1.492 516 HG LEU 84 HG LEU 84 14.258 5.071 3.463 517 HD11 LEU 84 HD11 LEU 84 12.568 3.474 4.134 518 HD12 LEU 84 HD12 LEU 84 13.739 3.697 5.433 519 HD13 LEU 84 HD13 LEU 84 13.804 2.251 4.427 520 HD21 LEU 84 HD21 LEU 84 16.055 4.305 4.938 521 HD22 LEU 84 HD22 LEU 84 16.608 4.466 3.271 522 HD23 LEU 84 HD23 LEU 84 16.264 2.868 3.937 523 H CYS 85 H CYS 85 12.390 6.253 1.934 524 HA CYS 85 HA CYS 85 13.053 7.573 -0.528 525 HB2 CYS 85 HB1 CYS 85 11.708 8.266 2.008 526 HB3 CYS 85 HB2 CYS 85 12.566 9.600 1.233 527 H VAL 86 H VAL 86 15.215 7.588 -0.919 528 HA VAL 86 HA VAL 86 16.937 8.833 1.125 529 HB VAL 86 HB VAL 86 17.751 6.939 -1.084 530 HG11 VAL 86 HG11 VAL 86 19.275 8.579 0.873 531 HG12 VAL 86 HG12 VAL 86 19.882 6.971 0.475 532 HG13 VAL 86 HG13 VAL 86 19.655 8.171 -0.799 533 HG21 VAL 86 HG21 VAL 86 18.287 6.093 1.633 534 HG22 VAL 86 HG22 VAL 86 16.564 6.352 1.357 535 HG23 VAL 86 HG23 VAL 86 17.464 5.238 0.328 536 H ASN 87 H ASN 87 18.118 10.596 0.596 537 HA ASN 87 HA ASN 87 18.680 12.498 -0.525 538 HB2 ASN 87 HB1 ASN 87 19.829 10.411 -1.818 539 HB3 ASN 87 HB2 ASN 87 18.883 11.113 -3.134 540 HD21 ASN 87 HD21 ASN 87 21.442 11.686 -0.837 541 HD22 ASN 87 HD22 ASN 87 22.124 13.055 -1.640 542 H ASP 88 H ASP 88 15.881 11.916 -0.365 543 HA ASP 88 HA ASP 88 13.901 12.730 -1.132 544 HB2 ASP 88 HB1 ASP 88 15.376 14.369 -3.182 545 HB3 ASP 88 HB2 ASP 88 13.894 14.762 -2.298 546 HD2 ASP 88 HD ASP 88 17.325 15.775 -0.727 547 H VAL 89 H VAL 89 15.078 10.361 -2.316 548 HA VAL 89 HA VAL 89 13.432 10.260 -4.718 549 HB VAL 89 HB VAL 89 16.332 9.408 -4.768 550 HG11 VAL 89 HG11 VAL 89 14.918 7.952 -6.100 551 HG12 VAL 89 HG12 VAL 89 14.209 9.350 -6.911 552 HG13 VAL 89 HG13 VAL 89 15.913 8.962 -7.147 553 HG21 VAL 89 HG21 VAL 89 14.955 11.693 -6.178 554 HG22 VAL 89 HG22 VAL 89 16.096 11.839 -4.840 555 HG23 VAL 89 HG23 VAL 89 16.637 11.207 -6.396 556 H CYS 90 H CYS 90 12.676 8.208 -5.218 557 HA CYS 90 HA CYS 90 12.436 6.393 -3.078 558 HB2 CYS 90 HB1 CYS 90 11.805 6.167 -6.023 559 HB3 CYS 90 HB2 CYS 90 11.466 4.866 -4.881 560 H THR 91 H THR 91 14.143 5.322 -2.301 561 HA THR 91 HA THR 91 15.914 3.957 -4.223 562 HB THR 91 HB THR 91 16.578 4.939 -1.441 563 HG1 THR 91 HG1 THR 91 17.398 5.795 -4.034 564 HG21 THR 91 HG21 THR 91 17.877 3.017 -1.691 565 HG22 THR 91 HG22 THR 91 18.943 4.300 -2.264 566 HG23 THR 91 HG23 THR 91 18.096 3.275 -3.421 567 H THR 92 H THR 92 15.827 1.815 -4.216 568 HA THR 92 HA THR 92 14.126 0.284 -2.676 569 HB THR 92 HB THR 92 16.183 -1.481 -3.275 570 HG1 THR 92 HG1 THR 92 16.696 -0.789 -5.478 571 HG21 THR 92 HG21 THR 92 14.250 -2.319 -4.054 572 HG22 THR 92 HG22 THR 92 14.645 -1.467 -5.547 573 HG23 THR 92 HG23 THR 92 13.576 -0.719 -4.361 574 H MET 93 H MET 93 14.454 -1.189 -0.951 575 HA MET 93 HA MET 93 16.092 -0.161 1.143 576 HB2 MET 93 HB1 MET 93 13.827 -1.706 1.026 577 HB3 MET 93 HB2 MET 93 15.060 -2.885 1.502 578 HG2 MET 93 HG1 MET 93 15.632 -1.643 3.453 579 HG3 MET 93 HG2 MET 93 14.655 -0.271 2.923 580 HE1 MET 93 HE1 MET 93 13.857 -0.538 5.586 581 HE2 MET 93 HE2 MET 93 12.927 -1.923 6.155 582 HE3 MET 93 HE3 MET 93 14.638 -2.109 5.772 583 H GLU 94 H GLU 94 16.341 -2.861 -1.092 584 HA GLU 94 HA GLU 94 18.505 -4.167 0.182 585 HB2 GLU 94 HB1 GLU 94 17.713 -4.194 -2.741 586 HB3 GLU 94 HB2 GLU 94 18.788 -5.355 -1.944 587 HG2 GLU 94 HG1 GLU 94 16.676 -5.663 -0.363 588 HG3 GLU 94 HG2 GLU 94 15.839 -5.104 -1.819 589 HE2 GLU 94 HE GLU 94 17.036 -7.992 -3.580 590 H ASP 95 H ASP 95 18.291 -1.512 -2.077 591 HA ASP 95 HA ASP 95 21.097 -1.506 -2.709 592 HB2 ASP 95 HB1 ASP 95 19.498 -0.673 -4.344 593 HB3 ASP 95 HB2 ASP 95 18.936 0.554 -3.199 594 HD2 ASP 95 HD ASP 95 22.168 1.279 -5.294 595 H ALA 96 H ALA 96 18.947 0.541 -0.749 596 HA ALA 96 HA ALA 96 20.825 2.370 0.162 597 HB1 ALA 96 HB1 ALA 96 18.139 1.626 0.821 598 HB2 ALA 96 HB2 ALA 96 19.057 1.917 2.299 599 HB3 ALA 96 HB3 ALA 96 18.960 3.168 1.060 600 H THR 97 H THR 97 22.091 2.510 2.031 601 HA THR 97 HA THR 97 22.726 -0.085 3.278 602 HB THR 97 HB THR 97 24.609 2.250 2.897 603 HG1 THR 97 HG1 THR 97 25.574 0.788 1.335 604 HG21 THR 97 HG21 THR 97 26.261 0.281 3.375 605 HG22 THR 97 HG22 THR 97 24.857 -0.455 4.147 606 HG23 THR 97 HG23 THR 97 25.459 1.101 4.714 607 H GLU 98 H GLU 98 23.291 3.371 3.982 608 HA GLU 98 HA GLU 98 22.413 2.842 6.745 609 HB2 GLU 98 HB1 GLU 98 24.782 4.110 5.689 610 HB3 GLU 98 HB2 GLU 98 23.877 5.240 6.709 611 HG2 GLU 98 HG1 GLU 98 23.805 3.107 8.313 612 HG3 GLU 98 HG2 GLU 98 25.300 2.754 7.434 613 HE2 GLU 98 HE GLU 98 26.140 6.204 8.761 614 H ASN 99 H ASN 99 20.970 4.221 7.707 615 HA ASN 99 HA ASN 99 19.458 5.921 5.897 616 HB2 ASN 99 HB1 ASN 99 18.798 5.521 8.804 617 HB3 ASN 99 HB2 ASN 99 17.706 5.815 7.445 618 HD21 ASN 99 HD21 ASN 99 17.830 4.050 5.712 619 HD22 ASN 99 HD22 ASN 99 17.798 2.425 6.297 620 H LEU 100 H LEU 100 20.839 6.260 9.170 621 HA LEU 100 HA LEU 100 20.786 9.160 8.889 622 HB2 LEU 100 HB1 LEU 100 20.819 7.249 11.087 623 HB3 LEU 100 HB2 LEU 100 21.983 8.568 11.311 624 HG LEU 100 HG LEU 100 19.761 8.945 12.379 625 HD11 LEU 100 HD11 LEU 100 19.561 11.203 10.776 626 HD12 LEU 100 HD12 LEU 100 21.255 10.727 10.664 627 HD13 LEU 100 HD13 LEU 100 20.525 11.026 12.242 628 HD21 LEU 100 HD21 LEU 100 17.824 8.922 11.248 629 HD22 LEU 100 HD22 LEU 100 18.720 7.973 10.062 630 HD23 LEU 100 HD23 LEU 100 18.522 9.711 9.834 631 H TYR 101 H TYR 101 22.667 10.459 9.315 632 HA TYR 101 HA TYR 101 25.244 9.103 8.979 633 HB2 TYR 101 HB1 TYR 101 25.903 10.895 7.323 634 HB3 TYR 101 HB2 TYR 101 24.735 9.709 6.736 635 HD1 TYR 101 HD1 TYR 101 22.538 10.339 6.069 636 HD2 TYR 101 HD2 TYR 101 25.098 13.187 7.923 637 HE1 TYR 101 HE1 TYR 101 20.982 12.137 5.440 638 HE2 TYR 101 HE2 TYR 101 23.549 14.993 7.300 639 HH TYR 101 HH TYR 101 20.411 14.333 5.931 640 H PHE 102 H PHE 102 26.890 10.002 10.101 641 HA PHE 102 HA PHE 102 26.252 12.393 11.684 642 HB2 PHE 102 HB1 PHE 102 27.926 9.966 12.168 643 HB3 PHE 102 HB2 PHE 102 28.407 11.475 12.945 644 HD1 PHE 102 HD1 PHE 102 27.644 11.842 15.069 645 HD2 PHE 102 HD2 PHE 102 25.270 9.524 12.405 646 HE1 PHE 102 HE1 PHE 102 25.998 11.474 16.861 647 HE2 PHE 102 HE2 PHE 102 23.620 9.153 14.191 648 HZ PHE 102 HZ PHE 102 23.983 10.130 16.423 649 H GLN 103 H GLN 103 27.169 14.235 11.098 650 HA GLN 103 HA GLN 103 29.940 14.399 10.397 651 HB2 GLN 103 HB1 GLN 103 29.541 15.458 8.165 652 HB3 GLN 103 HB2 GLN 103 29.183 13.725 8.228 653 HG2 GLN 103 HG1 GLN 103 27.088 14.049 7.584 654 HG3 GLN 103 HG2 GLN 103 26.833 15.247 8.861 655 HE21 GLN 103 HE21 GLN 103 26.632 14.831 5.669 656 HE22 GLN 103 HE22 GLN 103 26.913 16.444 5.119 657 H SER 104 H SER 104 28.893 15.566 12.490 658 HA SER 104 HA SER 104 28.524 18.383 11.707 659 HB2 SER 104 HB1 SER 104 27.266 18.641 13.883 660 HB3 SER 104 HB2 SER 104 26.456 17.636 12.667 661 HG SER 104 HG SER 104 26.338 16.395 14.423 662 H LEU 105 H LEU 105 29.329 19.963 13.266 663 HA LEU 105 HA LEU 105 31.516 18.934 14.944 664 HB2 LEU 105 HB1 LEU 105 32.851 20.931 14.278 665 HB3 LEU 105 HB2 LEU 105 32.568 19.760 12.978 666 HG LEU 105 HG LEU 105 30.534 21.449 12.500 667 HD11 LEU 105 HD11 LEU 105 31.146 23.712 12.858 668 HD12 LEU 105 HD12 LEU 105 32.736 23.256 13.468 669 HD13 LEU 105 HD13 LEU 105 31.293 22.890 14.412 670 HD21 LEU 105 HD21 LEU 105 31.877 20.939 10.707 671 HD22 LEU 105 HD22 LEU 105 33.363 21.364 11.558 672 HD23 LEU 105 HD23 LEU 105 32.292 22.634 10.966 673 H GLU 106 H GLU 106 32.201 20.419 16.646 674 HA GLU 106 HA GLU 106 30.483 22.641 17.304 675 HB2 GLU 106 HB1 GLU 106 29.262 20.548 18.071 676 HB3 GLU 106 HB2 GLU 106 30.573 20.331 19.241 677 HG2 GLU 106 HG1 GLU 106 29.796 21.915 20.613 678 HG3 GLU 106 HG2 GLU 106 29.404 23.005 19.276 679 HE2 GLU 106 HE GLU 106 26.091 22.273 19.639 680 H HIS 107 H HIS 107 31.351 23.996 18.879 681 HA HIS 107 HA HIS 107 33.710 23.227 20.347 682 HB2 HIS 107 HB1 HIS 107 35.128 25.033 19.393 683 HB3 HIS 107 HB2 HIS 107 34.761 23.750 18.235 684 HD1 HIS 107 HD1 HIS 107 34.505 27.368 18.700 685 HD2 HIS 107 HD2 HIS 107 32.742 24.487 16.281 686 HE1 HIS 107 HE1 HIS 107 33.422 28.639 16.820 687 HE2 HIS 107 HE2 HIS 107 32.345 26.879 15.341 688 H HIS 108 H HIS 108 34.318 24.764 21.943 689 HA HIS 108 HA HIS 108 32.929 27.248 22.226 690 HB2 HIS 108 HB1 HIS 108 31.151 25.668 22.899 691 HB3 HIS 108 HB2 HIS 108 32.219 25.021 24.148 692 HD1 HIS 108 HD1 HIS 108 30.546 28.305 23.245 693 HD2 HIS 108 HD2 HIS 108 32.095 26.307 26.542 694 HE1 HIS 108 HE1 HIS 108 29.968 29.736 25.231 695 HE2 HIS 108 HE2 HIS 108 30.913 28.515 27.246 696 H HIS 109 H HIS 109 35.267 27.684 22.255 697 HA HIS 109 HA HIS 109 36.320 27.463 24.993 698 HB2 HIS 109 HB1 HIS 109 38.533 27.037 24.205 699 HB3 HIS 109 HB2 HIS 109 37.464 25.878 23.410 700 HD1 HIS 109 HD1 HIS 109 40.219 27.885 22.606 701 HD2 HIS 109 HD2 HIS 109 36.593 27.133 20.724 702 HE1 HIS 109 HE1 HIS 109 40.576 28.494 20.193 703 HE2 HIS 109 HE2 HIS 109 38.359 28.035 19.041 704 H HIS 110 H HIS 110 38.564 28.960 24.792 705 HA HIS 110 HA HIS 110 39.332 31.102 24.826 706 HB2 HIS 110 HB1 HIS 110 38.886 30.744 22.311 707 HB3 HIS 110 HB2 HIS 110 37.451 31.743 22.565 708 HD1 HIS 110 HD1 HIS 110 38.508 33.945 24.352 709 HD2 HIS 110 HD2 HIS 110 40.609 32.461 21.090 710 HE1 HIS 110 HE1 HIS 110 40.108 35.771 23.696 711 HE2 HIS 110 HE2 HIS 110 41.394 34.864 21.702 712 H HIS 111 H HIS 111 38.471 31.663 26.815 713 HA HIS 111 HA HIS 111 35.865 33.024 26.792 714 HB2 HIS 111 HB1 HIS 111 37.441 32.101 29.204 715 HB3 HIS 111 HB2 HIS 111 35.761 32.647 29.170 716 HD1 HIS 111 HD1 HIS 111 34.646 30.975 26.871 717 HD2 HIS 111 HD2 HIS 111 37.148 29.459 29.822 718 HE1 HIS 111 HE1 HIS 111 34.207 28.500 26.919 719 HE2 HIS 111 HE2 HIS 111 35.735 27.573 28.722 720 H HIS 112 H HIS 112 39.005 33.332 28.463 721 HA HIS 112 HA HIS 112 38.920 36.218 27.959 722 HB2 HIS 112 HB1 HIS 112 38.181 35.284 30.382 723 HB3 HIS 112 HB2 HIS 112 39.927 35.398 30.624 724 HD1 HIS 112 HD1 HIS 112 40.871 37.655 31.127 725 HD2 HIS 112 HD2 HIS 112 36.995 37.857 29.647 726 HE1 HIS 112 HE1 HIS 112 40.189 40.066 31.354 727 HE2 HIS 112 HE2 HIS 112 37.819 40.189 30.449 Start of MODEL 41 1 H1 MET 18 H MET 18 -53.706 -30.987 29.608 2 HA MET 18 HA MET 18 -52.539 -29.666 31.057 3 HB2 MET 18 HB1 MET 18 -50.434 -30.595 32.100 4 HB3 MET 18 HB2 MET 18 -51.904 -31.543 32.373 5 HG2 MET 18 HG1 MET 18 -51.215 -33.287 31.058 6 HG3 MET 18 HG2 MET 18 -50.186 -32.255 30.059 7 HE1 MET 18 HE1 MET 18 -47.313 -34.237 31.061 8 HE2 MET 18 HE2 MET 18 -48.470 -33.680 29.851 9 HE3 MET 18 HE3 MET 18 -47.277 -32.561 30.513 10 H LEU 19 H LEU 19 -52.349 -28.566 28.870 11 HA LEU 19 HA LEU 19 -49.523 -27.983 28.406 12 HB2 LEU 19 HB1 LEU 19 -49.892 -27.962 25.951 13 HB3 LEU 19 HB2 LEU 19 -50.001 -29.571 26.689 14 HG LEU 19 HG LEU 19 -52.567 -28.157 26.371 15 HD11 LEU 19 HD11 LEU 19 -52.051 -27.480 24.277 16 HD12 LEU 19 HD12 LEU 19 -52.417 -29.162 23.895 17 HD13 LEU 19 HD13 LEU 19 -50.743 -28.650 24.100 18 HD21 LEU 19 HD21 LEU 19 -51.592 -30.792 26.729 19 HD22 LEU 19 HD22 LEU 19 -52.441 -30.739 25.184 20 HD23 LEU 19 HD23 LEU 19 -53.266 -30.241 26.662 21 H VAL 20 H VAL 20 -50.896 -26.320 29.873 22 HA VAL 20 HA VAL 20 -52.439 -24.386 28.468 23 HB VAL 20 HB VAL 20 -50.988 -24.038 31.093 24 HG11 VAL 20 HG11 VAL 20 -53.521 -22.659 30.709 25 HG12 VAL 20 HG12 VAL 20 -51.969 -22.040 31.281 26 HG13 VAL 20 HG13 VAL 20 -52.288 -22.162 29.551 27 HG21 VAL 20 HG21 VAL 20 -53.383 -25.563 30.365 28 HG22 VAL 20 HG22 VAL 20 -52.339 -25.697 31.780 29 HG23 VAL 20 HG23 VAL 20 -53.598 -24.465 31.729 30 H LEU 21 H LEU 21 -51.778 -22.795 27.191 31 HA LEU 21 HA LEU 21 -48.955 -22.281 26.858 32 HB2 LEU 21 HB1 LEU 21 -49.532 -21.050 24.940 33 HB3 LEU 21 HB2 LEU 21 -50.650 -22.423 24.989 34 HG LEU 21 HG LEU 21 -52.188 -20.623 26.212 35 HD11 LEU 21 HD11 LEU 21 -51.738 -18.529 24.610 36 HD12 LEU 21 HD12 LEU 21 -50.078 -19.075 24.842 37 HD13 LEU 21 HD13 LEU 21 -51.071 -18.658 26.239 38 HD21 LEU 21 HD21 LEU 21 -52.472 -21.961 24.029 39 HD22 LEU 21 HD22 LEU 21 -51.938 -20.483 23.229 40 HD23 LEU 21 HD23 LEU 21 -53.392 -20.470 24.229 41 H ASP 22 H ASP 22 -47.900 -20.328 27.202 42 HA ASP 22 HA ASP 22 -49.361 -18.337 28.806 43 HB2 ASP 22 HB1 ASP 22 -47.029 -19.928 29.524 44 HB3 ASP 22 HB2 ASP 22 -46.710 -18.193 29.652 45 HD2 ASP 22 HD ASP 22 -49.737 -19.414 31.909 46 H PHE 23 H PHE 23 -48.052 -16.234 28.953 47 HA PHE 23 HA PHE 23 -47.230 -14.400 27.889 48 HB2 PHE 23 HB1 PHE 23 -45.658 -16.365 26.205 49 HB3 PHE 23 HB2 PHE 23 -45.271 -14.669 26.503 50 HD1 PHE 23 HD1 PHE 23 -44.875 -13.983 28.973 51 HD2 PHE 23 HD2 PHE 23 -44.687 -17.989 27.546 52 HE1 PHE 23 HE1 PHE 23 -43.514 -14.611 30.924 53 HE2 PHE 23 HE2 PHE 23 -43.327 -18.623 29.496 54 HZ PHE 23 HZ PHE 23 -42.740 -16.933 31.189 55 H ASN 24 H ASN 24 -46.905 -13.409 25.599 56 HA ASN 24 HA ASN 24 -48.348 -14.544 23.429 57 HB2 ASN 24 HB1 ASN 24 -50.165 -12.767 23.415 58 HB3 ASN 24 HB2 ASN 24 -50.336 -14.042 24.627 59 HD21 ASN 24 HD21 ASN 24 -49.404 -10.709 24.116 60 HD22 ASN 24 HD22 ASN 24 -49.622 -10.198 25.752 61 H ASN 25 H ASN 25 -48.871 -12.670 21.771 62 HA ASN 25 HA ASN 25 -48.039 -11.072 20.383 63 HB2 ASN 25 HB1 ASN 25 -48.339 -9.706 22.519 64 HB3 ASN 25 HB2 ASN 25 -46.601 -9.915 22.770 65 HD21 ASN 25 HD21 ASN 25 -49.018 -8.170 21.147 66 HD22 ASN 25 HD22 ASN 25 -47.985 -7.167 20.191 67 H ILE 26 H ILE 26 -46.774 -12.806 19.430 68 HA ILE 26 HA ILE 26 -43.959 -12.925 20.171 69 HB ILE 26 HB ILE 26 -43.810 -14.688 18.423 70 HG12 ILE 26 HG11 ILE 26 -46.820 -14.420 18.283 71 HG13 ILE 26 HG12 ILE 26 -45.719 -13.772 17.056 72 HG21 ILE 26 HG21 ILE 26 -44.201 -16.037 20.139 73 HG22 ILE 26 HG22 ILE 26 -45.149 -14.780 20.930 74 HG23 ILE 26 HG23 ILE 26 -45.934 -15.916 19.833 75 HD11 ILE 26 HD11 ILE 26 -46.847 -16.284 17.061 76 HD12 ILE 26 HD12 ILE 26 -45.487 -15.747 16.073 77 HD13 ILE 26 HD13 ILE 26 -45.194 -16.565 17.607 78 H ARG 27 H ARG 27 -42.495 -13.194 18.068 79 HA ARG 27 HA ARG 27 -41.430 -12.130 16.364 80 HB2 ARG 27 HB1 ARG 27 -44.179 -11.109 15.615 81 HB3 ARG 27 HB2 ARG 27 -42.761 -11.218 14.560 82 HG2 ARG 27 HG1 ARG 27 -42.809 -13.642 14.670 83 HG3 ARG 27 HG2 ARG 27 -44.175 -13.573 15.796 84 HD2 ARG 27 HD1 ARG 27 -45.491 -12.375 14.033 85 HD3 ARG 27 HD2 ARG 27 -44.143 -12.661 12.923 86 HE ARG 27 HE ARG 27 -45.031 -15.085 14.118 87 HH11 ARG 27 HH11 ARG 27 -45.797 -12.753 11.649 88 HH12 ARG 27 HH12 ARG 27 -46.662 -13.886 10.664 89 HH21 ARG 27 HH21 ARG 27 -46.168 -16.587 12.831 90 HH22 ARG 27 HH22 ARG 27 -46.874 -16.065 11.338 91 H SER 28 H SER 28 -41.284 -9.817 15.259 92 HA SER 28 HA SER 28 -42.088 -7.581 16.817 93 HB2 SER 28 HB1 SER 28 -39.765 -8.960 17.727 94 HB3 SER 28 HB2 SER 28 -39.240 -7.420 17.020 95 HG SER 28 HG SER 28 -39.868 -6.586 18.838 96 H SER 29 H SER 29 -40.406 -5.652 16.184 97 HA SER 29 HA SER 29 -40.257 -5.775 13.247 98 HB2 SER 29 HB1 SER 29 -40.292 -3.240 14.890 99 HB3 SER 29 HB2 SER 29 -40.683 -3.449 13.174 100 HG SER 29 HG SER 29 -42.516 -3.229 14.671 101 H ALA 30 H ALA 30 -38.668 -3.658 12.685 102 HA ALA 30 HA ALA 30 -36.141 -4.137 14.105 103 HB1 ALA 30 HB1 ALA 30 -35.592 -5.438 12.335 104 HB2 ALA 30 HB2 ALA 30 -36.729 -4.637 11.250 105 HB3 ALA 30 HB3 ALA 30 -35.183 -3.875 11.625 106 H ASP 31 H ASP 31 -37.227 -2.249 11.280 107 HA ASP 31 HA ASP 31 -37.096 -0.032 10.787 108 HB2 ASP 31 HB1 ASP 31 -37.991 -0.182 13.446 109 HB3 ASP 31 HB2 ASP 31 -36.728 1.056 13.442 110 HD2 ASP 31 HD ASP 31 -39.984 1.773 11.277 111 H LEU 32 H LEU 32 -35.686 2.009 11.222 112 HA LEU 32 HA LEU 32 -33.622 2.955 11.097 113 HB2 LEU 32 HB1 LEU 32 -32.861 0.791 13.065 114 HB3 LEU 32 HB2 LEU 32 -31.962 2.282 12.738 115 HG LEU 32 HG LEU 32 -34.767 2.535 13.694 116 HD11 LEU 32 HD11 LEU 32 -32.533 1.351 15.243 117 HD12 LEU 32 HD12 LEU 32 -34.272 1.085 15.372 118 HD13 LEU 32 HD13 LEU 32 -33.550 2.543 16.052 119 HD21 LEU 32 HD21 LEU 32 -32.744 4.153 14.958 120 HD22 LEU 32 HD22 LEU 32 -34.142 4.645 14.000 121 HD23 LEU 32 HD23 LEU 32 -32.619 4.246 13.201 122 H HIS 33 H HIS 33 -31.091 2.136 10.981 123 HA HIS 33 HA HIS 33 -30.691 -0.289 9.540 124 HB2 HIS 33 HB1 HIS 33 -31.837 1.179 7.833 125 HB3 HIS 33 HB2 HIS 33 -30.428 2.243 7.912 126 HD1 HIS 33 HD1 HIS 33 -31.392 -1.236 6.829 127 HD2 HIS 33 HD2 HIS 33 -28.224 1.428 6.472 128 HE1 HIS 33 HE1 HIS 33 -29.846 -2.256 5.128 129 HE2 HIS 33 HE2 HIS 33 -27.908 -0.630 4.910 130 H GLY 34 H GLY 34 -29.339 3.020 9.581 131 HA2 GLY 34 HA2 GLY 34 -27.217 2.640 11.257 132 HA3 GLY 34 HA3 GLY 34 -26.646 2.025 9.713 133 HA1 GLY 34 HA1 GLY 34 -27.853 3.200 11.010 134 H ALA 35 H ALA 35 -25.105 3.591 9.372 135 HA ALA 35 HA ALA 35 -26.039 6.048 8.244 136 HB1 ALA 35 HB1 ALA 35 -25.926 6.350 10.834 137 HB2 ALA 35 HB2 ALA 35 -24.191 6.490 10.544 138 HB3 ALA 35 HB3 ALA 35 -25.308 7.611 9.765 139 H ARG 36 H ARG 36 -24.687 6.651 6.669 140 HA ARG 36 HA ARG 36 -21.907 5.684 6.773 141 HB2 ARG 36 HB1 ARG 36 -23.982 5.172 4.799 142 HB3 ARG 36 HB2 ARG 36 -22.548 5.910 4.072 143 HG2 ARG 36 HG1 ARG 36 -21.198 4.121 4.524 144 HG3 ARG 36 HG2 ARG 36 -22.156 3.628 5.932 145 HD2 ARG 36 HD1 ARG 36 -23.431 2.251 4.713 146 HD3 ARG 36 HD2 ARG 36 -23.696 3.493 3.481 147 HE ARG 36 HE ARG 36 -21.828 1.340 3.363 148 HH11 ARG 36 HH11 ARG 36 -22.403 4.618 2.340 149 HH12 ARG 36 HH12 ARG 36 -21.393 4.496 0.938 150 HH21 ARG 36 HH21 ARG 36 -20.495 1.167 1.520 151 HH22 ARG 36 HH22 ARG 36 -20.309 2.532 0.472 152 H LYS 37 H LYS 37 -20.340 7.108 6.208 153 HA LYS 37 HA LYS 37 -21.095 9.881 5.970 154 HB2 LYS 37 HB1 LYS 37 -18.597 8.353 6.455 155 HB3 LYS 37 HB2 LYS 37 -18.419 9.939 5.687 156 HG2 LYS 37 HG1 LYS 37 -18.718 11.000 7.610 157 HG3 LYS 37 HG2 LYS 37 -20.215 10.103 7.928 158 HD2 LYS 37 HD1 LYS 37 -19.098 8.372 9.044 159 HD3 LYS 37 HD2 LYS 37 -17.529 8.835 8.361 160 HE2 LYS 37 HE1 LYS 37 -18.784 10.969 9.928 161 HE3 LYS 37 HE2 LYS 37 -18.451 9.503 10.862 162 HZ1 LYS 37 HZ1 LYS 37 -16.644 11.347 10.577 163 HZ2 LYS 37 HZ2 LYS 37 -16.341 10.549 9.117 164 HZ3 LYS 37 HZ3 LYS 37 -16.210 9.711 10.580 165 H GLY 38 H GLY 38 -19.581 11.189 4.360 166 HA2 GLY 38 HA2 GLY 38 -19.699 9.845 1.734 167 HA3 GLY 38 HA3 GLY 38 -20.324 11.472 1.957 168 HA1 GLY 38 HA1 GLY 38 -19.058 9.807 2.337 169 H SER 39 H SER 39 -17.367 9.534 2.230 170 HA SER 39 HA SER 39 -15.853 11.899 1.356 171 HB2 SER 39 HB1 SER 39 -14.396 11.826 3.088 172 HB3 SER 39 HB2 SER 39 -15.700 10.952 3.910 173 HG SER 39 HG SER 39 -13.352 10.039 3.588 174 H GLN 40 H GLN 40 -13.472 11.075 0.832 175 HA GLN 40 HA GLN 40 -13.838 9.002 -1.183 176 HB2 GLN 40 HB1 GLN 40 -11.487 10.840 -0.670 177 HB3 GLN 40 HB2 GLN 40 -11.674 9.759 -2.059 178 HG2 GLN 40 HG1 GLN 40 -13.873 11.680 -1.607 179 HG3 GLN 40 HG2 GLN 40 -12.318 12.360 -2.104 180 HE21 GLN 40 HE21 GLN 40 -15.112 10.696 -3.091 181 HE22 GLN 40 HE22 GLN 40 -14.673 10.455 -4.744 182 H CYS 41 H CYS 41 -11.344 9.806 1.242 183 HA CYS 41 HA CYS 41 -11.158 7.007 1.992 184 HB2 CYS 41 HB1 CYS 41 -8.790 6.802 1.581 185 HB3 CYS 41 HB2 CYS 41 -9.594 7.248 0.076 186 H LEU 42 H LEU 42 -10.329 6.686 4.040 187 HA LEU 42 HA LEU 42 -10.117 9.097 5.669 188 HB2 LEU 42 HB1 LEU 42 -11.322 6.628 6.054 189 HB3 LEU 42 HB2 LEU 42 -9.873 6.564 7.071 190 HG LEU 42 HG LEU 42 -11.856 8.821 7.234 191 HD11 LEU 42 HD11 LEU 42 -11.915 6.767 9.327 192 HD12 LEU 42 HD12 LEU 42 -12.550 6.253 7.764 193 HD13 LEU 42 HD13 LEU 42 -13.233 7.664 8.573 194 HD21 LEU 42 HD21 LEU 42 -9.645 7.801 9.006 195 HD22 LEU 42 HD22 LEU 42 -10.860 8.963 9.539 196 HD23 LEU 42 HD23 LEU 42 -9.767 9.374 8.218 197 H SER 43 H SER 43 -8.187 6.438 4.516 198 HA SER 43 HA SER 43 -5.797 7.745 5.540 199 HB2 SER 43 HB1 SER 43 -6.860 5.695 7.018 200 HB3 SER 43 HB2 SER 43 -5.726 4.833 5.963 201 HG SER 43 HG SER 43 -4.522 5.460 7.677 202 H ASP 44 H ASP 44 -3.792 6.515 4.727 203 HA ASP 44 HA ASP 44 -3.964 6.354 1.903 204 HB2 ASP 44 HB1 ASP 44 -1.660 5.258 3.503 205 HB3 ASP 44 HB2 ASP 44 -1.633 6.039 1.917 206 HD2 ASP 44 HD ASP 44 -1.211 9.134 3.308 207 H THR 45 H THR 45 -4.174 4.007 4.445 208 HA THR 45 HA THR 45 -3.762 1.746 2.683 209 HB THR 45 HB THR 45 -4.971 1.118 5.258 210 HG1 THR 45 HG1 THR 45 -2.626 2.725 5.163 211 HG21 THR 45 HG21 THR 45 -3.612 -0.343 3.643 212 HG22 THR 45 HG22 THR 45 -3.258 -0.482 5.365 213 HG23 THR 45 HG23 THR 45 -2.194 0.457 4.318 214 H ASP 46 H ASP 46 -6.208 3.833 2.954 215 HA ASP 46 HA ASP 46 -8.484 2.171 3.266 216 HB2 ASP 46 HB1 ASP 46 -8.313 4.743 3.437 217 HB3 ASP 46 HB2 ASP 46 -8.466 4.725 1.675 218 HD2 ASP 46 HD ASP 46 -11.673 4.108 3.846 219 H CYS 47 H CYS 47 -6.431 2.958 0.570 220 HA CYS 47 HA CYS 47 -8.234 2.033 -1.455 221 HB2 CYS 47 HB1 CYS 47 -5.673 3.321 -1.336 222 HB3 CYS 47 HB2 CYS 47 -5.558 1.914 -2.394 223 H ASN 48 H ASN 48 -8.361 0.065 -2.425 224 HA ASN 48 HA ASN 48 -7.643 -2.226 -1.000 225 HB2 ASN 48 HB1 ASN 48 -8.931 -1.601 -3.534 226 HB3 ASN 48 HB2 ASN 48 -7.937 -3.059 -3.648 227 HD21 ASN 48 HD21 ASN 48 -8.540 -4.895 -2.598 228 HD22 ASN 48 HD22 ASN 48 -10.044 -5.069 -1.766 229 H THR 49 H THR 49 -6.142 -0.764 -3.867 230 HA THR 49 HA THR 49 -4.084 -2.713 -4.089 231 HB THR 49 HB THR 49 -3.266 -0.193 -5.202 232 HG1 THR 49 HG1 THR 49 -5.062 0.528 -6.086 233 HG21 THR 49 HG21 THR 49 -3.079 -1.424 -7.177 234 HG22 THR 49 HG22 THR 49 -4.402 -2.506 -6.740 235 HG23 THR 49 HG23 THR 49 -2.845 -2.638 -5.921 236 H ARG 50 H ARG 50 -1.704 -1.666 -4.222 237 HA ARG 50 HA ARG 50 -1.152 -0.817 -1.484 238 HB2 ARG 50 HB1 ARG 50 1.181 -1.396 -1.984 239 HB3 ARG 50 HB2 ARG 50 0.085 -2.742 -2.324 240 HG2 ARG 50 HG1 ARG 50 0.233 -1.380 -4.739 241 HG3 ARG 50 HG2 ARG 50 1.883 -1.335 -4.096 242 HD2 ARG 50 HD1 ARG 50 2.173 -3.586 -4.261 243 HD3 ARG 50 HD2 ARG 50 0.474 -3.924 -3.899 244 HE ARG 50 HE ARG 50 0.691 -2.704 -6.437 245 HH11 ARG 50 HH11 ARG 50 1.314 -5.710 -4.793 246 HH12 ARG 50 HH12 ARG 50 1.125 -6.678 -6.216 247 HH21 ARG 50 HH21 ARG 50 0.439 -3.970 -8.319 248 HH22 ARG 50 HH22 ARG 50 0.629 -5.688 -8.222 249 H LYS 51 H LYS 51 -2.286 1.230 -2.772 250 HA LYS 51 HA LYS 51 -0.031 3.014 -3.421 251 HB2 LYS 51 HB1 LYS 51 -2.872 3.332 -4.406 252 HB3 LYS 51 HB2 LYS 51 -1.441 4.239 -4.926 253 HG2 LYS 51 HG1 LYS 51 -0.517 2.300 -6.004 254 HG3 LYS 51 HG2 LYS 51 -1.823 1.284 -5.364 255 HD2 LYS 51 HD1 LYS 51 -3.412 2.895 -6.607 256 HD3 LYS 51 HD2 LYS 51 -1.958 3.407 -7.481 257 HE2 LYS 51 HE1 LYS 51 -1.556 1.108 -8.215 258 HE3 LYS 51 HE2 LYS 51 -2.973 0.571 -7.300 259 HZ1 LYS 51 HZ1 LYS 51 -3.373 0.897 -9.712 260 HZ2 LYS 51 HZ2 LYS 51 -3.099 2.553 -9.504 261 HZ3 LYS 51 HZ3 LYS 51 -4.402 1.807 -8.724 262 H PHE 52 H PHE 52 -0.535 5.353 -2.978 263 HA PHE 52 HA PHE 52 -1.889 5.548 -0.379 264 HB2 PHE 52 HB1 PHE 52 -0.576 7.699 -0.164 265 HB3 PHE 52 HB2 PHE 52 0.387 6.220 -0.200 266 HD1 PHE 52 HD1 PHE 52 1.998 5.830 -1.872 267 HD2 PHE 52 HD2 PHE 52 -0.702 9.099 -2.240 268 HE1 PHE 52 HE1 PHE 52 3.327 6.713 -3.746 269 HE2 PHE 52 HE2 PHE 52 0.621 9.986 -4.115 270 HZ PHE 52 HZ PHE 52 2.638 8.792 -4.870 271 H CYS 53 H CYS 53 -2.946 7.673 0.085 272 HA CYS 53 HA CYS 53 -4.692 8.356 -2.141 273 HB2 CYS 53 HB1 CYS 53 -4.983 8.167 0.680 274 HB3 CYS 53 HB2 CYS 53 -5.291 9.846 0.231 275 H LEU 54 H LEU 54 -3.517 9.680 -3.480 276 HA LEU 54 HA LEU 54 -2.070 11.949 -2.433 277 HB2 LEU 54 HB1 LEU 54 -1.203 10.745 -4.358 278 HB3 LEU 54 HB2 LEU 54 -2.686 11.103 -5.259 279 HG LEU 54 HG LEU 54 -1.721 13.603 -4.531 280 HD11 LEU 54 HD11 LEU 54 0.404 12.726 -3.855 281 HD12 LEU 54 HD12 LEU 54 0.606 13.549 -5.401 282 HD13 LEU 54 HD13 LEU 54 0.544 11.787 -5.341 283 HD21 LEU 54 HD21 LEU 54 -2.771 13.139 -6.628 284 HD22 LEU 54 HD22 LEU 54 -1.484 12.025 -7.088 285 HD23 LEU 54 HD23 LEU 54 -1.151 13.753 -6.956 286 H GLN 55 H GLN 55 -2.916 13.877 -2.033 287 HA GLN 55 HA GLN 55 -5.438 14.606 -3.372 288 HB2 GLN 55 HB1 GLN 55 -5.839 16.056 -1.331 289 HB3 GLN 55 HB2 GLN 55 -5.950 14.306 -1.079 290 HG2 GLN 55 HG1 GLN 55 -4.325 14.315 0.433 291 HG3 GLN 55 HG2 GLN 55 -3.267 15.264 -0.619 292 HE21 GLN 55 HE21 GLN 55 -4.644 15.264 2.302 293 HE22 GLN 55 HE22 GLN 55 -4.783 16.962 2.587 294 HA PRO 56 HA PRO 56 -2.367 17.685 -4.811 295 HB2 PRO 56 HB1 PRO 56 -3.565 18.057 -7.245 296 HB3 PRO 56 HB2 PRO 56 -2.439 16.744 -6.906 297 HG2 PRO 56 HG1 PRO 56 -5.438 16.728 -6.896 298 HG3 PRO 56 HG2 PRO 56 -4.294 15.533 -7.614 299 HD2 PRO 56 HD1 PRO 56 -5.552 15.114 -5.245 300 HD3 PRO 56 HD2 PRO 56 -3.915 14.524 -5.577 301 H ARG 57 H ARG 57 -2.559 19.923 -5.077 302 HA ARG 57 HA ARG 57 -4.963 21.064 -3.948 303 HB2 ARG 57 HB1 ARG 57 -2.391 21.708 -3.627 304 HB3 ARG 57 HB2 ARG 57 -2.770 22.792 -4.974 305 HG2 ARG 57 HG1 ARG 57 -3.431 24.238 -3.411 306 HG3 ARG 57 HG2 ARG 57 -4.877 23.222 -3.288 307 HD2 ARG 57 HD1 ARG 57 -4.174 22.193 -1.348 308 HD3 ARG 57 HD2 ARG 57 -2.465 22.469 -1.711 309 HE ARG 57 HE ARG 57 -4.202 24.197 -0.252 310 HH11 ARG 57 HH11 ARG 57 -1.439 24.133 -2.370 311 HH12 ARG 57 HH12 ARG 57 -0.793 25.631 -1.785 312 HH21 ARG 57 HH21 ARG 57 -3.361 26.170 0.526 313 HH22 ARG 57 HH22 ARG 57 -1.886 26.788 -0.137 314 H ASP 58 H ASP 58 -3.438 20.797 -7.065 315 HA ASP 58 HA ASP 58 -5.198 22.767 -8.275 316 HB2 ASP 58 HB1 ASP 58 -2.985 21.015 -9.352 317 HB3 ASP 58 HB2 ASP 58 -4.005 22.007 -10.401 318 HD2 ASP 58 HD ASP 58 -2.415 24.926 -9.462 319 H GLU 59 H GLU 59 -5.042 19.360 -7.781 320 HA GLU 59 HA GLU 59 -7.388 19.014 -9.533 321 HB2 GLU 59 HB1 GLU 59 -4.994 17.267 -9.089 322 HB3 GLU 59 HB2 GLU 59 -6.548 16.528 -9.510 323 HG2 GLU 59 HG1 GLU 59 -6.127 16.907 -11.644 324 HG3 GLU 59 HG2 GLU 59 -6.176 18.645 -11.311 325 HE2 GLU 59 HE GLU 59 -2.842 18.908 -11.991 326 H LYS 60 H LYS 60 -8.460 16.755 -8.846 327 HA LYS 60 HA LYS 60 -9.285 17.168 -6.091 328 HB2 LYS 60 HB1 LYS 60 -11.004 15.422 -6.638 329 HB3 LYS 60 HB2 LYS 60 -11.066 16.868 -7.659 330 HG2 LYS 60 HG1 LYS 60 -10.549 15.743 -9.537 331 HG3 LYS 60 HG2 LYS 60 -9.401 14.683 -8.699 332 HD2 LYS 60 HD1 LYS 60 -11.006 13.144 -8.125 333 HD3 LYS 60 HD2 LYS 60 -12.302 14.352 -8.117 334 HE2 LYS 60 HE1 LYS 60 -11.313 14.250 -10.767 335 HE3 LYS 60 HE2 LYS 60 -11.499 12.577 -10.217 336 HZ1 LYS 60 HZ1 LYS 60 -13.753 14.035 -9.403 337 HZ2 LYS 60 HZ2 LYS 60 -13.673 12.751 -10.501 338 HZ3 LYS 60 HZ3 LYS 60 -13.495 14.343 -11.048 339 HA PRO 61 HA PRO 61 -7.046 13.848 -4.294 340 HB2 PRO 61 HB1 PRO 61 -8.811 12.971 -2.391 341 HB3 PRO 61 HB2 PRO 61 -7.931 14.496 -2.275 342 HG2 PRO 61 HG1 PRO 61 -10.728 13.983 -3.232 343 HG3 PRO 61 HG2 PRO 61 -10.120 15.263 -2.116 344 HD2 PRO 61 HD1 PRO 61 -10.675 15.740 -4.731 345 HD3 PRO 61 HD2 PRO 61 -9.370 16.565 -3.863 346 H PHE 62 H PHE 62 -6.675 11.746 -4.716 347 HA PHE 62 HA PHE 62 -8.719 9.794 -5.003 348 HB2 PHE 62 HB1 PHE 62 -8.617 9.326 -7.335 349 HB3 PHE 62 HB2 PHE 62 -8.903 11.060 -7.181 350 HD1 PHE 62 HD1 PHE 62 -6.637 12.494 -7.029 351 HD2 PHE 62 HD2 PHE 62 -7.061 8.698 -8.908 352 HE1 PHE 62 HE1 PHE 62 -4.671 12.971 -8.428 353 HE2 PHE 62 HE2 PHE 62 -5.095 9.168 -10.310 354 HZ PHE 62 HZ PHE 62 -3.897 11.306 -10.070 355 H CYS 63 H CYS 63 -7.652 7.754 -6.183 356 HA CYS 63 HA CYS 63 -5.251 7.219 -4.656 357 HB2 CYS 63 HB1 CYS 63 -7.412 5.693 -5.314 358 HB3 CYS 63 HB2 CYS 63 -6.241 5.156 -6.519 359 H ALA 64 H ALA 64 -3.281 7.533 -5.429 360 HA ALA 64 HA ALA 64 -2.860 7.338 -8.341 361 HB1 ALA 64 HB1 ALA 64 -2.510 9.581 -7.975 362 HB2 ALA 64 HB2 ALA 64 -1.850 9.327 -6.359 363 HB3 ALA 64 HB3 ALA 64 -0.878 8.942 -7.779 364 H THR 65 H THR 65 -1.151 6.159 -9.065 365 HA THR 65 HA THR 65 -0.029 4.215 -7.325 366 HB THR 65 HB THR 65 1.537 4.335 -9.683 367 HG1 THR 65 HG1 THR 65 -0.241 4.266 -11.228 368 HG21 THR 65 HG21 THR 65 0.797 2.176 -9.977 369 HG22 THR 65 HG22 THR 65 -0.844 2.552 -9.450 370 HG23 THR 65 HG23 THR 65 0.453 2.404 -8.264 371 H CYS 66 H CYS 66 1.978 4.047 -6.429 372 HA CYS 66 HA CYS 66 3.368 6.351 -5.713 373 HB2 CYS 66 HB1 CYS 66 5.195 4.785 -5.008 374 HB3 CYS 66 HB2 CYS 66 3.599 4.378 -4.377 375 H ARG 67 H ARG 67 5.579 6.973 -6.230 376 HA ARG 67 HA ARG 67 5.977 7.122 -9.061 377 HB2 ARG 67 HB1 ARG 67 7.950 7.966 -6.939 378 HB3 ARG 67 HB2 ARG 67 7.769 8.605 -8.578 379 HG2 ARG 67 HG1 ARG 67 5.302 9.115 -7.551 380 HG3 ARG 67 HG2 ARG 67 6.333 9.299 -6.123 381 HD2 ARG 67 HD1 ARG 67 7.409 11.132 -6.948 382 HD3 ARG 67 HD2 ARG 67 7.287 10.568 -8.620 383 HE ARG 67 HE ARG 67 4.717 11.217 -7.727 384 HH11 ARG 67 HH11 ARG 67 7.743 12.773 -8.460 385 HH12 ARG 67 HH12 ARG 67 7.009 14.276 -8.913 386 HH21 ARG 67 HH21 ARG 67 3.738 13.190 -8.320 387 HH22 ARG 67 HH22 ARG 67 4.731 14.513 -8.832 388 H GLY 68 H GLY 68 8.325 6.786 -9.892 389 HA2 GLY 68 HA2 GLY 68 8.905 3.984 -9.549 390 HA3 GLY 68 HA3 GLY 68 9.706 5.090 -10.654 391 HA1 GLY 68 HA1 GLY 68 8.868 4.458 -8.807 392 H LEU 69 H LEU 69 11.377 3.429 -9.574 393 HA LEU 69 HA LEU 69 12.372 4.153 -7.006 394 HB2 LEU 69 HB1 LEU 69 13.221 2.383 -9.235 395 HB3 LEU 69 HB2 LEU 69 14.477 2.923 -8.106 396 HG LEU 69 HG LEU 69 11.977 1.406 -7.359 397 HD11 LEU 69 HD11 LEU 69 13.228 -0.515 -7.251 398 HD12 LEU 69 HD12 LEU 69 14.752 0.355 -7.080 399 HD13 LEU 69 HD13 LEU 69 13.952 0.279 -8.650 400 HD21 LEU 69 HD21 LEU 69 13.264 1.169 -5.176 401 HD22 LEU 69 HD22 LEU 69 12.528 2.738 -5.506 402 HD23 LEU 69 HD23 LEU 69 14.261 2.508 -5.749 403 H ARG 70 H ARG 70 12.915 5.298 -10.236 404 HA ARG 70 HA ARG 70 15.288 6.798 -9.455 405 HB2 ARG 70 HB1 ARG 70 13.834 6.526 -12.094 406 HB3 ARG 70 HB2 ARG 70 15.273 7.527 -11.853 407 HG2 ARG 70 HG1 ARG 70 15.980 5.025 -10.843 408 HG3 ARG 70 HG2 ARG 70 15.069 4.693 -12.326 409 HD2 ARG 70 HD1 ARG 70 16.688 6.800 -13.069 410 HD3 ARG 70 HD2 ARG 70 17.719 5.863 -11.979 411 HE ARG 70 HE ARG 70 16.873 5.115 -14.607 412 HH11 ARG 70 HH11 ARG 70 17.827 3.891 -11.491 413 HH12 ARG 70 HH12 ARG 70 18.379 2.371 -12.112 414 HH21 ARG 70 HH21 ARG 70 17.596 3.118 -15.437 415 HH22 ARG 70 HH22 ARG 70 18.248 1.932 -14.356 416 H ARG 71 H ARG 71 12.286 7.264 -8.702 417 HA ARG 71 HA ARG 71 12.072 10.060 -9.553 418 HB2 ARG 71 HB1 ARG 71 10.125 8.062 -8.437 419 HB3 ARG 71 HB2 ARG 71 9.776 9.795 -8.358 420 HG2 ARG 71 HG1 ARG 71 10.401 8.313 -10.913 421 HG3 ARG 71 HG2 ARG 71 8.767 8.639 -10.312 422 HD2 ARG 71 HD1 ARG 71 10.002 11.120 -10.193 423 HD3 ARG 71 HD2 ARG 71 10.631 10.400 -11.682 424 HE ARG 71 HE ARG 71 7.947 9.955 -11.819 425 HH11 ARG 71 HH11 ARG 71 9.943 12.772 -11.376 426 HH12 ARG 71 HH12 ARG 71 8.823 13.848 -12.143 427 HH21 ARG 71 HH21 ARG 71 6.463 11.361 -12.832 428 HH22 ARG 71 HH22 ARG 71 6.843 13.045 -12.969 429 H ARG 72 H ARG 72 11.604 11.716 -8.002 430 HA ARG 72 HA ARG 72 13.151 11.423 -5.594 431 HB2 ARG 72 HB1 ARG 72 11.545 13.727 -6.720 432 HB3 ARG 72 HB2 ARG 72 12.493 13.821 -5.228 433 HG2 ARG 72 HG1 ARG 72 14.407 12.918 -6.858 434 HG3 ARG 72 HG2 ARG 72 13.394 13.759 -8.042 435 HD2 ARG 72 HD1 ARG 72 14.369 15.023 -5.474 436 HD3 ARG 72 HD2 ARG 72 15.211 15.155 -7.024 437 HE ARG 72 HE ARG 72 12.459 15.960 -7.157 438 HH11 ARG 72 HH11 ARG 72 15.701 16.980 -6.405 439 HH12 ARG 72 HH12 ARG 72 15.381 18.658 -6.700 440 HH21 ARG 72 HH21 ARG 72 12.025 18.165 -7.548 441 HH22 ARG 72 HH22 ARG 72 13.290 19.330 -7.349 442 H CYS 73 H CYS 73 12.377 11.862 -3.456 443 HA CYS 73 HA CYS 73 9.499 11.700 -3.024 444 HB2 CYS 73 HB1 CYS 73 9.789 9.850 -1.373 445 HB3 CYS 73 HB2 CYS 73 10.085 9.370 -3.044 446 H GLN 74 H GLN 74 8.915 12.061 -0.740 447 HA GLN 74 HA GLN 74 10.898 13.796 0.573 448 HB2 GLN 74 HB1 GLN 74 8.529 14.608 -0.320 449 HB3 GLN 74 HB2 GLN 74 8.000 13.973 1.246 450 HG2 GLN 74 HG1 GLN 74 10.369 15.647 1.475 451 HG3 GLN 74 HG2 GLN 74 8.993 16.495 0.755 452 HE21 GLN 74 HE21 GLN 74 7.796 17.526 2.167 453 HE22 GLN 74 HE22 GLN 74 7.503 17.054 3.803 454 H ARG 75 H ARG 75 8.810 11.060 0.943 455 HA ARG 75 HA ARG 75 9.806 10.719 3.690 456 HB2 ARG 75 HB1 ARG 75 7.055 10.896 2.759 457 HB3 ARG 75 HB2 ARG 75 7.369 9.378 3.613 458 HG2 ARG 75 HG1 ARG 75 7.913 10.450 5.608 459 HG3 ARG 75 HG2 ARG 75 8.200 11.998 4.796 460 HD2 ARG 75 HD1 ARG 75 5.512 11.209 4.261 461 HD3 ARG 75 HD2 ARG 75 5.808 11.044 5.997 462 HE ARG 75 HE ARG 75 5.586 13.476 4.525 463 HH11 ARG 75 HH11 ARG 75 7.122 11.994 7.274 464 HH12 ARG 75 HH12 ARG 75 7.320 13.486 8.133 465 HH21 ARG 75 HH21 ARG 75 5.840 15.447 5.645 466 HH22 ARG 75 HH22 ARG 75 6.589 15.449 7.205 467 H ASP 76 H ASP 76 9.557 8.392 4.429 468 HA ASP 76 HA ASP 76 10.817 6.700 2.489 469 HB2 ASP 76 HB1 ASP 76 9.758 5.689 5.112 470 HB3 ASP 76 HB2 ASP 76 11.230 5.226 4.246 471 HD2 ASP 76 HD ASP 76 13.097 7.586 5.879 472 H ALA 77 H ALA 77 7.697 6.649 4.190 473 HA ALA 77 HA ALA 77 6.767 4.345 2.748 474 HB1 ALA 77 HB1 ALA 77 4.886 6.155 4.178 475 HB2 ALA 77 HB2 ALA 77 4.933 4.393 4.114 476 HB3 ALA 77 HB3 ALA 77 6.088 5.269 5.118 477 H MET 78 H MET 78 6.704 7.772 2.283 478 HA MET 78 HA MET 78 4.469 8.135 0.698 479 HB2 MET 78 HB1 MET 78 7.005 9.516 1.145 480 HB3 MET 78 HB2 MET 78 6.375 9.748 -0.494 481 HG2 MET 78 HG1 MET 78 4.136 10.300 0.709 482 HG3 MET 78 HG2 MET 78 5.173 10.549 2.117 483 HE1 MET 78 HE1 MET 78 6.006 11.400 -1.738 484 HE2 MET 78 HE2 MET 78 4.275 11.587 -1.457 485 HE3 MET 78 HE3 MET 78 5.276 13.005 -1.772 486 H CYS 79 H CYS 79 7.490 6.586 -0.062 487 HA CYS 79 HA CYS 79 6.933 6.512 -2.910 488 HB2 CYS 79 HB1 CYS 79 9.256 6.493 -1.444 489 HB3 CYS 79 HB2 CYS 79 9.087 4.795 -1.888 490 H CYS 80 H CYS 80 7.642 4.105 -3.777 491 HA CYS 80 HA CYS 80 5.377 2.514 -3.362 492 HB2 CYS 80 HB1 CYS 80 8.079 1.934 -4.575 493 HB3 CYS 80 HB2 CYS 80 6.806 0.715 -4.508 494 HA PRO 81 HA PRO 81 6.202 0.115 0.218 495 HB2 PRO 81 HB1 PRO 81 5.108 -2.301 -0.465 496 HB3 PRO 81 HB2 PRO 81 4.150 -0.866 -0.100 497 HG2 PRO 81 HG1 PRO 81 4.986 -1.969 -2.762 498 HG3 PRO 81 HG2 PRO 81 3.373 -1.357 -2.236 499 HD2 PRO 81 HD1 PRO 81 5.080 0.123 -3.742 500 HD3 PRO 81 HD2 PRO 81 3.999 0.840 -2.537 501 H GLY 82 H GLY 82 8.187 -0.515 0.791 502 HA2 GLY 82 HA2 GLY 82 9.759 -2.325 0.979 503 HA3 GLY 82 HA3 GLY 82 9.421 -2.738 -0.695 504 HA1 GLY 82 HA1 GLY 82 9.718 -1.444 0.964 505 H THR 83 H THR 83 9.791 0.597 0.014 506 HA THR 83 HA THR 83 12.588 0.537 -0.898 507 HB THR 83 HB THR 83 12.161 2.542 -2.283 508 HG1 THR 83 HG1 THR 83 9.790 2.809 -2.772 509 HG21 THR 83 HG21 THR 83 12.201 0.611 -3.576 510 HG22 THR 83 HG22 THR 83 10.637 1.312 -3.992 511 HG23 THR 83 HG23 THR 83 10.728 -0.027 -2.849 512 H LEU 84 H LEU 84 13.779 2.537 -0.434 513 HA LEU 84 HA LEU 84 12.699 3.958 1.911 514 HB2 LEU 84 HB1 LEU 84 14.642 2.196 2.170 515 HB3 LEU 84 HB2 LEU 84 15.632 3.545 1.584 516 HG LEU 84 HG LEU 84 14.672 4.905 3.499 517 HD11 LEU 84 HD11 LEU 84 14.151 2.503 5.064 518 HD12 LEU 84 HD12 LEU 84 12.976 2.766 3.775 519 HD13 LEU 84 HD13 LEU 84 13.256 4.022 4.980 520 HD21 LEU 84 HD21 LEU 84 16.918 3.509 3.326 521 HD22 LEU 84 HD22 LEU 84 16.165 2.605 4.640 522 HD23 LEU 84 HD23 LEU 84 16.446 4.339 4.810 523 H CYS 85 H CYS 85 13.032 6.142 2.026 524 HA CYS 85 HA CYS 85 13.728 7.460 -0.443 525 HB2 CYS 85 HB1 CYS 85 11.867 8.061 1.316 526 HB3 CYS 85 HB2 CYS 85 13.181 8.933 2.107 527 H VAL 86 H VAL 86 15.891 7.357 -0.823 528 HA VAL 86 HA VAL 86 17.701 8.333 1.282 529 HB VAL 86 HB VAL 86 18.349 6.749 -1.208 530 HG11 VAL 86 HG11 VAL 86 20.602 6.575 -0.276 531 HG12 VAL 86 HG12 VAL 86 20.164 8.257 -0.579 532 HG13 VAL 86 HG13 VAL 86 20.132 7.617 1.065 533 HG21 VAL 86 HG21 VAL 86 17.227 5.839 1.123 534 HG22 VAL 86 HG22 VAL 86 18.162 4.866 -0.013 535 HG23 VAL 86 HG23 VAL 86 18.949 5.577 1.395 536 H ASN 87 H ASN 87 18.587 10.279 1.075 537 HA ASN 87 HA ASN 87 19.159 12.309 0.222 538 HB2 ASN 87 HB1 ASN 87 20.522 10.449 -1.202 539 HB3 ASN 87 HB2 ASN 87 19.637 11.256 -2.504 540 HD21 ASN 87 HD21 ASN 87 19.862 13.570 -2.708 541 HD22 ASN 87 HD22 ASN 87 21.342 14.323 -2.228 542 H ASP 88 H ASP 88 16.424 11.751 0.180 543 HA ASP 88 HA ASP 88 14.471 12.588 -0.632 544 HB2 ASP 88 HB1 ASP 88 16.492 14.489 -1.358 545 HB3 ASP 88 HB2 ASP 88 15.308 14.382 -2.669 546 HD2 ASP 88 HD ASP 88 12.741 15.575 -0.560 547 H VAL 89 H VAL 89 15.982 10.370 -1.990 548 HA VAL 89 HA VAL 89 14.352 10.333 -4.428 549 HB VAL 89 HB VAL 89 17.243 9.461 -4.359 550 HG11 VAL 89 HG11 VAL 89 15.153 9.468 -6.525 551 HG12 VAL 89 HG12 VAL 89 16.882 9.322 -6.853 552 HG13 VAL 89 HG13 VAL 89 16.059 8.094 -5.890 553 HG21 VAL 89 HG21 VAL 89 17.033 11.438 -6.246 554 HG22 VAL 89 HG22 VAL 89 15.988 12.031 -4.954 555 HG23 VAL 89 HG23 VAL 89 17.675 11.644 -4.617 556 H CYS 90 H CYS 90 13.419 8.403 -4.873 557 HA CYS 90 HA CYS 90 13.186 6.460 -2.881 558 HB2 CYS 90 HB1 CYS 90 11.813 7.023 -5.132 559 HB3 CYS 90 HB2 CYS 90 12.714 5.608 -5.684 560 H THR 91 H THR 91 14.248 4.622 -2.411 561 HA THR 91 HA THR 91 16.089 3.428 -4.304 562 HB THR 91 HB THR 91 17.091 4.530 -1.671 563 HG1 THR 91 HG1 THR 91 18.139 5.129 -4.224 564 HG21 THR 91 HG21 THR 91 18.540 2.920 -3.779 565 HG22 THR 91 HG22 THR 91 18.066 2.336 -2.183 566 HG23 THR 91 HG23 THR 91 19.264 3.623 -2.332 567 H THR 92 H THR 92 15.527 1.360 -4.211 568 HA THR 92 HA THR 92 14.086 0.090 -2.232 569 HB THR 92 HB THR 92 16.012 -1.689 -3.547 570 HG1 THR 92 HG1 THR 92 15.362 -1.238 -5.630 571 HG21 THR 92 HG21 THR 92 13.095 -1.493 -3.052 572 HG22 THR 92 HG22 THR 92 14.191 -2.859 -2.842 573 HG23 THR 92 HG23 THR 92 13.610 -2.433 -4.451 574 H MET 93 H MET 93 14.569 -1.167 -0.456 575 HA MET 93 HA MET 93 16.757 -0.447 1.116 576 HB2 MET 93 HB1 MET 93 14.787 -2.714 1.222 577 HB3 MET 93 HB2 MET 93 16.126 -2.634 2.378 578 HG2 MET 93 HG1 MET 93 15.289 -0.216 2.819 579 HG3 MET 93 HG2 MET 93 13.801 -0.789 2.063 580 HE1 MET 93 HE1 MET 93 14.091 0.495 4.615 581 HE2 MET 93 HE2 MET 93 13.201 -0.434 5.822 582 HE3 MET 93 HE3 MET 93 14.963 -0.384 5.872 583 H GLU 94 H GLU 94 16.336 -3.086 -1.157 584 HA GLU 94 HA GLU 94 18.476 -4.709 -0.465 585 HB2 GLU 94 HB1 GLU 94 17.125 -4.106 -3.081 586 HB3 GLU 94 HB2 GLU 94 18.523 -5.192 -3.016 587 HG2 GLU 94 HG1 GLU 94 15.999 -5.572 -1.410 588 HG3 GLU 94 HG2 GLU 94 16.332 -6.351 -2.961 589 HE2 GLU 94 HE GLU 94 19.031 -8.149 -1.320 590 H ASP 95 H ASP 95 18.423 -1.712 -2.292 591 HA ASP 95 HA ASP 95 21.290 -1.904 -2.819 592 HB2 ASP 95 HB1 ASP 95 19.489 -1.099 -4.515 593 HB3 ASP 95 HB2 ASP 95 19.558 0.419 -3.611 594 HD2 ASP 95 HD ASP 95 22.280 1.355 -5.437 595 H ALA 96 H ALA 96 18.992 -0.172 -0.848 596 HA ALA 96 HA ALA 96 20.788 1.875 0.010 597 HB1 ALA 96 HB1 ALA 96 18.622 1.259 1.856 598 HB2 ALA 96 HB2 ALA 96 18.983 2.752 0.989 599 HB3 ALA 96 HB3 ALA 96 18.076 1.467 0.192 600 H THR 97 H THR 97 20.911 2.075 2.596 601 HA THR 97 HA THR 97 22.050 1.401 4.449 602 HB THR 97 HB THR 97 21.096 -1.397 3.860 603 HG1 THR 97 HG1 THR 97 19.112 -0.787 4.294 604 HG21 THR 97 HG21 THR 97 21.424 -1.830 6.085 605 HG22 THR 97 HG22 THR 97 21.145 -0.157 6.564 606 HG23 THR 97 HG23 THR 97 22.683 -0.620 5.837 607 H GLU 98 H GLU 98 23.972 1.838 3.028 608 HA GLU 98 HA GLU 98 25.411 -0.496 2.087 609 HB2 GLU 98 HB1 GLU 98 25.936 2.468 2.043 610 HB3 GLU 98 HB2 GLU 98 27.207 1.309 1.628 611 HG2 GLU 98 HG1 GLU 98 24.839 0.618 0.192 612 HG3 GLU 98 HG2 GLU 98 25.171 2.342 -0.027 613 HE2 GLU 98 HE GLU 98 27.212 -0.034 -2.185 614 H ASN 99 H ASN 99 25.652 -1.580 4.118 615 HA ASN 99 HA ASN 99 27.452 -0.305 6.044 616 HB2 ASN 99 HB1 ASN 99 25.201 -1.960 6.334 617 HB3 ASN 99 HB2 ASN 99 26.585 -2.964 6.788 618 HD21 ASN 99 HD21 ASN 99 26.079 -3.023 8.947 619 HD22 ASN 99 HD22 ASN 99 26.224 -1.648 9.983 620 H LEU 100 H LEU 100 28.919 -2.104 7.153 621 HA LEU 100 HA LEU 100 30.551 -3.186 4.980 622 HB2 LEU 100 HB1 LEU 100 31.218 -1.736 7.200 623 HB3 LEU 100 HB2 LEU 100 31.561 -3.394 7.725 624 HG LEU 100 HG LEU 100 32.786 -3.309 5.280 625 HD11 LEU 100 HD11 LEU 100 33.713 -1.290 4.812 626 HD12 LEU 100 HD12 LEU 100 33.694 -0.764 6.495 627 HD13 LEU 100 HD13 LEU 100 32.209 -0.731 5.546 628 HD21 LEU 100 HD21 LEU 100 33.745 -2.871 8.083 629 HD22 LEU 100 HD22 LEU 100 34.875 -2.861 6.729 630 HD23 LEU 100 HD23 LEU 100 33.905 -4.298 7.058 631 H TYR 101 H TYR 101 31.818 -5.252 5.717 632 HA TYR 101 HA TYR 101 29.888 -7.147 6.886 633 HB2 TYR 101 HB1 TYR 101 30.580 -7.127 4.261 634 HB3 TYR 101 HB2 TYR 101 31.819 -8.204 4.911 635 HD1 TYR 101 HD1 TYR 101 28.144 -7.731 4.706 636 HD2 TYR 101 HD2 TYR 101 31.337 -10.442 5.451 637 HE1 TYR 101 HE1 TYR 101 26.548 -9.601 4.702 638 HE2 TYR 101 HE2 TYR 101 29.750 -12.321 5.447 639 HH TYR 101 HH TYR 101 27.268 -12.633 5.880 640 H PHE 102 H PHE 102 31.917 -5.781 8.319 641 HA PHE 102 HA PHE 102 33.643 -6.129 9.762 642 HB2 PHE 102 HB1 PHE 102 32.765 -9.020 9.541 643 HB3 PHE 102 HB2 PHE 102 33.719 -8.319 10.848 644 HD1 PHE 102 HD1 PHE 102 32.669 -6.467 12.249 645 HD2 PHE 102 HD2 PHE 102 30.430 -9.009 9.671 646 HE1 PHE 102 HE1 PHE 102 30.615 -5.906 13.483 647 HE2 PHE 102 HE2 PHE 102 28.374 -8.451 10.900 648 HZ PHE 102 HZ PHE 102 28.463 -6.896 12.808 649 H GLN 103 H GLN 103 35.518 -8.021 10.156 650 HA GLN 103 HA GLN 103 36.999 -7.950 7.632 651 HB2 GLN 103 HB1 GLN 103 37.692 -7.720 10.457 652 HB3 GLN 103 HB2 GLN 103 38.736 -8.859 9.592 653 HG2 GLN 103 HG1 GLN 103 39.929 -7.152 8.849 654 HG3 GLN 103 HG2 GLN 103 38.515 -6.622 7.928 655 HE21 GLN 103 HE21 GLN 103 38.175 -4.546 8.206 656 HE22 GLN 103 HE22 GLN 103 38.317 -3.676 9.692 657 H SER 104 H SER 104 36.958 -10.208 10.391 658 HA SER 104 HA SER 104 36.033 -12.435 8.955 659 HB2 SER 104 HB1 SER 104 38.474 -13.574 9.169 660 HB3 SER 104 HB2 SER 104 37.897 -12.786 7.689 661 HG SER 104 HG SER 104 40.055 -12.164 8.727 662 H LEU 105 H LEU 105 38.459 -11.575 11.419 663 HA LEU 105 HA LEU 105 36.894 -12.871 13.467 664 HB2 LEU 105 HB1 LEU 105 38.679 -14.379 14.201 665 HB3 LEU 105 HB2 LEU 105 38.092 -14.773 12.576 666 HG LEU 105 HG LEU 105 40.519 -13.066 12.818 667 HD11 LEU 105 HD11 LEU 105 40.392 -16.004 13.431 668 HD12 LEU 105 HD12 LEU 105 41.151 -14.716 14.365 669 HD13 LEU 105 HD13 LEU 105 41.858 -15.226 12.831 670 HD21 LEU 105 HD21 LEU 105 41.040 -14.777 10.869 671 HD22 LEU 105 HD22 LEU 105 40.026 -13.357 10.611 672 HD23 LEU 105 HD23 LEU 105 39.283 -14.936 10.868 673 H GLU 106 H GLU 106 38.503 -12.945 15.557 674 HA GLU 106 HA GLU 106 40.058 -10.471 15.650 675 HB2 GLU 106 HB1 GLU 106 37.566 -11.052 17.204 676 HB3 GLU 106 HB2 GLU 106 38.857 -10.109 17.964 677 HG2 GLU 106 HG1 GLU 106 37.889 -8.328 17.050 678 HG3 GLU 106 HG2 GLU 106 38.600 -8.888 15.530 679 HE2 GLU 106 HE GLU 106 34.716 -9.536 16.075 680 H HIS 107 H HIS 107 41.910 -10.768 16.697 681 HA HIS 107 HA HIS 107 42.392 -13.264 18.071 682 HB2 HIS 107 HB1 HIS 107 43.993 -11.144 16.857 683 HB3 HIS 107 HB2 HIS 107 44.656 -11.690 18.401 684 HD1 HIS 107 HD1 HIS 107 44.435 -14.606 18.432 685 HD2 HIS 107 HD2 HIS 107 45.231 -12.555 14.907 686 HE1 HIS 107 HE1 HIS 107 45.514 -16.287 16.905 687 HE2 HIS 107 HE2 HIS 107 46.001 -15.036 14.749 688 H HIS 108 H HIS 108 43.981 -12.902 20.098 689 HA HIS 108 HA HIS 108 43.287 -10.768 21.855 690 HB2 HIS 108 HB1 HIS 108 41.616 -13.141 21.847 691 HB3 HIS 108 HB2 HIS 108 42.387 -12.907 23.419 692 HD1 HIS 108 HD1 HIS 108 42.310 -9.860 23.655 693 HD2 HIS 108 HD2 HIS 108 39.113 -12.155 22.323 694 HE1 HIS 108 HE1 HIS 108 40.261 -8.462 24.067 695 HE2 HIS 108 HE2 HIS 108 38.305 -9.864 23.252 696 H HIS 109 H HIS 109 44.279 -11.036 24.010 697 HA HIS 109 HA HIS 109 46.599 -12.847 23.883 698 HB2 HIS 109 HB1 HIS 109 46.492 -10.029 24.168 699 HB3 HIS 109 HB2 HIS 109 47.015 -10.684 25.725 700 HD1 HIS 109 HD1 HIS 109 49.468 -10.763 25.893 701 HD2 HIS 109 HD2 HIS 109 48.177 -11.487 22.011 702 HE1 HIS 109 HE1 HIS 109 51.559 -11.140 24.548 703 HE2 HIS 109 HE2 HIS 109 50.771 -11.582 22.174 704 H HIS 110 H HIS 110 47.561 -12.721 26.385 705 HA HIS 110 HA HIS 110 45.333 -13.454 28.157 706 HB2 HIS 110 HB1 HIS 110 47.395 -15.193 27.093 707 HB3 HIS 110 HB2 HIS 110 47.456 -15.144 28.858 708 HD1 HIS 110 HD1 HIS 110 46.256 -17.370 26.640 709 HD2 HIS 110 HD2 HIS 110 44.295 -15.174 29.572 710 HE1 HIS 110 HE1 HIS 110 44.148 -18.647 27.139 711 HE2 HIS 110 HE2 HIS 110 42.947 -17.307 28.930 712 H HIS 111 H HIS 111 45.503 -11.631 29.407 713 HA HIS 111 HA HIS 111 47.987 -10.614 30.365 714 HB2 HIS 111 HB1 HIS 111 45.444 -9.621 30.179 715 HB3 HIS 111 HB2 HIS 111 45.570 -9.945 31.911 716 HD1 HIS 111 HD1 HIS 111 48.287 -8.601 29.626 717 HD2 HIS 111 HD2 HIS 111 46.039 -7.470 32.931 718 HE1 HIS 111 HE1 HIS 111 49.239 -6.393 30.362 719 HE2 HIS 111 HE2 HIS 111 47.865 -5.699 32.383 720 H HIS 112 H HIS 112 48.365 -10.325 32.770 721 HA HIS 112 HA HIS 112 47.481 -12.615 34.358 722 HB2 HIS 112 HB1 HIS 112 50.321 -11.984 33.596 723 HB3 HIS 112 HB2 HIS 112 49.968 -12.796 35.124 724 HD1 HIS 112 HD1 HIS 112 50.332 -13.433 31.535 725 HD2 HIS 112 HD2 HIS 112 48.688 -15.374 34.819 726 HE1 HIS 112 HE1 HIS 112 50.009 -15.820 30.812 727 HE2 HIS 112 HE2 HIS 112 49.004 -17.008 32.819 Start of MODEL 42 1 H1 MET 18 H MET 18 -2.243 16.047 24.034 2 HA MET 18 HA MET 18 -0.302 16.284 22.605 3 HB2 MET 18 HB1 MET 18 0.302 15.328 25.403 4 HB3 MET 18 HB2 MET 18 1.564 15.919 24.311 5 HG2 MET 18 HG1 MET 18 0.103 18.031 24.083 6 HG3 MET 18 HG2 MET 18 -0.713 17.429 25.528 7 HE1 MET 18 HE1 MET 18 1.558 17.130 28.174 8 HE2 MET 18 HE2 MET 18 0.747 18.696 28.192 9 HE3 MET 18 HE3 MET 18 -0.088 17.276 27.558 10 H LEU 19 H LEU 19 -1.166 14.116 21.429 11 HA LEU 19 HA LEU 19 -0.571 12.211 20.339 12 HB2 LEU 19 HB1 LEU 19 1.622 13.811 20.346 13 HB3 LEU 19 HB2 LEU 19 2.261 12.353 21.125 14 HG LEU 19 HG LEU 19 0.887 11.439 18.863 15 HD11 LEU 19 HD11 LEU 19 2.367 12.800 17.173 16 HD12 LEU 19 HD12 LEU 19 2.230 14.056 18.402 17 HD13 LEU 19 HD13 LEU 19 0.777 13.384 17.663 18 HD21 LEU 19 HD21 LEU 19 3.022 10.647 19.971 19 HD22 LEU 19 HD22 LEU 19 3.851 11.913 19.064 20 HD23 LEU 19 HD23 LEU 19 3.003 10.624 18.208 21 H VAL 20 H VAL 20 -1.304 12.058 23.144 22 HA VAL 20 HA VAL 20 0.367 9.953 24.254 23 HB VAL 20 HB VAL 20 -2.205 11.094 25.354 24 HG11 VAL 20 HG11 VAL 20 -1.972 9.205 26.590 25 HG12 VAL 20 HG12 VAL 20 -0.231 9.106 26.312 26 HG13 VAL 20 HG13 VAL 20 -0.873 10.241 27.501 27 HG21 VAL 20 HG21 VAL 20 -0.029 11.980 26.871 28 HG22 VAL 20 HG22 VAL 20 0.430 12.236 25.187 29 HG23 VAL 20 HG23 VAL 20 -1.059 12.943 25.813 30 H LEU 21 H LEU 21 -0.220 7.831 24.507 31 HA LEU 21 HA LEU 21 -1.865 6.649 22.593 32 HB2 LEU 21 HB1 LEU 21 -1.681 4.592 23.977 33 HB3 LEU 21 HB2 LEU 21 -0.133 5.382 23.631 34 HG LEU 21 HG LEU 21 -0.719 6.472 26.042 35 HD11 LEU 21 HD11 LEU 21 -2.719 5.176 26.379 36 HD12 LEU 21 HD12 LEU 21 -1.472 4.616 27.491 37 HD13 LEU 21 HD13 LEU 21 -1.850 3.678 26.048 38 HD21 LEU 21 HD21 LEU 21 0.907 4.192 25.096 39 HD22 LEU 21 HD22 LEU 21 0.679 4.332 26.840 40 HD23 LEU 21 HD23 LEU 21 1.393 5.666 25.933 41 H ASP 22 H ASP 22 -3.917 5.749 22.655 42 HA ASP 22 HA ASP 22 -5.575 5.671 24.932 43 HB2 ASP 22 HB1 ASP 22 -5.316 8.220 24.322 44 HB3 ASP 22 HB2 ASP 22 -6.503 7.824 23.071 45 HD2 ASP 22 HD ASP 22 -9.051 7.432 25.394 46 H PHE 23 H PHE 23 -5.057 3.793 23.081 47 HA PHE 23 HA PHE 23 -7.672 3.431 21.833 48 HB2 PHE 23 HB1 PHE 23 -6.732 2.731 19.704 49 HB3 PHE 23 HB2 PHE 23 -6.217 4.378 20.074 50 HD1 PHE 23 HD1 PHE 23 -3.929 4.927 20.465 51 HD2 PHE 23 HD2 PHE 23 -5.111 0.883 19.869 52 HE1 PHE 23 HE1 PHE 23 -1.572 4.285 20.174 53 HE2 PHE 23 HE2 PHE 23 -2.755 0.234 19.578 54 HZ PHE 23 HZ PHE 23 -0.982 1.936 19.731 55 H ASN 24 H ASN 24 -8.368 1.338 21.796 56 HA ASN 24 HA ASN 24 -6.567 -0.867 22.213 57 HB2 ASN 24 HB1 ASN 24 -8.239 0.236 24.430 58 HB3 ASN 24 HB2 ASN 24 -8.091 -1.522 24.296 59 HD21 ASN 24 HD21 ASN 24 -5.797 -2.313 23.997 60 HD22 ASN 24 HD22 ASN 24 -4.592 -1.568 24.987 61 H ASN 25 H ASN 25 -7.796 -2.962 22.371 62 HA ASN 25 HA ASN 25 -10.133 -2.808 20.606 63 HB2 ASN 25 HB1 ASN 25 -8.351 -5.163 21.289 64 HB3 ASN 25 HB2 ASN 25 -9.688 -5.189 20.135 65 HD21 ASN 25 HD21 ASN 25 -9.517 -3.306 18.483 66 HD22 ASN 25 HD22 ASN 25 -7.969 -3.138 17.734 67 H ILE 26 H ILE 26 -11.681 -2.305 22.196 68 HA ILE 26 HA ILE 26 -12.262 -4.500 24.077 69 HB ILE 26 HB ILE 26 -13.122 -1.627 24.401 70 HG12 ILE 26 HG11 ILE 26 -11.308 -2.186 26.412 71 HG13 ILE 26 HG12 ILE 26 -10.573 -2.935 24.984 72 HG21 ILE 26 HG21 ILE 26 -12.979 -3.730 26.532 73 HG22 ILE 26 HG22 ILE 26 -13.900 -2.226 26.516 74 HG23 ILE 26 HG23 ILE 26 -14.394 -3.574 25.491 75 HD11 ILE 26 HD11 ILE 26 -10.240 -0.947 23.925 76 HD12 ILE 26 HD12 ILE 26 -11.595 -0.160 24.734 77 HD13 ILE 26 HD13 ILE 26 -10.087 -0.433 25.605 78 H ARG 27 H ARG 27 -13.797 -5.712 23.155 79 HA ARG 27 HA ARG 27 -15.935 -4.448 21.625 80 HB2 ARG 27 HB1 ARG 27 -14.542 -6.839 21.347 81 HB3 ARG 27 HB2 ARG 27 -16.133 -7.332 21.945 82 HG2 ARG 27 HG1 ARG 27 -17.255 -6.422 20.099 83 HG3 ARG 27 HG2 ARG 27 -15.845 -5.459 19.624 84 HD2 ARG 27 HD1 ARG 27 -14.635 -7.681 19.266 85 HD3 ARG 27 HD2 ARG 27 -16.234 -8.429 19.388 86 HE ARG 27 HE ARG 27 -16.382 -6.368 17.504 87 HH11 ARG 27 HH11 ARG 27 -14.862 -9.473 17.920 88 HH12 ARG 27 HH12 ARG 27 -14.821 -9.825 16.224 89 HH21 ARG 27 HH21 ARG 27 -16.334 -6.822 15.269 90 HH22 ARG 27 HH22 ARG 27 -15.657 -8.316 14.717 91 H SER 28 H SER 28 -18.174 -5.463 21.958 92 HA SER 28 HA SER 28 -18.866 -6.428 24.545 93 HB2 SER 28 HB1 SER 28 -18.360 -3.838 24.750 94 HB3 SER 28 HB2 SER 28 -19.991 -3.697 24.071 95 HG SER 28 HG SER 28 -20.081 -3.757 26.334 96 H SER 29 H SER 29 -21.457 -5.794 24.784 97 HA SER 29 HA SER 29 -22.732 -7.388 22.888 98 HB2 SER 29 HB1 SER 29 -23.667 -5.468 24.989 99 HB3 SER 29 HB2 SER 29 -24.842 -6.083 23.813 100 HG SER 29 HG SER 29 -24.926 -7.652 25.249 101 H ALA 30 H ALA 30 -23.282 -3.888 23.302 102 HA ALA 30 HA ALA 30 -24.176 -3.710 20.539 103 HB1 ALA 30 HB1 ALA 30 -25.286 -1.826 21.130 104 HB2 ALA 30 HB2 ALA 30 -25.124 -2.527 22.741 105 HB3 ALA 30 HB3 ALA 30 -24.003 -1.274 22.206 106 H ASP 31 H ASP 31 -23.138 -2.641 18.921 107 HA ASP 31 HA ASP 31 -20.618 -1.276 19.549 108 HB2 ASP 31 HB1 ASP 31 -20.972 -3.749 18.002 109 HB3 ASP 31 HB2 ASP 31 -20.048 -2.501 17.153 110 HD2 ASP 31 HD ASP 31 -18.137 -4.554 19.735 111 H LEU 32 H LEU 32 -20.530 0.662 18.635 112 HA LEU 32 HA LEU 32 -22.569 1.666 16.982 113 HB2 LEU 32 HB1 LEU 32 -19.821 2.667 17.696 114 HB3 LEU 32 HB2 LEU 32 -20.894 3.563 16.608 115 HG LEU 32 HG LEU 32 -21.740 2.800 19.390 116 HD11 LEU 32 HD11 LEU 32 -20.818 4.696 20.306 117 HD12 LEU 32 HD12 LEU 32 -20.667 5.509 18.748 118 HD13 LEU 32 HD13 LEU 32 -19.554 4.209 19.177 119 HD21 LEU 32 HD21 LEU 32 -23.652 3.656 18.641 120 HD22 LEU 32 HD22 LEU 32 -22.895 4.230 17.155 121 HD23 LEU 32 HD23 LEU 32 -22.845 5.225 18.612 122 H HIS 33 H HIS 33 -22.931 0.920 14.991 123 HA HIS 33 HA HIS 33 -20.779 1.096 13.035 124 HB2 HIS 33 HB1 HIS 33 -20.750 -1.244 13.869 125 HB3 HIS 33 HB2 HIS 33 -22.432 -1.418 13.361 126 HD1 HIS 33 HD1 HIS 33 -22.906 -1.815 10.892 127 HD2 HIS 33 HD2 HIS 33 -18.892 -1.115 11.705 128 HE1 HIS 33 HE1 HIS 33 -21.680 -2.388 8.772 129 HE2 HIS 33 HE2 HIS 33 -19.227 -1.960 9.268 130 H GLY 34 H GLY 34 -22.230 2.973 12.607 131 HA2 GLY 34 HA2 GLY 34 -23.997 2.320 10.429 132 HA3 GLY 34 HA3 GLY 34 -24.839 2.952 11.837 133 HA1 GLY 34 HA1 GLY 34 -23.186 2.650 10.534 134 H ALA 35 H ALA 35 -21.935 3.724 9.912 135 HA ALA 35 HA ALA 35 -22.919 6.468 9.650 136 HB1 ALA 35 HB1 ALA 35 -20.461 5.624 11.064 137 HB2 ALA 35 HB2 ALA 35 -20.339 7.042 10.021 138 HB3 ALA 35 HB3 ALA 35 -21.510 7.016 11.339 139 H ARG 36 H ARG 36 -22.453 7.415 7.723 140 HA ARG 36 HA ARG 36 -20.526 6.108 5.944 141 HB2 ARG 36 HB1 ARG 36 -23.408 6.730 5.262 142 HB3 ARG 36 HB2 ARG 36 -22.172 6.317 4.063 143 HG2 ARG 36 HG1 ARG 36 -22.045 4.113 4.727 144 HG3 ARG 36 HG2 ARG 36 -22.669 4.466 6.347 145 HD2 ARG 36 HD1 ARG 36 -24.833 5.177 5.006 146 HD3 ARG 36 HD2 ARG 36 -24.144 4.098 3.785 147 HE ARG 36 HE ARG 36 -24.162 2.819 6.305 148 HH11 ARG 36 HH11 ARG 36 -26.284 3.820 3.732 149 HH12 ARG 36 HH12 ARG 36 -27.456 2.583 4.042 150 HH21 ARG 36 HH21 ARG 36 -25.698 1.185 6.722 151 HH22 ARG 36 HH22 ARG 36 -27.122 1.085 5.744 152 H LYS 37 H LYS 37 -19.571 8.205 6.952 153 HA LYS 37 HA LYS 37 -20.309 10.521 5.293 154 HB2 LYS 37 HB1 LYS 37 -19.273 10.209 8.055 155 HB3 LYS 37 HB2 LYS 37 -18.632 11.575 7.127 156 HG2 LYS 37 HG1 LYS 37 -20.707 12.606 6.939 157 HG3 LYS 37 HG2 LYS 37 -21.581 11.106 7.297 158 HD2 LYS 37 HD1 LYS 37 -21.012 11.193 9.597 159 HD3 LYS 37 HD2 LYS 37 -19.804 12.459 9.313 160 HE2 LYS 37 HE1 LYS 37 -22.541 13.140 8.445 161 HE3 LYS 37 HE2 LYS 37 -22.338 12.908 10.189 162 HZ1 LYS 37 HZ1 LYS 37 -21.816 15.103 9.989 163 HZ2 LYS 37 HZ2 LYS 37 -21.159 14.942 8.439 164 HZ3 LYS 37 HZ3 LYS 37 -20.273 14.440 9.790 165 H GLY 38 H GLY 38 -19.120 10.465 3.476 166 HA2 GLY 38 HA2 GLY 38 -16.277 10.827 3.675 167 HA3 GLY 38 HA3 GLY 38 -16.711 9.266 2.994 168 HA1 GLY 38 HA1 GLY 38 -16.993 11.312 3.497 169 H SER 39 H SER 39 -15.240 11.010 1.505 170 HA SER 39 HA SER 39 -17.189 11.965 -0.491 171 HB2 SER 39 HB1 SER 39 -14.513 13.163 -0.660 172 HB3 SER 39 HB2 SER 39 -16.107 13.937 -0.689 173 HG SER 39 HG SER 39 -14.375 13.838 1.321 174 H GLN 40 H GLN 40 -13.749 11.049 -0.231 175 HA GLN 40 HA GLN 40 -14.101 9.385 -2.629 176 HB2 GLN 40 HB1 GLN 40 -12.596 11.769 -2.476 177 HB3 GLN 40 HB2 GLN 40 -11.429 10.437 -2.511 178 HG2 GLN 40 HG1 GLN 40 -11.653 10.760 -4.743 179 HG3 GLN 40 HG2 GLN 40 -12.970 9.606 -4.486 180 HE21 GLN 40 HE21 GLN 40 -14.004 10.402 -6.350 181 HE22 GLN 40 HE22 GLN 40 -14.871 11.896 -6.326 182 H CYS 41 H CYS 41 -11.559 10.174 -0.249 183 HA CYS 41 HA CYS 41 -11.477 7.377 0.570 184 HB2 CYS 41 HB1 CYS 41 -9.039 7.236 0.291 185 HB3 CYS 41 HB2 CYS 41 -9.860 7.470 -1.253 186 H LEU 42 H LEU 42 -10.590 7.043 2.621 187 HA LEU 42 HA LEU 42 -10.501 9.441 4.274 188 HB2 LEU 42 HB1 LEU 42 -11.227 6.656 4.644 189 HB3 LEU 42 HB2 LEU 42 -10.127 7.226 5.912 190 HG LEU 42 HG LEU 42 -11.776 9.170 6.205 191 HD11 LEU 42 HD11 LEU 42 -14.030 8.813 5.495 192 HD12 LEU 42 HD12 LEU 42 -13.623 7.237 4.819 193 HD13 LEU 42 HD13 LEU 42 -12.986 8.704 4.077 194 HD21 LEU 42 HD21 LEU 42 -13.221 6.755 7.009 195 HD22 LEU 42 HD22 LEU 42 -12.557 8.062 7.989 196 HD23 LEU 42 HD23 LEU 42 -11.511 6.753 7.437 197 H SER 43 H SER 43 -8.415 6.951 3.049 198 HA SER 43 HA SER 43 -6.075 8.394 3.797 199 HB2 SER 43 HB1 SER 43 -7.048 6.713 5.788 200 HB3 SER 43 HB2 SER 43 -5.785 5.752 4.999 201 HG SER 43 HG SER 43 -4.582 7.926 5.211 202 H ASP 44 H ASP 44 -4.083 6.732 3.481 203 HA ASP 44 HA ASP 44 -4.124 6.052 0.751 204 HB2 ASP 44 HB1 ASP 44 -1.934 4.885 1.281 205 HB3 ASP 44 HB2 ASP 44 -2.023 6.596 1.720 206 HD2 ASP 44 HD ASP 44 -2.036 5.830 5.149 207 H THR 45 H THR 45 -4.934 4.266 3.605 208 HA THR 45 HA THR 45 -4.736 1.664 2.421 209 HB THR 45 HB THR 45 -6.019 0.912 4.429 210 HG1 THR 45 HG1 THR 45 -7.253 2.675 4.949 211 HG21 THR 45 HG21 THR 45 -3.838 2.721 5.385 212 HG22 THR 45 HG22 THR 45 -3.456 1.394 4.289 213 HG23 THR 45 HG23 THR 45 -4.201 1.060 5.852 214 H ASP 46 H ASP 46 -7.143 4.147 2.546 215 HA ASP 46 HA ASP 46 -9.418 2.534 2.022 216 HB2 ASP 46 HB1 ASP 46 -9.596 4.810 2.934 217 HB3 ASP 46 HB2 ASP 46 -8.955 5.462 1.420 218 HD2 ASP 46 HD ASP 46 -12.757 4.542 1.605 219 H CYS 47 H CYS 47 -6.911 3.880 0.031 220 HA CYS 47 HA CYS 47 -8.101 3.950 -2.463 221 HB2 CYS 47 HB1 CYS 47 -5.381 3.740 -1.411 222 HB3 CYS 47 HB2 CYS 47 -5.566 2.956 -2.981 223 H ASN 48 H ASN 48 -5.973 1.266 -1.497 224 HA ASN 48 HA ASN 48 -7.928 -0.715 -2.236 225 HB2 ASN 48 HB1 ASN 48 -5.719 0.067 -4.070 226 HB3 ASN 48 HB2 ASN 48 -6.026 -1.665 -3.880 227 HD21 ASN 48 HD21 ASN 48 -6.837 1.030 -5.602 228 HD22 ASN 48 HD22 ASN 48 -8.339 0.497 -6.268 229 H THR 49 H THR 49 -4.373 -0.734 -2.331 230 HA THR 49 HA THR 49 -4.052 -1.864 0.251 231 HB THR 49 HB THR 49 -4.976 -3.879 -0.642 232 HG1 THR 49 HG1 THR 49 -2.232 -4.429 -0.915 233 HG21 THR 49 HG21 THR 49 -4.176 -4.953 -2.660 234 HG22 THR 49 HG22 THR 49 -2.972 -3.684 -2.893 235 HG23 THR 49 HG23 THR 49 -4.689 -3.309 -3.035 236 H ARG 50 H ARG 50 -2.754 -1.547 -3.019 237 HA ARG 50 HA ARG 50 -0.103 -1.043 -1.836 238 HB2 ARG 50 HB1 ARG 50 0.851 -1.817 -4.012 239 HB3 ARG 50 HB2 ARG 50 0.016 -3.081 -3.098 240 HG2 ARG 50 HG1 ARG 50 -2.015 -2.634 -4.530 241 HG3 ARG 50 HG2 ARG 50 -0.961 -1.629 -5.539 242 HD2 ARG 50 HD1 ARG 50 0.341 -4.134 -5.065 243 HD3 ARG 50 HD2 ARG 50 -1.310 -4.435 -5.624 244 HE ARG 50 HE ARG 50 -0.268 -2.506 -7.305 245 HH11 ARG 50 HH11 ARG 50 0.455 -5.795 -6.423 246 HH12 ARG 50 HH12 ARG 50 1.146 -6.193 -7.962 247 HH21 ARG 50 HH21 ARG 50 0.639 -3.019 -9.335 248 HH22 ARG 50 HH22 ARG 50 1.251 -4.613 -9.617 249 H LYS 51 H LYS 51 -2.003 0.980 -2.099 250 HA LYS 51 HA LYS 51 -0.581 2.772 -3.886 251 HB2 LYS 51 HB1 LYS 51 -3.441 1.955 -4.264 252 HB3 LYS 51 HB2 LYS 51 -2.946 3.606 -4.671 253 HG2 LYS 51 HG1 LYS 51 -2.476 2.772 -6.688 254 HG3 LYS 51 HG2 LYS 51 -1.019 2.130 -5.911 255 HD2 LYS 51 HD1 LYS 51 -2.123 0.012 -5.478 256 HD3 LYS 51 HD2 LYS 51 -3.639 0.649 -6.136 257 HE2 LYS 51 HE1 LYS 51 -1.794 1.116 -8.161 258 HE3 LYS 51 HE2 LYS 51 -1.338 -0.468 -7.514 259 HZ1 LYS 51 HZ1 LYS 51 -4.178 -0.020 -7.992 260 HZ2 LYS 51 HZ2 LYS 51 -3.248 -1.415 -8.220 261 HZ3 LYS 51 HZ3 LYS 51 -3.195 -0.166 -9.361 262 H PHE 52 H PHE 52 -1.050 5.020 -3.479 263 HA PHE 52 HA PHE 52 -2.282 5.474 -0.840 264 HB2 PHE 52 HB1 PHE 52 -0.656 7.373 -0.590 265 HB3 PHE 52 HB2 PHE 52 0.081 5.769 -0.590 266 HD1 PHE 52 HD1 PHE 52 1.846 5.289 -2.004 267 HD2 PHE 52 HD2 PHE 52 -0.676 8.606 -2.872 268 HE1 PHE 52 HE1 PHE 52 3.354 5.953 -3.832 269 HE2 PHE 52 HE2 PHE 52 0.828 9.275 -4.702 270 HZ PHE 52 HZ PHE 52 2.845 7.947 -5.183 271 H CYS 53 H CYS 53 -3.449 7.388 -0.538 272 HA CYS 53 HA CYS 53 -4.665 8.418 -2.950 273 HB2 CYS 53 HB1 CYS 53 -5.458 8.066 -0.258 274 HB3 CYS 53 HB2 CYS 53 -5.511 9.801 -0.573 275 H LEU 54 H LEU 54 -3.340 9.794 -4.020 276 HA LEU 54 HA LEU 54 -1.723 11.742 -2.669 277 HB2 LEU 54 HB1 LEU 54 -0.925 10.801 -4.730 278 HB3 LEU 54 HB2 LEU 54 -2.395 11.317 -5.574 279 HG LEU 54 HG LEU 54 -1.354 13.688 -4.619 280 HD11 LEU 54 HD11 LEU 54 0.725 12.732 -3.956 281 HD12 LEU 54 HD12 LEU 54 1.001 13.625 -5.452 282 HD13 LEU 54 HD13 LEU 54 0.881 11.865 -5.485 283 HD21 LEU 54 HD21 LEU 54 -2.126 13.887 -6.728 284 HD22 LEU 54 HD22 LEU 54 -1.564 12.284 -7.202 285 HD23 LEU 54 HD23 LEU 54 -0.431 13.636 -7.148 286 H GLN 55 H GLN 55 -2.424 13.608 -1.892 287 HA GLN 55 HA GLN 55 -4.859 14.792 -3.043 288 HB2 GLN 55 HB1 GLN 55 -5.240 14.310 -0.758 289 HB3 GLN 55 HB2 GLN 55 -3.657 14.947 -0.286 290 HG2 GLN 55 HG1 GLN 55 -4.427 17.021 -0.064 291 HG3 GLN 55 HG2 GLN 55 -5.287 16.945 -1.609 292 HE21 GLN 55 HE21 GLN 55 -7.239 17.716 -1.113 293 HE22 GLN 55 HE22 GLN 55 -8.285 17.067 0.099 294 HA PRO 56 HA PRO 56 -1.578 17.659 -4.450 295 HB2 PRO 56 HB1 PRO 56 -2.911 18.405 -6.723 296 HB3 PRO 56 HB2 PRO 56 -1.919 16.951 -6.609 297 HG2 PRO 56 HG1 PRO 56 -4.891 17.253 -6.335 298 HG3 PRO 56 HG2 PRO 56 -3.950 16.024 -7.260 299 HD2 PRO 56 HD1 PRO 56 -5.062 15.501 -4.840 300 HD3 PRO 56 HD2 PRO 56 -3.533 14.777 -5.367 301 H ARG 57 H ARG 57 -1.520 19.909 -4.439 302 HA ARG 57 HA ARG 57 -3.703 21.180 -3.034 303 HB2 ARG 57 HB1 ARG 57 -2.232 23.098 -2.844 304 HB3 ARG 57 HB2 ARG 57 -1.354 21.621 -2.416 305 HG2 ARG 57 HG1 ARG 57 -0.603 21.657 -4.914 306 HG3 ARG 57 HG2 ARG 57 -1.051 23.367 -4.813 307 HD2 ARG 57 HD1 ARG 57 0.869 23.846 -3.791 308 HD3 ARG 57 HD2 ARG 57 0.470 22.704 -2.500 309 HE ARG 57 HE ARG 57 1.412 21.196 -4.625 310 HH11 ARG 57 HH11 ARG 57 2.602 23.682 -2.498 311 HH12 ARG 57 HH12 ARG 57 4.247 23.139 -2.571 312 HH21 ARG 57 HH21 ARG 57 3.572 20.472 -4.729 313 HH22 ARG 57 HH22 ARG 57 4.797 21.314 -3.841 314 H ASP 58 H ASP 58 -2.233 21.295 -6.227 315 HA ASP 58 HA ASP 58 -3.889 23.497 -7.096 316 HB2 ASP 58 HB1 ASP 58 -1.463 22.511 -7.915 317 HB3 ASP 58 HB2 ASP 58 -2.551 21.899 -9.167 318 HD2 ASP 58 HD ASP 58 -1.771 25.753 -9.067 319 H GLU 59 H GLU 59 -4.053 20.054 -7.047 320 HA GLU 59 HA GLU 59 -6.469 20.155 -8.732 321 HB2 GLU 59 HB1 GLU 59 -4.325 18.055 -8.489 322 HB3 GLU 59 HB2 GLU 59 -5.945 17.649 -9.080 323 HG2 GLU 59 HG1 GLU 59 -5.195 19.904 -10.544 324 HG3 GLU 59 HG2 GLU 59 -3.747 18.890 -10.463 325 HE2 GLU 59 HE GLU 59 -6.832 16.971 -12.040 326 H LYS 60 H LYS 60 -7.724 17.911 -8.252 327 HA LYS 60 HA LYS 60 -8.465 18.126 -5.446 328 HB2 LYS 60 HB1 LYS 60 -10.367 16.632 -6.124 329 HB3 LYS 60 HB2 LYS 60 -10.300 18.182 -6.977 330 HG2 LYS 60 HG1 LYS 60 -10.207 17.173 -8.948 331 HG3 LYS 60 HG2 LYS 60 -8.818 16.200 -8.430 332 HD2 LYS 60 HD1 LYS 60 -10.298 14.505 -8.797 333 HD3 LYS 60 HD2 LYS 60 -10.722 14.881 -7.118 334 HE2 LYS 60 HE1 LYS 60 -12.201 16.632 -8.824 335 HE3 LYS 60 HE2 LYS 60 -12.379 14.975 -9.420 336 HZ1 LYS 60 HZ1 LYS 60 -12.652 14.771 -6.701 337 HZ2 LYS 60 HZ2 LYS 60 -13.899 14.716 -7.843 338 HZ3 LYS 60 HZ3 LYS 60 -13.499 16.181 -7.095 339 HA PRO 61 HA PRO 61 -6.554 14.418 -4.080 340 HB2 PRO 61 HB1 PRO 61 -8.365 13.526 -2.229 341 HB3 PRO 61 HB2 PRO 61 -7.328 14.930 -1.978 342 HG2 PRO 61 HG1 PRO 61 -10.180 14.812 -2.897 343 HG3 PRO 61 HG2 PRO 61 -9.421 15.895 -1.672 344 HD2 PRO 61 HD1 PRO 61 -9.973 16.706 -4.204 345 HD3 PRO 61 HD2 PRO 61 -8.571 17.296 -3.293 346 H PHE 62 H PHE 62 -6.377 12.449 -4.940 347 HA PHE 62 HA PHE 62 -8.724 10.819 -5.431 348 HB2 PHE 62 HB1 PHE 62 -7.958 10.358 -7.809 349 HB3 PHE 62 HB2 PHE 62 -8.706 11.930 -7.523 350 HD1 PHE 62 HD1 PHE 62 -7.702 13.785 -8.419 351 HD2 PHE 62 HD2 PHE 62 -5.304 10.396 -7.480 352 HE1 PHE 62 HE1 PHE 62 -5.733 14.923 -9.358 353 HE2 PHE 62 HE2 PHE 62 -3.331 11.528 -8.417 354 HZ PHE 62 HZ PHE 62 -3.543 13.795 -9.356 355 H CYS 63 H CYS 63 -7.870 8.697 -6.637 356 HA CYS 63 HA CYS 63 -5.709 7.718 -4.938 357 HB2 CYS 63 HB1 CYS 63 -7.946 6.532 -5.180 358 HB3 CYS 63 HB2 CYS 63 -7.435 6.099 -6.814 359 H ALA 64 H ALA 64 -3.703 7.600 -5.669 360 HA ALA 64 HA ALA 64 -3.271 7.401 -8.578 361 HB1 ALA 64 HB1 ALA 64 -2.318 9.423 -8.022 362 HB2 ALA 64 HB2 ALA 64 -1.791 8.862 -6.436 363 HB3 ALA 64 HB3 ALA 64 -0.937 8.333 -7.886 364 H THR 65 H THR 65 -1.274 6.262 -9.229 365 HA THR 65 HA THR 65 -1.110 3.724 -7.888 366 HB THR 65 HB THR 65 0.565 3.181 -9.685 367 HG1 THR 65 HG1 THR 65 1.341 4.786 -10.810 368 HG21 THR 65 HG21 THR 65 -1.088 3.153 -11.502 369 HG22 THR 65 HG22 THR 65 -2.094 4.287 -10.599 370 HG23 THR 65 HG23 THR 65 -1.806 2.665 -9.968 371 H CYS 66 H CYS 66 1.151 2.729 -7.618 372 HA CYS 66 HA CYS 66 2.534 4.253 -5.648 373 HB2 CYS 66 HB1 CYS 66 2.272 1.596 -6.154 374 HB3 CYS 66 HB2 CYS 66 3.892 1.888 -6.791 375 H ARG 67 H ARG 67 5.056 4.255 -5.774 376 HA ARG 67 HA ARG 67 5.773 5.516 -8.335 377 HB2 ARG 67 HB1 ARG 67 7.196 5.905 -5.702 378 HB3 ARG 67 HB2 ARG 67 7.307 6.901 -7.161 379 HG2 ARG 67 HG1 ARG 67 4.602 6.949 -6.474 380 HG3 ARG 67 HG2 ARG 67 5.482 7.099 -4.944 381 HD2 ARG 67 HD1 ARG 67 6.362 9.130 -5.476 382 HD3 ARG 67 HD2 ARG 67 6.481 8.732 -7.196 383 HE ARG 67 HE ARG 67 3.775 8.958 -6.568 384 HH11 ARG 67 HH11 ARG 67 6.615 10.965 -6.703 385 HH12 ARG 67 HH12 ARG 67 5.735 12.412 -7.068 386 HH21 ARG 67 HH21 ARG 67 2.604 10.856 -7.049 387 HH22 ARG 67 HH22 ARG 67 3.453 12.349 -7.264 388 H GLY 68 H GLY 68 8.067 5.316 -8.986 389 HA2 GLY 68 HA2 GLY 68 8.967 2.558 -8.530 390 HA3 GLY 68 HA3 GLY 68 9.421 3.577 -9.889 391 HA1 GLY 68 HA1 GLY 68 8.952 3.136 -7.862 392 H LEU 69 H LEU 69 11.608 2.862 -9.380 393 HA LEU 69 HA LEU 69 12.838 3.656 -6.923 394 HB2 LEU 69 HB1 LEU 69 13.744 2.469 -9.504 395 HB3 LEU 69 HB2 LEU 69 14.953 3.243 -8.463 396 HG LEU 69 HG LEU 69 13.167 0.944 -7.666 397 HD11 LEU 69 HD11 LEU 69 15.218 0.727 -9.349 398 HD12 LEU 69 HD12 LEU 69 14.854 -0.496 -8.133 399 HD13 LEU 69 HD13 LEU 69 16.113 0.701 -7.829 400 HD21 LEU 69 HD21 LEU 69 14.469 2.840 -6.072 401 HD22 LEU 69 HD22 LEU 69 15.475 1.392 -6.012 402 HD23 LEU 69 HD23 LEU 69 13.771 1.303 -5.560 403 H ARG 70 H ARG 70 13.276 4.772 -10.286 404 HA ARG 70 HA ARG 70 14.863 6.996 -9.644 405 HB2 ARG 70 HB1 ARG 70 13.191 6.223 -12.014 406 HB3 ARG 70 HB2 ARG 70 13.915 7.836 -11.934 407 HG2 ARG 70 HG1 ARG 70 15.610 5.402 -11.511 408 HG3 ARG 70 HG2 ARG 70 15.182 5.937 -13.144 409 HD2 ARG 70 HD1 ARG 70 15.978 8.290 -12.057 410 HD3 ARG 70 HD2 ARG 70 17.000 7.151 -11.169 411 HE ARG 70 HE ARG 70 17.057 6.605 -13.955 412 HH11 ARG 70 HH11 ARG 70 18.275 8.796 -11.539 413 HH12 ARG 70 HH12 ARG 70 19.704 9.193 -12.433 414 HH21 ARG 70 HH21 ARG 70 18.935 7.122 -15.142 415 HH22 ARG 70 HH22 ARG 70 20.078 8.242 -14.483 416 H ARG 71 H ARG 71 11.436 6.497 -9.531 417 HA ARG 71 HA ARG 71 10.436 9.063 -9.737 418 HB2 ARG 71 HB1 ARG 71 9.555 6.529 -8.634 419 HB3 ARG 71 HB2 ARG 71 8.971 7.889 -7.665 420 HG2 ARG 71 HG1 ARG 71 7.366 7.224 -9.402 421 HG3 ARG 71 HG2 ARG 71 7.938 8.888 -9.605 422 HD2 ARG 71 HD1 ARG 71 8.761 8.447 -11.634 423 HD3 ARG 71 HD2 ARG 71 9.646 7.044 -11.017 424 HE ARG 71 HE ARG 71 6.901 6.420 -11.292 425 HH11 ARG 71 HH11 ARG 71 9.787 6.961 -13.162 426 HH12 ARG 71 HH12 ARG 71 9.281 5.951 -14.477 427 HH21 ARG 71 HH21 ARG 71 6.224 5.088 -13.016 428 HH22 ARG 71 HH22 ARG 71 7.254 4.888 -14.393 429 H ARG 72 H ARG 72 10.294 10.819 -8.429 430 HA ARG 72 HA ARG 72 12.124 10.951 -6.202 431 HB2 ARG 72 HB1 ARG 72 10.272 13.010 -7.422 432 HB3 ARG 72 HB2 ARG 72 11.416 13.344 -6.114 433 HG2 ARG 72 HG1 ARG 72 12.872 12.081 -8.189 434 HG3 ARG 72 HG2 ARG 72 11.870 13.345 -8.920 435 HD2 ARG 72 HD1 ARG 72 13.424 13.949 -6.430 436 HD3 ARG 72 HD2 ARG 72 14.248 13.916 -7.995 437 HE ARG 72 HE ARG 72 11.897 15.518 -8.090 438 HH11 ARG 72 HH11 ARG 72 15.214 15.493 -7.033 439 HH12 ARG 72 HH12 ARG 72 15.397 17.212 -7.139 440 HH21 ARG 72 HH21 ARG 72 12.125 17.783 -8.233 441 HH22 ARG 72 HH22 ARG 72 13.639 18.515 -7.821 442 H CYS 73 H CYS 73 11.606 11.425 -4.058 443 HA CYS 73 HA CYS 73 8.805 11.444 -3.263 444 HB2 CYS 73 HB1 CYS 73 9.055 9.606 -1.682 445 HB3 CYS 73 HB2 CYS 73 9.382 9.054 -3.325 446 H GLN 74 H GLN 74 8.730 11.550 -0.736 447 HA GLN 74 HA GLN 74 10.927 13.274 0.199 448 HB2 GLN 74 HB1 GLN 74 7.950 13.692 0.408 449 HB3 GLN 74 HB2 GLN 74 9.078 14.479 1.523 450 HG2 GLN 74 HG1 GLN 74 9.741 15.987 0.011 451 HG3 GLN 74 HG2 GLN 74 9.789 14.792 -1.292 452 HE21 GLN 74 HE21 GLN 74 8.894 16.616 -2.519 453 HE22 GLN 74 HE22 GLN 74 7.182 16.844 -2.521 454 H ARG 75 H ARG 75 8.334 11.046 1.053 455 HA ARG 75 HA ARG 75 9.631 10.619 3.664 456 HB2 ARG 75 HB1 ARG 75 6.767 10.108 2.823 457 HB3 ARG 75 HB2 ARG 75 7.445 9.716 4.410 458 HG2 ARG 75 HG1 ARG 75 7.850 12.056 4.874 459 HG3 ARG 75 HG2 ARG 75 7.286 12.491 3.252 460 HD2 ARG 75 HD1 ARG 75 5.074 11.400 3.860 461 HD3 ARG 75 HD2 ARG 75 5.680 11.338 5.521 462 HE ARG 75 HE ARG 75 5.237 13.568 5.717 463 HH11 ARG 75 HH11 ARG 75 5.388 12.750 2.336 464 HH12 ARG 75 HH12 ARG 75 4.874 14.315 1.801 465 HH21 ARG 75 HH21 ARG 75 4.559 15.633 5.025 466 HH22 ARG 75 HH22 ARG 75 4.404 15.955 3.331 467 H ASP 76 H ASP 76 9.340 8.348 4.517 468 HA ASP 76 HA ASP 76 10.400 6.514 2.591 469 HB2 ASP 76 HB1 ASP 76 9.455 5.672 5.316 470 HB3 ASP 76 HB2 ASP 76 10.848 5.099 4.389 471 HD2 ASP 76 HD ASP 76 11.282 8.309 6.647 472 H ALA 77 H ALA 77 7.477 6.445 4.636 473 HA ALA 77 HA ALA 77 6.317 4.178 3.497 474 HB1 ALA 77 HB1 ALA 77 5.454 4.958 5.554 475 HB2 ALA 77 HB2 ALA 77 5.096 6.551 4.885 476 HB3 ALA 77 HB3 ALA 77 4.156 5.147 4.375 477 H MET 78 H MET 78 6.515 7.433 2.335 478 HA MET 78 HA MET 78 4.334 7.514 0.594 479 HB2 MET 78 HB1 MET 78 6.938 8.918 0.816 480 HB3 MET 78 HB2 MET 78 6.132 8.996 -0.756 481 HG2 MET 78 HG1 MET 78 4.584 9.628 1.725 482 HG3 MET 78 HG2 MET 78 5.689 10.823 1.041 483 HE1 MET 78 HE1 MET 78 4.184 11.817 -2.299 484 HE2 MET 78 HE2 MET 78 5.462 12.017 -1.101 485 HE3 MET 78 HE3 MET 78 5.436 10.586 -2.132 486 H CYS 79 H CYS 79 7.353 5.831 0.368 487 HA CYS 79 HA CYS 79 6.899 5.202 -2.456 488 HB2 CYS 79 HB1 CYS 79 9.231 5.396 -0.725 489 HB3 CYS 79 HB2 CYS 79 9.210 3.879 -1.627 490 H CYS 80 H CYS 80 6.917 3.014 -3.197 491 HA CYS 80 HA CYS 80 5.225 1.290 -1.865 492 HB2 CYS 80 HB1 CYS 80 7.011 1.140 -4.186 493 HB3 CYS 80 HB2 CYS 80 6.757 -0.418 -3.396 494 HA PRO 81 HA PRO 81 7.511 -0.854 1.204 495 HB2 PRO 81 HB1 PRO 81 6.562 -3.412 0.974 496 HB3 PRO 81 HB2 PRO 81 5.614 -2.078 1.630 497 HG2 PRO 81 HG1 PRO 81 5.620 -3.223 -1.143 498 HG3 PRO 81 HG2 PRO 81 4.220 -2.771 -0.098 499 HD2 PRO 81 HD1 PRO 81 5.111 -1.194 -2.121 500 HD3 PRO 81 HD2 PRO 81 4.425 -0.536 -0.625 501 H GLY 82 H GLY 82 9.521 -1.651 1.367 502 HA2 GLY 82 HA2 GLY 82 11.091 -3.444 0.841 503 HA3 GLY 82 HA3 GLY 82 10.512 -3.375 -0.817 504 HA1 GLY 82 HA1 GLY 82 11.037 -2.599 1.092 505 H THR 83 H THR 83 10.511 -0.322 -0.465 506 HA THR 83 HA THR 83 13.401 0.027 -0.937 507 HB THR 83 HB THR 83 12.476 2.140 -2.234 508 HG1 THR 83 HG1 THR 83 10.362 2.066 -2.321 509 HG21 THR 83 HG21 THR 83 12.923 -0.662 -3.054 510 HG22 THR 83 HG22 THR 83 13.689 0.821 -3.621 511 HG23 THR 83 HG23 THR 83 12.097 0.365 -4.225 512 H LEU 84 H LEU 84 14.016 2.452 -0.711 513 HA LEU 84 HA LEU 84 12.685 3.596 1.650 514 HB2 LEU 84 HB1 LEU 84 15.502 2.787 1.284 515 HB3 LEU 84 HB2 LEU 84 15.242 4.370 2.036 516 HG LEU 84 HG LEU 84 13.651 3.044 3.627 517 HD11 LEU 84 HD11 LEU 84 14.838 0.944 2.047 518 HD12 LEU 84 HD12 LEU 84 13.537 0.863 3.236 519 HD13 LEU 84 HD13 LEU 84 15.219 0.749 3.758 520 HD21 LEU 84 HD21 LEU 84 16.395 2.299 4.291 521 HD22 LEU 84 HD22 LEU 84 15.264 3.349 5.145 522 HD23 LEU 84 HD23 LEU 84 16.216 3.985 3.804 523 H CYS 85 H CYS 85 13.059 5.899 1.946 524 HA CYS 85 HA CYS 85 13.322 7.259 -0.638 525 HB2 CYS 85 HB1 CYS 85 11.255 7.491 0.883 526 HB3 CYS 85 HB2 CYS 85 12.284 8.500 1.903 527 H VAL 86 H VAL 86 15.403 7.779 -0.977 528 HA VAL 86 HA VAL 86 16.776 9.308 1.136 529 HB VAL 86 HB VAL 86 18.153 7.506 -0.856 530 HG11 VAL 86 HG11 VAL 86 19.758 7.950 1.380 531 HG12 VAL 86 HG12 VAL 86 19.959 8.644 -0.229 532 HG13 VAL 86 HG13 VAL 86 19.051 9.521 1.003 533 HG21 VAL 86 HG21 VAL 86 18.586 6.064 1.167 534 HG22 VAL 86 HG22 VAL 86 17.345 7.000 2.000 535 HG23 VAL 86 HG23 VAL 86 16.927 6.058 0.570 536 H ASN 87 H ASN 87 17.902 11.118 0.515 537 HA ASN 87 HA ASN 87 18.400 12.955 -0.730 538 HB2 ASN 87 HB1 ASN 87 18.686 10.786 -2.814 539 HB3 ASN 87 HB2 ASN 87 19.054 12.481 -3.151 540 HD21 ASN 87 HD21 ASN 87 21.203 11.694 -3.603 541 HD22 ASN 87 HD22 ASN 87 22.314 11.458 -2.301 542 H ASP 88 H ASP 88 15.622 12.204 -0.406 543 HA ASP 88 HA ASP 88 13.570 12.921 -1.078 544 HB2 ASP 88 HB1 ASP 88 15.390 14.889 -1.977 545 HB3 ASP 88 HB2 ASP 88 14.255 14.608 -3.304 546 HD2 ASP 88 HD ASP 88 11.912 16.513 -1.723 547 H VAL 89 H VAL 89 15.019 10.670 -2.411 548 HA VAL 89 HA VAL 89 13.124 10.327 -4.596 549 HB VAL 89 HB VAL 89 15.129 11.281 -5.675 550 HG11 VAL 89 HG11 VAL 89 17.173 9.839 -5.791 551 HG12 VAL 89 HG12 VAL 89 16.872 10.565 -4.211 552 HG13 VAL 89 HG13 VAL 89 16.486 8.867 -4.491 553 HG21 VAL 89 HG21 VAL 89 14.707 8.367 -6.333 554 HG22 VAL 89 HG22 VAL 89 13.672 9.691 -6.868 555 HG23 VAL 89 HG23 VAL 89 15.347 9.605 -7.414 556 H CYS 90 H CYS 90 12.728 8.159 -5.136 557 HA CYS 90 HA CYS 90 13.001 6.315 -3.015 558 HB2 CYS 90 HB1 CYS 90 11.414 6.521 -5.258 559 HB3 CYS 90 HB2 CYS 90 12.445 5.143 -5.646 560 H THR 91 H THR 91 14.253 4.471 -2.805 561 HA THR 91 HA THR 91 16.267 3.863 -4.806 562 HB THR 91 HB THR 91 17.306 5.625 -3.376 563 HG1 THR 91 HG1 THR 91 18.459 3.743 -4.377 564 HG21 THR 91 HG21 THR 91 17.031 3.531 -1.216 565 HG22 THR 91 HG22 THR 91 16.223 5.098 -1.260 566 HG23 THR 91 HG23 THR 91 17.975 5.014 -1.086 567 H THR 92 H THR 92 17.412 1.861 -4.361 568 HA THR 92 HA THR 92 15.695 -0.149 -3.344 569 HB THR 92 HB THR 92 17.631 -1.685 -3.704 570 HG1 THR 92 HG1 THR 92 19.573 -0.894 -4.166 571 HG21 THR 92 HG21 THR 92 17.435 -1.679 -6.018 572 HG22 THR 92 HG22 THR 92 17.397 0.082 -6.110 573 HG23 THR 92 HG23 THR 92 15.991 -0.801 -5.518 574 H MET 93 H MET 93 16.258 -1.715 -1.656 575 HA MET 93 HA MET 93 16.909 -0.398 0.785 576 HB2 MET 93 HB1 MET 93 15.461 -2.617 0.130 577 HB3 MET 93 HB2 MET 93 16.935 -3.343 0.785 578 HG2 MET 93 HG1 MET 93 16.606 -1.753 2.780 579 HG3 MET 93 HG2 MET 93 14.968 -1.549 2.153 580 HE1 MET 93 HE1 MET 93 14.145 -3.715 5.092 581 HE2 MET 93 HE2 MET 93 15.834 -3.242 5.279 582 HE3 MET 93 HE3 MET 93 14.666 -2.100 4.612 583 H GLU 94 H GLU 94 18.686 -2.301 -1.511 584 HA GLU 94 HA GLU 94 20.856 -2.971 0.219 585 HB2 GLU 94 HB1 GLU 94 20.693 -2.877 -2.803 586 HB3 GLU 94 HB2 GLU 94 22.030 -3.579 -1.878 587 HG2 GLU 94 HG1 GLU 94 19.238 -4.554 -1.428 588 HG3 GLU 94 HG2 GLU 94 20.166 -5.113 -2.826 589 HE2 GLU 94 HE GLU 94 20.776 -7.077 0.321 590 H ASP 95 H ASP 95 20.113 -0.296 -1.915 591 HA ASP 95 HA ASP 95 22.752 0.844 -1.770 592 HB2 ASP 95 HB1 ASP 95 20.117 1.721 -2.926 593 HB3 ASP 95 HB2 ASP 95 21.453 2.869 -2.775 594 HD2 ASP 95 HD ASP 95 22.656 -0.120 -5.005 595 H ALA 96 H ALA 96 19.577 1.583 -0.364 596 HA ALA 96 HA ALA 96 20.419 3.844 1.107 597 HB1 ALA 96 HB1 ALA 96 18.171 3.899 1.036 598 HB2 ALA 96 HB2 ALA 96 18.023 2.142 0.994 599 HB3 ALA 96 HB3 ALA 96 18.296 2.968 2.529 600 H THR 97 H THR 97 20.500 3.995 3.479 601 HA THR 97 HA THR 97 21.393 3.441 5.499 602 HB THR 97 HB THR 97 21.022 0.520 4.940 603 HG1 THR 97 HG1 THR 97 18.785 0.866 5.597 604 HG21 THR 97 HG21 THR 97 21.826 0.812 7.088 605 HG22 THR 97 HG22 THR 97 20.084 0.809 7.364 606 HG23 THR 97 HG23 THR 97 20.967 2.335 7.315 607 H GLU 98 H GLU 98 23.155 3.761 3.332 608 HA GLU 98 HA GLU 98 25.121 1.642 3.454 609 HB2 GLU 98 HB1 GLU 98 24.744 2.791 1.340 610 HB3 GLU 98 HB2 GLU 98 25.181 4.336 2.085 611 HG2 GLU 98 HG1 GLU 98 27.456 3.572 2.440 612 HG3 GLU 98 HG2 GLU 98 27.036 1.988 1.776 613 HE2 GLU 98 HE GLU 98 28.377 3.517 -1.075 614 H ASN 99 H ASN 99 26.522 1.486 5.065 615 HA ASN 99 HA ASN 99 27.079 3.760 6.770 616 HB2 ASN 99 HB1 ASN 99 27.932 0.858 6.868 617 HB3 ASN 99 HB2 ASN 99 28.452 2.066 8.050 618 HD21 ASN 99 HD21 ASN 99 26.870 3.067 9.383 619 HD22 ASN 99 HD22 ASN 99 25.379 2.264 9.727 620 H LEU 100 H LEU 100 29.381 4.156 7.448 621 HA LEU 100 HA LEU 100 30.918 4.922 5.221 622 HB2 LEU 100 HB1 LEU 100 31.412 4.776 8.172 623 HB3 LEU 100 HB2 LEU 100 32.748 5.142 7.065 624 HG LEU 100 HG LEU 100 30.664 6.884 6.352 625 HD11 LEU 100 HD11 LEU 100 29.716 7.730 8.216 626 HD12 LEU 100 HD12 LEU 100 31.132 7.410 9.217 627 HD13 LEU 100 HD13 LEU 100 30.011 6.104 8.835 628 HD21 LEU 100 HD21 LEU 100 33.014 7.396 6.183 629 HD22 LEU 100 HD22 LEU 100 33.197 7.309 7.935 630 HD23 LEU 100 HD23 LEU 100 32.230 8.595 7.212 631 H TYR 101 H TYR 101 33.305 4.297 5.029 632 HA TYR 101 HA TYR 101 34.803 2.729 4.335 633 HB2 TYR 101 HB1 TYR 101 33.757 1.094 6.656 634 HB3 TYR 101 HB2 TYR 101 35.350 0.984 5.904 635 HD1 TYR 101 HD1 TYR 101 37.040 2.742 6.262 636 HD2 TYR 101 HD2 TYR 101 33.298 2.816 8.283 637 HE1 TYR 101 HE1 TYR 101 37.945 4.374 7.863 638 HE2 TYR 101 HE2 TYR 101 34.192 4.448 9.891 639 HH TYR 101 HH TYR 101 36.501 6.311 9.530 640 H PHE 102 H PHE 102 34.912 0.054 4.180 641 HA PHE 102 HA PHE 102 32.457 -0.703 2.736 642 HB2 PHE 102 HB1 PHE 102 35.175 -0.495 1.789 643 HB3 PHE 102 HB2 PHE 102 34.614 -2.161 1.651 644 HD1 PHE 102 HD1 PHE 102 34.144 1.257 0.472 645 HD2 PHE 102 HD2 PHE 102 32.766 -2.761 0.201 646 HE1 PHE 102 HE1 PHE 102 32.907 1.823 -1.579 647 HE2 PHE 102 HE2 PHE 102 31.527 -2.202 -1.850 648 HZ PHE 102 HZ PHE 102 31.597 0.092 -2.744 649 H GLN 103 H GLN 103 31.870 -2.905 2.767 650 HA GLN 103 HA GLN 103 32.972 -4.366 5.064 651 HB2 GLN 103 HB1 GLN 103 30.309 -4.529 3.646 652 HB3 GLN 103 HB2 GLN 103 30.829 -5.703 4.865 653 HG2 GLN 103 HG1 GLN 103 29.890 -4.384 6.382 654 HG3 GLN 103 HG2 GLN 103 31.241 -3.276 6.103 655 HE21 GLN 103 HE21 GLN 103 30.953 -1.637 4.430 656 HE22 GLN 103 HE22 GLN 103 29.378 -0.978 4.171 657 H SER 104 H SER 104 34.662 -4.606 3.075 658 HA SER 104 HA SER 104 34.026 -7.162 1.754 659 HB2 SER 104 HB1 SER 104 35.051 -6.457 -0.141 660 HB3 SER 104 HB2 SER 104 34.781 -4.842 0.538 661 HG SER 104 HG SER 104 36.849 -4.655 0.980 662 H LEU 105 H LEU 105 35.366 -8.883 2.003 663 HA LEU 105 HA LEU 105 37.278 -8.748 4.168 664 HB2 LEU 105 HB1 LEU 105 36.227 -10.996 2.456 665 HB3 LEU 105 HB2 LEU 105 37.504 -11.223 3.664 666 HG LEU 105 HG LEU 105 34.904 -10.023 4.507 667 HD11 LEU 105 HD11 LEU 105 33.802 -12.055 4.678 668 HD12 LEU 105 HD12 LEU 105 35.283 -12.992 4.481 669 HD13 LEU 105 HD13 LEU 105 34.574 -12.161 3.096 670 HD21 LEU 105 HD21 LEU 105 35.969 -10.143 6.452 671 HD22 LEU 105 HD22 LEU 105 37.298 -11.055 5.734 672 HD23 LEU 105 HD23 LEU 105 35.869 -11.901 6.333 673 H GLU 106 H GLU 106 39.433 -9.773 3.947 674 HA GLU 106 HA GLU 106 40.596 -9.280 1.285 675 HB2 GLU 106 HB1 GLU 106 41.702 -8.590 4.011 676 HB3 GLU 106 HB2 GLU 106 42.692 -8.612 2.543 677 HG2 GLU 106 HG1 GLU 106 41.378 -6.863 1.547 678 HG3 GLU 106 HG2 GLU 106 40.240 -6.907 2.902 679 HE2 GLU 106 HE GLU 106 43.709 -5.647 4.232 680 H HIS 107 H HIS 107 42.400 -10.570 0.698 681 HA HIS 107 HA HIS 107 43.379 -12.666 2.358 682 HB2 HIS 107 HB1 HIS 107 40.939 -13.210 1.103 683 HB3 HIS 107 HB2 HIS 107 42.149 -14.025 0.108 684 HD1 HIS 107 HD1 HIS 107 41.903 -13.706 3.896 685 HD2 HIS 107 HD2 HIS 107 42.171 -16.598 0.925 686 HE1 HIS 107 HE1 HIS 107 42.044 -15.905 5.108 687 HE2 HIS 107 HE2 HIS 107 42.208 -17.674 3.293 688 H HIS 108 H HIS 108 44.719 -14.257 0.995 689 HA HIS 108 HA HIS 108 46.424 -12.686 -0.702 690 HB2 HIS 108 HB1 HIS 108 47.904 -14.552 -0.701 691 HB3 HIS 108 HB2 HIS 108 47.235 -14.431 0.929 692 HD1 HIS 108 HD1 HIS 108 45.864 -16.376 1.804 693 HD2 HIS 108 HD2 HIS 108 46.905 -16.784 -2.197 694 HE1 HIS 108 HE1 HIS 108 45.256 -18.736 1.189 695 HE2 HIS 108 HE2 HIS 108 45.890 -18.987 -1.257 696 H HIS 109 H HIS 109 47.324 -14.241 -2.665 697 HA HIS 109 HA HIS 109 45.112 -15.340 -4.190 698 HB2 HIS 109 HB1 HIS 109 46.666 -12.910 -5.114 699 HB3 HIS 109 HB2 HIS 109 45.611 -13.872 -6.156 700 HD1 HIS 109 HD1 HIS 109 45.550 -11.057 -3.858 701 HD2 HIS 109 HD2 HIS 109 42.809 -13.825 -5.300 702 HE1 HIS 109 HE1 HIS 109 43.286 -10.081 -3.363 703 HE2 HIS 109 HE2 HIS 109 41.609 -11.772 -4.243 704 H HIS 110 H HIS 110 45.869 -16.269 -6.282 705 HA HIS 110 HA HIS 110 48.633 -17.248 -6.001 706 HB2 HIS 110 HB1 HIS 110 46.114 -18.602 -6.447 707 HB3 HIS 110 HB2 HIS 110 47.246 -18.948 -7.759 708 HD1 HIS 110 HD1 HIS 110 49.863 -19.370 -6.504 709 HD2 HIS 110 HD2 HIS 110 46.359 -20.605 -4.644 710 HE1 HIS 110 HE1 HIS 110 50.558 -21.162 -4.881 711 HE2 HIS 110 HE2 HIS 110 48.417 -21.916 -3.745 712 H HIS 111 H HIS 111 49.644 -17.924 -8.112 713 HA HIS 111 HA HIS 111 48.724 -16.486 -10.458 714 HB2 HIS 111 HB1 HIS 111 50.763 -15.219 -10.774 715 HB3 HIS 111 HB2 HIS 111 50.055 -14.808 -9.210 716 HD1 HIS 111 HD1 HIS 111 51.263 -15.750 -7.066 717 HD2 HIS 111 HD2 HIS 111 53.308 -16.312 -10.637 718 HE1 HIS 111 HE1 HIS 111 53.613 -16.350 -6.406 719 HE2 HIS 111 HE2 HIS 111 54.864 -16.697 -8.589 720 H HIS 112 H HIS 112 50.414 -16.817 -12.293 721 HA HIS 112 HA HIS 112 51.098 -19.663 -12.271 722 HB2 HIS 112 HB1 HIS 112 50.833 -17.678 -14.543 723 HB3 HIS 112 HB2 HIS 112 51.303 -19.368 -14.749 724 HD1 HIS 112 HD1 HIS 112 48.359 -17.207 -14.399 725 HD2 HIS 112 HD2 HIS 112 49.219 -21.261 -14.096 726 HE1 HIS 112 HE1 HIS 112 46.134 -18.375 -14.493 727 HE2 HIS 112 HE2 HIS 112 46.658 -20.853 -14.307 Start of MODEL 43 1 H1 MET 18 H MET 18 -77.435 5.344 12.935 2 HA MET 18 HA MET 18 -76.527 7.933 14.006 3 HB2 MET 18 HB1 MET 18 -75.450 5.326 14.491 4 HB3 MET 18 HB2 MET 18 -74.273 6.266 13.561 5 HG2 MET 18 HG1 MET 18 -73.743 7.555 15.301 6 HG3 MET 18 HG2 MET 18 -75.438 7.794 15.733 7 HE1 MET 18 HE1 MET 18 -73.637 7.292 18.650 8 HE2 MET 18 HE2 MET 18 -72.488 6.046 18.161 9 HE3 MET 18 HE3 MET 18 -72.707 7.483 17.163 10 H LEU 19 H LEU 19 -74.730 8.899 12.752 11 HA LEU 19 HA LEU 19 -74.889 8.173 9.901 12 HB2 LEU 19 HB1 LEU 19 -74.596 10.588 9.394 13 HB3 LEU 19 HB2 LEU 19 -76.122 10.192 10.206 14 HG LEU 19 HG LEU 19 -73.951 11.015 12.009 15 HD11 LEU 19 HD11 LEU 19 -74.627 13.472 11.356 16 HD12 LEU 19 HD12 LEU 19 -74.880 12.742 9.771 17 HD13 LEU 19 HD13 LEU 19 -73.298 12.643 10.544 18 HD21 LEU 19 HD21 LEU 19 -76.655 10.702 12.170 19 HD22 LEU 19 HD22 LEU 19 -76.505 12.448 11.965 20 HD23 LEU 19 HD23 LEU 19 -75.675 11.640 13.297 21 H VAL 20 H VAL 20 -72.958 6.925 11.103 22 HA VAL 20 HA VAL 20 -70.528 8.524 11.165 23 HB VAL 20 HB VAL 20 -70.910 5.562 11.631 24 HG11 VAL 20 HG11 VAL 20 -68.682 5.656 11.145 25 HG12 VAL 20 HG12 VAL 20 -68.530 7.342 11.641 26 HG13 VAL 20 HG13 VAL 20 -68.623 6.068 12.858 27 HG21 VAL 20 HG21 VAL 20 -70.386 7.681 13.698 28 HG22 VAL 20 HG22 VAL 20 -72.015 7.173 13.253 29 HG23 VAL 20 HG23 VAL 20 -70.887 6.009 13.947 30 H LEU 21 H LEU 21 -69.361 8.862 9.402 31 HA LEU 21 HA LEU 21 -69.732 7.156 7.067 32 HB2 LEU 21 HB1 LEU 21 -68.490 9.847 7.541 33 HB3 LEU 21 HB2 LEU 21 -68.150 8.940 6.058 34 HG LEU 21 HG LEU 21 -70.993 9.415 6.813 35 HD11 LEU 21 HD11 LEU 21 -70.756 11.553 5.384 36 HD12 LEU 21 HD12 LEU 21 -69.059 11.490 5.860 37 HD13 LEU 21 HD13 LEU 21 -70.316 11.613 7.091 38 HD21 LEU 21 HD21 LEU 21 -71.394 9.159 4.549 39 HD22 LEU 21 HD22 LEU 21 -70.055 8.044 4.822 40 HD23 LEU 21 HD23 LEU 21 -69.754 9.625 4.099 41 H ASP 22 H ASP 22 -68.007 6.171 5.956 42 HA ASP 22 HA ASP 22 -65.747 5.490 7.694 43 HB2 ASP 22 HB1 ASP 22 -66.779 4.151 5.178 44 HB3 ASP 22 HB2 ASP 22 -65.408 3.587 6.141 45 HD2 ASP 22 HD ASP 22 -67.458 2.023 8.394 46 H PHE 23 H PHE 23 -64.836 7.653 7.188 47 HA PHE 23 HA PHE 23 -63.660 7.853 4.515 48 HB2 PHE 23 HB1 PHE 23 -62.999 10.155 5.254 49 HB3 PHE 23 HB2 PHE 23 -64.741 9.870 5.237 50 HD1 PHE 23 HD1 PHE 23 -66.048 10.108 7.170 51 HD2 PHE 23 HD2 PHE 23 -61.802 10.073 7.473 52 HE1 PHE 23 HE1 PHE 23 -66.213 10.816 9.520 53 HE2 PHE 23 HE2 PHE 23 -61.961 10.782 9.824 54 HZ PHE 23 HZ PHE 23 -64.168 11.154 10.851 55 H ASN 24 H ASN 24 -61.377 8.586 4.373 56 HA ASN 24 HA ASN 24 -59.729 7.496 6.555 57 HB2 ASN 24 HB1 ASN 24 -58.121 6.771 4.688 58 HB3 ASN 24 HB2 ASN 24 -59.585 5.809 4.921 59 HD21 ASN 24 HD21 ASN 24 -59.449 5.045 2.796 60 HD22 ASN 24 HD22 ASN 24 -59.902 6.029 1.451 61 H ASN 25 H ASN 25 -57.458 8.273 6.489 62 HA ASN 25 HA ASN 25 -57.401 11.091 5.662 63 HB2 ASN 25 HB1 ASN 25 -57.041 10.270 8.119 64 HB3 ASN 25 HB2 ASN 25 -55.415 9.871 7.550 65 HD21 ASN 25 HD21 ASN 25 -57.550 12.362 8.498 66 HD22 ASN 25 HD22 ASN 25 -56.452 13.683 8.319 67 H ILE 26 H ILE 26 -55.441 11.967 4.778 68 HA ILE 26 HA ILE 26 -53.831 9.952 3.350 69 HB ILE 26 HB ILE 26 -53.471 11.691 1.604 70 HG12 ILE 26 HG11 ILE 26 -55.779 13.148 2.897 71 HG13 ILE 26 HG12 ILE 26 -54.090 13.590 3.199 72 HG21 ILE 26 HG21 ILE 26 -55.444 11.217 0.452 73 HG22 ILE 26 HG22 ILE 26 -55.291 9.885 1.596 74 HG23 ILE 26 HG23 ILE 26 -56.412 11.205 1.926 75 HD11 ILE 26 HD11 ILE 26 -53.981 13.674 0.574 76 HD12 ILE 26 HD12 ILE 26 -55.718 13.935 0.743 77 HD13 ILE 26 HD13 ILE 26 -54.580 15.039 1.516 78 H ARG 27 H ARG 27 -51.612 10.369 3.049 79 HA ARG 27 HA ARG 27 -50.462 12.045 5.145 80 HB2 ARG 27 HB1 ARG 27 -49.762 9.552 3.890 81 HB3 ARG 27 HB2 ARG 27 -48.423 10.698 3.733 82 HG2 ARG 27 HG1 ARG 27 -47.874 9.768 5.734 83 HG3 ARG 27 HG2 ARG 27 -48.909 11.091 6.295 84 HD2 ARG 27 HD1 ARG 27 -50.372 9.665 7.189 85 HD3 ARG 27 HD2 ARG 27 -50.508 8.791 5.657 86 HE ARG 27 HE ARG 27 -48.121 7.986 6.796 87 HH11 ARG 27 HH11 ARG 27 -51.507 7.884 7.600 88 HH12 ARG 27 HH12 ARG 27 -51.377 6.425 8.525 89 HH21 ARG 27 HH21 ARG 27 -47.938 6.064 8.011 90 HH22 ARG 27 HH22 ARG 27 -49.347 5.390 8.759 91 H SER 28 H SER 28 -50.050 11.466 1.657 92 HA SER 28 HA SER 28 -49.248 12.775 -0.022 93 HB2 SER 28 HB1 SER 28 -50.023 15.069 1.807 94 HB3 SER 28 HB2 SER 28 -49.778 15.151 0.053 95 HG SER 28 HG SER 28 -52.016 14.635 1.291 96 H SER 29 H SER 29 -47.346 11.803 1.782 97 HA SER 29 HA SER 29 -45.251 13.797 1.420 98 HB2 SER 29 HB1 SER 29 -46.432 13.259 3.964 99 HB3 SER 29 HB2 SER 29 -44.786 12.600 3.969 100 HG SER 29 HG SER 29 -44.007 14.629 3.371 101 H ALA 30 H ALA 30 -43.097 12.900 1.566 102 HA ALA 30 HA ALA 30 -42.894 9.990 1.575 103 HB1 ALA 30 HB1 ALA 30 -41.347 10.905 -0.633 104 HB2 ALA 30 HB2 ALA 30 -42.682 9.752 -0.619 105 HB3 ALA 30 HB3 ALA 30 -43.004 11.473 -0.830 106 H ASP 31 H ASP 31 -40.503 9.350 1.251 107 HA ASP 31 HA ASP 31 -38.971 10.852 3.180 108 HB2 ASP 31 HB1 ASP 31 -38.719 8.216 1.809 109 HB3 ASP 31 HB2 ASP 31 -37.238 8.966 2.418 110 HD2 ASP 31 HD ASP 31 -38.270 8.588 5.746 111 H LEU 32 H LEU 32 -36.973 11.842 2.839 112 HA LEU 32 HA LEU 32 -36.413 12.527 0.029 113 HB2 LEU 32 HB1 LEU 32 -36.557 14.118 2.499 114 HB3 LEU 32 HB2 LEU 32 -35.145 14.451 1.482 115 HG LEU 32 HG LEU 32 -36.936 16.008 0.992 116 HD11 LEU 32 HD11 LEU 32 -36.291 16.015 -1.129 117 HD12 LEU 32 HD12 LEU 32 -37.233 14.564 -1.470 118 HD13 LEU 32 HD13 LEU 32 -35.579 14.422 -0.875 119 HD21 LEU 32 HD21 LEU 32 -39.058 15.274 0.074 120 HD22 LEU 32 HD22 LEU 32 -38.814 14.578 1.676 121 HD23 LEU 32 HD23 LEU 32 -38.569 13.587 0.238 122 H HIS 33 H HIS 33 -34.044 13.327 -0.211 123 HA HIS 33 HA HIS 33 -32.289 11.415 1.186 124 HB2 HIS 33 HB1 HIS 33 -32.221 12.382 -1.679 125 HB3 HIS 33 HB2 HIS 33 -30.881 11.515 -0.920 126 HD1 HIS 33 HD1 HIS 33 -32.143 10.210 -3.314 127 HD2 HIS 33 HD2 HIS 33 -33.477 9.553 0.566 128 HE1 HIS 33 HE1 HIS 33 -33.342 8.001 -3.379 129 HE2 HIS 33 HE2 HIS 33 -34.159 7.598 -1.009 130 H GLY 34 H GLY 34 -29.849 12.205 0.644 131 HA2 GLY 34 HA2 GLY 34 -29.364 14.990 0.609 132 HA3 GLY 34 HA3 GLY 34 -29.399 14.424 2.272 133 HA1 GLY 34 HA1 GLY 34 -29.166 14.253 0.166 134 H ALA 35 H ALA 35 -27.740 14.194 -0.807 135 HA ALA 35 HA ALA 35 -25.702 12.414 0.104 136 HB1 ALA 35 HB1 ALA 35 -26.517 13.160 -2.338 137 HB2 ALA 35 HB2 ALA 35 -25.113 14.214 -2.161 138 HB3 ALA 35 HB3 ALA 35 -24.927 12.466 -2.018 139 H ARG 36 H ARG 36 -23.974 12.854 1.302 140 HA ARG 36 HA ARG 36 -23.362 15.637 1.931 141 HB2 ARG 36 HB1 ARG 36 -22.705 12.989 3.176 142 HB3 ARG 36 HB2 ARG 36 -21.719 14.407 3.559 143 HG2 ARG 36 HG1 ARG 36 -23.986 15.551 4.090 144 HG3 ARG 36 HG2 ARG 36 -24.591 13.889 4.187 145 HD2 ARG 36 HD1 ARG 36 -22.111 14.687 5.680 146 HD3 ARG 36 HD2 ARG 36 -23.713 15.049 6.335 147 HE ARG 36 HE ARG 36 -23.743 12.370 5.651 148 HH11 ARG 36 HH11 ARG 36 -21.972 14.444 7.815 149 HH12 ARG 36 HH12 ARG 36 -21.680 13.196 8.981 150 HH21 ARG 36 HH21 ARG 36 -23.365 10.719 7.178 151 HH22 ARG 36 HH22 ARG 36 -22.472 11.077 8.617 152 H LYS 37 H LYS 37 -22.029 16.595 0.533 153 HA LYS 37 HA LYS 37 -19.923 15.083 -0.783 154 HB2 LYS 37 HB1 LYS 37 -21.303 16.691 -2.059 155 HB3 LYS 37 HB2 LYS 37 -20.671 18.001 -1.049 156 HG2 LYS 37 HG1 LYS 37 -19.140 18.262 -2.651 157 HG3 LYS 37 HG2 LYS 37 -18.376 16.825 -1.947 158 HD2 LYS 37 HD1 LYS 37 -19.984 15.504 -3.511 159 HD3 LYS 37 HD2 LYS 37 -20.109 17.045 -4.379 160 HE2 LYS 37 HE1 LYS 37 -17.471 15.726 -3.718 161 HE3 LYS 37 HE2 LYS 37 -18.348 15.457 -5.230 162 HZ1 LYS 37 HZ1 LYS 37 -16.674 17.167 -5.492 163 HZ2 LYS 37 HZ2 LYS 37 -17.364 18.080 -4.248 164 HZ3 LYS 37 HZ3 LYS 37 -18.218 17.832 -5.687 165 H GLY 38 H GLY 38 -17.894 14.991 -0.079 166 HA2 GLY 38 HA2 GLY 38 -16.816 17.223 1.487 167 HA3 GLY 38 HA3 GLY 38 -16.794 15.621 2.211 168 HA1 GLY 38 HA1 GLY 38 -16.801 17.038 0.626 169 H SER 39 H SER 39 -15.231 14.187 1.638 170 HA SER 39 HA SER 39 -13.363 15.023 -0.479 171 HB2 SER 39 HB1 SER 39 -11.535 14.008 0.955 172 HB3 SER 39 HB2 SER 39 -12.246 15.508 1.577 173 HG SER 39 HG SER 39 -11.985 13.685 3.106 174 H GLN 40 H GLN 40 -11.724 13.002 -0.751 175 HA GLN 40 HA GLN 40 -13.476 10.776 -1.490 176 HB2 GLN 40 HB1 GLN 40 -11.271 12.084 -2.744 177 HB3 GLN 40 HB2 GLN 40 -10.823 10.396 -2.451 178 HG2 GLN 40 HG1 GLN 40 -13.491 10.956 -3.650 179 HG3 GLN 40 HG2 GLN 40 -12.049 11.138 -4.659 180 HE21 GLN 40 HE21 GLN 40 -13.219 8.836 -2.220 181 HE22 GLN 40 HE22 GLN 40 -12.869 7.419 -3.143 182 H CYS 41 H CYS 41 -10.127 11.125 -0.301 183 HA CYS 41 HA CYS 41 -10.613 8.805 1.447 184 HB2 CYS 41 HB1 CYS 41 -8.434 7.944 1.012 185 HB3 CYS 41 HB2 CYS 41 -9.180 8.272 -0.555 186 H LEU 42 H LEU 42 -9.734 8.877 3.490 187 HA LEU 42 HA LEU 42 -8.878 11.518 4.383 188 HB2 LEU 42 HB1 LEU 42 -10.555 9.581 5.453 189 HB3 LEU 42 HB2 LEU 42 -9.082 9.476 6.435 190 HG LEU 42 HG LEU 42 -9.309 11.976 6.799 191 HD11 LEU 42 HD11 LEU 42 -10.766 12.842 5.280 192 HD12 LEU 42 HD12 LEU 42 -11.883 12.551 6.612 193 HD13 LEU 42 HD13 LEU 42 -11.790 11.407 5.272 194 HD21 LEU 42 HD21 LEU 42 -10.561 9.764 8.052 195 HD22 LEU 42 HD22 LEU 42 -11.687 11.121 8.101 196 HD23 LEU 42 HD23 LEU 42 -10.063 11.297 8.770 197 H SER 43 H SER 43 -7.640 8.323 3.886 198 HA SER 43 HA SER 43 -4.957 9.246 4.440 199 HB2 SER 43 HB1 SER 43 -6.377 7.909 6.480 200 HB3 SER 43 HB2 SER 43 -5.248 6.720 5.806 201 HG SER 43 HG SER 43 -4.430 8.129 7.545 202 H ASP 44 H ASP 44 -3.323 7.782 3.674 203 HA ASP 44 HA ASP 44 -3.886 6.615 1.217 204 HB2 ASP 44 HB1 ASP 44 -1.653 5.846 1.183 205 HB3 ASP 44 HB2 ASP 44 -1.619 7.321 2.159 206 HD2 ASP 44 HD ASP 44 -0.225 4.148 3.783 207 H THR 45 H THR 45 -4.144 5.309 4.415 208 HA THR 45 HA THR 45 -4.103 2.557 3.744 209 HB THR 45 HB THR 45 -5.800 3.033 6.011 210 HG1 THR 45 HG1 THR 45 -4.243 4.249 7.241 211 HG21 THR 45 HG21 THR 45 -3.745 2.033 7.175 212 HG22 THR 45 HG22 THR 45 -3.045 1.919 5.561 213 HG23 THR 45 HG23 THR 45 -4.535 1.056 5.937 214 H ASP 46 H ASP 46 -6.521 5.019 3.512 215 HA ASP 46 HA ASP 46 -8.811 3.347 3.481 216 HB2 ASP 46 HB1 ASP 46 -8.690 5.897 3.805 217 HB3 ASP 46 HB2 ASP 46 -8.605 5.984 2.041 218 HD2 ASP 46 HD ASP 46 -12.071 6.186 2.550 219 H CYS 47 H CYS 47 -6.462 4.257 1.081 220 HA CYS 47 HA CYS 47 -7.820 3.775 -1.277 221 HB2 CYS 47 HB1 CYS 47 -5.314 4.490 -0.723 222 HB3 CYS 47 HB2 CYS 47 -5.019 2.781 -1.050 223 H ASN 48 H ASN 48 -7.580 1.889 -2.750 224 HA ASN 48 HA ASN 48 -8.151 -0.566 -1.271 225 HB2 ASN 48 HB1 ASN 48 -8.815 0.468 -3.997 226 HB3 ASN 48 HB2 ASN 48 -8.743 -1.282 -3.759 227 HD21 ASN 48 HD21 ASN 48 -10.349 -2.308 -2.698 228 HD22 ASN 48 HD22 ASN 48 -11.760 -1.524 -2.080 229 H THR 49 H THR 49 -5.416 0.542 -1.743 230 HA THR 49 HA THR 49 -4.111 -1.910 -2.311 231 HB THR 49 HB THR 49 -2.891 -0.312 -4.289 232 HG1 THR 49 HG1 THR 49 -5.145 0.674 -4.189 233 HG21 THR 49 HG21 THR 49 -3.064 -2.796 -4.176 234 HG22 THR 49 HG22 THR 49 -3.471 -2.130 -5.759 235 HG23 THR 49 HG23 THR 49 -4.752 -2.658 -4.667 236 H ARG 50 H ARG 50 -1.626 -1.416 -2.678 237 HA ARG 50 HA ARG 50 -0.832 0.175 -0.420 238 HB2 ARG 50 HB1 ARG 50 0.944 -1.172 -2.463 239 HB3 ARG 50 HB2 ARG 50 1.386 -0.663 -0.829 240 HG2 ARG 50 HG1 ARG 50 0.973 -2.753 -0.193 241 HG3 ARG 50 HG2 ARG 50 -0.742 -2.361 -0.405 242 HD2 ARG 50 HD1 ARG 50 -0.877 -3.393 -2.474 243 HD3 ARG 50 HD2 ARG 50 0.860 -3.228 -2.769 244 HE ARG 50 HE ARG 50 0.502 -4.935 -0.580 245 HH11 ARG 50 HH11 ARG 50 -0.080 -4.852 -4.012 246 HH12 ARG 50 HH12 ARG 50 0.057 -6.568 -4.207 247 HH21 ARG 50 HH21 ARG 50 0.684 -7.195 -0.825 248 HH22 ARG 50 HH22 ARG 50 0.490 -7.900 -2.394 249 H LYS 51 H LYS 51 -1.926 2.056 -1.758 250 HA LYS 51 HA LYS 51 0.241 3.457 -3.182 251 HB2 LYS 51 HB1 LYS 51 -2.712 3.917 -3.625 252 HB3 LYS 51 HB2 LYS 51 -1.360 4.522 -4.597 253 HG2 LYS 51 HG1 LYS 51 -0.835 2.221 -5.292 254 HG3 LYS 51 HG2 LYS 51 -2.227 1.647 -4.357 255 HD2 LYS 51 HD1 LYS 51 -3.722 3.043 -5.738 256 HD3 LYS 51 HD2 LYS 51 -2.321 3.559 -6.692 257 HE2 LYS 51 HE1 LYS 51 -1.917 1.034 -7.086 258 HE3 LYS 51 HE2 LYS 51 -3.585 0.843 -6.529 259 HZ1 LYS 51 HZ1 LYS 51 -4.386 2.147 -8.306 260 HZ2 LYS 51 HZ2 LYS 51 -3.284 1.062 -8.991 261 HZ3 LYS 51 HZ3 LYS 51 -2.837 2.674 -8.736 262 H PHE 52 H PHE 52 -0.168 5.913 -3.167 263 HA PHE 52 HA PHE 52 -0.759 6.673 -0.394 264 HB2 PHE 52 HB1 PHE 52 0.521 8.770 -0.980 265 HB3 PHE 52 HB2 PHE 52 1.465 7.278 -1.001 266 HD1 PHE 52 HD1 PHE 52 -0.460 9.492 -3.292 267 HD2 PHE 52 HD2 PHE 52 2.782 6.775 -2.825 268 HE1 PHE 52 HE1 PHE 52 0.257 9.956 -5.600 269 HE2 PHE 52 HE2 PHE 52 3.505 7.235 -5.131 270 HZ PHE 52 HZ PHE 52 2.242 8.828 -6.522 271 H CYS 53 H CYS 53 -2.008 8.521 0.070 272 HA CYS 53 HA CYS 53 -4.164 8.955 -1.791 273 HB2 CYS 53 HB1 CYS 53 -3.610 9.532 1.049 274 HB3 CYS 53 HB2 CYS 53 -4.614 10.731 0.232 275 H LEU 54 H LEU 54 -3.454 10.112 -3.533 276 HA LEU 54 HA LEU 54 -1.911 12.535 -3.169 277 HB2 LEU 54 HB1 LEU 54 -1.850 10.754 -5.118 278 HB3 LEU 54 HB2 LEU 54 -3.137 11.779 -5.776 279 HG LEU 54 HG LEU 54 -0.947 12.337 -6.716 280 HD11 LEU 54 HD11 LEU 54 -2.594 14.089 -6.592 281 HD12 LEU 54 HD12 LEU 54 -1.002 14.761 -6.240 282 HD13 LEU 54 HD13 LEU 54 -2.136 14.450 -4.927 283 HD21 LEU 54 HD21 LEU 54 0.142 13.678 -4.405 284 HD22 LEU 54 HD22 LEU 54 0.900 12.513 -5.492 285 HD23 LEU 54 HD23 LEU 54 -0.041 11.947 -4.111 286 H GLN 55 H GLN 55 -2.947 14.280 -2.453 287 HA GLN 55 HA GLN 55 -5.598 14.887 -3.589 288 HB2 GLN 55 HB1 GLN 55 -5.901 14.524 -1.271 289 HB3 GLN 55 HB2 GLN 55 -4.449 15.450 -0.862 290 HG2 GLN 55 HG1 GLN 55 -5.555 17.378 -0.791 291 HG3 GLN 55 HG2 GLN 55 -6.389 17.040 -2.314 292 HE21 GLN 55 HE21 GLN 55 -8.487 17.214 -2.035 293 HE22 GLN 55 HE22 GLN 55 -9.392 16.609 -0.693 294 HA PRO 56 HA PRO 56 -2.848 18.156 -5.237 295 HB2 PRO 56 HB1 PRO 56 -4.278 18.489 -7.549 296 HB3 PRO 56 HB2 PRO 56 -3.055 17.238 -7.333 297 HG2 PRO 56 HG1 PRO 56 -6.035 17.050 -7.058 298 HG3 PRO 56 HG2 PRO 56 -4.894 15.932 -7.895 299 HD2 PRO 56 HD1 PRO 56 -5.910 15.415 -5.432 300 HD3 PRO 56 HD2 PRO 56 -4.279 14.921 -5.917 301 H ARG 57 H ARG 57 -3.139 20.356 -5.236 302 HA ARG 57 HA ARG 57 -5.568 21.329 -4.014 303 HB2 ARG 57 HB1 ARG 57 -4.391 23.511 -3.973 304 HB3 ARG 57 HB2 ARG 57 -3.464 22.207 -3.216 305 HG2 ARG 57 HG1 ARG 57 -2.665 22.210 -5.898 306 HG3 ARG 57 HG2 ARG 57 -2.749 23.912 -5.414 307 HD2 ARG 57 HD1 ARG 57 -1.274 23.536 -3.553 308 HD3 ARG 57 HD2 ARG 57 -1.318 21.789 -3.826 309 HE ARG 57 HE ARG 57 0.319 22.047 -5.390 310 HH11 ARG 57 HH11 ARG 57 -1.273 25.110 -4.934 311 HH12 ARG 57 HH12 ARG 57 -0.186 25.976 -5.968 312 HH21 ARG 57 HH21 ARG 57 1.757 23.179 -6.754 313 HH22 ARG 57 HH22 ARG 57 1.536 24.877 -7.003 314 H ASP 58 H ASP 58 -4.192 21.179 -7.173 315 HA ASP 58 HA ASP 58 -6.009 23.207 -8.225 316 HB2 ASP 58 HB1 ASP 58 -4.126 21.528 -9.874 317 HB3 ASP 58 HB2 ASP 58 -4.754 23.147 -10.214 318 HD2 ASP 58 HD ASP 58 -1.462 22.813 -8.122 319 H GLU 59 H GLU 59 -5.712 19.784 -7.938 320 HA GLU 59 HA GLU 59 -8.088 19.453 -9.648 321 HB2 GLU 59 HB1 GLU 59 -5.581 18.313 -10.042 322 HB3 GLU 59 HB2 GLU 59 -6.530 17.022 -9.287 323 HG2 GLU 59 HG1 GLU 59 -8.308 17.456 -11.027 324 HG3 GLU 59 HG2 GLU 59 -7.123 18.488 -11.841 325 HE2 GLU 59 HE GLU 59 -5.158 15.688 -12.712 326 H LYS 60 H LYS 60 -8.986 17.060 -9.087 327 HA LYS 60 HA LYS 60 -9.853 17.283 -6.337 328 HB2 LYS 60 HB1 LYS 60 -11.321 15.338 -6.935 329 HB3 LYS 60 HB2 LYS 60 -11.552 16.776 -7.943 330 HG2 LYS 60 HG1 LYS 60 -10.835 15.760 -9.822 331 HG3 LYS 60 HG2 LYS 60 -9.607 14.814 -8.959 332 HD2 LYS 60 HD1 LYS 60 -10.947 13.033 -8.806 333 HD3 LYS 60 HD2 LYS 60 -12.289 14.020 -8.201 334 HE2 LYS 60 HE1 LYS 60 -12.567 14.786 -10.654 335 HE3 LYS 60 HE2 LYS 60 -11.553 13.387 -11.041 336 HZ1 LYS 60 HZ1 LYS 60 -14.265 13.446 -9.907 337 HZ2 LYS 60 HZ2 LYS 60 -13.259 12.128 -9.577 338 HZ3 LYS 60 HZ3 LYS 60 -13.655 12.510 -11.177 339 HA PRO 61 HA PRO 61 -7.238 14.253 -4.533 340 HB2 PRO 61 HB1 PRO 61 -8.910 13.127 -2.680 341 HB3 PRO 61 HB2 PRO 61 -8.240 14.751 -2.526 342 HG2 PRO 61 HG1 PRO 61 -10.926 13.891 -3.547 343 HG3 PRO 61 HG2 PRO 61 -10.513 15.224 -2.404 344 HD2 PRO 61 HD1 PRO 61 -11.073 15.662 -5.025 345 HD3 PRO 61 HD2 PRO 61 -9.905 16.639 -4.118 346 H PHE 62 H PHE 62 -6.560 12.368 -5.314 347 HA PHE 62 HA PHE 62 -8.490 10.221 -5.790 348 HB2 PHE 62 HB1 PHE 62 -7.215 9.710 -7.960 349 HB3 PHE 62 HB2 PHE 62 -8.354 11.056 -7.982 350 HD1 PHE 62 HD1 PHE 62 -7.678 12.961 -9.050 351 HD2 PHE 62 HD2 PHE 62 -4.750 10.515 -7.162 352 HE1 PHE 62 HE1 PHE 62 -5.907 14.480 -9.834 353 HE2 PHE 62 HE2 PHE 62 -2.976 12.030 -7.942 354 HZ PHE 62 HZ PHE 62 -3.553 14.017 -9.279 355 H CYS 63 H CYS 63 -7.091 8.203 -6.608 356 HA CYS 63 HA CYS 63 -4.930 7.926 -4.634 357 HB2 CYS 63 HB1 CYS 63 -7.140 6.229 -5.450 358 HB3 CYS 63 HB2 CYS 63 -5.599 5.380 -5.586 359 H ALA 64 H ALA 64 -2.981 8.167 -5.500 360 HA ALA 64 HA ALA 64 -2.509 7.208 -8.239 361 HB1 ALA 64 HB1 ALA 64 -1.658 9.263 -8.454 362 HB2 ALA 64 HB2 ALA 64 -1.554 9.503 -6.710 363 HB3 ALA 64 HB3 ALA 64 -0.275 8.636 -7.558 364 H THR 65 H THR 65 -1.156 5.562 -8.624 365 HA THR 65 HA THR 65 -0.292 3.857 -6.582 366 HB THR 65 HB THR 65 1.271 3.709 -9.074 367 HG1 THR 65 HG1 THR 65 -0.487 3.252 -10.375 368 HG21 THR 65 HG21 THR 65 0.409 1.988 -7.056 369 HG22 THR 65 HG22 THR 65 1.246 1.540 -8.543 370 HG23 THR 65 HG23 THR 65 -0.516 1.512 -8.480 371 H CYS 66 H CYS 66 2.076 3.126 -6.405 372 HA CYS 66 HA CYS 66 3.574 5.243 -5.297 373 HB2 CYS 66 HB1 CYS 66 5.333 3.600 -4.949 374 HB3 CYS 66 HB2 CYS 66 3.765 2.903 -4.539 375 H ARG 67 H ARG 67 5.995 5.480 -5.933 376 HA ARG 67 HA ARG 67 6.061 6.067 -8.815 377 HB2 ARG 67 HB1 ARG 67 7.614 7.276 -6.515 378 HB3 ARG 67 HB2 ARG 67 7.864 7.684 -8.219 379 HG2 ARG 67 HG1 ARG 67 5.382 8.314 -8.261 380 HG3 ARG 67 HG2 ARG 67 5.487 8.267 -6.493 381 HD2 ARG 67 HD1 ARG 67 7.231 9.951 -6.496 382 HD3 ARG 67 HD2 ARG 67 7.266 9.935 -8.265 383 HE ARG 67 HE ARG 67 4.706 10.584 -7.750 384 HH11 ARG 67 HH11 ARG 67 7.734 11.831 -6.569 385 HH12 ARG 67 HH12 ARG 67 7.128 13.437 -6.330 386 HH21 ARG 67 HH21 ARG 67 3.898 12.694 -7.439 387 HH22 ARG 67 HH22 ARG 67 4.946 13.926 -6.824 388 H GLY 68 H GLY 68 8.569 6.261 -9.490 389 HA2 GLY 68 HA2 GLY 68 9.557 3.543 -9.241 390 HA3 GLY 68 HA3 GLY 68 10.176 4.786 -10.319 391 HA1 GLY 68 HA1 GLY 68 9.432 3.992 -8.493 392 H LEU 69 H LEU 69 12.290 4.014 -9.643 393 HA LEU 69 HA LEU 69 13.100 4.482 -6.909 394 HB2 LEU 69 HB1 LEU 69 14.506 3.545 -9.399 395 HB3 LEU 69 HB2 LEU 69 15.401 3.951 -7.923 396 HG LEU 69 HG LEU 69 13.299 1.801 -8.175 397 HD11 LEU 69 HD11 LEU 69 15.052 0.229 -8.093 398 HD12 LEU 69 HD12 LEU 69 16.246 1.464 -7.692 399 HD13 LEU 69 HD13 LEU 69 15.531 1.419 -9.303 400 HD21 LEU 69 HD21 LEU 69 13.121 2.001 -5.966 401 HD22 LEU 69 HD22 LEU 69 14.462 3.143 -5.887 402 HD23 LEU 69 HD23 LEU 69 14.778 1.407 -5.866 403 H ARG 70 H ARG 70 14.192 5.749 -10.064 404 HA ARG 70 HA ARG 70 15.781 7.807 -9.088 405 HB2 ARG 70 HB1 ARG 70 14.180 7.657 -11.652 406 HB3 ARG 70 HB2 ARG 70 15.415 8.880 -11.317 407 HG2 ARG 70 HG1 ARG 70 16.462 6.231 -10.859 408 HG3 ARG 70 HG2 ARG 70 15.790 6.382 -12.491 409 HD2 ARG 70 HD1 ARG 70 17.572 8.542 -11.418 410 HD3 ARG 70 HD2 ARG 70 18.275 7.038 -12.030 411 HE ARG 70 HE ARG 70 16.555 7.855 -13.997 412 HH11 ARG 70 HH11 ARG 70 19.286 9.244 -12.345 413 HH12 ARG 70 HH12 ARG 70 19.778 10.210 -13.697 414 HH21 ARG 70 HH21 ARG 70 17.192 9.121 -15.784 415 HH22 ARG 70 HH22 ARG 70 18.586 10.139 -15.652 416 H ARG 71 H ARG 71 12.333 7.576 -9.325 417 HA ARG 71 HA ARG 71 11.625 10.279 -9.317 418 HB2 ARG 71 HB1 ARG 71 10.332 7.725 -8.803 419 HB3 ARG 71 HB2 ARG 71 9.708 9.004 -7.748 420 HG2 ARG 71 HG1 ARG 71 8.396 8.775 -9.814 421 HG3 ARG 71 HG2 ARG 71 9.151 10.371 -9.661 422 HD2 ARG 71 HD1 ARG 71 10.682 9.975 -11.349 423 HD3 ARG 71 HD2 ARG 71 10.592 8.220 -11.141 424 HE ARG 71 HE ARG 71 8.099 9.164 -12.029 425 HH11 ARG 71 HH11 ARG 71 11.364 8.722 -13.155 426 HH12 ARG 71 HH12 ARG 71 10.902 8.513 -14.812 427 HH21 ARG 71 HH21 ARG 71 7.479 8.891 -14.208 428 HH22 ARG 71 HH22 ARG 71 8.693 8.611 -15.410 429 H ARG 72 H ARG 72 11.113 11.725 -7.660 430 HA ARG 72 HA ARG 72 12.744 11.464 -5.305 431 HB2 ARG 72 HB1 ARG 72 10.887 13.614 -6.325 432 HB3 ARG 72 HB2 ARG 72 11.702 13.729 -4.759 433 HG2 ARG 72 HG1 ARG 72 13.820 13.175 -6.332 434 HG3 ARG 72 HG2 ARG 72 12.783 14.041 -7.478 435 HD2 ARG 72 HD1 ARG 72 13.551 15.069 -4.738 436 HD3 ARG 72 HD2 ARG 72 14.346 15.524 -6.252 437 HE ARG 72 HE ARG 72 11.892 16.547 -5.248 438 HH11 ARG 72 HH11 ARG 72 13.564 15.723 -8.188 439 HH12 ARG 72 HH12 ARG 72 12.684 16.855 -9.160 440 HH21 ARG 72 HH21 ARG 72 10.727 18.043 -6.517 441 HH22 ARG 72 HH22 ARG 72 11.072 18.175 -8.209 442 H CYS 73 H CYS 73 11.963 11.688 -3.125 443 HA CYS 73 HA CYS 73 9.144 11.140 -2.655 444 HB2 CYS 73 HB1 CYS 73 9.652 9.201 -1.194 445 HB3 CYS 73 HB2 CYS 73 10.027 8.901 -2.893 446 H GLN 74 H GLN 74 8.504 11.455 -0.452 447 HA GLN 74 HA GLN 74 10.422 13.096 1.066 448 HB2 GLN 74 HB1 GLN 74 7.493 13.352 0.558 449 HB3 GLN 74 HB2 GLN 74 8.119 13.902 2.120 450 HG2 GLN 74 HG1 GLN 74 9.566 15.489 1.089 451 HG3 GLN 74 HG2 GLN 74 9.226 14.827 -0.516 452 HE21 GLN 74 HE21 GLN 74 8.931 17.483 -0.082 453 HE22 GLN 74 HE22 GLN 74 7.257 17.912 -0.100 454 H ARG 75 H ARG 75 8.247 10.402 1.149 455 HA ARG 75 HA ARG 75 9.089 9.858 3.912 456 HB2 ARG 75 HB1 ARG 75 6.307 9.488 2.775 457 HB3 ARG 75 HB2 ARG 75 6.836 8.913 4.362 458 HG2 ARG 75 HG1 ARG 75 7.026 11.073 5.233 459 HG3 ARG 75 HG2 ARG 75 7.033 11.808 3.622 460 HD2 ARG 75 HD1 ARG 75 4.656 10.855 3.373 461 HD3 ARG 75 HD2 ARG 75 4.724 10.616 5.125 462 HE ARG 75 HE ARG 75 4.516 12.884 5.422 463 HH11 ARG 75 HH11 ARG 75 5.231 12.204 2.084 464 HH12 ARG 75 HH12 ARG 75 4.929 13.826 1.553 465 HH21 ARG 75 HH21 ARG 75 4.116 15.022 4.736 466 HH22 ARG 75 HH22 ARG 75 4.296 15.428 3.063 467 H ASP 76 H ASP 76 8.544 7.487 4.481 468 HA ASP 76 HA ASP 76 9.809 5.843 2.483 469 HB2 ASP 76 HB1 ASP 76 10.454 5.507 4.778 470 HB3 ASP 76 HB2 ASP 76 8.773 5.240 5.257 471 HD2 ASP 76 HD ASP 76 10.304 2.292 3.083 472 H ALA 77 H ALA 77 6.587 6.437 3.610 473 HA ALA 77 HA ALA 77 5.457 4.036 2.497 474 HB1 ALA 77 HB1 ALA 77 3.401 4.781 3.301 475 HB2 ALA 77 HB2 ALA 77 4.559 5.424 4.466 476 HB3 ALA 77 HB3 ALA 77 3.878 6.477 3.226 477 H MET 78 H MET 78 6.038 7.305 1.433 478 HA MET 78 HA MET 78 4.255 7.547 -0.667 479 HB2 MET 78 HB1 MET 78 6.827 8.739 0.087 480 HB3 MET 78 HB2 MET 78 6.528 8.741 -1.658 481 HG2 MET 78 HG1 MET 78 4.162 9.664 -0.889 482 HG3 MET 78 HG2 MET 78 5.108 10.178 0.511 483 HE1 MET 78 HE1 MET 78 4.492 10.486 -3.280 484 HE2 MET 78 HE2 MET 78 5.762 11.581 -3.827 485 HE3 MET 78 HE3 MET 78 6.168 9.936 -3.337 486 H CYS 79 H CYS 79 7.136 5.614 -0.421 487 HA CYS 79 HA CYS 79 6.999 4.928 -3.268 488 HB2 CYS 79 HB1 CYS 79 9.158 5.455 -1.686 489 HB3 CYS 79 HB2 CYS 79 9.098 3.693 -1.603 490 H CYS 80 H CYS 80 6.882 2.758 -3.961 491 HA CYS 80 HA CYS 80 5.002 1.159 -2.725 492 HB2 CYS 80 HB1 CYS 80 6.928 0.864 -4.921 493 HB3 CYS 80 HB2 CYS 80 6.515 -0.663 -4.136 494 HA PRO 81 HA PRO 81 6.947 -1.078 0.507 495 HB2 PRO 81 HB1 PRO 81 5.855 -3.576 0.241 496 HB3 PRO 81 HB2 PRO 81 4.953 -2.177 0.820 497 HG2 PRO 81 HG1 PRO 81 5.067 -3.359 -1.935 498 HG3 PRO 81 HG2 PRO 81 3.635 -2.806 -0.989 499 HD2 PRO 81 HD1 PRO 81 4.749 -1.316 -2.964 500 HD3 PRO 81 HD2 PRO 81 4.011 -0.597 -1.523 501 H GLY 82 H GLY 82 9.047 -1.581 0.512 502 HA2 GLY 82 HA2 GLY 82 10.455 -3.671 0.171 503 HA3 GLY 82 HA3 GLY 82 10.036 -3.476 -1.525 504 HA1 GLY 82 HA1 GLY 82 10.431 -2.839 0.466 505 H THR 83 H THR 83 10.195 -0.451 -0.980 506 HA THR 83 HA THR 83 13.132 -0.275 -1.187 507 HB THR 83 HB THR 83 12.533 1.937 -2.444 508 HG1 THR 83 HG1 THR 83 10.253 0.469 -3.219 509 HG21 THR 83 HG21 THR 83 13.508 0.683 -4.012 510 HG22 THR 83 HG22 THR 83 11.900 0.106 -4.454 511 HG23 THR 83 HG23 THR 83 12.878 -0.802 -3.300 512 H LEU 84 H LEU 84 13.881 2.081 -0.751 513 HA LEU 84 HA LEU 84 12.419 3.182 1.551 514 HB2 LEU 84 HB1 LEU 84 15.130 2.086 1.432 515 HB3 LEU 84 HB2 LEU 84 15.052 3.719 2.117 516 HG LEU 84 HG LEU 84 13.371 1.438 3.138 517 HD11 LEU 84 HD11 LEU 84 14.978 0.888 4.705 518 HD12 LEU 84 HD12 LEU 84 15.850 2.406 4.500 519 HD13 LEU 84 HD13 LEU 84 15.947 1.159 3.256 520 HD21 LEU 84 HD21 LEU 84 13.766 3.162 5.189 521 HD22 LEU 84 HD22 LEU 84 12.374 3.206 4.105 522 HD23 LEU 84 HD23 LEU 84 13.751 4.273 3.819 523 H CYS 85 H CYS 85 13.062 5.427 2.076 524 HA CYS 85 HA CYS 85 13.533 6.923 -0.401 525 HB2 CYS 85 HB1 CYS 85 11.461 7.315 1.014 526 HB3 CYS 85 HB2 CYS 85 12.532 8.015 2.229 527 H VAL 86 H VAL 86 15.578 7.488 -0.729 528 HA VAL 86 HA VAL 86 17.124 8.522 1.556 529 HB VAL 86 HB VAL 86 18.259 6.936 -0.751 530 HG11 VAL 86 HG11 VAL 86 20.259 6.895 0.867 531 HG12 VAL 86 HG12 VAL 86 19.952 8.375 -0.044 532 HG13 VAL 86 HG13 VAL 86 19.469 8.262 1.649 533 HG21 VAL 86 HG21 VAL 86 18.612 5.140 0.831 534 HG22 VAL 86 HG22 VAL 86 17.895 6.100 2.125 535 HG23 VAL 86 HG23 VAL 86 16.899 5.555 0.776 536 H ASN 87 H ASN 87 18.111 10.438 1.267 537 HA ASN 87 HA ASN 87 18.594 12.461 0.341 538 HB2 ASN 87 HB1 ASN 87 19.146 10.862 -2.171 539 HB3 ASN 87 HB2 ASN 87 19.828 12.433 -1.733 540 HD21 ASN 87 HD21 ASN 87 21.149 9.890 -2.351 541 HD22 ASN 87 HD22 ASN 87 22.148 9.537 -0.984 542 H ASP 88 H ASP 88 15.863 11.684 0.265 543 HA ASP 88 HA ASP 88 13.878 12.396 -0.586 544 HB2 ASP 88 HB1 ASP 88 15.544 14.523 -0.864 545 HB3 ASP 88 HB2 ASP 88 15.072 14.257 -2.548 546 HD2 ASP 88 HD ASP 88 12.255 15.414 -0.002 547 H VAL 89 H VAL 89 15.480 10.264 -1.893 548 HA VAL 89 HA VAL 89 13.934 10.155 -4.372 549 HB VAL 89 HB VAL 89 16.893 9.550 -4.286 550 HG11 VAL 89 HG11 VAL 89 16.677 9.221 -6.695 551 HG12 VAL 89 HG12 VAL 89 15.637 8.103 -5.808 552 HG13 VAL 89 HG13 VAL 89 14.943 9.525 -6.588 553 HG21 VAL 89 HG21 VAL 89 15.344 11.942 -5.145 554 HG22 VAL 89 HG22 VAL 89 16.916 11.839 -4.353 555 HG23 VAL 89 HG23 VAL 89 16.771 11.484 -6.075 556 H CYS 90 H CYS 90 13.205 8.148 -4.884 557 HA CYS 90 HA CYS 90 13.189 6.151 -2.897 558 HB2 CYS 90 HB1 CYS 90 12.295 6.296 -5.757 559 HB3 CYS 90 HB2 CYS 90 12.309 4.736 -4.934 560 H THR 91 H THR 91 14.232 4.191 -2.731 561 HA THR 91 HA THR 91 16.202 3.415 -4.715 562 HB THR 91 HB THR 91 17.490 4.966 -3.330 563 HG1 THR 91 HG1 THR 91 19.159 3.620 -3.276 564 HG21 THR 91 HG21 THR 91 16.826 5.142 -1.189 565 HG22 THR 91 HG22 THR 91 17.879 3.756 -0.908 566 HG23 THR 91 HG23 THR 91 16.151 3.513 -1.167 567 H THR 92 H THR 92 17.031 1.275 -4.389 568 HA THR 92 HA THR 92 15.094 -0.487 -3.223 569 HB THR 92 HB THR 92 17.421 -1.961 -3.858 570 HG1 THR 92 HG1 THR 92 17.399 -1.068 -6.189 571 HG21 THR 92 HG21 THR 92 16.025 -2.735 -5.766 572 HG22 THR 92 HG22 THR 92 14.862 -1.465 -5.382 573 HG23 THR 92 HG23 THR 92 15.173 -2.757 -4.223 574 H MET 93 H MET 93 15.650 -2.219 -1.706 575 HA MET 93 HA MET 93 16.846 -1.197 0.646 576 HB2 MET 93 HB1 MET 93 15.398 -3.579 -0.166 577 HB3 MET 93 HB2 MET 93 16.723 -3.971 0.941 578 HG2 MET 93 HG1 MET 93 15.814 -2.116 2.443 579 HG3 MET 93 HG2 MET 93 14.378 -2.167 1.417 580 HE1 MET 93 HE1 MET 93 15.227 -3.151 4.807 581 HE2 MET 93 HE2 MET 93 13.749 -2.425 4.178 582 HE3 MET 93 HE3 MET 93 13.694 -4.010 4.950 583 H GLU 94 H GLU 94 18.054 -3.065 -2.020 584 HA GLU 94 HA GLU 94 20.409 -4.000 -0.673 585 HB2 GLU 94 HB1 GLU 94 19.784 -3.836 -3.632 586 HB3 GLU 94 HB2 GLU 94 21.134 -4.723 -2.908 587 HG2 GLU 94 HG1 GLU 94 19.711 -6.310 -1.904 588 HG3 GLU 94 HG2 GLU 94 18.279 -5.315 -2.207 589 HE2 GLU 94 HE GLU 94 18.518 -7.929 -4.752 590 H ASP 95 H ASP 95 19.504 -1.173 -2.470 591 HA ASP 95 HA ASP 95 22.191 -0.285 -2.968 592 HB2 ASP 95 HB1 ASP 95 19.449 0.750 -3.447 593 HB3 ASP 95 HB2 ASP 95 20.731 1.959 -3.293 594 HD2 ASP 95 HD ASP 95 21.716 -0.520 -6.166 595 H ALA 96 H ALA 96 19.585 0.749 -0.772 596 HA ALA 96 HA ALA 96 21.099 2.708 0.575 597 HB1 ALA 96 HB1 ALA 96 18.957 3.097 1.109 598 HB2 ALA 96 HB2 ALA 96 18.499 1.403 0.930 599 HB3 ALA 96 HB3 ALA 96 19.251 1.959 2.425 600 H THR 97 H THR 97 22.637 2.545 2.068 601 HA THR 97 HA THR 97 24.058 1.699 3.633 602 HB THR 97 HB THR 97 21.934 -0.364 4.231 603 HG1 THR 97 HG1 THR 97 20.935 1.138 5.465 604 HG21 THR 97 HG21 THR 97 23.695 0.875 6.283 605 HG22 THR 97 HG22 THR 97 24.402 -0.327 5.204 606 HG23 THR 97 HG23 THR 97 23.016 -0.750 6.210 607 H GLU 98 H GLU 98 25.654 0.942 2.283 608 HA GLU 98 HA GLU 98 25.786 -1.957 2.010 609 HB2 GLU 98 HB1 GLU 98 24.804 -1.170 -0.106 610 HB3 GLU 98 HB2 GLU 98 26.186 -0.087 -0.333 611 HG2 GLU 98 HG1 GLU 98 26.887 -1.800 -1.633 612 HG3 GLU 98 HG2 GLU 98 27.532 -2.352 -0.081 613 HE2 GLU 98 HE GLU 98 24.364 -4.271 -1.530 614 H ASN 99 H ASN 99 27.638 -2.515 2.925 615 HA ASN 99 HA ASN 99 29.931 -0.683 2.715 616 HB2 ASN 99 HB1 ASN 99 28.806 -1.667 4.981 617 HB3 ASN 99 HB2 ASN 99 30.038 -2.897 4.673 618 HD21 ASN 99 HD21 ASN 99 29.778 -0.791 6.757 619 HD22 ASN 99 HD22 ASN 99 31.272 0.075 6.703 620 H LEU 100 H LEU 100 32.077 -2.063 3.075 621 HA LEU 100 HA LEU 100 32.001 -4.503 1.468 622 HB2 LEU 100 HB1 LEU 100 33.273 -1.932 0.718 623 HB3 LEU 100 HB2 LEU 100 34.215 -3.404 0.429 624 HG LEU 100 HG LEU 100 31.410 -3.214 -0.593 625 HD11 LEU 100 HD11 LEU 100 33.003 -2.522 -2.730 626 HD12 LEU 100 HD12 LEU 100 33.646 -1.547 -1.409 627 HD13 LEU 100 HD13 LEU 100 31.937 -1.440 -1.832 628 HD21 LEU 100 HD21 LEU 100 33.807 -4.509 -1.851 629 HD22 LEU 100 HD22 LEU 100 32.098 -4.850 -2.117 630 HD23 LEU 100 HD23 LEU 100 32.866 -5.319 -0.598 631 H TYR 101 H TYR 101 34.269 -5.512 1.401 632 HA TYR 101 HA TYR 101 35.815 -4.929 3.816 633 HB2 TYR 101 HB1 TYR 101 34.328 -7.455 3.220 634 HB3 TYR 101 HB2 TYR 101 35.891 -7.571 4.035 635 HD1 TYR 101 HD1 TYR 101 32.572 -5.909 4.314 636 HD2 TYR 101 HD2 TYR 101 36.061 -7.254 6.343 637 HE1 TYR 101 HE1 TYR 101 31.504 -5.407 6.471 638 HE2 TYR 101 HE2 TYR 101 35.002 -6.757 8.506 639 HH TYR 101 HH TYR 101 33.266 -5.725 9.512 640 H PHE 102 H PHE 102 37.863 -6.275 3.860 641 HA PHE 102 HA PHE 102 38.805 -7.076 1.219 642 HB2 PHE 102 HB1 PHE 102 40.705 -5.639 1.204 643 HB3 PHE 102 HB2 PHE 102 39.301 -4.621 1.529 644 HD1 PHE 102 HD1 PHE 102 42.334 -6.075 2.969 645 HD2 PHE 102 HD2 PHE 102 38.977 -3.552 3.660 646 HE1 PHE 102 HE1 PHE 102 43.406 -5.212 5.009 647 HE2 PHE 102 HE2 PHE 102 40.044 -2.683 5.699 648 HZ PHE 102 HZ PHE 102 42.261 -3.512 6.376 649 H GLN 103 H GLN 103 41.297 -7.702 1.533 650 HA GLN 103 HA GLN 103 41.758 -8.974 4.108 651 HB2 GLN 103 HB1 GLN 103 40.852 -10.400 1.735 652 HB3 GLN 103 HB2 GLN 103 42.401 -11.015 2.336 653 HG2 GLN 103 HG1 GLN 103 40.657 -10.632 4.559 654 HG3 GLN 103 HG2 GLN 103 39.807 -11.550 3.308 655 HE21 GLN 103 HE21 GLN 103 41.150 -13.350 2.322 656 HE22 GLN 103 HE22 GLN 103 42.064 -14.316 3.424 657 H SER 104 H SER 104 43.929 -9.629 4.437 658 HA SER 104 HA SER 104 45.812 -8.393 2.541 659 HB2 SER 104 HB1 SER 104 45.533 -7.603 5.050 660 HB3 SER 104 HB2 SER 104 46.580 -9.000 5.369 661 HG SER 104 HG SER 104 47.164 -6.865 3.589 662 H LEU 105 H LEU 105 47.545 -9.531 1.797 663 HA LEU 105 HA LEU 105 47.598 -12.393 2.478 664 HB2 LEU 105 HB1 LEU 105 48.792 -12.652 0.294 665 HB3 LEU 105 HB2 LEU 105 47.118 -12.086 0.178 666 HG LEU 105 HG LEU 105 48.830 -9.809 0.254 667 HD11 LEU 105 HD11 LEU 105 49.692 -12.010 -1.592 668 HD12 LEU 105 HD12 LEU 105 50.678 -11.004 -0.531 669 HD13 LEU 105 HD13 LEU 105 49.957 -10.311 -1.983 670 HD21 LEU 105 HD21 LEU 105 47.881 -9.767 -2.208 671 HD22 LEU 105 HD22 LEU 105 46.841 -9.467 -0.816 672 HD23 LEU 105 HD23 LEU 105 46.852 -11.055 -1.584 673 H GLU 106 H GLU 106 49.573 -9.511 2.107 674 HA GLU 106 HA GLU 106 51.697 -9.006 2.745 675 HB2 GLU 106 HB1 GLU 106 50.504 -10.272 4.864 676 HB3 GLU 106 HB2 GLU 106 51.976 -11.229 4.644 677 HG2 GLU 106 HG1 GLU 106 53.168 -8.918 4.584 678 HG3 GLU 106 HG2 GLU 106 51.690 -8.351 5.374 679 HE2 GLU 106 HE GLU 106 54.328 -9.961 7.627 680 H HIS 107 H HIS 107 53.916 -10.305 3.412 681 HA HIS 107 HA HIS 107 54.476 -11.879 1.032 682 HB2 HIS 107 HB1 HIS 107 56.784 -11.518 1.487 683 HB3 HIS 107 HB2 HIS 107 55.960 -9.988 1.802 684 HD1 HIS 107 HD1 HIS 107 57.920 -12.648 3.483 685 HD2 HIS 107 HD2 HIS 107 55.797 -9.236 4.533 686 HE1 HIS 107 HE1 HIS 107 58.588 -12.145 5.854 687 HE2 HIS 107 HE2 HIS 107 57.290 -10.058 6.497 688 H HIS 108 H HIS 108 56.069 -13.751 1.348 689 HA HIS 108 HA HIS 108 55.273 -15.346 3.695 690 HB2 HIS 108 HB1 HIS 108 55.280 -16.052 0.786 691 HB3 HIS 108 HB2 HIS 108 55.643 -17.315 1.968 692 HD1 HIS 108 HD1 HIS 108 53.652 -18.615 2.599 693 HD2 HIS 108 HD2 HIS 108 52.686 -14.676 1.702 694 HE1 HIS 108 HE1 HIS 108 51.159 -18.454 2.883 695 HE2 HIS 108 HE2 HIS 108 50.566 -16.047 2.335 696 H HIS 109 H HIS 109 56.793 -17.421 3.722 697 HA HIS 109 HA HIS 109 58.873 -18.229 4.168 698 HB2 HIS 109 HB1 HIS 109 58.995 -17.182 1.603 699 HB3 HIS 109 HB2 HIS 109 60.389 -16.457 2.412 700 HD1 HIS 109 HD1 HIS 109 58.926 -19.975 2.220 701 HD2 HIS 109 HD2 HIS 109 62.580 -17.998 2.154 702 HE1 HIS 109 HE1 HIS 109 60.657 -21.773 1.915 703 HE2 HIS 109 HE2 HIS 109 62.892 -20.566 1.875 704 H HIS 110 H HIS 110 59.199 -17.552 6.238 705 HA HIS 110 HA HIS 110 59.897 -14.870 6.917 706 HB2 HIS 110 HB1 HIS 110 59.802 -17.475 8.413 707 HB3 HIS 110 HB2 HIS 110 60.520 -16.044 9.158 708 HD1 HIS 110 HD1 HIS 110 57.457 -17.738 9.151 709 HD2 HIS 110 HD2 HIS 110 58.499 -13.730 8.823 710 HE1 HIS 110 HE1 HIS 110 55.391 -16.452 9.787 711 HE2 HIS 110 HE2 HIS 110 56.029 -14.001 9.589 712 H HIS 111 H HIS 111 61.932 -14.629 8.434 713 HA HIS 111 HA HIS 111 64.206 -15.050 6.740 714 HB2 HIS 111 HB1 HIS 111 63.938 -13.869 9.512 715 HB3 HIS 111 HB2 HIS 111 65.450 -13.906 8.599 716 HD1 HIS 111 HD1 HIS 111 63.895 -11.279 9.489 717 HD2 HIS 111 HD2 HIS 111 63.877 -12.988 5.703 718 HE1 HIS 111 HE1 HIS 111 63.308 -9.411 7.912 719 HE2 HIS 111 HE2 HIS 111 63.296 -10.453 5.597 720 H HIS 112 H HIS 112 63.324 -16.137 10.015 721 HA HIS 112 HA HIS 112 64.048 -17.878 11.290 722 HB2 HIS 112 HB1 HIS 112 63.082 -19.018 9.187 723 HB3 HIS 112 HB2 HIS 112 64.766 -19.299 8.736 724 HD1 HIS 112 HD1 HIS 112 62.121 -20.498 11.035 725 HD2 HIS 112 HD2 HIS 112 66.181 -21.112 10.405 726 HE1 HIS 112 HE1 HIS 112 62.699 -22.568 12.342 727 HE2 HIS 112 HE2 HIS 112 65.181 -22.943 11.957 Start of MODEL 44 1 H1 MET 18 H MET 18 -54.598 -35.258 12.221 2 HA MET 18 HA MET 18 -51.992 -34.054 12.863 3 HB2 MET 18 HB1 MET 18 -54.510 -32.486 12.266 4 HB3 MET 18 HB2 MET 18 -52.891 -31.837 12.569 5 HG2 MET 18 HG1 MET 18 -52.632 -31.774 10.362 6 HG3 MET 18 HG2 MET 18 -52.485 -33.532 10.445 7 HE1 MET 18 HE1 MET 18 -54.334 -31.726 7.574 8 HE2 MET 18 HE2 MET 18 -52.876 -32.597 8.052 9 HE3 MET 18 HE3 MET 18 -54.246 -33.477 7.370 10 H LEU 19 H LEU 19 -51.867 -34.757 14.947 11 HA LEU 19 HA LEU 19 -54.142 -34.278 16.727 12 HB2 LEU 19 HB1 LEU 19 -52.185 -36.316 16.524 13 HB3 LEU 19 HB2 LEU 19 -51.915 -35.472 18.057 14 HG LEU 19 HG LEU 19 -53.354 -37.454 18.300 15 HD11 LEU 19 HD11 LEU 19 -55.354 -36.113 19.311 16 HD12 LEU 19 HD12 LEU 19 -54.348 -34.716 18.933 17 HD13 LEU 19 HD13 LEU 19 -53.742 -35.973 20.010 18 HD21 LEU 19 HD21 LEU 19 -54.437 -36.787 15.931 19 HD22 LEU 19 HD22 LEU 19 -55.651 -36.116 17.021 20 HD23 LEU 19 HD23 LEU 19 -55.234 -37.828 17.109 21 H VAL 20 H VAL 20 -50.702 -33.525 16.374 22 HA VAL 20 HA VAL 20 -50.988 -31.478 18.472 23 HB VAL 20 HB VAL 20 -48.578 -31.533 18.734 24 HG11 VAL 20 HG11 VAL 20 -48.393 -33.581 19.851 25 HG12 VAL 20 HG12 VAL 20 -50.124 -33.240 19.852 26 HG13 VAL 20 HG13 VAL 20 -49.453 -34.403 18.707 27 HG21 VAL 20 HG21 VAL 20 -47.697 -33.768 17.358 28 HG22 VAL 20 HG22 VAL 20 -48.704 -32.917 16.188 29 HG23 VAL 20 HG23 VAL 20 -47.351 -32.086 16.956 30 H LEU 21 H LEU 21 -50.361 -29.374 18.087 31 HA LEU 21 HA LEU 21 -50.300 -28.592 15.292 32 HB2 LEU 21 HB1 LEU 21 -50.970 -27.340 17.852 33 HB3 LEU 21 HB2 LEU 21 -50.053 -26.285 16.762 34 HG LEU 21 HG LEU 21 -51.839 -26.904 15.006 35 HD11 LEU 21 HD11 LEU 21 -53.787 -27.222 17.161 36 HD12 LEU 21 HD12 LEU 21 -52.707 -28.601 16.959 37 HD13 LEU 21 HD13 LEU 21 -53.676 -28.032 15.599 38 HD21 LEU 21 HD21 LEU 21 -51.723 -24.920 17.072 39 HD22 LEU 21 HD22 LEU 21 -53.404 -25.305 16.706 40 HD23 LEU 21 HD23 LEU 21 -52.319 -24.776 15.419 41 H ASP 22 H ASP 22 -48.660 -27.421 14.305 42 HA ASP 22 HA ASP 22 -46.177 -27.014 15.799 43 HB2 ASP 22 HB1 ASP 22 -46.171 -29.273 14.616 44 HB3 ASP 22 HB2 ASP 22 -46.161 -28.362 13.099 45 HD2 ASP 22 HD ASP 22 -42.934 -27.568 15.228 46 H PHE 23 H PHE 23 -46.111 -24.845 15.641 47 HA PHE 23 HA PHE 23 -45.375 -23.643 13.189 48 HB2 PHE 23 HB1 PHE 23 -47.818 -23.889 12.784 49 HB3 PHE 23 HB2 PHE 23 -48.123 -22.892 14.208 50 HD1 PHE 23 HD1 PHE 23 -47.618 -20.509 14.219 51 HD2 PHE 23 HD2 PHE 23 -47.042 -22.884 10.734 52 HE1 PHE 23 HE1 PHE 23 -47.473 -18.466 12.855 53 HE2 PHE 23 HE2 PHE 23 -46.896 -20.845 9.364 54 HZ PHE 23 HZ PHE 23 -47.110 -18.633 10.424 55 H ASN 24 H ASN 24 -43.747 -22.556 14.125 56 HA ASN 24 HA ASN 24 -44.391 -20.330 15.844 57 HB2 ASN 24 HB1 ASN 24 -43.936 -22.560 17.227 58 HB3 ASN 24 HB2 ASN 24 -42.254 -22.094 16.946 59 HD21 ASN 24 HD21 ASN 24 -42.923 -22.163 19.466 60 HD22 ASN 24 HD22 ASN 24 -43.165 -20.585 20.127 61 H ASN 25 H ASN 25 -42.371 -19.046 16.362 62 HA ASN 25 HA ASN 25 -40.618 -17.824 15.578 63 HB2 ASN 25 HB1 ASN 25 -39.630 -20.219 16.040 64 HB3 ASN 25 HB2 ASN 25 -39.478 -20.271 14.280 65 HD21 ASN 25 HD21 ASN 25 -37.351 -20.087 13.982 66 HD22 ASN 25 HD22 ASN 25 -36.383 -18.768 14.540 67 H ILE 26 H ILE 26 -42.031 -16.732 14.085 68 HA ILE 26 HA ILE 26 -41.568 -17.504 11.278 69 HB ILE 26 HB ILE 26 -43.643 -16.228 10.746 70 HG12 ILE 26 HG11 ILE 26 -44.389 -16.419 13.644 71 HG13 ILE 26 HG12 ILE 26 -43.457 -15.022 13.077 72 HG21 ILE 26 HG21 ILE 26 -43.394 -18.788 11.389 73 HG22 ILE 26 HG22 ILE 26 -44.478 -18.306 12.692 74 HG23 ILE 26 HG23 ILE 26 -44.960 -18.068 11.013 75 HD11 ILE 26 HD11 ILE 26 -45.173 -14.298 11.661 76 HD12 ILE 26 HD12 ILE 26 -46.027 -15.837 11.771 77 HD13 ILE 26 HD13 ILE 26 -45.972 -14.756 13.164 78 H ARG 27 H ARG 27 -40.994 -15.919 9.804 79 HA ARG 27 HA ARG 27 -39.961 -14.034 9.062 80 HB2 ARG 27 HB1 ARG 27 -41.990 -13.079 10.989 81 HB3 ARG 27 HB2 ARG 27 -40.703 -11.929 10.600 82 HG2 ARG 27 HG1 ARG 27 -41.665 -13.138 8.182 83 HG3 ARG 27 HG2 ARG 27 -43.018 -12.482 9.118 84 HD2 ARG 27 HD1 ARG 27 -41.696 -10.339 9.346 85 HD3 ARG 27 HD2 ARG 27 -40.562 -11.021 8.172 86 HE ARG 27 HE ARG 27 -42.059 -10.556 6.509 87 HH11 ARG 27 HH11 ARG 27 -43.708 -10.465 9.575 88 HH12 ARG 27 HH12 ARG 27 -45.187 -9.857 8.909 89 HH21 ARG 27 HH21 ARG 27 -44.002 -9.755 5.621 90 HH22 ARG 27 HH22 ARG 27 -45.354 -9.456 6.659 91 H SER 28 H SER 28 -38.592 -12.060 9.882 92 HA SER 28 HA SER 28 -37.187 -12.641 12.365 93 HB2 SER 28 HB1 SER 28 -35.928 -12.792 9.624 94 HB3 SER 28 HB2 SER 28 -34.968 -12.443 11.073 95 HG SER 28 HG SER 28 -35.173 -14.730 10.419 96 H SER 29 H SER 29 -36.556 -10.832 13.371 97 HA SER 29 HA SER 29 -37.047 -8.291 12.050 98 HB2 SER 29 HB1 SER 29 -36.563 -9.139 14.899 99 HB3 SER 29 HB2 SER 29 -36.431 -7.434 14.431 100 HG SER 29 HG SER 29 -38.650 -8.924 14.833 101 H ALA 30 H ALA 30 -35.294 -8.231 10.596 102 HA ALA 30 HA ALA 30 -32.653 -7.867 11.852 103 HB1 ALA 30 HB1 ALA 30 -31.802 -8.301 9.483 104 HB2 ALA 30 HB2 ALA 30 -32.451 -9.676 10.379 105 HB3 ALA 30 HB3 ALA 30 -33.429 -8.890 9.140 106 H ASP 31 H ASP 31 -31.646 -5.957 11.655 107 HA ASP 31 HA ASP 31 -32.039 -4.147 9.512 108 HB2 ASP 31 HB1 ASP 31 -33.049 -2.297 10.947 109 HB3 ASP 31 HB2 ASP 31 -34.143 -3.592 10.444 110 HD2 ASP 31 HD ASP 31 -34.616 -4.673 13.694 111 H LEU 32 H LEU 32 -30.784 -2.175 9.762 112 HA LEU 32 HA LEU 32 -29.187 -1.668 12.038 113 HB2 LEU 32 HB1 LEU 32 -28.265 -3.842 10.754 114 HB3 LEU 32 HB2 LEU 32 -27.430 -2.574 9.840 115 HG LEU 32 HG LEU 32 -27.194 -2.250 12.734 116 HD11 LEU 32 HD11 LEU 32 -26.565 -4.847 11.471 117 HD12 LEU 32 HD12 LEU 32 -26.964 -4.462 13.145 118 HD13 LEU 32 HD13 LEU 32 -25.336 -4.162 12.535 119 HD21 LEU 32 HD21 LEU 32 -25.053 -1.573 12.204 120 HD22 LEU 32 HD22 LEU 32 -25.936 -1.158 10.734 121 HD23 LEU 32 HD23 LEU 32 -24.955 -2.624 10.790 122 H HIS 33 H HIS 33 -28.379 0.354 11.936 123 HA HIS 33 HA HIS 33 -28.046 1.621 9.315 124 HB2 HIS 33 HB1 HIS 33 -30.310 2.058 10.786 125 HB3 HIS 33 HB2 HIS 33 -29.266 3.367 11.350 126 HD1 HIS 33 HD1 HIS 33 -31.623 2.642 8.764 127 HD2 HIS 33 HD2 HIS 33 -28.136 4.887 9.015 128 HE1 HIS 33 HE1 HIS 33 -31.704 4.229 6.815 129 HE2 HIS 33 HE2 HIS 33 -29.574 5.603 6.969 130 H GLY 34 H GLY 34 -26.262 2.846 9.182 131 HA2 GLY 34 HA2 GLY 34 -24.423 2.913 11.354 132 HA3 GLY 34 HA3 GLY 34 -24.226 3.718 9.804 133 HA1 GLY 34 HA1 GLY 34 -25.246 3.143 11.578 134 H ALA 35 H ALA 35 -23.893 5.815 10.067 135 HA ALA 35 HA ALA 35 -25.759 7.433 11.527 136 HB1 ALA 35 HB1 ALA 35 -22.945 7.153 12.566 137 HB2 ALA 35 HB2 ALA 35 -24.063 8.430 13.045 138 HB3 ALA 35 HB3 ALA 35 -24.439 6.746 13.408 139 H ARG 36 H ARG 36 -22.314 7.765 10.663 140 HA ARG 36 HA ARG 36 -23.055 9.704 8.599 141 HB2 ARG 36 HB1 ARG 36 -21.444 10.226 11.052 142 HB3 ARG 36 HB2 ARG 36 -20.920 10.990 9.543 143 HG2 ARG 36 HG1 ARG 36 -23.663 11.457 9.635 144 HG3 ARG 36 HG2 ARG 36 -23.097 11.692 11.298 145 HD2 ARG 36 HD1 ARG 36 -21.196 13.090 10.197 146 HD3 ARG 36 HD2 ARG 36 -22.290 13.142 8.808 147 HE ARG 36 HE ARG 36 -22.593 14.539 11.304 148 HH11 ARG 36 HH11 ARG 36 -24.230 13.285 8.500 149 HH12 ARG 36 HH12 ARG 36 -25.568 14.378 8.630 150 HH21 ARG 36 HH21 ARG 36 -24.348 15.984 11.487 151 HH22 ARG 36 HH22 ARG 36 -25.633 15.914 10.329 152 H LYS 37 H LYS 37 -21.025 10.363 7.327 153 HA LYS 37 HA LYS 37 -18.787 8.613 7.302 154 HB2 LYS 37 HB1 LYS 37 -20.579 7.117 6.385 155 HB3 LYS 37 HB2 LYS 37 -20.743 8.244 5.028 156 HG2 LYS 37 HG1 LYS 37 -18.076 7.785 4.961 157 HG3 LYS 37 HG2 LYS 37 -18.673 6.233 5.573 158 HD2 LYS 37 HD1 LYS 37 -20.439 6.871 3.518 159 HD3 LYS 37 HD2 LYS 37 -18.849 7.359 2.906 160 HE2 LYS 37 HE1 LYS 37 -18.235 4.951 3.996 161 HE3 LYS 37 HE2 LYS 37 -19.910 4.674 3.497 162 HZ1 LYS 37 HZ1 LYS 37 -18.905 4.160 1.562 163 HZ2 LYS 37 HZ2 LYS 37 -17.543 5.115 1.865 164 HZ3 LYS 37 HZ3 LYS 37 -18.971 5.832 1.312 165 H GLY 38 H GLY 38 -18.117 10.931 7.393 166 HA2 GLY 38 HA2 GLY 38 -18.273 12.337 4.833 167 HA3 GLY 38 HA3 GLY 38 -17.667 12.997 6.344 168 HA1 GLY 38 HA1 GLY 38 -17.954 11.516 4.846 169 H SER 39 H SER 39 -15.883 13.796 5.053 170 HA SER 39 HA SER 39 -13.719 13.744 4.351 171 HB2 SER 39 HB1 SER 39 -13.163 11.014 5.348 172 HB3 SER 39 HB2 SER 39 -12.308 12.535 5.659 173 HG SER 39 HG SER 39 -13.397 11.671 7.521 174 H GLN 40 H GLN 40 -12.076 12.289 3.101 175 HA GLN 40 HA GLN 40 -13.605 10.874 1.025 176 HB2 GLN 40 HB1 GLN 40 -11.537 11.360 -0.399 177 HB3 GLN 40 HB2 GLN 40 -12.578 12.732 0.013 178 HG2 GLN 40 HG1 GLN 40 -10.261 12.118 1.785 179 HG3 GLN 40 HG2 GLN 40 -9.968 12.889 0.219 180 HE21 GLN 40 HE21 GLN 40 -10.097 13.643 3.265 181 HE22 GLN 40 HE22 GLN 40 -10.861 15.193 3.221 182 H CYS 41 H CYS 41 -10.755 10.743 3.076 183 HA CYS 41 HA CYS 41 -10.748 7.885 3.030 184 HB2 CYS 41 HB1 CYS 41 -8.647 7.477 1.984 185 HB3 CYS 41 HB2 CYS 41 -9.589 8.471 0.871 186 H LEU 42 H LEU 42 -9.613 7.021 4.736 187 HA LEU 42 HA LEU 42 -8.746 8.921 6.747 188 HB2 LEU 42 HB1 LEU 42 -9.876 6.306 6.724 189 HB3 LEU 42 HB2 LEU 42 -8.323 6.237 7.576 190 HG LEU 42 HG LEU 42 -9.700 8.487 8.582 191 HD11 LEU 42 HD11 LEU 42 -11.666 7.134 7.527 192 HD12 LEU 42 HD12 LEU 42 -11.820 7.804 9.151 193 HD13 LEU 42 HD13 LEU 42 -11.446 6.094 8.935 194 HD21 LEU 42 HD21 LEU 42 -9.339 5.769 9.835 195 HD22 LEU 42 HD22 LEU 42 -9.532 7.313 10.667 196 HD23 LEU 42 HD23 LEU 42 -8.073 6.992 9.728 197 H SER 43 H SER 43 -7.355 6.642 4.526 198 HA SER 43 HA SER 43 -4.772 7.693 4.715 199 HB2 SER 43 HB1 SER 43 -5.416 5.685 6.727 200 HB3 SER 43 HB2 SER 43 -4.056 5.186 5.706 201 HG SER 43 HG SER 43 -4.289 7.508 7.300 202 H ASP 44 H ASP 44 -3.120 5.850 3.865 203 HA ASP 44 HA ASP 44 -3.867 5.308 1.242 204 HB2 ASP 44 HB1 ASP 44 -1.898 3.641 1.333 205 HB3 ASP 44 HB2 ASP 44 -1.559 5.349 1.649 206 HD2 ASP 44 HD ASP 44 -0.766 2.761 4.443 207 H THR 45 H THR 45 -4.439 3.512 4.143 208 HA THR 45 HA THR 45 -4.805 0.938 3.160 209 HB THR 45 HB THR 45 -6.578 0.793 5.059 210 HG1 THR 45 HG1 THR 45 -6.571 2.511 6.472 211 HG21 THR 45 HG21 THR 45 -3.692 1.504 5.595 212 HG22 THR 45 HG22 THR 45 -4.346 -0.107 5.294 213 HG23 THR 45 HG23 THR 45 -4.779 0.759 6.768 214 H ASP 46 H ASP 46 -6.758 3.763 2.771 215 HA ASP 46 HA ASP 46 -9.215 2.489 2.156 216 HB2 ASP 46 HB1 ASP 46 -8.827 4.943 2.773 217 HB3 ASP 46 HB2 ASP 46 -8.335 5.168 1.090 218 HD2 ASP 46 HD ASP 46 -12.163 4.284 1.708 219 H CYS 47 H CYS 47 -6.318 3.073 0.361 220 HA CYS 47 HA CYS 47 -7.624 2.457 -2.181 221 HB2 CYS 47 HB1 CYS 47 -5.683 4.247 -1.615 222 HB3 CYS 47 HB2 CYS 47 -4.690 2.859 -2.068 223 H ASN 48 H ASN 48 -7.418 0.426 -0.134 224 HA ASN 48 HA ASN 48 -7.025 -1.816 -0.035 225 HB2 ASN 48 HB1 ASN 48 -6.771 -1.171 -2.826 226 HB3 ASN 48 HB2 ASN 48 -5.570 -2.395 -2.394 227 HD21 ASN 48 HD21 ASN 48 -6.243 -4.374 -2.723 228 HD22 ASN 48 HD22 ASN 48 -7.859 -4.953 -2.530 229 H THR 49 H THR 49 -4.226 -0.861 -2.004 230 HA THR 49 HA THR 49 -2.378 -0.620 0.088 231 HB THR 49 HB THR 49 -1.263 -2.968 -0.867 232 HG1 THR 49 HG1 THR 49 -2.964 -4.029 -1.599 233 HG21 THR 49 HG21 THR 49 -2.889 -3.109 1.613 234 HG22 THR 49 HG22 THR 49 -1.650 -1.857 1.525 235 HG23 THR 49 HG23 THR 49 -1.206 -3.553 1.336 236 H ARG 50 H ARG 50 -0.065 -0.832 -0.738 237 HA ARG 50 HA ARG 50 1.508 -0.044 -2.184 238 HB2 ARG 50 HB1 ARG 50 -0.167 -1.435 -4.284 239 HB3 ARG 50 HB2 ARG 50 1.563 -1.065 -4.367 240 HG2 ARG 50 HG1 ARG 50 2.080 -2.996 -3.414 241 HG3 ARG 50 HG2 ARG 50 1.047 -2.618 -2.025 242 HD2 ARG 50 HD1 ARG 50 -0.018 -4.502 -2.756 243 HD3 ARG 50 HD2 ARG 50 -0.870 -3.290 -3.720 244 HE ARG 50 HE ARG 50 1.238 -4.017 -5.286 245 HH11 ARG 50 HH11 ARG 50 -1.341 -5.732 -3.697 246 HH12 ARG 50 HH12 ARG 50 -1.408 -6.994 -4.882 247 HH21 ARG 50 HH21 ARG 50 1.161 -5.673 -6.853 248 HH22 ARG 50 HH22 ARG 50 0.016 -6.960 -6.676 249 H LYS 51 H LYS 51 -0.865 1.613 -1.694 250 HA LYS 51 HA LYS 51 -0.433 3.513 -3.834 251 HB2 LYS 51 HB1 LYS 51 -3.114 2.235 -3.308 252 HB3 LYS 51 HB2 LYS 51 -2.964 3.821 -4.081 253 HG2 LYS 51 HG1 LYS 51 -1.274 2.436 -5.634 254 HG3 LYS 51 HG2 LYS 51 -2.369 1.131 -5.143 255 HD2 LYS 51 HD1 LYS 51 -4.175 2.031 -6.225 256 HD3 LYS 51 HD2 LYS 51 -3.579 3.692 -6.049 257 HE2 LYS 51 HE1 LYS 51 -2.320 3.603 -7.946 258 HE3 LYS 51 HE2 LYS 51 -1.961 1.881 -7.739 259 HZ1 LYS 51 HZ1 LYS 51 -4.733 2.354 -8.259 260 HZ2 LYS 51 HZ2 LYS 51 -3.651 1.319 -9.046 261 HZ3 LYS 51 HZ3 LYS 51 -3.747 2.945 -9.501 262 H PHE 52 H PHE 52 -0.691 5.603 -3.182 263 HA PHE 52 HA PHE 52 -1.466 5.986 -0.371 264 HB2 PHE 52 HB1 PHE 52 -0.166 8.156 -0.598 265 HB3 PHE 52 HB2 PHE 52 0.786 6.671 -0.666 266 HD1 PHE 52 HD1 PHE 52 2.302 6.359 -2.372 267 HD2 PHE 52 HD2 PHE 52 -0.908 9.098 -2.927 268 HE1 PHE 52 HE1 PHE 52 3.264 7.044 -4.531 269 HE2 PHE 52 HE2 PHE 52 0.047 9.787 -5.086 270 HZ PHE 52 HZ PHE 52 2.135 8.758 -5.892 271 H CYS 53 H CYS 53 -2.825 7.689 0.217 272 HA CYS 53 HA CYS 53 -4.794 8.385 -1.753 273 HB2 CYS 53 HB1 CYS 53 -5.129 7.887 0.771 274 HB3 CYS 53 HB2 CYS 53 -4.651 9.569 1.006 275 H LEU 54 H LEU 54 -3.825 9.710 -3.268 276 HA LEU 54 HA LEU 54 -2.364 12.062 -2.492 277 HB2 LEU 54 HB1 LEU 54 -2.284 10.540 -4.686 278 HB3 LEU 54 HB2 LEU 54 -3.435 11.767 -5.242 279 HG LEU 54 HG LEU 54 -1.154 12.276 -5.951 280 HD11 LEU 54 HD11 LEU 54 -2.342 14.145 -3.912 281 HD12 LEU 54 HD12 LEU 54 -2.606 14.144 -5.655 282 HD13 LEU 54 HD13 LEU 54 -1.026 14.582 -5.003 283 HD21 LEU 54 HD21 LEU 54 0.010 13.165 -3.534 284 HD22 LEU 54 HD22 LEU 54 0.567 11.883 -4.609 285 HD23 LEU 54 HD23 LEU 54 -0.528 11.505 -3.279 286 H GLN 55 H GLN 55 -3.326 13.822 -1.741 287 HA GLN 55 HA GLN 55 -5.895 14.633 -2.930 288 HB2 GLN 55 HB1 GLN 55 -5.091 15.056 -0.045 289 HB3 GLN 55 HB2 GLN 55 -6.656 15.430 -0.785 290 HG2 GLN 55 HG1 GLN 55 -7.096 13.071 -1.146 291 HG3 GLN 55 HG2 GLN 55 -5.509 12.665 -0.477 292 HE21 GLN 55 HE21 GLN 55 -8.288 14.671 0.462 293 HE22 GLN 55 HE22 GLN 55 -8.370 14.093 2.088 294 HA PRO 56 HA PRO 56 -2.924 18.045 -3.642 295 HB2 PRO 56 HB1 PRO 56 -4.066 18.832 -6.004 296 HB3 PRO 56 HB2 PRO 56 -2.893 17.522 -5.878 297 HG2 PRO 56 HG1 PRO 56 -5.888 17.386 -5.984 298 HG3 PRO 56 HG2 PRO 56 -4.670 16.398 -6.872 299 HD2 PRO 56 HD1 PRO 56 -5.976 15.485 -4.675 300 HD3 PRO 56 HD2 PRO 56 -4.305 15.033 -5.052 301 H ARG 57 H ARG 57 -3.201 20.270 -3.436 302 HA ARG 57 HA ARG 57 -5.699 21.082 -2.231 303 HB2 ARG 57 HB1 ARG 57 -3.230 22.743 -2.785 304 HB3 ARG 57 HB2 ARG 57 -4.553 23.142 -1.680 305 HG2 ARG 57 HG1 ARG 57 -3.469 22.154 -0.024 306 HG3 ARG 57 HG2 ARG 57 -3.566 20.617 -0.899 307 HD2 ARG 57 HD1 ARG 57 -1.459 22.585 -1.691 308 HD3 ARG 57 HD2 ARG 57 -1.243 21.646 -0.207 309 HE ARG 57 HE ARG 57 -1.034 20.683 -2.894 310 HH11 ARG 57 HH11 ARG 57 -1.790 19.789 0.385 311 HH12 ARG 57 HH12 ARG 57 -1.384 18.120 0.162 312 HH21 ARG 57 HH21 ARG 57 -0.496 18.488 -3.201 313 HH22 ARG 57 HH22 ARG 57 -0.647 17.381 -1.878 314 H ASP 58 H ASP 58 -3.828 21.867 -5.127 315 HA ASP 58 HA ASP 58 -5.721 23.833 -6.035 316 HB2 ASP 58 HB1 ASP 58 -3.121 23.517 -6.546 317 HB3 ASP 58 HB2 ASP 58 -3.766 22.596 -7.913 318 HD2 ASP 58 HD ASP 58 -5.451 25.659 -8.954 319 H GLU 59 H GLU 59 -5.327 20.422 -6.330 320 HA GLU 59 HA GLU 59 -7.484 20.354 -8.339 321 HB2 GLU 59 HB1 GLU 59 -4.910 19.130 -8.374 322 HB3 GLU 59 HB2 GLU 59 -6.123 17.849 -8.228 323 HG2 GLU 59 HG1 GLU 59 -6.366 17.956 -10.429 324 HG3 GLU 59 HG2 GLU 59 -7.158 19.517 -10.174 325 HE2 GLU 59 HE GLU 59 -3.745 19.477 -12.020 326 H LYS 60 H LYS 60 -8.441 17.927 -8.242 327 HA LYS 60 HA LYS 60 -9.599 17.747 -5.583 328 HB2 LYS 60 HB1 LYS 60 -10.284 16.707 -8.296 329 HB3 LYS 60 HB2 LYS 60 -10.891 15.822 -6.886 330 HG2 LYS 60 HG1 LYS 60 -12.404 17.399 -6.371 331 HG3 LYS 60 HG2 LYS 60 -11.301 18.725 -6.781 332 HD2 LYS 60 HD1 LYS 60 -12.438 17.022 -8.969 333 HD3 LYS 60 HD2 LYS 60 -13.431 18.293 -8.235 334 HE2 LYS 60 HE1 LYS 60 -11.504 19.890 -8.686 335 HE3 LYS 60 HE2 LYS 60 -10.803 18.596 -9.671 336 HZ1 LYS 60 HZ1 LYS 60 -12.482 20.453 -10.606 337 HZ2 LYS 60 HZ2 LYS 60 -13.571 19.207 -10.257 338 HZ3 LYS 60 HZ3 LYS 60 -12.276 18.928 -11.309 339 HA PRO 61 HA PRO 61 -7.414 14.216 -4.165 340 HB2 PRO 61 HB1 PRO 61 -9.372 12.770 -2.911 341 HB3 PRO 61 HB2 PRO 61 -8.720 14.280 -2.276 342 HG2 PRO 61 HG1 PRO 61 -11.214 13.806 -3.874 343 HG3 PRO 61 HG2 PRO 61 -10.980 14.816 -2.398 344 HD2 PRO 61 HD1 PRO 61 -11.110 15.876 -4.893 345 HD3 PRO 61 HD2 PRO 61 -10.092 16.561 -3.615 346 H PHE 62 H PHE 62 -6.775 12.230 -4.846 347 HA PHE 62 HA PHE 62 -8.555 10.408 -6.172 348 HB2 PHE 62 HB1 PHE 62 -7.125 10.359 -8.283 349 HB3 PHE 62 HB2 PHE 62 -8.217 11.734 -8.099 350 HD1 PHE 62 HD1 PHE 62 -7.402 13.820 -8.576 351 HD2 PHE 62 HD2 PHE 62 -4.707 10.819 -7.218 352 HE1 PHE 62 HE1 PHE 62 -5.523 15.383 -8.860 353 HE2 PHE 62 HE2 PHE 62 -2.824 12.377 -7.500 354 HZ PHE 62 HZ PHE 62 -3.231 14.663 -8.321 355 H CYS 63 H CYS 63 -7.547 8.366 -6.663 356 HA CYS 63 HA CYS 63 -5.382 7.780 -4.825 357 HB2 CYS 63 HB1 CYS 63 -7.551 6.308 -6.089 358 HB3 CYS 63 HB2 CYS 63 -6.022 5.435 -6.193 359 H ALA 64 H ALA 64 -3.336 7.908 -5.440 360 HA ALA 64 HA ALA 64 -2.675 7.402 -8.266 361 HB1 ALA 64 HB1 ALA 64 -1.759 9.435 -8.138 362 HB2 ALA 64 HB2 ALA 64 -1.816 9.447 -6.375 363 HB3 ALA 64 HB3 ALA 64 -0.477 8.657 -7.209 364 H THR 65 H THR 65 -0.731 6.254 -8.741 365 HA THR 65 HA THR 65 -0.172 4.174 -6.784 366 HB THR 65 HB THR 65 -0.627 3.550 -9.137 367 HG1 THR 65 HG1 THR 65 0.600 2.084 -8.008 368 HG21 THR 65 HG21 THR 65 2.058 4.339 -10.046 369 HG22 THR 65 HG22 THR 65 0.924 5.671 -9.819 370 HG23 THR 65 HG23 THR 65 0.520 4.346 -10.909 371 H CYS 66 H CYS 66 2.189 3.392 -6.742 372 HA CYS 66 HA CYS 66 3.788 5.570 -5.777 373 HB2 CYS 66 HB1 CYS 66 5.366 3.897 -5.084 374 HB3 CYS 66 HB2 CYS 66 3.744 3.313 -4.711 375 H ARG 67 H ARG 67 6.187 5.609 -6.407 376 HA ARG 67 HA ARG 67 6.339 5.646 -9.343 377 HB2 ARG 67 HB1 ARG 67 8.025 7.169 -7.343 378 HB3 ARG 67 HB2 ARG 67 8.062 7.347 -9.102 379 HG2 ARG 67 HG1 ARG 67 5.688 7.973 -7.344 380 HG3 ARG 67 HG2 ARG 67 6.829 9.160 -8.000 381 HD2 ARG 67 HD1 ARG 67 6.206 8.557 -10.278 382 HD3 ARG 67 HD2 ARG 67 5.120 7.307 -9.655 383 HE ARG 67 HE ARG 67 4.406 9.793 -8.547 384 HH11 ARG 67 HH11 ARG 67 4.346 8.066 -11.569 385 HH12 ARG 67 HH12 ARG 67 2.956 8.907 -12.171 386 HH21 ARG 67 HH21 ARG 67 2.576 10.907 -9.328 387 HH22 ARG 67 HH22 ARG 67 1.950 10.523 -10.896 388 H GLY 68 H GLY 68 8.641 5.374 -10.193 389 HA2 GLY 68 HA2 GLY 68 9.577 2.806 -9.382 390 HA3 GLY 68 HA3 GLY 68 10.313 3.844 -10.595 391 HA1 GLY 68 HA1 GLY 68 9.446 3.367 -8.713 392 H LEU 69 H LEU 69 12.332 3.018 -9.669 393 HA LEU 69 HA LEU 69 13.047 3.886 -7.009 394 HB2 LEU 69 HB1 LEU 69 14.538 2.494 -9.228 395 HB3 LEU 69 HB2 LEU 69 15.330 3.020 -7.732 396 HG LEU 69 HG LEU 69 13.092 1.007 -7.944 397 HD11 LEU 69 HD11 LEU 69 16.051 0.809 -7.747 398 HD12 LEU 69 HD12 LEU 69 14.905 -0.197 -8.632 399 HD13 LEU 69 HD13 LEU 69 15.070 -0.377 -6.885 400 HD21 LEU 69 HD21 LEU 69 14.521 2.218 -5.598 401 HD22 LEU 69 HD22 LEU 69 13.752 0.633 -5.504 402 HD23 LEU 69 HD23 LEU 69 12.787 2.062 -5.876 403 H ARG 70 H ARG 70 14.289 4.572 -10.285 404 HA ARG 70 HA ARG 70 16.038 6.616 -9.596 405 HB2 ARG 70 HB1 ARG 70 14.547 5.898 -12.092 406 HB3 ARG 70 HB2 ARG 70 15.429 7.431 -12.025 407 HG2 ARG 70 HG1 ARG 70 17.334 6.399 -12.475 408 HG3 ARG 70 HG2 ARG 70 17.131 5.371 -11.047 409 HD2 ARG 70 HD1 ARG 70 16.052 3.680 -12.253 410 HD3 ARG 70 HD2 ARG 70 15.661 4.772 -13.588 411 HE ARG 70 HE ARG 70 18.414 4.658 -13.490 412 HH11 ARG 70 HH11 ARG 70 15.792 2.413 -13.945 413 HH12 ARG 70 HH12 ARG 70 16.712 1.341 -14.947 414 HH21 ARG 70 HH21 ARG 70 19.636 3.253 -14.807 415 HH22 ARG 70 HH22 ARG 70 18.898 1.819 -15.436 416 H ARG 71 H ARG 71 12.581 6.629 -9.849 417 HA ARG 71 HA ARG 71 12.102 9.358 -10.233 418 HB2 ARG 71 HB1 ARG 71 10.584 7.043 -9.187 419 HB3 ARG 71 HB2 ARG 71 10.008 8.635 -8.675 420 HG2 ARG 71 HG1 ARG 71 10.569 8.212 -11.570 421 HG3 ARG 71 HG2 ARG 71 9.113 7.484 -10.868 422 HD2 ARG 71 HD1 ARG 71 8.741 9.869 -9.853 423 HD3 ARG 71 HD2 ARG 71 9.843 10.369 -11.143 424 HE ARG 71 HE ARG 71 7.845 8.754 -12.261 425 HH11 ARG 71 HH11 ARG 71 8.222 11.878 -10.771 426 HH12 ARG 71 HH12 ARG 71 6.901 12.594 -11.635 427 HH21 ARG 71 HH21 ARG 71 6.104 9.686 -13.403 428 HH22 ARG 71 HH22 ARG 71 5.696 11.345 -13.130 429 H ARG 72 H ARG 72 11.744 11.065 -8.817 430 HA ARG 72 HA ARG 72 13.281 10.961 -6.383 431 HB2 ARG 72 HB1 ARG 72 11.594 13.243 -7.425 432 HB3 ARG 72 HB2 ARG 72 12.916 13.334 -6.252 433 HG2 ARG 72 HG1 ARG 72 14.118 12.179 -8.448 434 HG3 ARG 72 HG2 ARG 72 13.000 13.357 -9.154 435 HD2 ARG 72 HD1 ARG 72 14.626 14.255 -6.830 436 HD3 ARG 72 HD2 ARG 72 15.467 14.002 -8.367 437 HE ARG 72 HE ARG 72 13.330 15.510 -9.071 438 HH11 ARG 72 HH11 ARG 72 15.818 15.841 -6.659 439 HH12 ARG 72 HH12 ARG 72 15.802 17.574 -6.692 440 HH21 ARG 72 HH21 ARG 72 13.299 17.791 -9.124 441 HH22 ARG 72 HH22 ARG 72 14.368 18.681 -8.093 442 H CYS 73 H CYS 73 12.490 11.532 -4.292 443 HA CYS 73 HA CYS 73 9.598 11.355 -3.896 444 HB2 CYS 73 HB1 CYS 73 9.939 9.726 -2.030 445 HB3 CYS 73 HB2 CYS 73 10.280 9.067 -3.631 446 H GLN 74 H GLN 74 8.925 12.013 -1.730 447 HA GLN 74 HA GLN 74 10.860 13.869 -0.509 448 HB2 GLN 74 HB1 GLN 74 8.199 14.291 -1.506 449 HB3 GLN 74 HB2 GLN 74 8.234 14.607 0.236 450 HG2 GLN 74 HG1 GLN 74 10.179 15.825 -1.719 451 HG3 GLN 74 HG2 GLN 74 8.667 16.593 -1.217 452 HE21 GLN 74 HE21 GLN 74 8.868 18.012 0.346 453 HE22 GLN 74 HE22 GLN 74 10.068 18.003 1.589 454 H ARG 75 H ARG 75 8.586 11.308 0.008 455 HA ARG 75 HA ARG 75 9.385 11.220 2.831 456 HB2 ARG 75 HB1 ARG 75 6.569 10.621 1.914 457 HB3 ARG 75 HB2 ARG 75 7.164 10.775 3.575 458 HG2 ARG 75 HG1 ARG 75 7.541 13.157 3.261 459 HG3 ARG 75 HG2 ARG 75 7.013 13.021 1.575 460 HD2 ARG 75 HD1 ARG 75 4.792 12.703 2.139 461 HD3 ARG 75 HD2 ARG 75 5.195 12.086 3.747 462 HE ARG 75 HE ARG 75 5.122 14.224 4.544 463 HH11 ARG 75 HH11 ARG 75 5.443 14.324 1.079 464 HH12 ARG 75 HH12 ARG 75 5.241 16.042 0.979 465 HH21 ARG 75 HH21 ARG 75 4.856 16.487 4.426 466 HH22 ARG 75 HH22 ARG 75 4.908 17.271 2.884 467 H ASP 76 H ASP 76 8.703 9.039 3.813 468 HA ASP 76 HA ASP 76 9.875 6.981 2.219 469 HB2 ASP 76 HB1 ASP 76 9.221 5.515 4.199 470 HB3 ASP 76 HB2 ASP 76 10.314 6.862 4.542 471 HD2 ASP 76 HD ASP 76 7.943 8.497 6.480 472 H ALA 77 H ALA 77 6.616 7.422 3.592 473 HA ALA 77 HA ALA 77 5.468 5.160 2.378 474 HB1 ALA 77 HB1 ALA 77 4.592 6.715 4.282 475 HB2 ALA 77 HB2 ALA 77 3.836 7.592 2.950 476 HB3 ALA 77 HB3 ALA 77 3.453 5.891 3.217 477 H MET 78 H MET 78 6.200 8.318 1.161 478 HA MET 78 HA MET 78 4.403 8.594 -0.924 479 HB2 MET 78 HB1 MET 78 7.133 9.567 -0.335 480 HB3 MET 78 HB2 MET 78 6.656 9.612 -2.040 481 HG2 MET 78 HG1 MET 78 4.454 10.674 -0.787 482 HG3 MET 78 HG2 MET 78 5.795 11.279 0.188 483 HE1 MET 78 HE1 MET 78 6.093 11.425 -4.283 484 HE2 MET 78 HE2 MET 78 5.211 10.252 -3.306 485 HE3 MET 78 HE3 MET 78 4.407 11.722 -3.858 486 H CYS 79 H CYS 79 7.134 6.459 -0.624 487 HA CYS 79 HA CYS 79 6.799 5.598 -3.415 488 HB2 CYS 79 HB1 CYS 79 9.091 6.277 -2.226 489 HB3 CYS 79 HB2 CYS 79 9.042 4.583 -1.737 490 H CYS 80 H CYS 80 6.817 3.305 -3.872 491 HA CYS 80 HA CYS 80 4.949 1.843 -2.459 492 HB2 CYS 80 HB1 CYS 80 6.891 1.310 -4.593 493 HB3 CYS 80 HB2 CYS 80 6.504 -0.114 -3.626 494 HA PRO 81 HA PRO 81 6.907 0.054 1.035 495 HB2 PRO 81 HB1 PRO 81 5.856 -2.474 1.075 496 HB3 PRO 81 HB2 PRO 81 4.928 -1.029 1.472 497 HG2 PRO 81 HG1 PRO 81 5.078 -2.542 -1.113 498 HG3 PRO 81 HG2 PRO 81 3.631 -1.899 -0.251 499 HD2 PRO 81 HD1 PRO 81 4.739 -0.647 -2.391 500 HD3 PRO 81 HD2 PRO 81 3.978 0.233 -1.053 501 H GLY 82 H GLY 82 8.638 -1.210 1.690 502 HA2 GLY 82 HA2 GLY 82 10.186 -3.007 1.437 503 HA3 GLY 82 HA3 GLY 82 9.787 -3.067 -0.274 504 HA1 GLY 82 HA1 GLY 82 10.172 -2.140 1.599 505 H THR 83 H THR 83 9.992 -0.004 -0.216 506 HA THR 83 HA THR 83 12.933 0.099 -0.392 507 HB THR 83 HB THR 83 12.608 1.912 -2.083 508 HG1 THR 83 HG1 THR 83 10.245 2.086 -1.296 509 HG21 THR 83 HG21 THR 83 12.904 0.291 -3.582 510 HG22 THR 83 HG22 THR 83 11.194 -0.131 -3.502 511 HG23 THR 83 HG23 THR 83 12.341 -0.884 -2.394 512 H LEU 84 H LEU 84 13.710 2.486 -0.329 513 HA LEU 84 HA LEU 84 12.203 4.009 1.677 514 HB2 LEU 84 HB1 LEU 84 14.818 2.741 1.975 515 HB3 LEU 84 HB2 LEU 84 14.833 4.475 2.344 516 HG LEU 84 HG LEU 84 12.683 3.708 3.782 517 HD11 LEU 84 HD11 LEU 84 14.576 1.410 4.143 518 HD12 LEU 84 HD12 LEU 84 13.207 1.317 3.035 519 HD13 LEU 84 HD13 LEU 84 12.932 1.601 4.754 520 HD21 LEU 84 HD21 LEU 84 15.589 3.937 4.411 521 HD22 LEU 84 HD22 LEU 84 14.472 3.412 5.672 522 HD23 LEU 84 HD23 LEU 84 14.246 4.976 4.889 523 H CYS 85 H CYS 85 12.954 6.270 1.869 524 HA CYS 85 HA CYS 85 13.586 7.319 -0.778 525 HB2 CYS 85 HB1 CYS 85 11.638 8.119 0.710 526 HB3 CYS 85 HB2 CYS 85 12.876 8.961 1.644 527 H VAL 86 H VAL 86 15.722 7.367 -1.156 528 HA VAL 86 HA VAL 86 17.448 8.594 0.897 529 HB VAL 86 HB VAL 86 18.266 6.594 -1.214 530 HG11 VAL 86 HG11 VAL 86 19.782 8.479 0.230 531 HG12 VAL 86 HG12 VAL 86 20.128 6.897 0.932 532 HG13 VAL 86 HG13 VAL 86 20.368 7.168 -0.794 533 HG21 VAL 86 HG21 VAL 86 18.767 5.307 1.047 534 HG22 VAL 86 HG22 VAL 86 17.441 6.316 1.626 535 HG23 VAL 86 HG23 VAL 86 17.189 5.226 0.262 536 H ASN 87 H ASN 87 18.521 10.390 0.355 537 HA ASN 87 HA ASN 87 19.181 12.212 -0.837 538 HB2 ASN 87 HB1 ASN 87 20.607 10.259 -1.795 539 HB3 ASN 87 HB2 ASN 87 19.575 10.423 -3.220 540 HD21 ASN 87 HD21 ASN 87 21.383 12.524 -1.001 541 HD22 ASN 87 HD22 ASN 87 22.044 13.539 -2.233 542 H ASP 88 H ASP 88 16.396 11.676 -0.825 543 HA ASP 88 HA ASP 88 14.475 12.433 -1.783 544 HB2 ASP 88 HB1 ASP 88 16.060 13.878 -3.887 545 HB3 ASP 88 HB2 ASP 88 14.564 14.368 -3.083 546 HD2 ASP 88 HD ASP 88 17.915 15.598 -1.585 547 H VAL 89 H VAL 89 15.858 10.000 -2.755 548 HA VAL 89 HA VAL 89 14.327 9.702 -5.233 549 HB VAL 89 HB VAL 89 17.207 8.834 -4.943 550 HG11 VAL 89 HG11 VAL 89 16.219 7.165 -6.228 551 HG12 VAL 89 HG12 VAL 89 15.120 8.294 -7.023 552 HG13 VAL 89 HG13 VAL 89 16.835 8.293 -7.435 553 HG21 VAL 89 HG21 VAL 89 15.960 10.890 -6.765 554 HG22 VAL 89 HG22 VAL 89 16.954 11.238 -5.350 555 HG23 VAL 89 HG23 VAL 89 17.658 10.415 -6.742 556 H CYS 90 H CYS 90 13.439 7.698 -5.534 557 HA CYS 90 HA CYS 90 13.096 6.051 -3.267 558 HB2 CYS 90 HB1 CYS 90 12.387 5.770 -6.179 559 HB3 CYS 90 HB2 CYS 90 12.085 4.453 -5.043 560 H THR 91 H THR 91 14.747 4.939 -2.431 561 HA THR 91 HA THR 91 16.403 3.331 -4.265 562 HB THR 91 HB THR 91 17.225 4.362 -1.545 563 HG1 THR 91 HG1 THR 91 17.551 5.387 -4.152 564 HG21 THR 91 HG21 THR 91 19.433 3.598 -2.133 565 HG22 THR 91 HG22 THR 91 18.885 3.122 -3.739 566 HG23 THR 91 HG23 THR 91 18.306 2.255 -2.317 567 H THR 92 H THR 92 16.437 1.187 -3.979 568 HA THR 92 HA THR 92 14.611 -0.097 -2.277 569 HB THR 92 HB THR 92 16.725 -1.905 -2.958 570 HG1 THR 92 HG1 THR 92 17.436 -0.976 -4.722 571 HG21 THR 92 HG21 THR 92 15.013 -3.136 -3.850 572 HG22 THR 92 HG22 THR 92 14.217 -1.725 -4.549 573 HG23 THR 92 HG23 THR 92 14.081 -2.050 -2.821 574 H MET 93 H MET 93 14.969 -1.471 -0.472 575 HA MET 93 HA MET 93 16.652 -0.395 1.505 576 HB2 MET 93 HB1 MET 93 14.518 -2.115 1.477 577 HB3 MET 93 HB2 MET 93 15.854 -3.191 1.910 578 HG2 MET 93 HG1 MET 93 16.313 -1.042 3.543 579 HG3 MET 93 HG2 MET 93 14.550 -1.097 3.469 580 HE1 MET 93 HE1 MET 93 15.525 -1.406 6.270 581 HE2 MET 93 HE2 MET 93 13.866 -1.763 5.790 582 HE3 MET 93 HE3 MET 93 14.753 -2.898 6.809 583 H GLU 94 H GLU 94 17.006 -3.188 -0.626 584 HA GLU 94 HA GLU 94 19.228 -4.390 0.509 585 HB2 GLU 94 HB1 GLU 94 18.525 -4.112 -2.422 586 HB3 GLU 94 HB2 GLU 94 19.719 -5.245 -1.768 587 HG2 GLU 94 HG1 GLU 94 18.067 -6.502 -0.634 588 HG3 GLU 94 HG2 GLU 94 16.841 -5.258 -0.916 589 HE2 GLU 94 HE GLU 94 16.891 -6.263 -4.425 590 H ASP 95 H ASP 95 19.010 -1.517 -1.473 591 HA ASP 95 HA ASP 95 21.891 -1.308 -1.750 592 HB2 ASP 95 HB1 ASP 95 19.526 0.205 -2.787 593 HB3 ASP 95 HB2 ASP 95 21.094 1.018 -2.736 594 HD2 ASP 95 HD ASP 95 21.988 -0.509 -5.650 595 H ALA 96 H ALA 96 19.272 0.506 -0.174 596 HA ALA 96 HA ALA 96 21.120 2.260 1.172 597 HB1 ALA 96 HB1 ALA 96 19.137 3.218 2.218 598 HB2 ALA 96 HB2 ALA 96 18.918 3.063 0.474 599 HB3 ALA 96 HB3 ALA 96 18.150 1.910 1.565 600 H THR 97 H THR 97 22.419 0.851 2.389 601 HA THR 97 HA THR 97 21.227 0.063 4.923 602 HB THR 97 HB THR 97 22.789 -1.935 3.276 603 HG1 THR 97 HG1 THR 97 20.880 -2.862 2.815 604 HG21 THR 97 HG21 THR 97 21.316 -3.032 5.479 605 HG22 THR 97 HG22 THR 97 22.373 -1.742 6.055 606 HG23 THR 97 HG23 THR 97 23.048 -3.100 5.156 607 H GLU 98 H GLU 98 24.281 -0.611 3.204 608 HA GLU 98 HA GLU 98 25.731 1.167 4.972 609 HB2 GLU 98 HB1 GLU 98 27.338 -0.637 5.643 610 HB3 GLU 98 HB2 GLU 98 25.726 -0.781 6.360 611 HG2 GLU 98 HG1 GLU 98 25.223 -2.687 5.235 612 HG3 GLU 98 HG2 GLU 98 26.203 -2.238 3.832 613 HE2 GLU 98 HE GLU 98 27.907 -4.283 6.752 614 H ASN 99 H ASN 99 28.108 1.175 4.410 615 HA ASN 99 HA ASN 99 28.346 1.184 1.514 616 HB2 ASN 99 HB1 ASN 99 29.595 2.587 3.747 617 HB3 ASN 99 HB2 ASN 99 30.782 2.017 2.568 618 HD21 ASN 99 HD21 ASN 99 27.764 3.821 2.852 619 HD22 ASN 99 HD22 ASN 99 28.051 4.859 1.502 620 H LEU 100 H LEU 100 30.106 0.203 0.392 621 HA LEU 100 HA LEU 100 31.037 -2.259 1.697 622 HB2 LEU 100 HB1 LEU 100 31.557 -2.942 -0.706 623 HB3 LEU 100 HB2 LEU 100 29.854 -2.833 -0.228 624 HG LEU 100 HG LEU 100 31.043 -0.434 -1.501 625 HD11 LEU 100 HD11 LEU 100 30.230 -1.751 -3.703 626 HD12 LEU 100 HD12 LEU 100 30.928 -3.083 -2.783 627 HD13 LEU 100 HD13 LEU 100 31.910 -1.671 -3.171 628 HD21 LEU 100 HD21 LEU 100 28.896 0.038 -2.015 629 HD22 LEU 100 HD22 LEU 100 28.562 -1.084 -0.696 630 HD23 LEU 100 HD23 LEU 100 28.495 -1.642 -2.368 631 H TYR 101 H TYR 101 33.180 -2.800 1.776 632 HA TYR 101 HA TYR 101 35.149 -1.102 0.472 633 HB2 TYR 101 HB1 TYR 101 36.388 -0.724 2.595 634 HB3 TYR 101 HB2 TYR 101 34.822 0.090 2.547 635 HD1 TYR 101 HD1 TYR 101 33.109 -0.406 4.115 636 HD2 TYR 101 HD2 TYR 101 36.618 -2.809 3.974 637 HE1 TYR 101 HE1 TYR 101 32.455 -1.475 6.232 638 HE2 TYR 101 HE2 TYR 101 35.973 -3.885 6.089 639 HH TYR 101 HH TYR 101 33.921 -2.720 8.194 640 H PHE 102 H PHE 102 37.448 -1.932 1.410 641 HA PHE 102 HA PHE 102 37.353 -4.871 1.239 642 HB2 PHE 102 HB1 PHE 102 39.442 -4.833 0.018 643 HB3 PHE 102 HB2 PHE 102 38.274 -3.791 -0.797 644 HD1 PHE 102 HD1 PHE 102 41.424 -3.908 1.001 645 HD2 PHE 102 HD2 PHE 102 38.479 -1.350 -0.704 646 HE1 PHE 102 HE1 PHE 102 43.011 -2.029 1.086 647 HE2 PHE 102 HE2 PHE 102 40.062 0.533 -0.622 648 HZ PHE 102 HZ PHE 102 42.332 0.193 0.273 649 H GLN 103 H GLN 103 38.573 -6.049 2.643 650 HA GLN 103 HA GLN 103 39.659 -4.609 4.922 651 HB2 GLN 103 HB1 GLN 103 38.141 -6.782 4.879 652 HB3 GLN 103 HB2 GLN 103 39.712 -7.586 4.743 653 HG2 GLN 103 HG1 GLN 103 40.378 -6.988 6.847 654 HG3 GLN 103 HG2 GLN 103 39.356 -5.544 6.869 655 HE21 GLN 103 HE21 GLN 103 39.638 -8.792 7.770 656 HE22 GLN 103 HE22 GLN 103 38.049 -9.006 8.414 657 H SER 104 H SER 104 41.751 -4.241 5.232 658 HA SER 104 HA SER 104 43.689 -5.053 3.308 659 HB2 SER 104 HB1 SER 104 45.084 -3.539 4.303 660 HB3 SER 104 HB2 SER 104 43.555 -2.961 4.987 661 HG SER 104 HG SER 104 45.682 -4.091 6.243 662 H LEU 105 H LEU 105 45.925 -5.826 4.370 663 HA LEU 105 HA LEU 105 45.314 -8.445 5.506 664 HB2 LEU 105 HB1 LEU 105 47.956 -7.394 4.484 665 HB3 LEU 105 HB2 LEU 105 47.539 -9.077 4.849 666 HG LEU 105 HG LEU 105 45.700 -8.596 2.968 667 HD11 LEU 105 HD11 LEU 105 46.149 -6.416 2.345 668 HD12 LEU 105 HD12 LEU 105 47.057 -7.343 1.150 669 HD13 LEU 105 HD13 LEU 105 47.894 -6.614 2.522 670 HD21 LEU 105 HD21 LEU 105 47.045 -9.839 1.494 671 HD22 LEU 105 HD22 LEU 105 47.540 -10.345 3.109 672 HD23 LEU 105 HD23 LEU 105 48.537 -9.213 2.195 673 H GLU 106 H GLU 106 46.505 -9.296 7.295 674 HA GLU 106 HA GLU 106 47.847 -7.312 8.987 675 HB2 GLU 106 HB1 GLU 106 46.622 -7.989 10.951 676 HB3 GLU 106 HB2 GLU 106 45.476 -7.484 9.700 677 HG2 GLU 106 HG1 GLU 106 45.157 -9.892 9.112 678 HG3 GLU 106 HG2 GLU 106 46.142 -10.296 10.527 679 HE2 GLU 106 HE GLU 106 42.949 -8.372 11.750 680 H HIS 107 H HIS 107 49.569 -8.076 10.099 681 HA HIS 107 HA HIS 107 50.267 -10.892 9.663 682 HB2 HIS 107 HB1 HIS 107 51.755 -8.394 9.691 683 HB3 HIS 107 HB2 HIS 107 52.482 -9.592 10.767 684 HD1 HIS 107 HD1 HIS 107 51.886 -8.873 7.166 685 HD2 HIS 107 HD2 HIS 107 53.528 -11.888 9.505 686 HE1 HIS 107 HE1 HIS 107 53.136 -10.358 5.568 687 HE2 HIS 107 HE2 HIS 107 54.139 -12.202 6.996 688 H HIS 108 H HIS 108 51.741 -11.779 11.494 689 HA HIS 108 HA HIS 108 50.882 -10.923 14.144 690 HB2 HIS 108 HB1 HIS 108 50.033 -13.424 12.802 691 HB3 HIS 108 HB2 HIS 108 50.569 -13.591 14.478 692 HD1 HIS 108 HD1 HIS 108 47.656 -12.722 12.512 693 HD2 HIS 108 HD2 HIS 108 49.078 -11.826 16.312 694 HE1 HIS 108 HE1 HIS 108 45.669 -11.857 13.787 695 HE2 HIS 108 HE2 HIS 108 46.536 -11.309 16.110 696 H HIS 109 H HIS 109 51.937 -12.564 15.812 697 HA HIS 109 HA HIS 109 54.775 -12.522 15.198 698 HB2 HIS 109 HB1 HIS 109 55.106 -13.004 17.565 699 HB3 HIS 109 HB2 HIS 109 53.989 -11.652 17.361 700 HD1 HIS 109 HD1 HIS 109 51.754 -11.834 18.459 701 HD2 HIS 109 HD2 HIS 109 53.724 -15.486 18.271 702 HE1 HIS 109 HE1 HIS 109 50.349 -13.426 19.808 703 HE2 HIS 109 HE2 HIS 109 51.553 -15.659 19.693 704 H HIS 110 H HIS 110 56.162 -14.357 15.619 705 HA HIS 110 HA HIS 110 54.799 -16.951 15.326 706 HB2 HIS 110 HB1 HIS 110 57.365 -16.133 13.942 707 HB3 HIS 110 HB2 HIS 110 56.523 -17.677 13.767 708 HD1 HIS 110 HD1 HIS 110 54.427 -17.747 12.275 709 HD2 HIS 110 HD2 HIS 110 56.204 -14.000 12.509 710 HE1 HIS 110 HE1 HIS 110 53.361 -16.382 10.452 711 HE2 HIS 110 HE2 HIS 110 54.448 -14.092 10.592 712 H HIS 111 H HIS 111 55.749 -18.713 16.337 713 HA HIS 111 HA HIS 111 57.545 -18.031 18.519 714 HB2 HIS 111 HB1 HIS 111 57.062 -20.300 19.346 715 HB3 HIS 111 HB2 HIS 111 55.584 -19.386 19.033 716 HD1 HIS 111 HD1 HIS 111 57.625 -22.203 17.582 717 HD2 HIS 111 HD2 HIS 111 53.869 -20.475 17.173 718 HE1 HIS 111 HE1 HIS 111 56.325 -23.763 16.098 719 HE2 HIS 111 HE2 HIS 111 54.029 -22.707 15.847 720 H HIS 112 H HIS 112 59.622 -18.676 18.718 721 HA HIS 112 HA HIS 112 61.679 -19.453 18.142 722 HB2 HIS 112 HB1 HIS 112 59.878 -21.610 17.789 723 HB3 HIS 112 HB2 HIS 112 60.991 -21.647 16.419 724 HD1 HIS 112 HD1 HIS 112 61.824 -20.734 20.008 725 HD2 HIS 112 HD2 HIS 112 62.724 -23.613 17.150 726 HE1 HIS 112 HE1 HIS 112 63.637 -22.148 21.025 727 HE2 HIS 112 HE2 HIS 112 64.187 -23.908 19.279 Start of MODEL 45 1 H1 MET 18 H MET 18 8.960 -7.007 49.092 2 HA MET 18 HA MET 18 9.096 -4.874 50.284 3 HB2 MET 18 HB1 MET 18 10.507 -4.020 47.744 4 HB3 MET 18 HB2 MET 18 10.079 -2.951 49.086 5 HG2 MET 18 HG1 MET 18 11.700 -5.329 49.776 6 HG3 MET 18 HG2 MET 18 12.488 -4.081 48.808 7 HE1 MET 18 HE1 MET 18 13.611 -1.989 49.875 8 HE2 MET 18 HE2 MET 18 13.981 -2.192 51.587 9 HE3 MET 18 HE3 MET 18 14.264 -3.519 50.460 10 H LEU 19 H LEU 19 8.372 -5.580 46.926 11 HA LEU 19 HA LEU 19 5.721 -4.430 47.281 12 HB2 LEU 19 HB1 LEU 19 7.799 -3.126 45.810 13 HB3 LEU 19 HB2 LEU 19 6.545 -3.671 44.682 14 HG LEU 19 HG LEU 19 5.329 -2.375 46.940 15 HD11 LEU 19 HD11 LEU 19 6.213 -0.072 46.312 16 HD12 LEU 19 HD12 LEU 19 7.578 -0.919 45.586 17 HD13 LEU 19 HD13 LEU 19 7.253 -1.088 47.311 18 HD21 LEU 19 HD21 LEU 19 4.072 -1.352 45.317 19 HD22 LEU 19 HD22 LEU 19 4.632 -2.778 44.442 20 HD23 LEU 19 HD23 LEU 19 5.426 -1.222 44.194 21 H VAL 20 H VAL 20 4.253 -5.013 45.479 22 HA VAL 20 HA VAL 20 5.005 -7.633 44.362 23 HB VAL 20 HB VAL 20 2.554 -8.070 44.221 24 HG11 VAL 20 HG11 VAL 20 2.408 -7.862 46.946 25 HG12 VAL 20 HG12 VAL 20 3.183 -9.178 46.062 26 HG13 VAL 20 HG13 VAL 20 4.147 -7.826 46.658 27 HG21 VAL 20 HG21 VAL 20 1.023 -6.650 45.486 28 HG22 VAL 20 HG22 VAL 20 2.341 -5.534 45.844 29 HG23 VAL 20 HG23 VAL 20 1.792 -5.746 44.182 30 H LEU 21 H LEU 21 4.896 -7.977 42.214 31 HA LEU 21 HA LEU 21 4.774 -5.787 40.440 32 HB2 LEU 21 HB1 LEU 21 4.757 -7.567 38.656 33 HB3 LEU 21 HB2 LEU 21 6.101 -7.629 39.811 34 HG LEU 21 HG LEU 21 3.909 -9.309 40.671 35 HD11 LEU 21 HD11 LEU 21 3.263 -9.776 38.506 36 HD12 LEU 21 HD12 LEU 21 4.480 -11.018 38.798 37 HD13 LEU 21 HD13 LEU 21 4.895 -9.580 37.864 38 HD21 LEU 21 HD21 LEU 21 6.790 -9.821 39.943 39 HD22 LEU 21 HD22 LEU 21 5.722 -10.984 40.729 40 HD23 LEU 21 HD23 LEU 21 6.150 -9.484 41.551 41 H ASP 22 H ASP 22 3.118 -4.852 39.430 42 HA ASP 22 HA ASP 22 0.714 -6.290 38.773 43 HB2 ASP 22 HB1 ASP 22 -0.666 -4.429 40.014 44 HB3 ASP 22 HB2 ASP 22 -0.107 -5.861 40.890 45 HD2 ASP 22 HD ASP 22 1.246 -3.663 43.148 46 H PHE 23 H PHE 23 1.151 -5.670 36.666 47 HA PHE 23 HA PHE 23 1.142 -2.788 36.096 48 HB2 PHE 23 HB1 PHE 23 2.611 -4.993 35.029 49 HB3 PHE 23 HB2 PHE 23 1.610 -4.323 33.740 50 HD1 PHE 23 HD1 PHE 23 4.522 -3.822 35.800 51 HD2 PHE 23 HD2 PHE 23 1.805 -1.913 33.136 52 HE1 PHE 23 HE1 PHE 23 6.135 -1.994 35.472 53 HE2 PHE 23 HE2 PHE 23 3.415 -0.082 32.803 54 HZ PHE 23 HZ PHE 23 5.582 -0.121 33.970 55 H ASN 24 H ASN 24 -0.080 -2.066 34.188 56 HA ASN 24 HA ASN 24 -2.256 -3.734 33.276 57 HB2 ASN 24 HB1 ASN 24 -4.042 -2.240 34.022 58 HB3 ASN 24 HB2 ASN 24 -3.139 -2.869 35.406 59 HD21 ASN 24 HD21 ASN 24 -2.487 -1.467 36.867 60 HD22 ASN 24 HD22 ASN 24 -2.338 0.240 36.641 61 H ASN 25 H ASN 25 -3.143 -3.034 31.357 62 HA ASN 25 HA ASN 25 -2.872 -0.420 30.321 63 HB2 ASN 25 HB1 ASN 25 -1.172 -0.671 28.680 64 HB3 ASN 25 HB2 ASN 25 -0.479 -1.254 30.199 65 HD21 ASN 25 HD21 ASN 25 -0.689 -3.633 30.577 66 HD22 ASN 25 HD22 ASN 25 -0.435 -4.671 29.219 67 H ILE 26 H ILE 26 -3.745 -0.211 28.170 68 HA ILE 26 HA ILE 26 -5.959 -1.850 27.691 69 HB ILE 26 HB ILE 26 -5.789 0.464 26.868 70 HG12 ILE 26 HG11 ILE 26 -6.729 0.057 24.590 71 HG13 ILE 26 HG12 ILE 26 -6.245 -1.641 24.743 72 HG21 ILE 26 HG21 ILE 26 -3.327 -0.101 26.043 73 HG22 ILE 26 HG22 ILE 26 -4.180 -0.371 24.525 74 HG23 ILE 26 HG23 ILE 26 -4.285 1.194 25.329 75 HD11 ILE 26 HD11 ILE 26 -8.094 -2.129 25.851 76 HD12 ILE 26 HD12 ILE 26 -7.779 -0.859 27.034 77 HD13 ILE 26 HD13 ILE 26 -8.655 -0.484 25.551 78 H ARG 27 H ARG 27 -6.313 -3.611 26.450 79 HA ARG 27 HA ARG 27 -4.444 -4.475 24.444 80 HB2 ARG 27 HB1 ARG 27 -4.024 -6.694 25.512 81 HB3 ARG 27 HB2 ARG 27 -3.254 -5.334 26.343 82 HG2 ARG 27 HG1 ARG 27 -5.183 -5.318 27.946 83 HG3 ARG 27 HG2 ARG 27 -5.725 -6.825 27.187 84 HD2 ARG 27 HD1 ARG 27 -3.029 -7.271 27.715 85 HD3 ARG 27 HD2 ARG 27 -3.617 -6.383 29.127 86 HE ARG 27 HE ARG 27 -5.366 -8.519 28.393 87 HH11 ARG 27 HH11 ARG 27 -2.415 -7.745 30.070 88 HH12 ARG 27 HH12 ARG 27 -2.499 -9.118 31.123 89 HH21 ARG 27 HH21 ARG 27 -5.489 -10.331 29.774 90 HH22 ARG 27 HH22 ARG 27 -4.247 -10.589 30.953 91 H SER 28 H SER 28 -5.348 -5.898 23.005 92 HA SER 28 HA SER 28 -6.981 -7.017 21.884 93 HB2 SER 28 HB1 SER 28 -7.022 -8.026 24.541 94 HB3 SER 28 HB2 SER 28 -8.706 -7.847 24.020 95 HG SER 28 HG SER 28 -8.352 -9.211 22.341 96 H SER 29 H SER 29 -7.949 -5.297 20.869 97 HA SER 29 HA SER 29 -10.565 -4.543 21.907 98 HB2 SER 29 HB1 SER 29 -8.349 -2.819 22.153 99 HB3 SER 29 HB2 SER 29 -9.305 -2.191 20.798 100 HG SER 29 HG SER 29 -10.112 -2.603 23.474 101 H ALA 30 H ALA 30 -8.218 -4.239 19.269 102 HA ALA 30 HA ALA 30 -8.445 -4.335 17.006 103 HB1 ALA 30 HB1 ALA 30 -9.870 -6.381 17.839 104 HB2 ALA 30 HB2 ALA 30 -11.209 -5.419 17.213 105 HB3 ALA 30 HB3 ALA 30 -9.887 -5.890 16.146 106 H ASP 31 H ASP 31 -8.711 -1.887 17.664 107 HA ASP 31 HA ASP 31 -11.297 -0.867 16.731 108 HB2 ASP 31 HB1 ASP 31 -10.389 -0.026 18.895 109 HB3 ASP 31 HB2 ASP 31 -9.013 0.646 18.012 110 HD2 ASP 31 HD ASP 31 -12.472 2.539 17.842 111 H LEU 32 H LEU 32 -11.510 0.359 14.918 112 HA LEU 32 HA LEU 32 -9.271 1.462 13.519 113 HB2 LEU 32 HB1 LEU 32 -9.850 0.090 11.406 114 HB3 LEU 32 HB2 LEU 32 -8.810 -0.623 12.651 115 HG LEU 32 HG LEU 32 -11.575 -1.288 13.135 116 HD11 LEU 32 HD11 LEU 32 -10.534 -2.430 10.573 117 HD12 LEU 32 HD12 LEU 32 -11.491 -0.949 10.579 118 HD13 LEU 32 HD13 LEU 32 -12.175 -2.442 11.217 119 HD21 LEU 32 HD21 LEU 32 -9.640 -2.448 14.081 120 HD22 LEU 32 HD22 LEU 32 -9.155 -2.961 12.464 121 HD23 LEU 32 HD23 LEU 32 -10.667 -3.548 13.161 122 H HIS 33 H HIS 33 -12.635 0.365 13.244 123 HA HIS 33 HA HIS 33 -14.514 1.396 12.482 124 HB2 HIS 33 HB1 HIS 33 -12.798 3.573 13.437 125 HB3 HIS 33 HB2 HIS 33 -13.961 4.084 12.210 126 HD1 HIS 33 HD1 HIS 33 -13.969 2.256 15.540 127 HD2 HIS 33 HD2 HIS 33 -16.457 4.579 13.157 128 HE1 HIS 33 HE1 HIS 33 -16.041 2.646 16.911 129 HE2 HIS 33 HE2 HIS 33 -17.563 4.066 15.456 130 H GLY 34 H GLY 34 -15.273 3.044 10.679 131 HA2 GLY 34 HA2 GLY 34 -13.442 2.985 8.391 132 HA3 GLY 34 HA3 GLY 34 -14.982 2.153 8.234 133 HA1 GLY 34 HA1 GLY 34 -13.625 3.601 8.995 134 H ALA 35 H ALA 35 -13.810 4.535 6.847 135 HA ALA 35 HA ALA 35 -16.208 6.165 6.974 136 HB1 ALA 35 HB1 ALA 35 -13.530 7.132 7.851 137 HB2 ALA 35 HB2 ALA 35 -14.613 8.244 7.014 138 HB3 ALA 35 HB3 ALA 35 -15.126 7.475 8.516 139 H ARG 36 H ARG 36 -16.802 6.094 4.903 140 HA ARG 36 HA ARG 36 -14.754 6.630 2.852 141 HB2 ARG 36 HB1 ARG 36 -16.885 4.590 3.018 142 HB3 ARG 36 HB2 ARG 36 -16.731 5.400 1.453 143 HG2 ARG 36 HG1 ARG 36 -14.424 4.737 1.258 144 HG3 ARG 36 HG2 ARG 36 -14.459 4.048 2.890 145 HD2 ARG 36 HD1 ARG 36 -15.838 2.265 2.255 146 HD3 ARG 36 HD2 ARG 36 -16.365 3.094 0.785 147 HE ARG 36 HE ARG 36 -13.987 1.509 1.121 148 HH11 ARG 36 HH11 ARG 36 -15.533 4.011 -0.740 149 HH12 ARG 36 HH12 ARG 36 -14.566 3.740 -2.152 150 HH21 ARG 36 HH21 ARG 36 -12.708 1.140 -0.731 151 HH22 ARG 36 HH22 ARG 36 -12.960 2.105 -2.146 152 H LYS 37 H LYS 37 -15.016 8.484 1.815 153 HA LYS 37 HA LYS 37 -17.492 9.387 0.793 154 HB2 LYS 37 HB1 LYS 37 -17.859 11.364 2.129 155 HB3 LYS 37 HB2 LYS 37 -17.848 9.944 3.187 156 HG2 LYS 37 HG1 LYS 37 -15.367 10.504 3.584 157 HG3 LYS 37 HG2 LYS 37 -15.779 12.088 2.905 158 HD2 LYS 37 HD1 LYS 37 -17.239 12.612 4.643 159 HD3 LYS 37 HD2 LYS 37 -17.430 10.913 5.112 160 HE2 LYS 37 HE1 LYS 37 -15.072 10.878 5.877 161 HE3 LYS 37 HE2 LYS 37 -14.953 12.597 5.476 162 HZ1 LYS 37 HZ1 LYS 37 -16.521 13.146 7.136 163 HZ2 LYS 37 HZ2 LYS 37 -15.422 12.083 7.862 164 HZ3 LYS 37 HZ3 LYS 37 -16.949 11.528 7.388 165 H GLY 38 H GLY 38 -17.145 11.987 0.345 166 HA2 GLY 38 HA2 GLY 38 -15.704 13.639 -0.506 167 HA3 GLY 38 HA3 GLY 38 -14.380 12.484 -0.443 168 HA1 GLY 38 HA1 GLY 38 -16.370 13.140 -0.803 169 H SER 39 H SER 39 -13.600 12.290 -2.436 170 HA SER 39 HA SER 39 -15.517 12.003 -4.656 171 HB2 SER 39 HB1 SER 39 -12.719 13.145 -4.564 172 HB3 SER 39 HB2 SER 39 -13.497 12.676 -6.085 173 HG SER 39 HG SER 39 -14.246 14.703 -4.274 174 H GLN 40 H GLN 40 -12.265 10.962 -3.631 175 HA GLN 40 HA GLN 40 -12.845 8.325 -4.799 176 HB2 GLN 40 HB1 GLN 40 -10.343 9.988 -5.070 177 HB3 GLN 40 HB2 GLN 40 -10.342 8.236 -5.329 178 HG2 GLN 40 HG1 GLN 40 -12.287 9.966 -6.808 179 HG3 GLN 40 HG2 GLN 40 -10.608 9.838 -7.347 180 HE21 GLN 40 HE21 GLN 40 -12.296 9.025 -9.133 181 HE22 GLN 40 HE22 GLN 40 -12.401 7.303 -9.228 182 H CYS 41 H CYS 41 -10.354 9.939 -2.812 183 HA CYS 41 HA CYS 41 -10.823 7.988 -0.692 184 HB2 CYS 41 HB1 CYS 41 -8.342 7.640 -0.457 185 HB3 CYS 41 HB2 CYS 41 -9.063 6.908 -1.891 186 H LEU 42 H LEU 42 -10.360 8.731 1.353 187 HA LEU 42 HA LEU 42 -9.678 11.584 1.522 188 HB2 LEU 42 HB1 LEU 42 -11.897 10.558 2.415 189 HB3 LEU 42 HB2 LEU 42 -10.883 10.005 3.758 190 HG LEU 42 HG LEU 42 -10.378 12.772 3.393 191 HD11 LEU 42 HD11 LEU 42 -12.553 12.785 2.195 192 HD12 LEU 42 HD12 LEU 42 -12.548 13.753 3.670 193 HD13 LEU 42 HD13 LEU 42 -13.318 12.166 3.659 194 HD21 LEU 42 HD21 LEU 42 -10.090 11.959 5.524 195 HD22 LEU 42 HD22 LEU 42 -11.570 10.999 5.476 196 HD23 LEU 42 HD23 LEU 42 -11.659 12.750 5.673 197 H SER 43 H SER 43 -8.714 8.406 2.502 198 HA SER 43 HA SER 43 -6.274 9.511 3.649 199 HB2 SER 43 HB1 SER 43 -8.385 8.121 5.193 200 HB3 SER 43 HB2 SER 43 -6.732 7.548 5.474 201 HG SER 43 HG SER 43 -7.608 9.430 6.760 202 H ASP 44 H ASP 44 -4.628 7.807 4.033 203 HA ASP 44 HA ASP 44 -4.228 6.232 1.780 204 HB2 ASP 44 HB1 ASP 44 -2.360 5.244 2.945 205 HB3 ASP 44 HB2 ASP 44 -2.452 6.957 3.374 206 HD2 ASP 44 HD ASP 44 -2.457 4.447 6.268 207 H THR 45 H THR 45 -5.998 5.564 4.680 208 HA THR 45 HA THR 45 -6.005 2.770 4.666 209 HB THR 45 HB THR 45 -8.355 3.088 5.729 210 HG1 THR 45 HG1 THR 45 -8.531 5.283 4.850 211 HG21 THR 45 HG21 THR 45 -5.718 3.988 6.810 212 HG22 THR 45 HG22 THR 45 -6.686 2.579 7.241 213 HG23 THR 45 HG23 THR 45 -7.169 4.182 7.791 214 H ASP 46 H ASP 46 -7.927 5.090 2.848 215 HA ASP 46 HA ASP 46 -9.706 3.123 1.759 216 HB2 ASP 46 HB1 ASP 46 -9.395 6.012 1.670 217 HB3 ASP 46 HB2 ASP 46 -9.766 5.349 0.074 218 HD2 ASP 46 HD ASP 46 -13.045 4.949 0.921 219 H CYS 47 H CYS 47 -6.640 4.504 0.857 220 HA CYS 47 HA CYS 47 -6.633 3.822 -1.874 221 HB2 CYS 47 HB1 CYS 47 -4.711 4.746 0.117 222 HB3 CYS 47 HB2 CYS 47 -3.986 3.634 -1.045 223 H ASN 48 H ASN 48 -4.663 2.254 -2.574 224 HA ASN 48 HA ASN 48 -5.486 -0.374 -1.597 225 HB2 ASN 48 HB1 ASN 48 -4.158 0.633 -4.092 226 HB3 ASN 48 HB2 ASN 48 -3.973 -1.064 -3.633 227 HD21 ASN 48 HD21 ASN 48 -5.607 -2.461 -3.956 228 HD22 ASN 48 HD22 ASN 48 -7.133 -2.034 -4.646 229 H THR 49 H THR 49 -3.589 1.514 -0.206 230 HA THR 49 HA THR 49 -1.797 1.245 1.186 231 HB THR 49 HB THR 49 -1.291 -1.505 0.084 232 HG1 THR 49 HG1 THR 49 -3.418 -0.619 1.714 233 HG21 THR 49 HG21 THR 49 -0.895 -1.767 2.671 234 HG22 THR 49 HG22 THR 49 -0.709 -0.014 2.603 235 HG23 THR 49 HG23 THR 49 0.343 -1.052 1.639 236 H ARG 50 H ARG 50 -0.898 -0.728 -1.647 237 HA ARG 50 HA ARG 50 1.729 0.151 -1.824 238 HB2 ARG 50 HB1 ARG 50 -0.127 -0.813 -4.015 239 HB3 ARG 50 HB2 ARG 50 1.624 -0.624 -4.196 240 HG2 ARG 50 HG1 ARG 50 1.700 -2.791 -3.638 241 HG3 ARG 50 HG2 ARG 50 1.508 -2.184 -1.985 242 HD2 ARG 50 HD1 ARG 50 -0.654 -2.876 -1.818 243 HD3 ARG 50 HD2 ARG 50 -0.977 -2.583 -3.532 244 HE ARG 50 HE ARG 50 0.788 -4.753 -3.305 245 HH11 ARG 50 HH11 ARG 50 -2.525 -3.910 -2.645 246 HH12 ARG 50 HH12 ARG 50 -3.113 -5.528 -2.840 247 HH21 ARG 50 HH21 ARG 50 0.027 -6.888 -3.565 248 HH22 ARG 50 HH22 ARG 50 -1.660 -7.221 -3.362 249 H LYS 51 H LYS 51 -1.203 1.694 -2.826 250 HA LYS 51 HA LYS 51 0.358 3.822 -4.136 251 HB2 LYS 51 HB1 LYS 51 -2.565 3.112 -4.497 252 HB3 LYS 51 HB2 LYS 51 -1.706 4.418 -5.331 253 HG2 LYS 51 HG1 LYS 51 -0.158 2.647 -6.267 254 HG3 LYS 51 HG2 LYS 51 -1.315 1.457 -5.644 255 HD2 LYS 51 HD1 LYS 51 -3.093 2.824 -6.937 256 HD3 LYS 51 HD2 LYS 51 -1.703 3.510 -7.795 257 HE2 LYS 51 HE1 LYS 51 -0.994 1.312 -8.526 258 HE3 LYS 51 HE2 LYS 51 -2.271 0.558 -7.561 259 HZ1 LYS 51 HZ1 LYS 51 -3.100 2.544 -9.531 260 HZ2 LYS 51 HZ2 LYS 51 -3.864 1.115 -9.049 261 HZ3 LYS 51 HZ3 LYS 51 -2.559 1.055 -10.124 262 H PHE 52 H PHE 52 0.140 5.907 -3.462 263 HA PHE 52 HA PHE 52 -1.234 6.297 -0.919 264 HB2 PHE 52 HB1 PHE 52 -0.004 8.476 -0.886 265 HB3 PHE 52 HB2 PHE 52 1.043 7.057 -0.955 266 HD1 PHE 52 HD1 PHE 52 -0.459 9.703 -3.074 267 HD2 PHE 52 HD2 PHE 52 2.621 6.796 -2.651 268 HE1 PHE 52 HE1 PHE 52 0.658 10.600 -5.075 269 HE2 PHE 52 HE2 PHE 52 3.744 7.689 -4.650 270 HZ PHE 52 HZ PHE 52 2.764 9.594 -5.864 271 H CYS 53 H CYS 53 -2.592 8.136 -0.539 272 HA CYS 53 HA CYS 53 -4.279 8.730 -2.832 273 HB2 CYS 53 HB1 CYS 53 -5.247 8.024 -0.644 274 HB3 CYS 53 HB2 CYS 53 -4.642 9.522 0.064 275 H LEU 54 H LEU 54 -3.239 10.233 -4.071 276 HA LEU 54 HA LEU 54 -2.012 12.564 -2.908 277 HB2 LEU 54 HB1 LEU 54 -1.039 11.622 -4.895 278 HB3 LEU 54 HB2 LEU 54 -2.578 11.771 -5.758 279 HG LEU 54 HG LEU 54 -2.052 14.369 -5.041 280 HD11 LEU 54 HD11 LEU 54 0.508 13.832 -6.247 281 HD12 LEU 54 HD12 LEU 54 0.365 13.030 -4.684 282 HD13 LEU 54 HD13 LEU 54 0.117 14.770 -4.807 283 HD21 LEU 54 HD21 LEU 54 -2.683 14.336 -7.181 284 HD22 LEU 54 HD22 LEU 54 -2.018 12.723 -7.443 285 HD23 LEU 54 HD23 LEU 54 -0.972 14.138 -7.558 286 H GLN 55 H GLN 55 -3.050 14.343 -2.326 287 HA GLN 55 HA GLN 55 -5.666 14.912 -3.555 288 HB2 GLN 55 HB1 GLN 55 -4.689 15.925 -0.881 289 HB3 GLN 55 HB2 GLN 55 -6.338 15.975 -1.524 290 HG2 GLN 55 HG1 GLN 55 -6.186 13.401 -1.546 291 HG3 GLN 55 HG2 GLN 55 -4.812 13.637 -0.456 292 HE21 GLN 55 HE21 GLN 55 -5.209 13.830 1.637 293 HE22 GLN 55 HE22 GLN 55 -6.755 14.130 2.347 294 HA PRO 56 HA PRO 56 -2.970 18.285 -5.088 295 HB2 PRO 56 HB1 PRO 56 -4.342 18.597 -7.439 296 HB3 PRO 56 HB2 PRO 56 -3.084 17.385 -7.200 297 HG2 PRO 56 HG1 PRO 56 -6.064 17.097 -7.017 298 HG3 PRO 56 HG2 PRO 56 -4.863 16.026 -7.830 299 HD2 PRO 56 HD1 PRO 56 -5.935 15.447 -5.404 300 HD3 PRO 56 HD2 PRO 56 -4.275 15.014 -5.846 301 H ARG 57 H ARG 57 -3.368 20.497 -5.247 302 HA ARG 57 HA ARG 57 -5.807 21.388 -3.978 303 HB2 ARG 57 HB1 ARG 57 -3.301 22.812 -4.879 304 HB3 ARG 57 HB2 ARG 57 -4.688 23.658 -4.179 305 HG2 ARG 57 HG1 ARG 57 -4.339 22.818 -2.074 306 HG3 ARG 57 HG2 ARG 57 -3.509 21.375 -2.680 307 HD2 ARG 57 HD1 ARG 57 -1.501 22.351 -2.547 308 HD3 ARG 57 HD2 ARG 57 -2.086 23.795 -3.385 309 HE ARG 57 HE ARG 57 -3.105 24.015 -0.859 310 HH11 ARG 57 HH11 ARG 57 0.077 23.629 -2.216 311 HH12 ARG 57 HH12 ARG 57 0.869 24.486 -0.936 312 HH21 ARG 57 HH21 ARG 57 -2.074 25.145 0.833 313 HH22 ARG 57 HH22 ARG 57 -0.356 25.348 0.798 314 H ASP 58 H ASP 58 -4.464 21.262 -7.166 315 HA ASP 58 HA ASP 58 -6.404 23.151 -8.235 316 HB2 ASP 58 HB1 ASP 58 -3.932 21.842 -9.214 317 HB3 ASP 58 HB2 ASP 58 -5.180 22.144 -10.430 318 HD2 ASP 58 HD ASP 58 -2.977 25.117 -9.407 319 H GLU 59 H GLU 59 -5.975 19.754 -7.841 320 HA GLU 59 HA GLU 59 -8.394 19.281 -9.455 321 HB2 GLU 59 HB1 GLU 59 -5.859 18.233 -9.922 322 HB3 GLU 59 HB2 GLU 59 -6.726 16.925 -9.104 323 HG2 GLU 59 HG1 GLU 59 -7.151 16.507 -11.338 324 HG3 GLU 59 HG2 GLU 59 -8.596 17.377 -10.806 325 HE2 GLU 59 HE GLU 59 -7.010 18.816 -13.881 326 H LYS 60 H LYS 60 -9.170 16.870 -8.803 327 HA LYS 60 HA LYS 60 -9.872 17.113 -5.996 328 HB2 LYS 60 HB1 LYS 60 -10.914 15.633 -8.354 329 HB3 LYS 60 HB2 LYS 60 -11.173 14.893 -6.766 330 HG2 LYS 60 HG1 LYS 60 -12.586 16.552 -6.051 331 HG3 LYS 60 HG2 LYS 60 -11.871 17.762 -7.130 332 HD2 LYS 60 HD1 LYS 60 -13.087 17.067 -8.965 333 HD3 LYS 60 HD2 LYS 60 -13.301 15.430 -8.323 334 HE2 LYS 60 HE1 LYS 60 -15.008 16.085 -6.853 335 HE3 LYS 60 HE2 LYS 60 -14.559 17.792 -6.970 336 HZ1 LYS 60 HZ1 LYS 60 -15.999 16.136 -8.945 337 HZ2 LYS 60 HZ2 LYS 60 -15.222 17.566 -9.409 338 HZ3 LYS 60 HZ3 LYS 60 -16.464 17.612 -8.261 339 HA PRO 61 HA PRO 61 -7.241 13.996 -4.379 340 HB2 PRO 61 HB1 PRO 61 -8.868 12.714 -2.587 341 HB3 PRO 61 HB2 PRO 61 -8.239 14.342 -2.338 342 HG2 PRO 61 HG1 PRO 61 -10.910 13.477 -3.394 343 HG3 PRO 61 HG2 PRO 61 -10.523 14.746 -2.174 344 HD2 PRO 61 HD1 PRO 61 -11.115 15.331 -4.757 345 HD3 PRO 61 HD2 PRO 61 -9.965 16.280 -3.801 346 H PHE 62 H PHE 62 -6.590 11.919 -4.737 347 HA PHE 62 HA PHE 62 -8.374 9.796 -5.386 348 HB2 PHE 62 HB1 PHE 62 -7.562 9.440 -7.720 349 HB3 PHE 62 HB2 PHE 62 -8.550 10.888 -7.524 350 HD1 PHE 62 HD1 PHE 62 -7.784 12.954 -8.242 351 HD2 PHE 62 HD2 PHE 62 -5.005 9.784 -7.656 352 HE1 PHE 62 HE1 PHE 62 -6.005 14.334 -9.234 353 HE2 PHE 62 HE2 PHE 62 -3.222 11.160 -8.646 354 HZ PHE 62 HZ PHE 62 -3.721 13.438 -9.436 355 H CYS 63 H CYS 63 -7.187 7.794 -5.986 356 HA CYS 63 HA CYS 63 -4.732 7.645 -4.450 357 HB2 CYS 63 HB1 CYS 63 -6.743 5.970 -4.465 358 HB3 CYS 63 HB2 CYS 63 -5.948 5.317 -5.898 359 H ALA 64 H ALA 64 -2.888 8.151 -5.430 360 HA ALA 64 HA ALA 64 -2.543 7.467 -8.266 361 HB1 ALA 64 HB1 ALA 64 -0.362 8.996 -7.517 362 HB2 ALA 64 HB2 ALA 64 -1.797 9.562 -8.373 363 HB3 ALA 64 HB3 ALA 64 -1.707 9.699 -6.617 364 H THR 65 H THR 65 -0.727 6.344 -8.986 365 HA THR 65 HA THR 65 0.153 4.200 -7.486 366 HB THR 65 HB THR 65 2.160 4.224 -9.147 367 HG1 THR 65 HG1 THR 65 0.513 5.929 -10.658 368 HG21 THR 65 HG21 THR 65 -0.095 2.946 -9.244 369 HG22 THR 65 HG22 THR 65 0.872 3.080 -10.713 370 HG23 THR 65 HG23 THR 65 -0.525 4.130 -10.477 371 H CYS 66 H CYS 66 2.544 3.739 -7.009 372 HA CYS 66 HA CYS 66 3.437 5.743 -5.125 373 HB2 CYS 66 HB1 CYS 66 5.106 4.062 -4.457 374 HB3 CYS 66 HB2 CYS 66 3.469 3.402 -4.454 375 H ARG 67 H ARG 67 5.948 5.993 -4.998 376 HA ARG 67 HA ARG 67 6.761 7.113 -7.555 377 HB2 ARG 67 HB1 ARG 67 8.107 7.233 -4.846 378 HB3 ARG 67 HB2 ARG 67 8.579 8.157 -6.279 379 HG2 ARG 67 HG1 ARG 67 5.872 8.387 -4.970 380 HG3 ARG 67 HG2 ARG 67 7.251 9.430 -4.587 381 HD2 ARG 67 HD1 ARG 67 6.302 10.740 -6.187 382 HD3 ARG 67 HD2 ARG 67 7.274 9.700 -7.238 383 HE ARG 67 HE ARG 67 4.883 8.395 -6.997 384 HH11 ARG 67 HH11 ARG 67 5.887 11.562 -8.035 385 HH12 ARG 67 HH12 ARG 67 4.579 11.751 -9.156 386 HH21 ARG 67 HH21 ARG 67 3.157 8.632 -8.470 387 HH22 ARG 67 HH22 ARG 67 3.027 10.085 -9.403 388 H GLY 68 H GLY 68 8.058 6.095 -8.930 389 HA2 GLY 68 HA2 GLY 68 9.140 3.533 -8.378 390 HA3 GLY 68 HA3 GLY 68 9.468 4.505 -9.805 391 HA1 GLY 68 HA1 GLY 68 9.269 4.112 -7.726 392 H LEU 69 H LEU 69 11.526 3.092 -8.991 393 HA LEU 69 HA LEU 69 13.148 4.127 -6.961 394 HB2 LEU 69 HB1 LEU 69 13.565 2.445 -9.376 395 HB3 LEU 69 HB2 LEU 69 14.996 3.183 -8.635 396 HG LEU 69 HG LEU 69 13.053 1.339 -7.245 397 HD11 LEU 69 HD11 LEU 69 15.001 0.674 -9.065 398 HD12 LEU 69 HD12 LEU 69 14.335 -0.390 -7.826 399 HD13 LEU 69 HD13 LEU 69 15.826 0.499 -7.516 400 HD21 LEU 69 HD21 LEU 69 15.585 2.686 -6.322 401 HD22 LEU 69 HD22 LEU 69 14.833 1.330 -5.483 402 HD23 LEU 69 HD23 LEU 69 13.964 2.857 -5.648 403 H ARG 70 H ARG 70 12.506 5.261 -10.169 404 HA ARG 70 HA ARG 70 14.729 7.164 -10.040 405 HB2 ARG 70 HB1 ARG 70 12.846 6.347 -12.255 406 HB3 ARG 70 HB2 ARG 70 13.949 7.722 -12.399 407 HG2 ARG 70 HG1 ARG 70 15.347 5.359 -11.487 408 HG3 ARG 70 HG2 ARG 70 14.496 5.071 -13.013 409 HD2 ARG 70 HD1 ARG 70 16.597 5.864 -13.685 410 HD3 ARG 70 HD2 ARG 70 15.536 7.274 -13.800 411 HE ARG 70 HE ARG 70 16.734 8.281 -12.125 412 HH11 ARG 70 HH11 ARG 70 17.509 4.888 -12.217 413 HH12 ARG 70 HH12 ARG 70 18.814 5.021 -11.086 414 HH21 ARG 70 HH21 ARG 70 18.451 8.470 -10.635 415 HH22 ARG 70 HH22 ARG 70 19.348 7.059 -10.187 416 H ARG 71 H ARG 71 11.931 7.133 -8.638 417 HA ARG 71 HA ARG 71 11.116 9.846 -9.432 418 HB2 ARG 71 HB1 ARG 71 9.612 7.641 -8.012 419 HB3 ARG 71 HB2 ARG 71 8.999 9.292 -8.174 420 HG2 ARG 71 HG1 ARG 71 9.648 7.416 -10.449 421 HG3 ARG 71 HG2 ARG 71 8.031 7.833 -9.858 422 HD2 ARG 71 HD1 ARG 71 8.536 10.236 -10.387 423 HD3 ARG 71 HD2 ARG 71 10.031 9.679 -11.151 424 HE ARG 71 HE ARG 71 8.811 8.973 -12.954 425 HH11 ARG 71 HH11 ARG 71 6.664 9.531 -10.271 426 HH12 ARG 71 HH12 ARG 71 5.224 9.325 -11.211 427 HH21 ARG 71 HH21 ARG 71 6.922 8.700 -14.203 428 HH22 ARG 71 HH22 ARG 71 5.372 8.851 -13.449 429 H ARG 72 H ARG 72 11.121 11.493 -7.984 430 HA ARG 72 HA ARG 72 12.731 11.238 -5.656 431 HB2 ARG 72 HB1 ARG 72 10.905 13.531 -6.412 432 HB3 ARG 72 HB2 ARG 72 12.281 13.589 -5.302 433 HG2 ARG 72 HG1 ARG 72 12.499 12.965 -8.248 434 HG3 ARG 72 HG2 ARG 72 12.751 14.565 -7.529 435 HD2 ARG 72 HD1 ARG 72 14.516 13.497 -6.050 436 HD3 ARG 72 HD2 ARG 72 14.367 12.067 -7.081 437 HE ARG 72 HE ARG 72 15.538 13.158 -8.721 438 HH11 ARG 72 HH11 ARG 72 14.492 15.458 -6.325 439 HH12 ARG 72 HH12 ARG 72 15.425 16.761 -6.980 440 HH21 ARG 72 HH21 ARG 72 16.771 14.867 -9.593 441 HH22 ARG 72 HH22 ARG 72 16.720 16.425 -8.840 442 H CYS 73 H CYS 73 12.146 11.521 -3.472 443 HA CYS 73 HA CYS 73 9.335 11.480 -2.750 444 HB2 CYS 73 HB1 CYS 73 9.366 9.420 -1.563 445 HB3 CYS 73 HB2 CYS 73 10.003 9.084 -3.176 446 H GLN 74 H GLN 74 9.193 11.235 -0.235 447 HA GLN 74 HA GLN 74 11.450 12.635 1.022 448 HB2 GLN 74 HB1 GLN 74 8.521 13.345 1.324 449 HB3 GLN 74 HB2 GLN 74 9.847 14.059 2.255 450 HG2 GLN 74 HG1 GLN 74 10.750 15.137 0.356 451 HG3 GLN 74 HG2 GLN 74 9.726 14.201 -0.740 452 HE21 GLN 74 HE21 GLN 74 8.913 16.084 -1.677 453 HE22 GLN 74 HE22 GLN 74 7.753 17.078 -0.869 454 H ARG 75 H ARG 75 8.507 10.731 1.463 455 HA ARG 75 HA ARG 75 9.616 9.747 4.010 456 HB2 ARG 75 HB1 ARG 75 6.722 10.055 3.178 457 HB3 ARG 75 HB2 ARG 75 7.261 9.265 4.667 458 HG2 ARG 75 HG1 ARG 75 7.676 11.209 5.722 459 HG3 ARG 75 HG2 ARG 75 8.301 11.981 4.255 460 HD2 ARG 75 HD1 ARG 75 5.935 12.137 3.420 461 HD3 ARG 75 HD2 ARG 75 5.414 11.569 5.012 462 HE ARG 75 HE ARG 75 6.389 14.195 4.343 463 HH11 ARG 75 HH11 ARG 75 5.867 11.877 6.887 464 HH12 ARG 75 HH12 ARG 75 5.821 13.070 8.142 465 HH21 ARG 75 HH21 ARG 75 6.330 15.775 5.986 466 HH22 ARG 75 HH22 ARG 75 6.083 15.288 7.629 467 H ASP 76 H ASP 76 9.808 7.586 4.297 468 HA ASP 76 HA ASP 76 9.912 5.876 2.094 469 HB2 ASP 76 HB1 ASP 76 11.208 5.349 4.031 470 HB3 ASP 76 HB2 ASP 76 9.765 5.299 5.053 471 HD2 ASP 76 HD ASP 76 9.212 2.003 4.326 472 H ALA 77 H ALA 77 7.275 6.733 4.170 473 HA ALA 77 HA ALA 77 5.601 4.504 3.631 474 HB1 ALA 77 HB1 ALA 77 5.457 6.903 5.163 475 HB2 ALA 77 HB2 ALA 77 3.995 6.760 4.186 476 HB3 ALA 77 HB3 ALA 77 4.459 5.453 5.277 477 H MET 78 H MET 78 6.363 7.400 1.895 478 HA MET 78 HA MET 78 4.046 7.351 0.200 479 HB2 MET 78 HB1 MET 78 6.531 8.956 0.420 480 HB3 MET 78 HB2 MET 78 5.784 8.875 -1.182 481 HG2 MET 78 HG1 MET 78 3.964 9.465 1.073 482 HG3 MET 78 HG2 MET 78 5.147 10.710 0.664 483 HE1 MET 78 HE1 MET 78 4.981 12.289 -1.393 484 HE2 MET 78 HE2 MET 78 5.608 10.865 -2.225 485 HE3 MET 78 HE3 MET 78 4.255 11.765 -2.913 486 H CYS 79 H CYS 79 7.182 5.883 0.192 487 HA CYS 79 HA CYS 79 7.071 5.174 -2.616 488 HB2 CYS 79 HB1 CYS 79 9.043 4.903 -0.403 489 HB3 CYS 79 HB2 CYS 79 9.129 3.713 -1.703 490 H CYS 80 H CYS 80 6.902 3.060 -3.421 491 HA CYS 80 HA CYS 80 4.961 1.439 -2.259 492 HB2 CYS 80 HB1 CYS 80 6.801 1.272 -4.544 493 HB3 CYS 80 HB2 CYS 80 6.350 -0.299 -3.878 494 HA PRO 81 HA PRO 81 6.959 -1.119 0.690 495 HB2 PRO 81 HB1 PRO 81 5.784 -3.555 0.257 496 HB3 PRO 81 HB2 PRO 81 4.946 -2.187 0.988 497 HG2 PRO 81 HG1 PRO 81 4.920 -3.131 -1.859 498 HG3 PRO 81 HG2 PRO 81 3.541 -2.624 -0.813 499 HD2 PRO 81 HD1 PRO 81 4.625 -0.998 -2.698 500 HD3 PRO 81 HD2 PRO 81 3.964 -0.387 -1.173 501 H GLY 82 H GLY 82 9.042 -1.674 0.565 502 HA2 GLY 82 HA2 GLY 82 10.407 -3.728 0.019 503 HA3 GLY 82 HA3 GLY 82 9.879 -3.459 -1.635 504 HA1 GLY 82 HA1 GLY 82 10.413 -2.908 0.346 505 H THR 83 H THR 83 10.117 -0.457 -0.949 506 HA THR 83 HA THR 83 13.030 -0.305 -1.374 507 HB THR 83 HB THR 83 12.183 2.053 -2.375 508 HG1 THR 83 HG1 THR 83 10.263 1.713 -3.515 509 HG21 THR 83 HG21 THR 83 13.544 0.955 -3.823 510 HG22 THR 83 HG22 THR 83 12.015 0.581 -4.617 511 HG23 THR 83 HG23 THR 83 12.764 -0.601 -3.545 512 H LEU 84 H LEU 84 13.845 2.019 -0.876 513 HA LEU 84 HA LEU 84 12.563 3.048 1.559 514 HB2 LEU 84 HB1 LEU 84 15.018 1.626 1.425 515 HB3 LEU 84 HB2 LEU 84 15.392 3.321 1.782 516 HG LEU 84 HG LEU 84 13.428 1.692 3.386 517 HD11 LEU 84 HD11 LEU 84 15.491 1.883 5.038 518 HD12 LEU 84 HD12 LEU 84 16.386 1.861 3.519 519 HD13 LEU 84 HD13 LEU 84 15.305 0.528 3.925 520 HD21 LEU 84 HD21 LEU 84 13.163 4.111 3.537 521 HD22 LEU 84 HD22 LEU 84 14.870 4.283 3.945 522 HD23 LEU 84 HD23 LEU 84 13.778 3.446 5.051 523 H CYS 85 H CYS 85 12.818 5.247 1.943 524 HA CYS 85 HA CYS 85 13.410 6.821 -0.407 525 HB2 CYS 85 HB1 CYS 85 12.107 7.278 2.226 526 HB3 CYS 85 HB2 CYS 85 12.852 8.680 1.457 527 H VAL 86 H VAL 86 15.515 7.120 -0.825 528 HA VAL 86 HA VAL 86 17.185 8.218 1.338 529 HB VAL 86 HB VAL 86 18.092 6.288 -0.803 530 HG11 VAL 86 HG11 VAL 86 19.795 7.960 -0.298 531 HG12 VAL 86 HG12 VAL 86 19.651 7.597 1.424 532 HG13 VAL 86 HG13 VAL 86 20.267 6.374 0.311 533 HG21 VAL 86 HG21 VAL 86 16.822 5.721 1.569 534 HG22 VAL 86 HG22 VAL 86 17.856 4.616 0.663 535 HG23 VAL 86 HG23 VAL 86 18.529 5.568 1.987 536 H ASN 87 H ASN 87 18.526 9.901 0.805 537 HA ASN 87 HA ASN 87 19.241 11.740 -0.325 538 HB2 ASN 87 HB1 ASN 87 19.243 9.632 -2.471 539 HB3 ASN 87 HB2 ASN 87 19.657 11.306 -2.862 540 HD21 ASN 87 HD21 ASN 87 21.775 11.347 -3.139 541 HD22 ASN 87 HD22 ASN 87 22.948 10.725 -2.034 542 H ASP 88 H ASP 88 16.395 11.353 0.040 543 HA ASP 88 HA ASP 88 14.444 12.384 -0.513 544 HB2 ASP 88 HB1 ASP 88 16.435 14.197 -1.163 545 HB3 ASP 88 HB2 ASP 88 15.471 14.101 -2.643 546 HD2 ASP 88 HD ASP 88 13.072 16.097 -1.273 547 H VAL 89 H VAL 89 15.535 10.069 -2.052 548 HA VAL 89 HA VAL 89 13.572 10.163 -4.201 549 HB VAL 89 HB VAL 89 15.669 10.909 -5.266 550 HG11 VAL 89 HG11 VAL 89 16.697 8.249 -4.294 551 HG12 VAL 89 HG12 VAL 89 17.492 9.213 -5.541 552 HG13 VAL 89 HG13 VAL 89 17.320 9.853 -3.906 553 HG21 VAL 89 HG21 VAL 89 14.823 8.140 -6.114 554 HG22 VAL 89 HG22 VAL 89 13.990 9.636 -6.536 555 HG23 VAL 89 HG23 VAL 89 15.628 9.342 -7.122 556 H CYS 90 H CYS 90 12.853 8.125 -4.879 557 HA CYS 90 HA CYS 90 12.891 6.103 -2.912 558 HB2 CYS 90 HB1 CYS 90 11.316 6.694 -5.077 559 HB3 CYS 90 HB2 CYS 90 12.163 5.249 -5.632 560 H THR 91 H THR 91 14.638 4.948 -2.430 561 HA THR 91 HA THR 91 16.214 3.817 -4.649 562 HB THR 91 HB THR 91 17.252 4.721 -1.956 563 HG1 THR 91 HG1 THR 91 17.601 6.523 -2.991 564 HG21 THR 91 HG21 THR 91 18.724 3.488 -4.289 565 HG22 THR 91 HG22 THR 91 18.387 2.695 -2.750 566 HG23 THR 91 HG23 THR 91 19.458 4.095 -2.805 567 H THR 92 H THR 92 16.881 1.694 -4.464 568 HA THR 92 HA THR 92 15.245 -0.038 -2.951 569 HB THR 92 HB THR 92 17.534 -1.498 -3.676 570 HG1 THR 92 HG1 THR 92 18.397 -0.328 -5.209 571 HG21 THR 92 HG21 THR 92 16.084 -2.570 -5.209 572 HG22 THR 92 HG22 THR 92 15.078 -1.131 -5.379 573 HG23 THR 92 HG23 THR 92 15.061 -2.046 -3.872 574 H MET 93 H MET 93 15.901 -1.574 -1.324 575 HA MET 93 HA MET 93 17.449 -0.354 0.748 576 HB2 MET 93 HB1 MET 93 15.986 -2.966 0.460 577 HB3 MET 93 HB2 MET 93 17.026 -2.660 1.859 578 HG2 MET 93 HG1 MET 93 15.649 -1.032 2.722 579 HG3 MET 93 HG2 MET 93 14.957 -0.647 1.145 580 HE1 MET 93 HE1 MET 93 12.230 -2.091 3.812 581 HE2 MET 93 HE2 MET 93 13.865 -2.052 4.473 582 HE3 MET 93 HE3 MET 93 13.260 -0.686 3.534 583 H GLU 94 H GLU 94 17.972 -2.920 -1.589 584 HA GLU 94 HA GLU 94 20.303 -4.021 -0.453 585 HB2 GLU 94 HB1 GLU 94 19.485 -3.888 -3.367 586 HB3 GLU 94 HB2 GLU 94 20.716 -4.962 -2.686 587 HG2 GLU 94 HG1 GLU 94 19.197 -6.372 -1.752 588 HG3 GLU 94 HG2 GLU 94 18.004 -5.089 -1.506 589 HE2 GLU 94 HE GLU 94 16.883 -5.433 -4.861 590 H ASP 95 H ASP 95 19.758 -1.248 -2.518 591 HA ASP 95 HA ASP 95 22.557 -0.838 -3.069 592 HB2 ASP 95 HB1 ASP 95 20.021 0.282 -3.954 593 HB3 ASP 95 HB2 ASP 95 21.214 1.545 -3.624 594 HD2 ASP 95 HD ASP 95 22.471 -1.070 -6.324 595 H ALA 96 H ALA 96 20.181 0.357 -0.791 596 HA ALA 96 HA ALA 96 21.830 2.480 0.209 597 HB1 ALA 96 HB1 ALA 96 19.331 2.466 0.295 598 HB2 ALA 96 HB2 ALA 96 19.440 1.234 1.553 599 HB3 ALA 96 HB3 ALA 96 20.117 2.839 1.830 600 H THR 97 H THR 97 21.792 2.353 2.884 601 HA THR 97 HA THR 97 23.337 -0.077 3.515 602 HB THR 97 HB THR 97 24.629 1.300 5.125 603 HG1 THR 97 HG1 THR 97 24.029 3.291 5.502 604 HG21 THR 97 HG21 THR 97 25.554 2.867 3.105 605 HG22 THR 97 HG22 THR 97 24.682 1.626 2.205 606 HG23 THR 97 HG23 THR 97 25.970 1.168 3.318 607 H GLU 98 H GLU 98 21.577 -1.180 4.403 608 HA GLU 98 HA GLU 98 21.000 -0.499 7.139 609 HB2 GLU 98 HB1 GLU 98 19.142 0.210 5.038 610 HB3 GLU 98 HB2 GLU 98 18.419 -0.968 6.145 611 HG2 GLU 98 HG1 GLU 98 19.686 1.647 6.964 612 HG3 GLU 98 HG2 GLU 98 17.950 1.346 6.798 613 HE2 GLU 98 HE GLU 98 19.097 0.795 10.268 614 H ASN 99 H ASN 99 19.889 -2.210 8.276 615 HA ASN 99 HA ASN 99 19.557 -4.392 8.822 616 HB2 ASN 99 HB1 ASN 99 18.644 -4.188 6.010 617 HB3 ASN 99 HB2 ASN 99 18.976 -5.823 6.594 618 HD21 ASN 99 HD21 ASN 99 17.632 -6.772 8.042 619 HD22 ASN 99 HD22 ASN 99 16.158 -6.059 8.595 620 H LEU 100 H LEU 100 21.811 -4.554 9.355 621 HA LEU 100 HA LEU 100 23.344 -6.181 7.432 622 HB2 LEU 100 HB1 LEU 100 24.359 -4.288 9.562 623 HB3 LEU 100 HB2 LEU 100 25.374 -5.320 8.538 624 HG LEU 100 HG LEU 100 24.042 -3.959 6.635 625 HD11 LEU 100 HD11 LEU 100 22.849 -2.640 8.382 626 HD12 LEU 100 HD12 LEU 100 23.772 -1.666 7.238 627 HD13 LEU 100 HD13 LEU 100 24.405 -1.959 8.858 628 HD21 LEU 100 HD21 LEU 100 26.120 -2.275 7.071 629 HD22 LEU 100 HD22 LEU 100 26.258 -3.845 6.279 630 HD23 LEU 100 HD23 LEU 100 26.630 -3.687 7.996 631 H TYR 101 H TYR 101 24.970 -7.633 8.507 632 HA TYR 101 HA TYR 101 24.077 -8.597 11.129 633 HB2 TYR 101 HB1 TYR 101 24.148 -10.127 8.554 634 HB3 TYR 101 HB2 TYR 101 24.513 -10.970 10.062 635 HD1 TYR 101 HD1 TYR 101 21.891 -9.118 8.245 636 HD2 TYR 101 HD2 TYR 101 22.808 -11.502 11.648 637 HE1 TYR 101 HE1 TYR 101 19.488 -9.387 8.697 638 HE2 TYR 101 HE2 TYR 101 20.408 -11.778 12.109 639 HH TYR 101 HH TYR 101 18.279 -10.513 11.599 640 H PHE 102 H PHE 102 25.643 -10.331 11.954 641 HA PHE 102 HA PHE 102 28.393 -9.625 11.167 642 HB2 PHE 102 HB1 PHE 102 27.071 -9.577 13.805 643 HB3 PHE 102 HB2 PHE 102 28.652 -10.361 13.786 644 HD1 PHE 102 HD1 PHE 102 30.673 -9.127 13.295 645 HD2 PHE 102 HD2 PHE 102 26.879 -7.200 13.351 646 HE1 PHE 102 HE1 PHE 102 31.791 -6.936 13.367 647 HE2 PHE 102 HE2 PHE 102 27.990 -5.006 13.422 648 HZ PHE 102 HZ PHE 102 30.449 -4.872 13.428 649 H GLN 103 H GLN 103 29.817 -11.266 10.906 650 HA GLN 103 HA GLN 103 28.998 -13.965 11.715 651 HB2 GLN 103 HB1 GLN 103 29.737 -14.872 9.557 652 HB3 GLN 103 HB2 GLN 103 28.397 -13.732 9.363 653 HG2 GLN 103 HG1 GLN 103 30.168 -11.969 8.865 654 HG3 GLN 103 HG2 GLN 103 31.292 -13.325 8.704 655 HE21 GLN 103 HE21 GLN 103 30.270 -11.366 6.735 656 HE22 GLN 103 HE22 GLN 103 29.620 -12.314 5.447 657 H SER 104 H SER 104 30.909 -15.538 11.313 658 HA SER 104 HA SER 104 33.461 -14.209 11.906 659 HB2 SER 104 HB1 SER 104 31.965 -15.465 13.846 660 HB3 SER 104 HB2 SER 104 33.067 -16.752 13.322 661 HG SER 104 HG SER 104 33.914 -15.406 15.024 662 H LEU 105 H LEU 105 35.241 -16.059 11.975 663 HA LEU 105 HA LEU 105 34.885 -17.595 9.489 664 HB2 LEU 105 HB1 LEU 105 37.004 -15.913 10.503 665 HB3 LEU 105 HB2 LEU 105 37.602 -17.546 10.155 666 HG LEU 105 HG LEU 105 37.959 -16.110 8.246 667 HD11 LEU 105 HD11 LEU 105 37.197 -18.544 8.016 668 HD12 LEU 105 HD12 LEU 105 37.109 -17.513 6.587 669 HD13 LEU 105 HD13 LEU 105 35.647 -17.871 7.507 670 HD21 LEU 105 HD21 LEU 105 35.146 -15.761 7.544 671 HD22 LEU 105 HD22 LEU 105 36.488 -14.619 7.461 672 HD23 LEU 105 HD23 LEU 105 35.634 -14.870 8.986 673 H GLU 106 H GLU 106 35.940 -19.690 9.356 674 HA GLU 106 HA GLU 106 35.887 -21.073 11.949 675 HB2 GLU 106 HB1 GLU 106 35.044 -21.783 9.210 676 HB3 GLU 106 HB2 GLU 106 35.870 -23.072 10.101 677 HG2 GLU 106 HG1 GLU 106 34.261 -22.824 11.944 678 HG3 GLU 106 HG2 GLU 106 33.415 -21.585 11.007 679 HE2 GLU 106 HE GLU 106 31.550 -24.030 9.524 680 H HIS 107 H HIS 107 37.668 -22.006 12.738 681 HA HIS 107 HA HIS 107 40.123 -21.829 11.167 682 HB2 HIS 107 HB1 HIS 107 39.582 -22.324 14.099 683 HB3 HIS 107 HB2 HIS 107 41.194 -22.456 13.390 684 HD1 HIS 107 HD1 HIS 107 38.448 -19.831 13.630 685 HD2 HIS 107 HD2 HIS 107 42.587 -20.138 13.422 686 HE1 HIS 107 HE1 HIS 107 39.311 -17.481 13.877 687 HE2 HIS 107 HE2 HIS 107 41.840 -17.668 13.748 688 H HIS 108 H HIS 108 39.130 -23.648 9.833 689 HA HIS 108 HA HIS 108 39.289 -26.280 11.041 690 HB2 HIS 108 HB1 HIS 108 38.106 -25.114 8.660 691 HB3 HIS 108 HB2 HIS 108 39.006 -26.584 8.274 692 HD1 HIS 108 HD1 HIS 108 37.059 -26.080 11.470 693 HD2 HIS 108 HD2 HIS 108 36.872 -28.282 7.951 694 HE1 HIS 108 HE1 HIS 108 35.184 -27.722 11.804 695 HE2 HIS 108 HE2 HIS 108 35.069 -29.069 9.653 696 H HIS 109 H HIS 109 40.721 -27.920 10.391 697 HA HIS 109 HA HIS 109 43.036 -27.088 8.796 698 HB2 HIS 109 HB1 HIS 109 44.523 -28.267 10.458 699 HB3 HIS 109 HB2 HIS 109 43.816 -26.749 11.024 700 HD1 HIS 109 HD1 HIS 109 43.521 -30.469 11.512 701 HD2 HIS 109 HD2 HIS 109 42.152 -26.940 13.223 702 HE1 HIS 109 HE1 HIS 109 42.435 -31.148 13.676 703 HE2 HIS 109 HE2 HIS 109 41.598 -28.993 14.722 704 H HIS 110 H HIS 110 44.293 -28.866 7.951 705 HA HIS 110 HA HIS 110 42.605 -31.144 7.319 706 HB2 HIS 110 HB1 HIS 110 45.139 -29.991 6.214 707 HB3 HIS 110 HB2 HIS 110 44.756 -31.684 5.884 708 HD1 HIS 110 HD1 HIS 110 43.697 -28.221 5.025 709 HD2 HIS 110 HD2 HIS 110 42.539 -32.124 4.200 710 HE1 HIS 110 HE1 HIS 110 42.091 -28.051 3.098 711 HE2 HIS 110 HE2 HIS 110 41.381 -30.436 2.591 712 H HIS 111 H HIS 111 42.609 -32.267 9.293 713 HA HIS 111 HA HIS 111 45.195 -33.441 10.070 714 HB2 HIS 111 HB1 HIS 111 42.956 -32.381 11.595 715 HB3 HIS 111 HB2 HIS 111 43.348 -34.032 12.080 716 HD1 HIS 111 HD1 HIS 111 45.568 -31.048 11.238 717 HD2 HIS 111 HD2 HIS 111 44.990 -33.892 14.210 718 HE1 HIS 111 HE1 HIS 111 47.351 -30.599 12.954 719 HE2 HIS 111 HE2 HIS 111 46.998 -32.336 14.771 720 H HIS 112 H HIS 112 45.049 -35.693 10.941 721 HA HIS 112 HA HIS 112 42.904 -37.281 9.740 722 HB2 HIS 112 HB1 HIS 112 45.846 -37.525 9.156 723 HB3 HIS 112 HB2 HIS 112 44.782 -38.928 9.026 724 HD1 HIS 112 HD1 HIS 112 45.361 -35.555 7.455 725 HD2 HIS 112 HD2 HIS 112 43.190 -39.031 6.774 726 HE1 HIS 112 HE1 HIS 112 44.433 -35.323 5.130 727 HE2 HIS 112 HE2 HIS 112 43.104 -37.447 4.712 Start of MODEL 46 1 H1 MET 18 H MET 18 -24.577 41.675 -14.243 2 HA MET 18 HA MET 18 -23.912 43.216 -16.041 3 HB2 MET 18 HB1 MET 18 -26.020 43.685 -14.852 4 HB3 MET 18 HB2 MET 18 -25.125 44.659 -13.676 5 HG2 MET 18 HG1 MET 18 -24.359 45.799 -16.045 6 HG3 MET 18 HG2 MET 18 -26.030 45.331 -16.370 7 HE1 MET 18 HE1 MET 18 -27.952 46.618 -13.520 8 HE2 MET 18 HE2 MET 18 -28.218 47.397 -15.079 9 HE3 MET 18 HE3 MET 18 -27.854 45.673 -15.006 10 H LEU 19 H LEU 19 -21.586 43.249 -16.020 11 HA LEU 19 HA LEU 19 -20.540 45.827 -15.385 12 HB2 LEU 19 HB1 LEU 19 -20.262 43.731 -13.441 13 HB3 LEU 19 HB2 LEU 19 -18.671 44.166 -14.091 14 HG LEU 19 HG LEU 19 -20.054 46.572 -13.466 15 HD11 LEU 19 HD11 LEU 19 -20.640 46.363 -11.216 16 HD12 LEU 19 HD12 LEU 19 -19.851 44.794 -11.060 17 HD13 LEU 19 HD13 LEU 19 -21.348 44.940 -11.981 18 HD21 LEU 19 HD21 LEU 19 -17.897 45.526 -11.725 19 HD22 LEU 19 HD22 LEU 19 -18.077 47.107 -12.483 20 HD23 LEU 19 HD23 LEU 19 -17.530 45.727 -13.439 21 H VAL 20 H VAL 20 -18.292 46.077 -16.103 22 HA VAL 20 HA VAL 20 -17.848 44.867 -18.602 23 HB VAL 20 HB VAL 20 -15.648 45.965 -18.564 24 HG11 VAL 20 HG11 VAL 20 -16.754 47.777 -19.208 25 HG12 VAL 20 HG12 VAL 20 -18.188 47.212 -18.347 26 HG13 VAL 20 HG13 VAL 20 -17.005 48.231 -17.523 27 HG21 VAL 20 HG21 VAL 20 -15.037 47.349 -16.596 28 HG22 VAL 20 HG22 VAL 20 -16.363 46.603 -15.704 29 HG23 VAL 20 HG23 VAL 20 -15.014 45.616 -16.268 30 H LEU 21 H LEU 21 -16.633 43.170 -19.252 31 HA LEU 21 HA LEU 21 -15.955 41.161 -17.372 32 HB2 LEU 21 HB1 LEU 21 -15.796 41.524 -20.304 33 HB3 LEU 21 HB2 LEU 21 -14.656 40.365 -19.596 34 HG LEU 21 HG LEU 21 -16.533 39.104 -18.644 35 HD11 LEU 21 HD11 LEU 21 -18.815 39.628 -19.224 36 HD12 LEU 21 HD12 LEU 21 -18.290 41.031 -20.154 37 HD13 LEU 21 HD13 LEU 21 -18.082 41.007 -18.403 38 HD21 LEU 21 HD21 LEU 21 -17.354 38.167 -20.715 39 HD22 LEU 21 HD22 LEU 21 -15.642 38.558 -20.879 40 HD23 LEU 21 HD23 LEU 21 -16.861 39.612 -21.599 41 H ASP 22 H ASP 22 -13.946 40.384 -16.725 42 HA ASP 22 HA ASP 22 -11.793 42.367 -16.845 43 HB2 ASP 22 HB1 ASP 22 -12.822 41.079 -14.701 44 HB3 ASP 22 HB2 ASP 22 -11.506 39.974 -15.122 45 HD2 ASP 22 HD ASP 22 -10.526 43.042 -13.096 46 H PHE 23 H PHE 23 -10.809 41.985 -18.794 47 HA PHE 23 HA PHE 23 -9.457 39.384 -19.042 48 HB2 PHE 23 HB1 PHE 23 -11.471 39.818 -20.633 49 HB3 PHE 23 HB2 PHE 23 -10.365 40.913 -21.464 50 HD1 PHE 23 HD1 PHE 23 -10.132 37.474 -20.022 51 HD2 PHE 23 HD2 PHE 23 -9.397 40.037 -23.340 52 HE1 PHE 23 HE1 PHE 23 -9.162 35.584 -21.264 53 HE2 PHE 23 HE2 PHE 23 -8.427 38.152 -24.587 54 HZ PHE 23 HZ PHE 23 -8.309 35.921 -23.549 55 H ASN 24 H ASN 24 -7.353 39.722 -18.822 56 HA ASN 24 HA ASN 24 -5.986 41.633 -20.474 57 HB2 ASN 24 HB1 ASN 24 -6.863 42.699 -18.149 58 HB3 ASN 24 HB2 ASN 24 -5.313 42.038 -17.617 59 HD21 ASN 24 HD21 ASN 24 -6.858 44.587 -19.180 60 HD22 ASN 24 HD22 ASN 24 -5.454 45.419 -19.750 61 H ASN 25 H ASN 25 -5.650 39.612 -17.562 62 HA ASN 25 HA ASN 25 -3.442 38.202 -18.850 63 HB2 ASN 25 HB1 ASN 25 -2.176 38.316 -16.622 64 HB3 ASN 25 HB2 ASN 25 -2.168 39.766 -17.633 65 HD21 ASN 25 HD21 ASN 25 -3.236 38.358 -14.675 66 HD22 ASN 25 HD22 ASN 25 -3.869 39.801 -13.968 67 H ILE 26 H ILE 26 -3.175 36.087 -18.164 68 HA ILE 26 HA ILE 26 -5.455 34.967 -16.754 69 HB ILE 26 HB ILE 26 -3.119 33.557 -18.051 70 HG12 ILE 26 HG11 ILE 26 -4.428 34.836 -19.671 71 HG13 ILE 26 HG12 ILE 26 -4.687 33.098 -19.890 72 HG21 ILE 26 HG21 ILE 26 -5.257 32.632 -16.364 73 HG22 ILE 26 HG22 ILE 26 -5.364 31.895 -17.963 74 HG23 ILE 26 HG23 ILE 26 -3.881 31.743 -17.019 75 HD11 ILE 26 HD11 ILE 26 -6.617 35.129 -19.461 76 HD12 ILE 26 HD12 ILE 26 -6.866 33.405 -19.733 77 HD13 ILE 26 HD13 ILE 26 -6.661 34.019 -18.092 78 H ARG 27 H ARG 27 -5.222 35.360 -14.596 79 HA ARG 27 HA ARG 27 -3.135 33.851 -13.240 80 HB2 ARG 27 HB1 ARG 27 -3.031 36.696 -13.529 81 HB3 ARG 27 HB2 ARG 27 -3.336 36.307 -11.829 82 HG2 ARG 27 HG1 ARG 27 -1.361 34.946 -11.706 83 HG3 ARG 27 HG2 ARG 27 -1.094 35.123 -13.449 84 HD2 ARG 27 HD1 ARG 27 -0.780 37.547 -13.160 85 HD3 ARG 27 HD2 ARG 27 -1.033 37.355 -11.421 86 HE ARG 27 HE ARG 27 1.068 35.677 -12.332 87 HH11 ARG 27 HH11 ARG 27 0.302 38.981 -11.548 88 HH12 ARG 27 HH12 ARG 27 1.933 39.398 -11.136 89 HH21 ARG 27 HH21 ARG 27 3.219 36.214 -11.793 90 HH22 ARG 27 HH22 ARG 27 3.591 37.824 -11.276 91 H SER 28 H SER 28 -3.540 33.737 -10.866 92 HA SER 28 HA SER 28 -6.395 34.063 -10.224 93 HB2 SER 28 HB1 SER 28 -4.998 31.764 -8.977 94 HB3 SER 28 HB2 SER 28 -6.653 31.890 -9.595 95 HG SER 28 HG SER 28 -6.010 31.082 -11.421 96 H SER 29 H SER 29 -6.642 33.549 -7.718 97 HA SER 29 HA SER 29 -4.423 34.689 -6.199 98 HB2 SER 29 HB1 SER 29 -6.121 36.492 -7.015 99 HB3 SER 29 HB2 SER 29 -7.179 35.808 -5.769 100 HG SER 29 HG SER 29 -5.568 37.634 -5.268 101 H ALA 30 H ALA 30 -7.797 33.570 -5.957 102 HA ALA 30 HA ALA 30 -8.846 32.190 -4.481 103 HB1 ALA 30 HB1 ALA 30 -6.052 31.080 -4.313 104 HB2 ALA 30 HB2 ALA 30 -7.444 30.336 -3.526 105 HB3 ALA 30 HB3 ALA 30 -7.400 30.484 -5.282 106 H ASP 31 H ASP 31 -8.563 34.571 -3.392 107 HA ASP 31 HA ASP 31 -7.522 34.099 -0.677 108 HB2 ASP 31 HB1 ASP 31 -6.972 36.193 -2.456 109 HB3 ASP 31 HB2 ASP 31 -8.080 36.882 -1.262 110 HD2 ASP 31 HD ASP 31 -4.450 35.850 -0.082 111 H LEU 32 H LEU 32 -10.238 35.194 -2.591 112 HA LEU 32 HA LEU 32 -11.823 36.020 -0.350 113 HB2 LEU 32 HB1 LEU 32 -11.947 36.286 -3.135 114 HB3 LEU 32 HB2 LEU 32 -13.364 35.322 -2.687 115 HG LEU 32 HG LEU 32 -14.011 37.620 -2.775 116 HD11 LEU 32 HD11 LEU 32 -14.867 37.955 -0.544 117 HD12 LEU 32 HD12 LEU 32 -13.678 36.832 0.115 118 HD13 LEU 32 HD13 LEU 32 -14.949 36.242 -0.957 119 HD21 LEU 32 HD21 LEU 32 -12.761 39.355 -2.113 120 HD22 LEU 32 HD22 LEU 32 -11.437 38.190 -2.066 121 HD23 LEU 32 HD23 LEU 32 -12.320 38.581 -0.591 122 H HIS 33 H HIS 33 -11.948 33.232 -2.564 123 HA HIS 33 HA HIS 33 -13.282 31.715 -0.424 124 HB2 HIS 33 HB1 HIS 33 -13.922 31.579 -3.383 125 HB3 HIS 33 HB2 HIS 33 -14.644 30.570 -2.127 126 HD1 HIS 33 HD1 HIS 33 -15.580 32.400 -0.033 127 HD2 HIS 33 HD2 HIS 33 -15.763 33.447 -4.049 128 HE1 HIS 33 HE1 HIS 33 -17.341 34.189 -0.181 129 HE2 HIS 33 HE2 HIS 33 -17.452 34.830 -2.635 130 H GLY 34 H GLY 34 -12.619 29.623 -0.136 131 HA2 GLY 34 HA2 GLY 34 -10.758 28.459 -2.074 132 HA3 GLY 34 HA3 GLY 34 -10.171 28.718 -0.438 133 HA1 GLY 34 HA1 GLY 34 -11.628 28.374 -1.948 134 H ALA 35 H ALA 35 -13.235 27.493 -1.788 135 HA ALA 35 HA ALA 35 -12.749 24.924 -0.481 136 HB1 ALA 35 HB1 ALA 35 -15.332 25.185 0.180 137 HB2 ALA 35 HB2 ALA 35 -14.009 25.645 1.254 138 HB3 ALA 35 HB3 ALA 35 -14.831 26.874 0.291 139 H ARG 36 H ARG 36 -13.657 23.197 -1.517 140 HA ARG 36 HA ARG 36 -15.184 23.804 -3.963 141 HB2 ARG 36 HB1 ARG 36 -14.264 21.576 -4.777 142 HB3 ARG 36 HB2 ARG 36 -13.110 22.911 -4.649 143 HG2 ARG 36 HG1 ARG 36 -12.319 22.032 -2.497 144 HG3 ARG 36 HG2 ARG 36 -13.452 20.681 -2.657 145 HD2 ARG 36 HD1 ARG 36 -11.754 19.595 -3.645 146 HD3 ARG 36 HD2 ARG 36 -12.135 20.600 -5.050 147 HE ARG 36 HE ARG 36 -10.202 21.783 -4.697 148 HH11 ARG 36 HH11 ARG 36 -10.917 19.872 -1.878 149 HH12 ARG 36 HH12 ARG 36 -9.397 20.194 -1.112 150 HH21 ARG 36 HH21 ARG 36 -8.196 22.215 -3.700 151 HH22 ARG 36 HH22 ARG 36 -7.851 21.529 -2.150 152 H LYS 37 H LYS 37 -16.262 21.558 -4.712 153 HA LYS 37 HA LYS 37 -17.712 20.493 -2.379 154 HB2 LYS 37 HB1 LYS 37 -18.718 21.685 -4.905 155 HB3 LYS 37 HB2 LYS 37 -19.564 20.243 -4.319 156 HG2 LYS 37 HG1 LYS 37 -19.097 22.179 -2.198 157 HG3 LYS 37 HG2 LYS 37 -20.040 22.845 -3.544 158 HD2 LYS 37 HD1 LYS 37 -21.721 21.946 -2.258 159 HD3 LYS 37 HD2 LYS 37 -21.361 20.587 -3.337 160 HE2 LYS 37 HE1 LYS 37 -20.848 19.293 -1.598 161 HE3 LYS 37 HE2 LYS 37 -19.607 20.450 -1.096 162 HZ1 LYS 37 HZ1 LYS 37 -20.869 21.117 0.583 163 HZ2 LYS 37 HZ2 LYS 37 -21.940 19.857 0.232 164 HZ3 LYS 37 HZ3 LYS 37 -22.200 21.394 -0.424 165 H GLY 38 H GLY 38 -16.634 18.564 -2.225 166 HA2 GLY 38 HA2 GLY 38 -17.344 16.279 -3.261 167 HA3 GLY 38 HA3 GLY 38 -16.435 16.896 -4.633 168 HA1 GLY 38 HA1 GLY 38 -16.965 16.697 -2.584 169 H SER 39 H SER 39 -15.861 14.510 -3.175 170 HA SER 39 HA SER 39 -13.086 15.037 -2.563 171 HB2 SER 39 HB1 SER 39 -15.079 14.230 -0.463 172 HB3 SER 39 HB2 SER 39 -13.406 13.649 -0.360 173 HG SER 39 HG SER 39 -14.060 15.788 0.662 174 H GLN 40 H GLN 40 -11.951 13.483 -3.499 175 HA GLN 40 HA GLN 40 -13.211 11.107 -4.483 176 HB2 GLN 40 HB1 GLN 40 -10.989 12.590 -5.189 177 HB3 GLN 40 HB2 GLN 40 -10.290 11.109 -4.514 178 HG2 GLN 40 HG1 GLN 40 -10.515 10.349 -6.614 179 HG3 GLN 40 HG2 GLN 40 -12.178 10.042 -6.096 180 HE21 GLN 40 HE21 GLN 40 -10.110 12.399 -7.701 181 HE22 GLN 40 HE22 GLN 40 -11.350 13.089 -8.685 182 H CYS 41 H CYS 41 -10.477 11.624 -2.246 183 HA CYS 41 HA CYS 41 -11.407 9.456 -0.567 184 HB2 CYS 41 HB1 CYS 41 -9.463 8.085 -0.725 185 HB3 CYS 41 HB2 CYS 41 -10.027 8.371 -2.372 186 H LEU 42 H LEU 42 -10.614 9.553 1.518 187 HA LEU 42 HA LEU 42 -9.139 12.004 2.159 188 HB2 LEU 42 HB1 LEU 42 -11.263 10.457 3.439 189 HB3 LEU 42 HB2 LEU 42 -9.958 10.912 4.548 190 HG LEU 42 HG LEU 42 -10.530 13.263 3.192 191 HD11 LEU 42 HD11 LEU 42 -13.136 12.000 4.005 192 HD12 LEU 42 HD12 LEU 42 -12.576 12.081 2.336 193 HD13 LEU 42 HD13 LEU 42 -12.881 13.567 3.236 194 HD21 LEU 42 HD21 LEU 42 -11.872 12.637 5.777 195 HD22 LEU 42 HD22 LEU 42 -10.979 14.078 5.288 196 HD23 LEU 42 HD23 LEU 42 -10.111 12.596 5.698 197 H SER 43 H SER 43 -8.948 8.544 2.313 198 HA SER 43 HA SER 43 -6.194 8.760 3.261 199 HB2 SER 43 HB1 SER 43 -8.384 7.743 4.854 200 HB3 SER 43 HB2 SER 43 -7.197 6.465 4.544 201 HG SER 43 HG SER 43 -6.067 7.379 6.052 202 H ASP 44 H ASP 44 -4.895 6.908 2.774 203 HA ASP 44 HA ASP 44 -5.292 5.837 0.242 204 HB2 ASP 44 HB1 ASP 44 -3.490 4.206 0.859 205 HB3 ASP 44 HB2 ASP 44 -3.084 5.896 1.185 206 HD2 ASP 44 HD ASP 44 -3.576 3.467 4.278 207 H THR 45 H THR 45 -6.304 4.660 3.372 208 HA THR 45 HA THR 45 -6.864 2.002 2.772 209 HB THR 45 HB THR 45 -8.762 3.502 4.524 210 HG1 THR 45 HG1 THR 45 -7.219 3.818 6.068 211 HG21 THR 45 HG21 THR 45 -7.591 0.798 4.318 212 HG22 THR 45 HG22 THR 45 -9.199 1.302 4.840 213 HG23 THR 45 HG23 THR 45 -7.835 1.411 5.952 214 H ASP 46 H ASP 46 -8.514 4.897 1.831 215 HA ASP 46 HA ASP 46 -11.033 3.745 1.218 216 HB2 ASP 46 HB1 ASP 46 -10.135 6.285 1.393 217 HB3 ASP 46 HB2 ASP 46 -10.120 6.080 -0.363 218 HD2 ASP 46 HD ASP 46 -13.502 6.492 -0.523 219 H CYS 47 H CYS 47 -7.999 3.942 -0.468 220 HA CYS 47 HA CYS 47 -8.941 3.436 -3.083 221 HB2 CYS 47 HB1 CYS 47 -6.270 2.963 -1.753 222 HB3 CYS 47 HB2 CYS 47 -6.557 2.632 -3.463 223 H ASN 48 H ASN 48 -8.326 1.388 -0.345 224 HA ASN 48 HA ASN 48 -8.686 -0.825 0.035 225 HB2 ASN 48 HB1 ASN 48 -10.723 -0.007 -1.690 226 HB3 ASN 48 HB2 ASN 48 -10.097 -1.490 -2.419 227 HD21 ASN 48 HD21 ASN 48 -11.386 -3.098 -1.896 228 HD22 ASN 48 HD22 ASN 48 -12.004 -3.433 -0.317 229 H THR 49 H THR 49 -6.432 0.150 -1.669 230 HA THR 49 HA THR 49 -5.569 -2.473 -2.584 231 HB THR 49 HB THR 49 -4.666 -0.721 -4.606 232 HG1 THR 49 HG1 THR 49 -6.290 0.583 -4.924 233 HG21 THR 49 HG21 THR 49 -6.210 -2.199 -6.016 234 HG22 THR 49 HG22 THR 49 -6.618 -3.007 -4.502 235 HG23 THR 49 HG23 THR 49 -4.952 -3.006 -5.081 236 H ARG 50 H ARG 50 -3.204 -2.190 -3.511 237 HA ARG 50 HA ARG 50 -1.686 -1.009 -1.372 238 HB2 ARG 50 HB1 ARG 50 0.281 -1.911 -2.623 239 HB3 ARG 50 HB2 ARG 50 -0.942 -3.125 -2.218 240 HG2 ARG 50 HG1 ARG 50 -1.653 -2.144 -4.752 241 HG3 ARG 50 HG2 ARG 50 0.102 -2.389 -4.782 242 HD2 ARG 50 HD1 ARG 50 -0.101 -4.679 -4.179 243 HD3 ARG 50 HD2 ARG 50 -1.805 -4.474 -3.753 244 HE ARG 50 HE ARG 50 -2.365 -4.693 -5.968 245 HH11 ARG 50 HH11 ARG 50 1.069 -4.190 -5.680 246 HH12 ARG 50 HH12 ARG 50 1.391 -4.540 -7.345 247 HH21 ARG 50 HH21 ARG 50 -1.952 -5.154 -8.163 248 HH22 ARG 50 HH22 ARG 50 -0.328 -5.087 -8.758 249 H LYS 51 H LYS 51 -2.712 1.160 -2.118 250 HA LYS 51 HA LYS 51 -0.637 2.573 -3.599 251 HB2 LYS 51 HB1 LYS 51 -3.552 2.991 -4.278 252 HB3 LYS 51 HB2 LYS 51 -2.137 3.668 -5.102 253 HG2 LYS 51 HG1 LYS 51 -1.504 1.463 -5.906 254 HG3 LYS 51 HG2 LYS 51 -2.875 0.747 -5.039 255 HD2 LYS 51 HD1 LYS 51 -4.441 1.607 -6.499 256 HD3 LYS 51 HD2 LYS 51 -3.392 2.950 -6.985 257 HE2 LYS 51 HE1 LYS 51 -2.890 1.782 -8.822 258 HE3 LYS 51 HE2 LYS 51 -2.004 0.671 -7.766 259 HZ1 LYS 51 HZ1 LYS 51 -3.410 -0.849 -8.560 260 HZ2 LYS 51 HZ2 LYS 51 -4.519 0.299 -9.119 261 HZ3 LYS 51 HZ3 LYS 51 -4.546 -0.183 -7.498 262 H PHE 52 H PHE 52 -0.801 4.932 -3.347 263 HA PHE 52 HA PHE 52 -1.939 5.596 -0.723 264 HB2 PHE 52 HB1 PHE 52 -0.350 7.529 -0.779 265 HB3 PHE 52 HB2 PHE 52 0.435 5.949 -0.801 266 HD1 PHE 52 HD1 PHE 52 1.883 5.321 -2.530 267 HD2 PHE 52 HD2 PHE 52 -0.570 8.772 -2.973 268 HE1 PHE 52 HE1 PHE 52 3.118 5.934 -4.567 269 HE2 PHE 52 HE2 PHE 52 0.662 9.390 -5.011 270 HZ PHE 52 HZ PHE 52 2.507 7.970 -5.812 271 H CYS 53 H CYS 53 -2.849 7.749 -0.426 272 HA CYS 53 HA CYS 53 -4.455 8.515 -2.741 273 HB2 CYS 53 HB1 CYS 53 -4.739 8.686 0.194 274 HB3 CYS 53 HB2 CYS 53 -5.367 10.072 -0.699 275 H LEU 54 H LEU 54 -3.273 9.838 -4.023 276 HA LEU 54 HA LEU 54 -1.602 11.915 -2.925 277 HB2 LEU 54 HB1 LEU 54 -1.378 10.506 -5.153 278 HB3 LEU 54 HB2 LEU 54 -2.356 11.833 -5.803 279 HG LEU 54 HG LEU 54 0.029 12.173 -6.215 280 HD11 LEU 54 HD11 LEU 54 -1.118 14.115 -4.213 281 HD12 LEU 54 HD12 LEU 54 -1.426 14.114 -5.949 282 HD13 LEU 54 HD13 LEU 54 0.196 14.444 -5.342 283 HD21 LEU 54 HD21 LEU 54 0.474 11.033 -3.821 284 HD22 LEU 54 HD22 LEU 54 0.618 12.735 -3.378 285 HD23 LEU 54 HD23 LEU 54 1.646 12.062 -4.644 286 H GLN 55 H GLN 55 -2.522 13.670 -2.088 287 HA GLN 55 HA GLN 55 -4.850 14.827 -3.471 288 HB2 GLN 55 HB1 GLN 55 -5.292 15.976 -1.269 289 HB3 GLN 55 HB2 GLN 55 -5.497 14.217 -1.266 290 HG2 GLN 55 HG1 GLN 55 -2.794 14.859 -0.562 291 HG3 GLN 55 HG2 GLN 55 -3.915 15.778 0.451 292 HE21 GLN 55 HE21 GLN 55 -3.266 14.565 2.259 293 HE22 GLN 55 HE22 GLN 55 -3.834 12.955 2.513 294 HA PRO 56 HA PRO 56 -1.488 17.830 -4.281 295 HB2 PRO 56 HB1 PRO 56 -2.512 18.650 -6.687 296 HB3 PRO 56 HB2 PRO 56 -1.503 17.216 -6.496 297 HG2 PRO 56 HG1 PRO 56 -4.492 17.433 -6.630 298 HG3 PRO 56 HG2 PRO 56 -3.395 16.272 -7.465 299 HD2 PRO 56 HD1 PRO 56 -4.817 15.611 -5.248 300 HD3 PRO 56 HD2 PRO 56 -3.209 14.948 -5.587 301 H ARG 57 H ARG 57 -1.498 20.074 -4.148 302 HA ARG 57 HA ARG 57 -3.896 21.226 -3.022 303 HB2 ARG 57 HB1 ARG 57 -2.529 23.152 -2.513 304 HB3 ARG 57 HB2 ARG 57 -1.659 21.678 -2.061 305 HG2 ARG 57 HG1 ARG 57 -0.313 21.815 -4.090 306 HG3 ARG 57 HG2 ARG 57 -1.199 23.271 -4.575 307 HD2 ARG 57 HD1 ARG 57 0.480 24.373 -3.558 308 HD3 ARG 57 HD2 ARG 57 -0.400 23.966 -2.078 309 HE ARG 57 HE ARG 57 1.335 21.851 -2.726 310 HH11 ARG 57 HH11 ARG 57 1.407 25.142 -1.591 311 HH12 ARG 57 HH12 ARG 57 2.889 24.945 -0.716 312 HH21 ARG 57 HH21 ARG 57 3.288 21.580 -1.578 313 HH22 ARG 57 HH22 ARG 57 3.959 22.919 -0.710 314 H ASP 58 H ASP 58 -2.083 21.398 -6.003 315 HA ASP 58 HA ASP 58 -3.605 23.658 -6.993 316 HB2 ASP 58 HB1 ASP 58 -1.081 22.737 -7.518 317 HB3 ASP 58 HB2 ASP 58 -1.981 22.132 -8.914 318 HD2 ASP 58 HD ASP 58 -2.881 25.735 -9.331 319 H GLU 59 H GLU 59 -3.736 20.215 -7.083 320 HA GLU 59 HA GLU 59 -5.931 20.364 -9.044 321 HB2 GLU 59 HB1 GLU 59 -3.547 18.899 -9.234 322 HB3 GLU 59 HB2 GLU 59 -4.793 17.715 -8.808 323 HG2 GLU 59 HG1 GLU 59 -5.656 17.736 -10.851 324 HG3 GLU 59 HG2 GLU 59 -5.721 19.504 -10.872 325 HE2 GLU 59 HE GLU 59 -2.341 17.903 -12.230 326 H LYS 60 H LYS 60 -7.182 18.077 -8.831 327 HA LYS 60 HA LYS 60 -8.282 18.146 -6.146 328 HB2 LYS 60 HB1 LYS 60 -9.145 17.119 -8.799 329 HB3 LYS 60 HB2 LYS 60 -9.778 16.287 -7.370 330 HG2 LYS 60 HG1 LYS 60 -11.001 18.094 -6.665 331 HG3 LYS 60 HG2 LYS 60 -9.934 19.256 -7.476 332 HD2 LYS 60 HD1 LYS 60 -11.481 19.376 -9.085 333 HD3 LYS 60 HD2 LYS 60 -10.958 17.750 -9.559 334 HE2 LYS 60 HE1 LYS 60 -13.197 17.353 -9.285 335 HE3 LYS 60 HE2 LYS 60 -12.625 17.029 -7.641 336 HZ1 LYS 60 HZ1 LYS 60 -14.615 18.706 -8.219 337 HZ2 LYS 60 HZ2 LYS 60 -13.318 19.790 -8.184 338 HZ3 LYS 60 HZ3 LYS 60 -13.658 18.833 -6.831 339 HA PRO 61 HA PRO 61 -6.477 14.465 -4.583 340 HB2 PRO 61 HB1 PRO 61 -8.558 13.313 -3.224 341 HB3 PRO 61 HB2 PRO 61 -7.726 14.770 -2.680 342 HG2 PRO 61 HG1 PRO 61 -10.292 14.505 -4.210 343 HG3 PRO 61 HG2 PRO 61 -9.913 15.552 -2.792 344 HD2 PRO 61 HD1 PRO 61 -9.977 16.495 -5.337 345 HD3 PRO 61 HD2 PRO 61 -8.861 17.122 -4.112 346 H PHE 62 H PHE 62 -6.008 12.475 -5.318 347 HA PHE 62 HA PHE 62 -8.036 10.776 -6.482 348 HB2 PHE 62 HB1 PHE 62 -7.102 10.584 -8.663 349 HB3 PHE 62 HB2 PHE 62 -7.280 12.309 -8.343 350 HD1 PHE 62 HD1 PHE 62 -5.122 9.927 -9.633 351 HD2 PHE 62 HD2 PHE 62 -5.131 13.399 -7.168 352 HE1 PHE 62 HE1 PHE 62 -2.740 10.287 -10.135 353 HE2 PHE 62 HE2 PHE 62 -2.751 13.764 -7.668 354 HZ PHE 62 HZ PHE 62 -1.551 12.209 -9.153 355 H CYS 63 H CYS 63 -7.343 8.607 -6.771 356 HA CYS 63 HA CYS 63 -5.238 7.849 -4.952 357 HB2 CYS 63 HB1 CYS 63 -7.449 6.654 -5.157 358 HB3 CYS 63 HB2 CYS 63 -6.902 6.053 -6.723 359 H ALA 64 H ALA 64 -3.183 7.715 -5.531 360 HA ALA 64 HA ALA 64 -2.544 7.068 -8.334 361 HB1 ALA 64 HB1 ALA 64 -1.776 9.272 -7.724 362 HB2 ALA 64 HB2 ALA 64 -0.940 8.625 -6.311 363 HB3 ALA 64 HB3 ALA 64 -0.387 8.205 -7.931 364 H THR 65 H THR 65 -1.195 5.400 -8.797 365 HA THR 65 HA THR 65 -0.882 3.323 -6.927 366 HB THR 65 HB THR 65 -0.951 2.960 -9.376 367 HG1 THR 65 HG1 THR 65 0.426 1.244 -9.269 368 HG21 THR 65 HG21 THR 65 0.834 4.951 -9.604 369 HG22 THR 65 HG22 THR 65 0.628 3.702 -10.832 370 HG23 THR 65 HG23 THR 65 1.932 3.571 -9.652 371 H CYS 66 H CYS 66 1.343 2.276 -6.555 372 HA CYS 66 HA CYS 66 2.846 3.898 -4.866 373 HB2 CYS 66 HB1 CYS 66 2.904 1.181 -5.787 374 HB3 CYS 66 HB2 CYS 66 4.545 1.831 -5.813 375 H ARG 67 H ARG 67 5.338 4.104 -5.161 376 HA ARG 67 HA ARG 67 5.779 5.435 -7.747 377 HB2 ARG 67 HB1 ARG 67 7.364 5.853 -5.210 378 HB3 ARG 67 HB2 ARG 67 7.339 6.872 -6.657 379 HG2 ARG 67 HG1 ARG 67 4.686 6.814 -5.840 380 HG3 ARG 67 HG2 ARG 67 5.616 6.921 -4.336 381 HD2 ARG 67 HD1 ARG 67 5.738 9.124 -4.720 382 HD3 ARG 67 HD2 ARG 67 6.900 8.712 -5.988 383 HE ARG 67 HE ARG 67 4.336 8.497 -7.073 384 HH11 ARG 67 HH11 ARG 67 6.472 10.938 -5.808 385 HH12 ARG 67 HH12 ARG 67 5.821 12.204 -6.795 386 HH21 ARG 67 HH21 ARG 67 3.470 10.156 -8.377 387 HH22 ARG 67 HH22 ARG 67 4.114 11.759 -8.255 388 H GLY 68 H GLY 68 7.968 5.348 -8.643 389 HA2 GLY 68 HA2 GLY 68 9.117 2.673 -8.245 390 HA3 GLY 68 HA3 GLY 68 9.314 3.670 -9.679 391 HA1 GLY 68 HA1 GLY 68 9.141 3.272 -7.598 392 H LEU 69 H LEU 69 11.592 2.807 -9.105 393 HA LEU 69 HA LEU 69 12.993 4.050 -6.965 394 HB2 LEU 69 HB1 LEU 69 13.963 2.718 -9.498 395 HB3 LEU 69 HB2 LEU 69 15.024 3.268 -8.188 396 HG LEU 69 HG LEU 69 12.958 1.077 -8.036 397 HD11 LEU 69 HD11 LEU 69 14.614 -0.367 -8.398 398 HD12 LEU 69 HD12 LEU 69 15.701 0.478 -7.297 399 HD13 LEU 69 HD13 LEU 69 15.551 1.012 -8.971 400 HD21 LEU 69 HD21 LEU 69 14.693 2.308 -5.904 401 HD22 LEU 69 HD22 LEU 69 13.903 0.739 -5.739 402 HD23 LEU 69 HD23 LEU 69 12.933 2.201 -5.936 403 H ARG 70 H ARG 70 12.215 4.982 -10.211 404 HA ARG 70 HA ARG 70 14.125 7.189 -10.170 405 HB2 ARG 70 HB1 ARG 70 12.190 6.234 -12.294 406 HB3 ARG 70 HB2 ARG 70 13.286 7.612 -12.482 407 HG2 ARG 70 HG1 ARG 70 14.685 5.213 -11.621 408 HG3 ARG 70 HG2 ARG 70 13.823 4.993 -13.153 409 HD2 ARG 70 HD1 ARG 70 14.909 7.021 -14.048 410 HD3 ARG 70 HD2 ARG 70 15.793 7.189 -12.525 411 HE ARG 70 HE ARG 70 16.441 4.689 -13.331 412 HH11 ARG 70 HH11 ARG 70 16.531 7.806 -14.881 413 HH12 ARG 70 HH12 ARG 70 17.882 7.409 -15.891 414 HH21 ARG 70 HH21 ARG 70 18.219 4.156 -14.656 415 HH22 ARG 70 HH22 ARG 70 18.840 5.333 -15.764 416 H ARG 71 H ARG 71 11.432 6.806 -8.618 417 HA ARG 71 HA ARG 71 10.210 9.368 -9.385 418 HB2 ARG 71 HB1 ARG 71 9.169 6.839 -8.249 419 HB3 ARG 71 HB2 ARG 71 8.458 8.329 -7.609 420 HG2 ARG 71 HG1 ARG 71 8.684 8.056 -10.565 421 HG3 ARG 71 HG2 ARG 71 7.456 7.099 -9.719 422 HD2 ARG 71 HD1 ARG 71 7.071 9.518 -8.554 423 HD3 ARG 71 HD2 ARG 71 7.613 10.007 -10.165 424 HE ARG 71 HE ARG 71 5.094 8.862 -9.490 425 HH11 ARG 71 HH11 ARG 71 7.490 9.063 -12.007 426 HH12 ARG 71 HH12 ARG 71 6.361 8.764 -13.286 427 HH21 ARG 71 HH21 ARG 71 3.597 8.467 -11.165 428 HH22 ARG 71 HH22 ARG 71 4.146 8.426 -12.806 429 H ARG 72 H ARG 72 9.738 10.929 -7.803 430 HA ARG 72 HA ARG 72 11.648 11.019 -5.648 431 HB2 ARG 72 HB1 ARG 72 9.452 12.961 -6.408 432 HB3 ARG 72 HB2 ARG 72 10.748 13.271 -5.243 433 HG2 ARG 72 HG1 ARG 72 11.828 12.416 -7.785 434 HG3 ARG 72 HG2 ARG 72 10.774 13.828 -7.965 435 HD2 ARG 72 HD1 ARG 72 13.134 13.572 -6.087 436 HD3 ARG 72 HD2 ARG 72 13.058 14.537 -7.567 437 HE ARG 72 HE ARG 72 11.009 15.257 -5.715 438 HH11 ARG 72 HH11 ARG 72 14.381 15.669 -6.475 439 HH12 ARG 72 HH12 ARG 72 14.506 17.206 -5.684 440 HH21 ARG 72 HH21 ARG 72 11.161 17.280 -4.670 441 HH22 ARG 72 HH22 ARG 72 12.674 18.121 -4.657 442 H CYS 73 H CYS 73 11.050 11.512 -3.424 443 HA CYS 73 HA CYS 73 8.365 10.811 -2.578 444 HB2 CYS 73 HB1 CYS 73 8.981 8.979 -1.173 445 HB3 CYS 73 HB2 CYS 73 9.604 8.637 -2.788 446 H GLN 74 H GLN 74 7.877 11.480 -0.472 447 HA GLN 74 HA GLN 74 9.891 13.266 0.721 448 HB2 GLN 74 HB1 GLN 74 6.871 13.388 0.889 449 HB3 GLN 74 HB2 GLN 74 7.987 14.507 1.687 450 HG2 GLN 74 HG1 GLN 74 8.681 15.460 -0.340 451 HG3 GLN 74 HG2 GLN 74 7.995 14.131 -1.285 452 HE21 GLN 74 HE21 GLN 74 7.575 17.250 -0.587 453 HE22 GLN 74 HE22 GLN 74 5.861 17.388 -0.762 454 H ARG 75 H ARG 75 7.657 10.658 1.310 455 HA ARG 75 HA ARG 75 8.681 10.469 4.066 456 HB2 ARG 75 HB1 ARG 75 5.937 9.614 3.118 457 HB3 ARG 75 HB2 ARG 75 6.545 9.576 4.780 458 HG2 ARG 75 HG1 ARG 75 6.540 11.939 4.951 459 HG3 ARG 75 HG2 ARG 75 6.281 12.121 3.208 460 HD2 ARG 75 HD1 ARG 75 4.049 11.388 3.335 461 HD3 ARG 75 HD2 ARG 75 4.295 10.690 4.943 462 HE ARG 75 HE ARG 75 4.667 13.544 4.835 463 HH11 ARG 75 HH11 ARG 75 2.387 10.950 5.268 464 HH12 ARG 75 HH12 ARG 75 1.254 11.918 6.152 465 HH21 ARG 75 HH21 ARG 75 3.184 14.830 5.997 466 HH22 ARG 75 HH22 ARG 75 1.708 14.125 6.565 467 H ASP 76 H ASP 76 9.122 8.404 4.864 468 HA ASP 76 HA ASP 76 10.059 6.529 2.967 469 HB2 ASP 76 HB1 ASP 76 9.520 5.888 5.866 470 HB3 ASP 76 HB2 ASP 76 10.778 5.235 4.809 471 HD2 ASP 76 HD ASP 76 12.334 8.566 5.079 472 H ALA 77 H ALA 77 7.036 6.918 4.618 473 HA ALA 77 HA ALA 77 6.117 4.234 4.090 474 HB1 ALA 77 HB1 ALA 77 4.353 4.721 5.419 475 HB2 ALA 77 HB2 ALA 77 5.417 6.021 5.956 476 HB3 ALA 77 HB3 ALA 77 4.163 6.346 4.761 477 H MET 78 H MET 78 6.020 7.325 2.516 478 HA MET 78 HA MET 78 3.809 6.949 0.832 479 HB2 MET 78 HB1 MET 78 6.235 8.674 0.817 480 HB3 MET 78 HB2 MET 78 5.355 8.501 -0.708 481 HG2 MET 78 HG1 MET 78 3.267 9.177 0.518 482 HG3 MET 78 HG2 MET 78 4.297 9.554 1.901 483 HE1 MET 78 HE1 MET 78 3.880 9.862 -1.752 484 HE2 MET 78 HE2 MET 78 3.827 11.597 -2.066 485 HE3 MET 78 HE3 MET 78 5.372 10.743 -2.086 486 H CYS 79 H CYS 79 7.145 5.885 0.578 487 HA CYS 79 HA CYS 79 6.747 4.849 -2.105 488 HB2 CYS 79 HB1 CYS 79 9.014 5.443 -0.372 489 HB3 CYS 79 HB2 CYS 79 9.176 3.871 -1.156 490 H CYS 80 H CYS 80 6.789 2.670 -2.675 491 HA CYS 80 HA CYS 80 5.422 0.894 -1.034 492 HB2 CYS 80 HB1 CYS 80 6.841 0.771 -3.602 493 HB3 CYS 80 HB2 CYS 80 6.817 -0.766 -2.732 494 HA PRO 81 HA PRO 81 8.329 -0.933 1.695 495 HB2 PRO 81 HB1 PRO 81 7.566 -3.563 1.701 496 HB3 PRO 81 HB2 PRO 81 6.628 -2.277 2.457 497 HG2 PRO 81 HG1 PRO 81 6.293 -3.541 -0.241 498 HG3 PRO 81 HG2 PRO 81 5.042 -3.149 0.997 499 HD2 PRO 81 HD1 PRO 81 5.472 -1.601 -1.192 500 HD3 PRO 81 HD2 PRO 81 4.978 -0.932 0.374 501 H GLY 82 H GLY 82 10.319 -1.907 1.739 502 HA2 GLY 82 HA2 GLY 82 11.864 -3.590 0.925 503 HA3 GLY 82 HA3 GLY 82 11.131 -3.414 -0.663 504 HA1 GLY 82 HA1 GLY 82 11.823 -2.766 1.239 505 H THR 83 H THR 83 11.112 -0.411 -0.189 506 HA THR 83 HA THR 83 13.963 0.038 -0.791 507 HB THR 83 HB THR 83 12.820 2.169 -1.968 508 HG1 THR 83 HG1 THR 83 10.689 1.487 -1.557 509 HG21 THR 83 HG21 THR 83 13.935 1.238 -3.656 510 HG22 THR 83 HG22 THR 83 12.621 0.083 -3.882 511 HG23 THR 83 HG23 THR 83 13.961 -0.304 -2.802 512 H LEU 84 H LEU 84 14.547 2.445 -0.513 513 HA LEU 84 HA LEU 84 13.252 3.523 1.899 514 HB2 LEU 84 HB1 LEU 84 16.217 3.348 1.338 515 HB3 LEU 84 HB2 LEU 84 15.486 4.224 2.695 516 HG LEU 84 HG LEU 84 15.172 1.255 2.296 517 HD11 LEU 84 HD11 LEU 84 17.229 2.762 3.899 518 HD12 LEU 84 HD12 LEU 84 17.522 1.670 2.546 519 HD13 LEU 84 HD13 LEU 84 16.893 1.039 4.068 520 HD21 LEU 84 HD21 LEU 84 13.692 2.882 3.824 521 HD22 LEU 84 HD22 LEU 84 15.021 2.566 4.941 522 HD23 LEU 84 HD23 LEU 84 14.085 1.224 4.281 523 H CYS 85 H CYS 85 13.492 5.816 2.203 524 HA CYS 85 HA CYS 85 13.478 7.240 -0.327 525 HB2 CYS 85 HB1 CYS 85 12.509 7.739 2.428 526 HB3 CYS 85 HB2 CYS 85 13.030 9.165 1.530 527 H VAL 86 H VAL 86 15.457 7.693 -1.092 528 HA VAL 86 HA VAL 86 17.385 8.954 0.749 529 HB VAL 86 HB VAL 86 17.972 7.388 -1.768 530 HG11 VAL 86 HG11 VAL 86 20.347 7.594 -0.934 531 HG12 VAL 86 HG12 VAL 86 19.625 9.074 -1.566 532 HG13 VAL 86 HG13 VAL 86 19.760 8.831 0.176 533 HG21 VAL 86 HG21 VAL 86 19.031 5.780 -0.208 534 HG22 VAL 86 HG22 VAL 86 18.382 6.711 1.143 535 HG23 VAL 86 HG23 VAL 86 17.286 5.915 0.013 536 H ASN 87 H ASN 87 17.954 10.990 0.340 537 HA ASN 87 HA ASN 87 18.019 13.047 -0.634 538 HB2 ASN 87 HB1 ASN 87 19.435 11.336 -2.219 539 HB3 ASN 87 HB2 ASN 87 18.275 11.994 -3.379 540 HD21 ASN 87 HD21 ASN 87 21.076 12.411 -3.417 541 HD22 ASN 87 HD22 ASN 87 21.356 14.104 -3.218 542 H ASP 88 H ASP 88 15.439 12.017 -0.266 543 HA ASP 88 HA ASP 88 13.275 12.461 -0.809 544 HB2 ASP 88 HB1 ASP 88 14.740 14.706 -1.617 545 HB3 ASP 88 HB2 ASP 88 13.697 14.323 -2.993 546 HD2 ASP 88 HD ASP 88 12.021 15.646 0.331 547 H VAL 89 H VAL 89 14.880 10.452 -2.291 548 HA VAL 89 HA VAL 89 13.002 10.085 -4.508 549 HB VAL 89 HB VAL 89 15.994 9.776 -4.795 550 HG11 VAL 89 HG11 VAL 89 13.732 9.194 -6.698 551 HG12 VAL 89 HG12 VAL 89 15.426 9.293 -7.179 552 HG13 VAL 89 HG13 VAL 89 14.902 8.051 -6.041 553 HG21 VAL 89 HG21 VAL 89 15.907 11.612 -6.324 554 HG22 VAL 89 HG22 VAL 89 14.147 11.677 -6.231 555 HG23 VAL 89 HG23 VAL 89 15.121 12.120 -4.829 556 H CYS 90 H CYS 90 12.504 7.962 -4.970 557 HA CYS 90 HA CYS 90 12.881 6.079 -2.881 558 HB2 CYS 90 HB1 CYS 90 11.096 6.385 -4.958 559 HB3 CYS 90 HB2 CYS 90 12.030 4.975 -5.462 560 H THR 91 H THR 91 14.768 5.126 -2.502 561 HA THR 91 HA THR 91 16.270 4.047 -4.797 562 HB THR 91 HB THR 91 17.502 5.075 -2.236 563 HG1 THR 91 HG1 THR 91 17.236 6.266 -4.808 564 HG21 THR 91 HG21 THR 91 19.609 4.898 -3.530 565 HG22 THR 91 HG22 THR 91 18.706 4.146 -4.845 566 HG23 THR 91 HG23 THR 91 18.826 3.338 -3.282 567 H THR 92 H THR 92 17.222 2.031 -4.550 568 HA THR 92 HA THR 92 15.913 0.250 -2.759 569 HB THR 92 HB THR 92 18.113 -1.137 -3.723 570 HG1 THR 92 HG1 THR 92 17.989 -0.469 -6.021 571 HG21 THR 92 HG21 THR 92 16.239 -1.584 -5.640 572 HG22 THR 92 HG22 THR 92 15.250 -0.889 -4.356 573 HG23 THR 92 HG23 THR 92 16.222 -2.326 -4.041 574 H MET 93 H MET 93 16.752 -0.923 -1.026 575 HA MET 93 HA MET 93 18.446 0.444 0.725 576 HB2 MET 93 HB1 MET 93 16.801 -1.211 1.468 577 HB3 MET 93 HB2 MET 93 17.740 -2.496 0.693 578 HG2 MET 93 HG1 MET 93 19.470 -2.365 2.255 579 HG3 MET 93 HG2 MET 93 18.967 -0.762 2.796 580 HE1 MET 93 HE1 MET 93 18.400 -2.475 6.059 581 HE2 MET 93 HE2 MET 93 19.395 -3.513 5.039 582 HE3 MET 93 HE3 MET 93 19.594 -1.761 4.975 583 H GLU 94 H GLU 94 19.105 -2.192 -1.534 584 HA GLU 94 HA GLU 94 21.748 -2.715 -0.728 585 HB2 GLU 94 HB1 GLU 94 20.398 -3.066 -3.414 586 HB3 GLU 94 HB2 GLU 94 22.001 -3.704 -3.013 587 HG2 GLU 94 HG1 GLU 94 19.578 -4.404 -1.380 588 HG3 GLU 94 HG2 GLU 94 20.005 -5.287 -2.853 589 HE2 GLU 94 HE GLU 94 21.835 -7.243 -0.663 590 H ASP 95 H ASP 95 20.374 -0.330 -2.898 591 HA ASP 95 HA ASP 95 22.869 0.516 -4.006 592 HB2 ASP 95 HB1 ASP 95 20.050 1.223 -4.264 593 HB3 ASP 95 HB2 ASP 95 21.100 2.645 -4.281 594 HD2 ASP 95 HD ASP 95 21.900 2.029 -7.537 595 H ALA 96 H ALA 96 20.979 1.378 -1.205 596 HA ALA 96 HA ALA 96 22.530 3.761 -0.656 597 HB1 ALA 96 HB1 ALA 96 20.004 2.803 0.112 598 HB2 ALA 96 HB2 ALA 96 20.967 2.900 1.586 599 HB3 ALA 96 HB3 ALA 96 20.768 4.326 0.569 600 H THR 97 H THR 97 23.379 3.979 1.674 601 HA THR 97 HA THR 97 24.797 3.326 3.343 602 HB THR 97 HB THR 97 24.465 0.442 2.565 603 HG1 THR 97 HG1 THR 97 22.489 0.399 3.429 604 HG21 THR 97 HG21 THR 97 26.054 1.333 4.397 605 HG22 THR 97 HG22 THR 97 24.994 -0.021 4.790 606 HG23 THR 97 HG23 THR 97 24.581 1.607 5.327 607 H GLU 98 H GLU 98 25.302 0.814 0.861 608 HA GLU 98 HA GLU 98 28.156 1.228 0.964 609 HB2 GLU 98 HB1 GLU 98 26.647 -0.959 0.484 610 HB3 GLU 98 HB2 GLU 98 26.995 -0.455 -1.177 611 HG2 GLU 98 HG1 GLU 98 29.320 -0.683 -0.888 612 HG3 GLU 98 HG2 GLU 98 29.160 -0.788 0.872 613 HE2 GLU 98 HE GLU 98 27.559 -4.056 -0.449 614 H ASN 99 H ASN 99 29.362 1.345 -1.186 615 HA ASN 99 HA ASN 99 28.041 2.818 -3.291 616 HB2 ASN 99 HB1 ASN 99 29.860 4.663 -3.095 617 HB3 ASN 99 HB2 ASN 99 28.448 4.740 -2.035 618 HD21 ASN 99 HD21 ASN 99 28.659 4.217 0.153 619 HD22 ASN 99 HD22 ASN 99 30.200 4.204 0.937 620 H LEU 100 H LEU 100 29.328 3.030 -5.188 621 HA LEU 100 HA LEU 100 31.379 0.974 -5.373 622 HB2 LEU 100 HB1 LEU 100 29.359 1.509 -7.012 623 HB3 LEU 100 HB2 LEU 100 30.557 2.611 -7.713 624 HG LEU 100 HG LEU 100 32.025 0.367 -7.642 625 HD11 LEU 100 HD11 LEU 100 30.555 -1.210 -6.833 626 HD12 LEU 100 HD12 LEU 100 30.346 -1.390 -8.574 627 HD13 LEU 100 HD13 LEU 100 29.163 -0.482 -7.634 628 HD21 LEU 100 HD21 LEU 100 31.439 1.899 -9.565 629 HD22 LEU 100 HD22 LEU 100 30.034 0.869 -9.839 630 HD23 LEU 100 HD23 LEU 100 31.660 0.197 -9.969 631 H TYR 101 H TYR 101 33.428 1.355 -6.375 632 HA TYR 101 HA TYR 101 34.730 3.679 -5.429 633 HB2 TYR 101 HB1 TYR 101 35.590 1.496 -7.334 634 HB3 TYR 101 HB2 TYR 101 36.662 2.806 -6.834 635 HD1 TYR 101 HD1 TYR 101 36.174 -0.471 -6.259 636 HD2 TYR 101 HD2 TYR 101 36.314 3.162 -4.048 637 HE1 TYR 101 HE1 TYR 101 36.802 -1.730 -4.242 638 HE2 TYR 101 HE2 TYR 101 36.943 1.913 -2.025 639 HH TYR 101 HH TYR 101 37.168 -0.119 -1.111 640 H PHE 102 H PHE 102 35.831 5.305 -6.662 641 HA PHE 102 HA PHE 102 35.212 5.679 -9.440 642 HB2 PHE 102 HB1 PHE 102 33.936 7.726 -9.235 643 HB3 PHE 102 HB2 PHE 102 33.109 6.434 -8.361 644 HD1 PHE 102 HD1 PHE 102 34.396 9.729 -8.141 645 HD2 PHE 102 HD2 PHE 102 33.520 6.266 -5.828 646 HE1 PHE 102 HE1 PHE 102 34.358 11.105 -6.102 647 HE2 PHE 102 HE2 PHE 102 33.480 7.636 -3.785 648 HZ PHE 102 HZ PHE 102 33.898 10.059 -3.921 649 H GLN 103 H GLN 103 35.916 8.054 -10.064 650 HA GLN 103 HA GLN 103 37.680 9.466 -10.328 651 HB2 GLN 103 HB1 GLN 103 36.764 10.189 -8.076 652 HB3 GLN 103 HB2 GLN 103 38.059 9.227 -7.345 653 HG2 GLN 103 HG1 GLN 103 39.738 10.629 -8.126 654 HG3 GLN 103 HG2 GLN 103 38.695 11.328 -9.371 655 HE21 GLN 103 HE21 GLN 103 39.369 11.242 -5.936 656 HE22 GLN 103 HE22 GLN 103 38.631 12.758 -5.559 657 H SER 104 H SER 104 38.570 7.336 -11.281 658 HA SER 104 HA SER 104 40.897 6.376 -9.783 659 HB2 SER 104 HB1 SER 104 40.861 4.896 -12.091 660 HB3 SER 104 HB2 SER 104 40.061 4.430 -10.579 661 HG SER 104 HG SER 104 38.965 5.260 -12.959 662 H LEU 105 H LEU 105 42.851 7.142 -10.210 663 HA LEU 105 HA LEU 105 43.260 8.825 -12.545 664 HB2 LEU 105 HB1 LEU 105 44.265 8.747 -9.899 665 HB3 LEU 105 HB2 LEU 105 45.632 8.465 -10.990 666 HG LEU 105 HG LEU 105 43.976 10.706 -11.835 667 HD11 LEU 105 HD11 LEU 105 45.453 11.025 -9.233 668 HD12 LEU 105 HD12 LEU 105 43.707 10.798 -9.337 669 HD13 LEU 105 HD13 LEU 105 44.456 12.215 -10.071 670 HD21 LEU 105 HD21 LEU 105 46.065 10.486 -12.848 671 HD22 LEU 105 HD22 LEU 105 46.879 10.158 -11.317 672 HD23 LEU 105 HD23 LEU 105 46.300 11.785 -11.678 673 H GLU 106 H GLU 106 45.752 8.583 -13.318 674 HA GLU 106 HA GLU 106 46.538 5.825 -13.666 675 HB2 GLU 106 HB1 GLU 106 44.822 7.025 -15.568 676 HB3 GLU 106 HB2 GLU 106 46.429 6.944 -16.307 677 HG2 GLU 106 HG1 GLU 106 46.459 4.496 -15.549 678 HG3 GLU 106 HG2 GLU 106 44.719 4.699 -15.308 679 HE2 GLU 106 HE GLU 106 44.978 3.546 -18.661 680 H HIS 107 H HIS 107 48.491 5.725 -15.209 681 HA HIS 107 HA HIS 107 50.183 8.078 -14.678 682 HB2 HIS 107 HB1 HIS 107 50.560 5.388 -13.978 683 HB3 HIS 107 HB2 HIS 107 51.665 5.675 -15.324 684 HD1 HIS 107 HD1 HIS 107 50.797 7.408 -12.044 685 HD2 HIS 107 HD2 HIS 107 54.040 6.690 -14.540 686 HE1 HIS 107 HE1 HIS 107 52.785 8.398 -10.865 687 HE2 HIS 107 HE2 HIS 107 54.768 7.960 -12.390 688 H HIS 108 H HIS 108 51.876 8.528 -16.260 689 HA HIS 108 HA HIS 108 51.406 7.473 -18.944 690 HB2 HIS 108 HB1 HIS 108 50.889 10.260 -18.047 691 HB3 HIS 108 HB2 HIS 108 51.701 10.066 -19.603 692 HD1 HIS 108 HD1 HIS 108 50.379 8.418 -21.348 693 HD2 HIS 108 HD2 HIS 108 48.179 10.038 -18.218 694 HE1 HIS 108 HE1 HIS 108 47.969 8.194 -22.033 695 HE2 HIS 108 HE2 HIS 108 46.624 9.185 -20.120 696 H HIS 109 H HIS 109 53.264 10.038 -17.294 697 HA HIS 109 HA HIS 109 55.477 10.566 -17.318 698 HB2 HIS 109 HB1 HIS 109 55.295 7.717 -17.040 699 HB3 HIS 109 HB2 HIS 109 56.711 8.107 -18.023 700 HD1 HIS 109 HD1 HIS 109 56.259 7.253 -14.787 701 HD2 HIS 109 HD2 HIS 109 57.871 10.689 -16.475 702 HE1 HIS 109 HE1 HIS 109 57.721 8.256 -13.004 703 HE2 HIS 109 HE2 HIS 109 58.707 10.356 -14.035 704 H HIS 110 H HIS 110 57.619 10.076 -18.734 705 HA HIS 110 HA HIS 110 57.128 9.628 -21.519 706 HB2 HIS 110 HB1 HIS 110 56.574 12.198 -20.612 707 HB3 HIS 110 HB2 HIS 110 58.203 12.327 -21.283 708 HD1 HIS 110 HD1 HIS 110 57.743 10.225 -23.614 709 HD2 HIS 110 HD2 HIS 110 55.313 13.476 -22.727 710 HE1 HIS 110 HE1 HIS 110 56.524 10.754 -25.748 711 HE2 HIS 110 HE2 HIS 110 55.036 12.742 -25.207 712 H HIS 111 H HIS 111 58.919 8.801 -19.309 713 HA HIS 111 HA HIS 111 61.103 8.264 -18.963 714 HB2 HIS 111 HB1 HIS 111 60.668 7.492 -21.391 715 HB3 HIS 111 HB2 HIS 111 61.620 8.906 -21.856 716 HD1 HIS 111 HD1 HIS 111 62.153 5.519 -21.600 717 HD2 HIS 111 HD2 HIS 111 64.172 8.777 -19.998 718 HE1 HIS 111 HE1 HIS 111 64.466 4.683 -21.072 719 HE2 HIS 111 HE2 HIS 111 65.700 6.673 -20.093 720 H HIS 112 H HIS 112 61.067 10.378 -17.752 721 HA HIS 112 HA HIS 112 63.368 11.929 -18.565 722 HB2 HIS 112 HB1 HIS 112 60.621 12.937 -18.803 723 HB3 HIS 112 HB2 HIS 112 61.687 13.994 -17.871 724 HD1 HIS 112 HD1 HIS 112 60.874 13.027 -21.306 725 HD2 HIS 112 HD2 HIS 112 64.019 14.896 -19.338 726 HE1 HIS 112 HE1 HIS 112 62.215 14.160 -23.106 727 HE2 HIS 112 HE2 HIS 112 64.136 15.304 -21.905 Start of MODEL 47 1 H1 MET 18 H MET 18 -61.893 -32.030 17.331 2 HA MET 18 HA MET 18 -61.805 -33.176 15.098 3 HB2 MET 18 HB1 MET 18 -64.509 -33.572 15.852 4 HB3 MET 18 HB2 MET 18 -64.516 -32.572 14.392 5 HG2 MET 18 HG1 MET 18 -63.907 -34.266 13.075 6 HG3 MET 18 HG2 MET 18 -62.664 -34.800 14.209 7 HE1 MET 18 HE1 MET 18 -62.792 -37.270 14.759 8 HE2 MET 18 HE2 MET 18 -64.217 -38.208 14.311 9 HE3 MET 18 HE3 MET 18 -63.411 -37.198 13.108 10 H LEU 19 H LEU 19 -61.732 -31.927 13.172 11 HA LEU 19 HA LEU 19 -61.347 -30.002 12.021 12 HB2 LEU 19 HB1 LEU 19 -63.864 -29.283 13.520 13 HB3 LEU 19 HB2 LEU 19 -63.119 -28.214 12.319 14 HG LEU 19 HG LEU 19 -63.974 -31.017 11.645 15 HD11 LEU 19 HD11 LEU 19 -66.005 -30.125 12.324 16 HD12 LEU 19 HD12 LEU 19 -65.970 -29.768 10.598 17 HD13 LEU 19 HD13 LEU 19 -65.594 -28.503 11.767 18 HD21 LEU 19 HD21 LEU 19 -62.984 -30.501 9.725 19 HD22 LEU 19 HD22 LEU 19 -62.699 -28.842 10.252 20 HD23 LEU 19 HD23 LEU 19 -64.226 -29.272 9.480 21 H VAL 20 H VAL 20 -59.385 -29.782 13.346 22 HA VAL 20 HA VAL 20 -59.375 -27.990 15.581 23 HB VAL 20 HB VAL 20 -56.889 -28.087 15.337 24 HG11 VAL 20 HG11 VAL 20 -57.597 -29.667 16.830 25 HG12 VAL 20 HG12 VAL 20 -58.622 -30.484 15.649 26 HG13 VAL 20 HG13 VAL 20 -56.874 -30.712 15.607 27 HG21 VAL 20 HG21 VAL 20 -57.418 -28.755 12.734 28 HG22 VAL 20 HG22 VAL 20 -55.860 -28.938 13.539 29 HG23 VAL 20 HG23 VAL 20 -56.968 -30.307 13.441 30 H LEU 21 H LEU 21 -58.722 -25.869 15.679 31 HA LEU 21 HA LEU 21 -58.853 -24.403 13.166 32 HB2 LEU 21 HB1 LEU 21 -58.812 -23.468 16.041 33 HB3 LEU 21 HB2 LEU 21 -58.954 -22.405 14.630 34 HG LEU 21 HG LEU 21 -61.066 -23.826 14.094 35 HD11 LEU 21 HD11 LEU 21 -60.958 -25.570 15.640 36 HD12 LEU 21 HD12 LEU 21 -62.161 -24.473 16.318 37 HD13 LEU 21 HD13 LEU 21 -60.521 -24.492 16.965 38 HD21 LEU 21 HD21 LEU 21 -60.792 -21.714 16.205 39 HD22 LEU 21 HD22 LEU 21 -62.369 -22.357 15.745 40 HD23 LEU 21 HD23 LEU 21 -61.358 -21.554 14.542 41 H ASP 22 H ASP 22 -57.276 -22.930 12.481 42 HA ASP 22 HA ASP 22 -54.697 -22.996 13.870 43 HB2 ASP 22 HB1 ASP 22 -55.141 -24.573 11.670 44 HB3 ASP 22 HB2 ASP 22 -54.474 -23.108 10.940 45 HD2 ASP 22 HD ASP 22 -51.321 -24.020 11.860 46 H PHE 23 H PHE 23 -53.610 -21.102 13.842 47 HA PHE 23 HA PHE 23 -54.720 -18.940 12.174 48 HB2 PHE 23 HB1 PHE 23 -54.092 -17.370 13.994 49 HB3 PHE 23 HB2 PHE 23 -55.315 -18.542 14.486 50 HD1 PHE 23 HD1 PHE 23 -51.941 -17.350 15.035 51 HD2 PHE 23 HD2 PHE 23 -54.734 -20.424 15.966 52 HE1 PHE 23 HE1 PHE 23 -50.549 -18.032 16.946 53 HE2 PHE 23 HE2 PHE 23 -53.347 -21.109 17.879 54 HZ PHE 23 HZ PHE 23 -51.251 -19.913 18.371 55 H ASN 24 H ASN 24 -53.127 -17.085 11.921 56 HA ASN 24 HA ASN 24 -50.336 -17.638 12.129 57 HB2 ASN 24 HB1 ASN 24 -49.904 -17.601 9.646 58 HB3 ASN 24 HB2 ASN 24 -50.671 -19.077 10.247 59 HD21 ASN 24 HD21 ASN 24 -50.917 -16.454 8.112 60 HD22 ASN 24 HD22 ASN 24 -52.486 -16.806 7.480 61 H ASN 25 H ASN 25 -49.087 -15.821 11.791 62 HA ASN 25 HA ASN 25 -49.961 -13.518 10.398 63 HB2 ASN 25 HB1 ASN 25 -51.343 -13.653 12.658 64 HB3 ASN 25 HB2 ASN 25 -49.863 -12.960 13.331 65 HD21 ASN 25 HD21 ASN 25 -51.630 -11.285 13.758 66 HD22 ASN 25 HD22 ASN 25 -51.769 -10.026 12.582 67 H ILE 26 H ILE 26 -48.265 -12.212 9.973 68 HA ILE 26 HA ILE 26 -45.849 -12.494 11.628 69 HB ILE 26 HB ILE 26 -45.792 -12.343 8.615 70 HG12 ILE 26 HG11 ILE 26 -44.771 -14.793 9.242 71 HG13 ILE 26 HG12 ILE 26 -46.060 -14.639 10.447 72 HG21 ILE 26 HG21 ILE 26 -43.857 -11.672 10.399 73 HG22 ILE 26 HG22 ILE 26 -43.488 -13.372 10.110 74 HG23 ILE 26 HG23 ILE 26 -43.553 -12.242 8.758 75 HD11 ILE 26 HD11 ILE 26 -46.788 -13.953 7.674 76 HD12 ILE 26 HD12 ILE 26 -46.466 -15.653 8.016 77 HD13 ILE 26 HD13 ILE 26 -47.710 -14.792 8.922 78 H ARG 27 H ARG 27 -47.163 -10.632 8.880 79 HA ARG 27 HA ARG 27 -47.082 -8.414 8.371 80 HB2 ARG 27 HB1 ARG 27 -47.798 -8.649 11.170 81 HB3 ARG 27 HB2 ARG 27 -46.940 -7.133 10.854 82 HG2 ARG 27 HG1 ARG 27 -48.548 -6.644 9.027 83 HG3 ARG 27 HG2 ARG 27 -49.443 -8.100 9.491 84 HD2 ARG 27 HD1 ARG 27 -50.608 -6.502 10.668 85 HD3 ARG 27 HD2 ARG 27 -49.408 -7.000 11.869 86 HE ARG 27 HE ARG 27 -48.433 -4.926 11.721 87 HH11 ARG 27 HH11 ARG 27 -50.663 -5.356 9.083 88 HH12 ARG 27 HH12 ARG 27 -50.581 -3.702 8.573 89 HH21 ARG 27 HH21 ARG 27 -48.315 -2.746 11.058 90 HH22 ARG 27 HH22 ARG 27 -49.245 -2.219 9.697 91 H SER 28 H SER 28 -45.041 -8.353 7.432 92 HA SER 28 HA SER 28 -42.911 -7.270 9.157 93 HB2 SER 28 HB1 SER 28 -42.529 -9.627 8.277 94 HB3 SER 28 HB2 SER 28 -42.436 -8.906 6.662 95 HG SER 28 HG SER 28 -40.393 -9.192 7.905 96 H SER 29 H SER 29 -41.196 -6.109 7.768 97 HA SER 29 HA SER 29 -42.547 -4.514 5.692 98 HB2 SER 29 HB1 SER 29 -42.399 -3.127 7.654 99 HB3 SER 29 HB2 SER 29 -40.697 -3.561 7.886 100 HG SER 29 HG SER 29 -41.849 -1.874 5.957 101 H ALA 30 H ALA 30 -39.270 -4.989 7.026 102 HA ALA 30 HA ALA 30 -37.259 -5.368 6.029 103 HB1 ALA 30 HB1 ALA 30 -39.166 -6.957 4.582 104 HB2 ALA 30 HB2 ALA 30 -37.881 -6.409 3.506 105 HB3 ALA 30 HB3 ALA 30 -37.482 -7.306 4.969 106 H ASP 31 H ASP 31 -36.111 -5.052 3.712 107 HA ASP 31 HA ASP 31 -35.301 -3.497 2.263 108 HB2 ASP 31 HB1 ASP 31 -38.202 -3.572 1.865 109 HB3 ASP 31 HB2 ASP 31 -37.473 -2.038 1.369 110 HD2 ASP 31 HD ASP 31 -36.967 -5.145 -0.916 111 H LEU 32 H LEU 32 -34.155 -2.242 3.726 112 HA LEU 32 HA LEU 32 -34.958 0.470 3.940 113 HB2 LEU 32 HB1 LEU 32 -36.164 -0.968 5.838 114 HB3 LEU 32 HB2 LEU 32 -34.609 -0.698 6.644 115 HG LEU 32 HG LEU 32 -36.221 0.955 7.361 116 HD11 LEU 32 HD11 LEU 32 -34.456 2.517 5.546 117 HD12 LEU 32 HD12 LEU 32 -33.716 1.481 6.766 118 HD13 LEU 32 HD13 LEU 32 -34.824 2.763 7.253 119 HD21 LEU 32 HD21 LEU 32 -37.306 2.471 5.889 120 HD22 LEU 32 HD22 LEU 32 -37.585 0.850 5.255 121 HD23 LEU 32 HD23 LEU 32 -36.377 1.895 4.506 122 H HIS 33 H HIS 33 -33.035 1.233 3.310 123 HA HIS 33 HA HIS 33 -30.832 1.227 5.082 124 HB2 HIS 33 HB1 HIS 33 -30.946 -1.065 3.529 125 HB3 HIS 33 HB2 HIS 33 -29.828 -0.024 2.640 126 HD1 HIS 33 HD1 HIS 33 -27.481 -0.372 3.293 127 HD2 HIS 33 HD2 HIS 33 -30.069 -1.043 6.472 128 HE1 HIS 33 HE1 HIS 33 -26.015 -1.046 5.221 129 HE2 HIS 33 HE2 HIS 33 -27.595 -1.457 7.165 130 H GLY 34 H GLY 34 -28.785 2.099 3.816 131 HA2 GLY 34 HA2 GLY 34 -28.661 3.387 1.489 132 HA3 GLY 34 HA3 GLY 34 -29.748 4.441 2.380 133 HA1 GLY 34 HA1 GLY 34 -28.210 2.995 2.138 134 H ALA 35 H ALA 35 -27.034 4.922 1.320 135 HA ALA 35 HA ALA 35 -26.005 6.356 3.547 136 HB1 ALA 35 HB1 ALA 35 -23.984 4.384 2.669 137 HB2 ALA 35 HB2 ALA 35 -24.234 5.129 4.248 138 HB3 ALA 35 HB3 ALA 35 -25.265 3.797 3.729 139 H ARG 36 H ARG 36 -24.054 7.584 3.000 140 HA ARG 36 HA ARG 36 -23.771 7.922 0.086 141 HB2 ARG 36 HB1 ARG 36 -24.405 9.812 2.178 142 HB3 ARG 36 HB2 ARG 36 -22.921 10.286 1.339 143 HG2 ARG 36 HG1 ARG 36 -24.139 11.156 -0.293 144 HG3 ARG 36 HG2 ARG 36 -24.753 9.534 -0.656 145 HD2 ARG 36 HD1 ARG 36 -26.768 10.428 -0.184 146 HD3 ARG 36 HD2 ARG 36 -26.271 10.180 1.495 147 HE ARG 36 HE ARG 36 -25.448 12.712 0.400 148 HH11 ARG 36 HH11 ARG 36 -27.989 10.968 2.020 149 HH12 ARG 36 HH12 ARG 36 -28.701 12.387 2.711 150 HH21 ARG 36 HH21 ARG 36 -26.377 14.589 1.303 151 HH22 ARG 36 HH22 ARG 36 -27.785 14.447 2.302 152 H LYS 37 H LYS 37 -21.672 8.823 -0.611 153 HA LYS 37 HA LYS 37 -19.511 7.497 0.824 154 HB2 LYS 37 HB1 LYS 37 -19.939 8.498 -1.948 155 HB3 LYS 37 HB2 LYS 37 -18.275 8.456 -1.342 156 HG2 LYS 37 HG1 LYS 37 -18.146 6.296 -1.807 157 HG3 LYS 37 HG2 LYS 37 -19.484 5.981 -0.688 158 HD2 LYS 37 HD1 LYS 37 -20.944 6.834 -2.726 159 HD3 LYS 37 HD2 LYS 37 -19.521 6.313 -3.647 160 HE2 LYS 37 HE1 LYS 37 -19.677 4.075 -2.743 161 HE3 LYS 37 HE2 LYS 37 -20.995 4.576 -1.672 162 HZ1 LYS 37 HZ1 LYS 37 -21.445 5.079 -4.489 163 HZ2 LYS 37 HZ2 LYS 37 -22.495 4.457 -3.318 164 HZ3 LYS 37 HZ3 LYS 37 -21.363 3.444 -4.060 165 H GLY 38 H GLY 38 -18.330 8.581 2.250 166 HA2 GLY 38 HA2 GLY 38 -18.463 11.406 2.539 167 HA3 GLY 38 HA3 GLY 38 -17.370 10.329 3.396 168 HA1 GLY 38 HA1 GLY 38 -18.366 11.143 1.703 169 H SER 39 H SER 39 -15.298 10.719 3.056 170 HA SER 39 HA SER 39 -14.387 12.522 1.075 171 HB2 SER 39 HB1 SER 39 -12.201 12.157 1.938 172 HB3 SER 39 HB2 SER 39 -13.297 12.017 3.323 173 HG SER 39 HG SER 39 -12.489 10.109 3.599 174 H GLN 40 H GLN 40 -12.136 11.547 -0.038 175 HA GLN 40 HA GLN 40 -13.177 9.880 -2.137 176 HB2 GLN 40 HB1 GLN 40 -11.145 11.792 -1.906 177 HB3 GLN 40 HB2 GLN 40 -10.310 10.265 -2.236 178 HG2 GLN 40 HG1 GLN 40 -10.670 11.111 -4.354 179 HG3 GLN 40 HG2 GLN 40 -12.021 9.987 -4.138 180 HE21 GLN 40 HE21 GLN 40 -14.094 10.766 -3.967 181 HE22 GLN 40 HE22 GLN 40 -14.511 12.409 -4.296 182 H CYS 41 H CYS 41 -10.389 9.580 0.071 183 HA CYS 41 HA CYS 41 -10.798 6.671 0.058 184 HB2 CYS 41 HB1 CYS 41 -8.432 6.251 -0.143 185 HB3 CYS 41 HB2 CYS 41 -8.949 7.257 -1.498 186 H LEU 42 H LEU 42 -10.453 5.649 1.984 187 HA LEU 42 HA LEU 42 -10.249 7.355 4.318 188 HB2 LEU 42 HB1 LEU 42 -11.407 4.810 3.683 189 HB3 LEU 42 HB2 LEU 42 -10.319 4.635 5.069 190 HG LEU 42 HG LEU 42 -12.231 6.887 5.192 191 HD11 LEU 42 HD11 LEU 42 -14.155 5.712 5.371 192 HD12 LEU 42 HD12 LEU 42 -13.348 4.268 5.983 193 HD13 LEU 42 HD13 LEU 42 -13.318 4.629 4.257 194 HD21 LEU 42 HD21 LEU 42 -11.959 4.907 7.354 195 HD22 LEU 42 HD22 LEU 42 -11.926 6.669 7.413 196 HD23 LEU 42 HD23 LEU 42 -10.486 5.776 6.923 197 H SER 43 H SER 43 -8.270 5.142 2.532 198 HA SER 43 HA SER 43 -5.915 5.924 3.896 199 HB2 SER 43 HB1 SER 43 -7.275 4.023 5.315 200 HB3 SER 43 HB2 SER 43 -6.212 3.020 4.312 201 HG SER 43 HG SER 43 -5.379 5.161 5.982 202 H ASP 44 H ASP 44 -4.033 4.381 3.231 203 HA ASP 44 HA ASP 44 -3.818 4.404 0.464 204 HB2 ASP 44 HB1 ASP 44 -1.732 3.398 0.720 205 HB3 ASP 44 HB2 ASP 44 -1.989 4.168 2.293 206 HD2 ASP 44 HD ASP 44 -2.002 1.155 3.939 207 H THR 45 H THR 45 -4.972 1.885 2.611 208 HA THR 45 HA THR 45 -4.991 -0.216 0.704 209 HB THR 45 HB THR 45 -7.070 -0.450 2.729 210 HG1 THR 45 HG1 THR 45 -5.292 -0.575 4.412 211 HG21 THR 45 HG21 THR 45 -5.287 -2.332 3.355 212 HG22 THR 45 HG22 THR 45 -4.721 -1.962 1.726 213 HG23 THR 45 HG23 THR 45 -6.383 -2.492 1.983 214 H ASP 46 H ASP 46 -7.102 2.445 1.326 215 HA ASP 46 HA ASP 46 -9.469 1.380 0.183 216 HB2 ASP 46 HB1 ASP 46 -9.040 3.538 1.653 217 HB3 ASP 46 HB2 ASP 46 -8.874 4.308 0.070 218 HD2 ASP 46 HD ASP 46 -12.450 3.569 1.364 219 H CYS 47 H CYS 47 -6.573 2.716 -1.150 220 HA CYS 47 HA CYS 47 -7.687 3.348 -3.720 221 HB2 CYS 47 HB1 CYS 47 -5.600 4.370 -2.617 222 HB3 CYS 47 HB2 CYS 47 -4.764 2.906 -3.137 223 H ASN 48 H ASN 48 -8.670 0.998 -3.526 224 HA ASN 48 HA ASN 48 -8.869 -1.003 -4.599 225 HB2 ASN 48 HB1 ASN 48 -6.996 0.480 -6.199 226 HB3 ASN 48 HB2 ASN 48 -6.518 -1.221 -6.159 227 HD21 ASN 48 HD21 ASN 48 -8.349 0.983 -7.757 228 HD22 ASN 48 HD22 ASN 48 -9.475 -0.078 -8.526 229 H THR 49 H THR 49 -5.325 -0.787 -4.517 230 HA THR 49 HA THR 49 -4.892 -2.240 -2.175 231 HB THR 49 HB THR 49 -5.923 -4.157 -3.121 232 HG1 THR 49 HG1 THR 49 -4.292 -5.382 -2.564 233 HG21 THR 49 HG21 THR 49 -6.151 -4.236 -5.343 234 HG22 THR 49 HG22 THR 49 -4.507 -4.871 -5.398 235 HG23 THR 49 HG23 THR 49 -4.791 -3.142 -5.592 236 H ARG 50 H ARG 50 -2.751 -2.278 -1.675 237 HA ARG 50 HA ARG 50 -0.562 -1.659 -1.794 238 HB2 ARG 50 HB1 ARG 50 -0.902 -3.000 -4.484 239 HB3 ARG 50 HB2 ARG 50 0.664 -2.519 -3.814 240 HG2 ARG 50 HG1 ARG 50 0.628 -4.138 -2.169 241 HG3 ARG 50 HG2 ARG 50 -1.136 -4.287 -2.224 242 HD2 ARG 50 HD1 ARG 50 -1.056 -5.451 -4.320 243 HD3 ARG 50 HD2 ARG 50 0.676 -5.122 -4.480 244 HE ARG 50 HE ARG 50 0.506 -6.515 -2.156 245 HH11 ARG 50 HH11 ARG 50 -0.606 -7.080 -5.406 246 HH12 ARG 50 HH12 ARG 50 -0.484 -8.805 -5.288 247 HH21 ARG 50 HH21 ARG 50 0.671 -8.784 -1.988 248 HH22 ARG 50 HH22 ARG 50 0.241 -9.772 -3.342 249 H LYS 51 H LYS 51 -2.064 0.500 -2.165 250 HA LYS 51 HA LYS 51 -0.500 2.052 -4.073 251 HB2 LYS 51 HB1 LYS 51 -3.490 1.737 -4.142 252 HB3 LYS 51 HB2 LYS 51 -2.725 3.224 -4.722 253 HG2 LYS 51 HG1 LYS 51 -1.429 1.955 -6.352 254 HG3 LYS 51 HG2 LYS 51 -2.163 0.453 -5.761 255 HD2 LYS 51 HD1 LYS 51 -4.420 1.506 -6.322 256 HD3 LYS 51 HD2 LYS 51 -3.493 2.728 -7.210 257 HE2 LYS 51 HE1 LYS 51 -3.227 1.362 -8.955 258 HE3 LYS 51 HE2 LYS 51 -2.571 0.096 -7.905 259 HZ1 LYS 51 HZ1 LYS 51 -4.671 -0.443 -9.185 260 HZ2 LYS 51 HZ2 LYS 51 -5.480 0.585 -8.112 261 HZ3 LYS 51 HZ3 LYS 51 -4.686 -0.789 -7.529 262 H PHE 52 H PHE 52 -0.292 4.225 -3.538 263 HA PHE 52 HA PHE 52 -1.170 4.889 -0.817 264 HB2 PHE 52 HB1 PHE 52 0.635 6.505 -0.761 265 HB3 PHE 52 HB2 PHE 52 1.265 4.935 -1.262 266 HD1 PHE 52 HD1 PHE 52 2.059 4.546 -3.510 267 HD2 PHE 52 HD2 PHE 52 0.540 8.347 -2.343 268 HE1 PHE 52 HE1 PHE 52 3.037 5.553 -5.531 269 HE2 PHE 52 HE2 PHE 52 1.515 9.360 -4.362 270 HZ PHE 52 HZ PHE 52 2.765 7.962 -5.960 271 H CYS 53 H CYS 53 -2.490 6.569 -0.410 272 HA CYS 53 HA CYS 53 -3.735 7.888 -2.668 273 HB2 CYS 53 HB1 CYS 53 -4.725 6.993 -0.314 274 HB3 CYS 53 HB2 CYS 53 -4.457 8.689 0.091 275 H LEU 54 H LEU 54 -2.427 9.425 -3.518 276 HA LEU 54 HA LEU 54 -0.875 11.204 -1.884 277 HB2 LEU 54 HB1 LEU 54 -0.087 10.514 -4.082 278 HB3 LEU 54 HB2 LEU 54 -1.509 11.261 -4.831 279 HG LEU 54 HG LEU 54 -0.451 13.397 -3.548 280 HD11 LEU 54 HD11 LEU 54 1.997 13.330 -4.076 281 HD12 LEU 54 HD12 LEU 54 1.835 11.588 -4.297 282 HD13 LEU 54 HD13 LEU 54 1.497 12.312 -2.726 283 HD21 LEU 54 HD21 LEU 54 0.830 13.530 -5.943 284 HD22 LEU 54 HD22 LEU 54 -0.873 13.913 -5.691 285 HD23 LEU 54 HD23 LEU 54 -0.406 12.315 -6.273 286 H GLN 55 H GLN 55 -1.269 13.309 -1.362 287 HA GLN 55 HA GLN 55 -3.782 14.509 -2.292 288 HB2 GLN 55 HB1 GLN 55 -2.844 14.566 0.585 289 HB3 GLN 55 HB2 GLN 55 -4.345 15.248 -0.059 290 HG2 GLN 55 HG1 GLN 55 -5.392 13.347 0.354 291 HG3 GLN 55 HG2 GLN 55 -4.308 12.520 -0.773 292 HE21 GLN 55 HE21 GLN 55 -5.409 12.557 2.324 293 HE22 GLN 55 HE22 GLN 55 -4.132 11.688 3.095 294 HA PRO 56 HA PRO 56 -0.366 17.507 -2.863 295 HB2 PRO 56 HB1 PRO 56 -1.450 18.632 -5.114 296 HB3 PRO 56 HB2 PRO 56 -0.474 17.163 -5.132 297 HG2 PRO 56 HG1 PRO 56 -3.458 17.466 -5.132 298 HG3 PRO 56 HG2 PRO 56 -2.422 16.387 -6.137 299 HD2 PRO 56 HD1 PRO 56 -3.787 15.500 -3.964 300 HD3 PRO 56 HD2 PRO 56 -2.210 14.844 -4.438 301 H ARG 57 H ARG 57 -0.319 19.749 -2.541 302 HA ARG 57 HA ARG 57 -2.616 20.804 -1.141 303 HB2 ARG 57 HB1 ARG 57 0.129 21.139 -0.923 304 HB3 ARG 57 HB2 ARG 57 -0.429 22.674 -1.603 305 HG2 ARG 57 HG1 ARG 57 -2.256 22.360 0.350 306 HG3 ARG 57 HG2 ARG 57 -0.870 21.520 1.068 307 HD2 ARG 57 HD1 ARG 57 -0.324 23.602 1.779 308 HD3 ARG 57 HD2 ARG 57 0.370 23.719 0.157 309 HE ARG 57 HE ARG 57 -2.175 24.555 -0.212 310 HH11 ARG 57 HH11 ARG 57 0.338 25.453 2.025 311 HH12 ARG 57 HH12 ARG 57 -0.199 27.094 2.172 312 HH21 ARG 57 HH21 ARG 57 -2.891 26.713 -0.027 313 HH22 ARG 57 HH22 ARG 57 -2.036 27.808 1.004 314 H ASP 58 H ASP 58 -0.736 21.645 -4.032 315 HA ASP 58 HA ASP 58 -2.389 23.866 -4.726 316 HB2 ASP 58 HB1 ASP 58 0.085 22.858 -5.553 317 HB3 ASP 58 HB2 ASP 58 -0.959 22.706 -6.971 318 HD2 ASP 58 HD ASP 58 -0.582 26.421 -5.616 319 H GLU 59 H GLU 59 -2.558 20.463 -5.238 320 HA GLU 59 HA GLU 59 -4.823 20.860 -7.081 321 HB2 GLU 59 HB1 GLU 59 -2.487 19.176 -7.298 322 HB3 GLU 59 HB2 GLU 59 -3.961 18.196 -7.307 323 HG2 GLU 59 HG1 GLU 59 -4.013 18.610 -9.496 324 HG3 GLU 59 HG2 GLU 59 -4.623 20.203 -9.024 325 HE2 GLU 59 HE GLU 59 -0.794 19.999 -10.088 326 H LYS 60 H LYS 60 -6.126 18.593 -7.057 327 HA LYS 60 HA LYS 60 -7.052 18.356 -4.298 328 HB2 LYS 60 HB1 LYS 60 -8.233 17.944 -6.986 329 HB3 LYS 60 HB2 LYS 60 -8.805 16.860 -5.708 330 HG2 LYS 60 HG1 LYS 60 -9.323 18.877 -4.321 331 HG3 LYS 60 HG2 LYS 60 -8.939 19.865 -5.740 332 HD2 LYS 60 HD1 LYS 60 -10.664 18.129 -6.865 333 HD3 LYS 60 HD2 LYS 60 -11.282 18.143 -5.204 334 HE2 LYS 60 HE1 LYS 60 -10.657 20.816 -6.232 335 HE3 LYS 60 HE2 LYS 60 -11.902 19.968 -7.161 336 HZ1 LYS 60 HZ1 LYS 60 -12.545 19.529 -4.524 337 HZ2 LYS 60 HZ2 LYS 60 -13.320 20.588 -5.591 338 HZ3 LYS 60 HZ3 LYS 60 -12.085 21.156 -4.585 339 HA PRO 61 HA PRO 61 -5.507 14.315 -3.569 340 HB2 PRO 61 HB1 PRO 61 -7.573 13.121 -2.227 341 HB3 PRO 61 HB2 PRO 61 -6.558 14.381 -1.528 342 HG2 PRO 61 HG1 PRO 61 -9.256 14.611 -2.820 343 HG3 PRO 61 HG2 PRO 61 -8.657 15.354 -1.290 344 HD2 PRO 61 HD1 PRO 61 -8.834 16.738 -3.619 345 HD3 PRO 61 HD2 PRO 61 -7.564 17.039 -2.421 346 H PHE 62 H PHE 62 -5.522 12.190 -4.308 347 HA PHE 62 HA PHE 62 -7.725 11.001 -5.644 348 HB2 PHE 62 HB1 PHE 62 -6.632 10.922 -7.925 349 HB3 PHE 62 HB2 PHE 62 -7.295 12.487 -7.451 350 HD1 PHE 62 HD1 PHE 62 -6.018 14.374 -7.739 351 HD2 PHE 62 HD2 PHE 62 -4.077 10.611 -7.302 352 HE1 PHE 62 HE1 PHE 62 -3.845 15.450 -8.153 353 HE2 PHE 62 HE2 PHE 62 -1.900 11.682 -7.713 354 HZ PHE 62 HZ PHE 62 -1.782 14.104 -8.138 355 H CYS 63 H CYS 63 -6.936 8.996 -6.926 356 HA CYS 63 HA CYS 63 -5.242 7.505 -5.155 357 HB2 CYS 63 HB1 CYS 63 -7.134 6.946 -7.290 358 HB3 CYS 63 HB2 CYS 63 -5.684 5.951 -7.436 359 H ALA 64 H ALA 64 -3.243 6.589 -5.584 360 HA ALA 64 HA ALA 64 -1.876 7.485 -8.030 361 HB1 ALA 64 HB1 ALA 64 0.056 8.161 -6.847 362 HB2 ALA 64 HB2 ALA 64 -1.313 8.905 -6.019 363 HB3 ALA 64 HB3 ALA 64 -0.541 7.474 -5.335 364 H THR 65 H THR 65 -0.508 6.031 -8.954 365 HA THR 65 HA THR 65 -0.696 3.300 -8.046 366 HB THR 65 HB THR 65 1.126 4.045 -10.280 367 HG1 THR 65 HG1 THR 65 -1.695 4.365 -10.290 368 HG21 THR 65 HG21 THR 65 -0.388 2.081 -11.230 369 HG22 THR 65 HG22 THR 65 -0.662 1.797 -9.511 370 HG23 THR 65 HG23 THR 65 0.978 1.767 -10.160 371 H CYS 66 H CYS 66 1.193 1.904 -7.814 372 HA CYS 66 HA CYS 66 2.974 2.754 -5.883 373 HB2 CYS 66 HB1 CYS 66 2.449 0.379 -6.508 374 HB3 CYS 66 HB2 CYS 66 3.519 0.568 -7.899 375 H ARG 67 H ARG 67 5.017 3.585 -5.853 376 HA ARG 67 HA ARG 67 5.960 4.738 -8.372 377 HB2 ARG 67 HB1 ARG 67 6.363 5.394 -5.476 378 HB3 ARG 67 HB2 ARG 67 7.554 5.938 -6.667 379 HG2 ARG 67 HG1 ARG 67 5.354 6.792 -7.905 380 HG3 ARG 67 HG2 ARG 67 4.767 6.828 -6.235 381 HD2 ARG 67 HD1 ARG 67 5.948 8.664 -5.760 382 HD3 ARG 67 HD2 ARG 67 7.422 7.945 -6.424 383 HE ARG 67 HE ARG 67 7.064 9.073 -8.392 384 HH11 ARG 67 HH11 ARG 67 4.199 9.223 -6.420 385 HH12 ARG 67 HH12 ARG 67 3.410 10.393 -7.427 386 HH21 ARG 67 HH21 ARG 67 6.036 10.612 -9.725 387 HH22 ARG 67 HH22 ARG 67 4.455 11.181 -9.307 388 H GLY 68 H GLY 68 7.761 4.064 -9.363 389 HA2 GLY 68 HA2 GLY 68 9.148 1.760 -8.318 390 HA3 GLY 68 HA3 GLY 68 9.438 2.542 -9.865 391 HA1 GLY 68 HA1 GLY 68 9.083 2.449 -7.770 392 H LEU 69 H LEU 69 11.679 1.874 -8.914 393 HA LEU 69 HA LEU 69 12.808 3.530 -6.899 394 HB2 LEU 69 HB1 LEU 69 14.046 1.800 -9.042 395 HB3 LEU 69 HB2 LEU 69 14.986 2.665 -7.814 396 HG LEU 69 HG LEU 69 12.980 0.469 -7.305 397 HD11 LEU 69 HD11 LEU 69 15.984 0.574 -7.227 398 HD12 LEU 69 HD12 LEU 69 14.956 -0.480 -8.197 399 HD13 LEU 69 HD13 LEU 69 15.041 -0.697 -6.449 400 HD21 LEU 69 HD21 LEU 69 14.020 2.532 -5.589 401 HD22 LEU 69 HD22 LEU 69 14.534 0.940 -5.032 402 HD23 LEU 69 HD23 LEU 69 12.818 1.289 -5.247 403 H ARG 70 H ARG 70 12.331 3.869 -10.313 404 HA ARG 70 HA ARG 70 14.183 6.111 -10.499 405 HB2 ARG 70 HB1 ARG 70 12.348 4.976 -12.621 406 HB3 ARG 70 HB2 ARG 70 13.694 6.097 -12.870 407 HG2 ARG 70 HG1 ARG 70 15.112 4.179 -11.779 408 HG3 ARG 70 HG2 ARG 70 13.747 3.176 -12.299 409 HD2 ARG 70 HD1 ARG 70 14.217 4.699 -14.534 410 HD3 ARG 70 HD2 ARG 70 15.845 4.464 -13.883 411 HE ARG 70 HE ARG 70 14.499 1.995 -13.902 412 HH11 ARG 70 HH11 ARG 70 15.878 4.327 -16.089 413 HH12 ARG 70 HH12 ARG 70 16.241 3.157 -17.314 414 HH21 ARG 70 HH21 ARG 70 14.973 0.445 -15.507 415 HH22 ARG 70 HH22 ARG 70 15.725 0.950 -16.983 416 H ARG 71 H ARG 71 11.401 5.923 -9.078 417 HA ARG 71 HA ARG 71 10.164 8.265 -10.346 418 HB2 ARG 71 HB1 ARG 71 9.153 6.030 -8.650 419 HB3 ARG 71 HB2 ARG 71 8.339 7.597 -8.528 420 HG2 ARG 71 HG1 ARG 71 8.814 6.298 -11.194 421 HG3 ARG 71 HG2 ARG 71 7.417 5.880 -10.188 422 HD2 ARG 71 HD1 ARG 71 6.757 8.263 -10.134 423 HD3 ARG 71 HD2 ARG 71 8.122 8.633 -11.196 424 HE ARG 71 HE ARG 71 6.898 7.872 -12.970 425 HH11 ARG 71 HH11 ARG 71 5.468 6.694 -10.022 426 HH12 ARG 71 HH12 ARG 71 4.077 6.029 -10.810 427 HH21 ARG 71 HH21 ARG 71 5.071 6.998 -14.019 428 HH22 ARG 71 HH22 ARG 71 3.852 6.201 -13.083 429 H ARG 72 H ARG 72 9.953 10.181 -9.298 430 HA ARG 72 HA ARG 72 11.631 10.644 -7.022 431 HB2 ARG 72 HB1 ARG 72 9.642 12.567 -8.238 432 HB3 ARG 72 HB2 ARG 72 11.087 12.956 -7.292 433 HG2 ARG 72 HG1 ARG 72 12.213 11.577 -9.324 434 HG3 ARG 72 HG2 ARG 72 10.819 12.299 -10.145 435 HD2 ARG 72 HD1 ARG 72 12.035 14.276 -8.461 436 HD3 ARG 72 HD2 ARG 72 13.274 13.523 -9.475 437 HE ARG 72 HE ARG 72 11.228 15.309 -10.329 438 HH11 ARG 72 HH11 ARG 72 13.139 12.576 -11.325 439 HH12 ARG 72 HH12 ARG 72 13.030 12.948 -13.014 440 HH21 ARG 72 HH21 ARG 72 11.076 15.810 -12.549 441 HH22 ARG 72 HH22 ARG 72 11.856 14.788 -13.709 442 H CYS 73 H CYS 73 10.969 11.516 -4.994 443 HA CYS 73 HA CYS 73 8.156 11.316 -4.280 444 HB2 CYS 73 HB1 CYS 73 8.653 9.865 -2.320 445 HB3 CYS 73 HB2 CYS 73 8.882 9.053 -3.870 446 H GLN 74 H GLN 74 7.682 12.240 -2.182 447 HA GLN 74 HA GLN 74 9.719 14.205 -1.371 448 HB2 GLN 74 HB1 GLN 74 7.026 14.540 -2.140 449 HB3 GLN 74 HB2 GLN 74 7.084 14.831 -0.393 450 HG2 GLN 74 HG1 GLN 74 8.537 16.633 -0.597 451 HG3 GLN 74 HG2 GLN 74 9.050 16.148 -2.220 452 HE21 GLN 74 HE21 GLN 74 8.292 18.721 -1.711 453 HE22 GLN 74 HE22 GLN 74 6.796 19.059 -2.507 454 H ARG 75 H ARG 75 7.329 11.894 -0.207 455 HA ARG 75 HA ARG 75 8.496 12.134 2.489 456 HB2 ARG 75 HB1 ARG 75 5.717 11.738 1.524 457 HB3 ARG 75 HB2 ARG 75 6.192 10.829 2.966 458 HG2 ARG 75 HG1 ARG 75 6.334 12.675 4.274 459 HG3 ARG 75 HG2 ARG 75 6.861 13.707 2.933 460 HD2 ARG 75 HD1 ARG 75 4.100 12.643 2.753 461 HD3 ARG 75 HD2 ARG 75 4.407 13.828 4.028 462 HE ARG 75 HE ARG 75 5.509 14.923 1.770 463 HH11 ARG 75 HH11 ARG 75 2.358 13.779 2.708 464 HH12 ARG 75 HH12 ARG 75 1.507 14.883 1.680 465 HH21 ARG 75 HH21 ARG 75 4.401 16.381 0.411 466 HH22 ARG 75 HH22 ARG 75 2.670 16.362 0.373 467 H ASP 76 H ASP 76 8.823 10.201 3.693 468 HA ASP 76 HA ASP 76 9.900 8.071 2.178 469 HB2 ASP 76 HB1 ASP 76 9.231 8.263 5.126 470 HB3 ASP 76 HB2 ASP 76 10.152 6.942 4.393 471 HD2 ASP 76 HD ASP 76 12.706 9.447 3.610 472 H ALA 77 H ALA 77 6.827 8.541 3.814 473 HA ALA 77 HA ALA 77 5.968 5.820 3.409 474 HB1 ALA 77 HB1 ALA 77 5.210 7.145 5.342 475 HB2 ALA 77 HB2 ALA 77 4.352 8.226 4.244 476 HB3 ALA 77 HB3 ALA 77 3.867 6.536 4.374 477 H MET 78 H MET 78 5.783 8.824 1.687 478 HA MET 78 HA MET 78 3.553 8.431 0.083 479 HB2 MET 78 HB1 MET 78 5.997 10.050 -0.020 480 HB3 MET 78 HB2 MET 78 5.335 9.662 -1.614 481 HG2 MET 78 HG1 MET 78 3.130 10.543 -0.869 482 HG3 MET 78 HG2 MET 78 3.900 11.042 0.639 483 HE1 MET 78 HE1 MET 78 5.455 11.558 -3.227 484 HE2 MET 78 HE2 MET 78 3.729 11.235 -3.067 485 HE3 MET 78 HE3 MET 78 4.287 12.850 -3.504 486 H CYS 79 H CYS 79 6.696 6.945 -0.049 487 HA CYS 79 HA CYS 79 6.188 5.780 -2.671 488 HB2 CYS 79 HB1 CYS 79 8.513 6.366 -1.086 489 HB3 CYS 79 HB2 CYS 79 8.508 4.650 -1.498 490 H CYS 80 H CYS 80 6.274 3.482 -3.026 491 HA CYS 80 HA CYS 80 4.571 2.009 -1.398 492 HB2 CYS 80 HB1 CYS 80 6.474 1.343 -3.601 493 HB3 CYS 80 HB2 CYS 80 5.810 0.013 -2.649 494 HA PRO 81 HA PRO 81 6.952 0.367 1.901 495 HB2 PRO 81 HB1 PRO 81 5.999 -2.192 2.105 496 HB3 PRO 81 HB2 PRO 81 5.069 -0.768 2.570 497 HG2 PRO 81 HG1 PRO 81 4.995 -2.336 0.013 498 HG3 PRO 81 HG2 PRO 81 3.627 -1.720 1.015 499 HD2 PRO 81 HD1 PRO 81 4.453 -0.483 -1.257 500 HD3 PRO 81 HD2 PRO 81 3.812 0.403 0.136 501 H GLY 82 H GLY 82 8.806 -0.785 2.370 502 HA2 GLY 82 HA2 GLY 82 10.365 -2.560 1.991 503 HA3 GLY 82 HA3 GLY 82 9.799 -2.656 0.330 504 HA1 GLY 82 HA1 GLY 82 10.342 -1.693 2.146 505 H THR 83 H THR 83 9.903 0.405 0.311 506 HA THR 83 HA THR 83 12.817 0.626 -0.082 507 HB THR 83 HB THR 83 12.071 2.476 -1.780 508 HG1 THR 83 HG1 THR 83 9.745 1.816 -1.063 509 HG21 THR 83 HG21 THR 83 11.489 0.122 -3.237 510 HG22 THR 83 HG22 THR 83 12.669 -0.310 -2.000 511 HG23 THR 83 HG23 THR 83 13.020 0.989 -3.140 512 H LEU 84 H LEU 84 13.511 3.010 -0.163 513 HA LEU 84 HA LEU 84 12.024 4.583 1.826 514 HB2 LEU 84 HB1 LEU 84 14.261 3.283 2.505 515 HB3 LEU 84 HB2 LEU 84 14.983 4.754 1.827 516 HG LEU 84 HG LEU 84 13.574 6.074 3.436 517 HD11 LEU 84 HD11 LEU 84 12.522 5.002 5.268 518 HD12 LEU 84 HD12 LEU 84 13.177 3.429 4.813 519 HD13 LEU 84 HD13 LEU 84 11.944 4.194 3.811 520 HD21 LEU 84 HD21 LEU 84 15.351 6.112 4.783 521 HD22 LEU 84 HD22 LEU 84 16.015 4.833 3.767 522 HD23 LEU 84 HD23 LEU 84 15.141 4.423 5.243 523 H CYS 85 H CYS 85 12.000 6.781 1.523 524 HA CYS 85 HA CYS 85 12.636 7.706 -1.121 525 HB2 CYS 85 HB1 CYS 85 10.606 8.374 0.265 526 HB3 CYS 85 HB2 CYS 85 11.703 9.391 1.202 527 H VAL 86 H VAL 86 14.768 7.939 -1.518 528 HA VAL 86 HA VAL 86 16.318 9.618 0.345 529 HB VAL 86 HB VAL 86 17.389 7.514 -1.540 530 HG11 VAL 86 HG11 VAL 86 18.659 9.526 0.248 531 HG12 VAL 86 HG12 VAL 86 19.428 7.947 0.072 532 HG13 VAL 86 HG13 VAL 86 19.154 8.959 -1.347 533 HG21 VAL 86 HG21 VAL 86 16.726 6.084 0.047 534 HG22 VAL 86 HG22 VAL 86 18.040 6.752 1.017 535 HG23 VAL 86 HG23 VAL 86 16.401 7.378 1.202 536 H ASN 87 H ASN 87 17.331 11.390 -0.435 537 HA ASN 87 HA ASN 87 17.775 13.129 -1.834 538 HB2 ASN 87 HB1 ASN 87 19.089 10.957 -2.807 539 HB3 ASN 87 HB2 ASN 87 18.119 11.410 -4.213 540 HD21 ASN 87 HD21 ASN 87 21.062 11.702 -3.113 541 HD22 ASN 87 HD22 ASN 87 21.485 13.287 -3.658 542 H ASP 88 H ASP 88 15.043 12.442 -1.563 543 HA ASP 88 HA ASP 88 13.011 12.963 -2.444 544 HB2 ASP 88 HB1 ASP 88 14.485 14.349 -4.688 545 HB3 ASP 88 HB2 ASP 88 12.878 14.718 -4.048 546 HD2 ASP 88 HD ASP 88 14.440 16.126 -1.120 547 H VAL 89 H VAL 89 14.507 10.557 -3.311 548 HA VAL 89 HA VAL 89 12.792 9.891 -5.574 549 HB VAL 89 HB VAL 89 15.773 9.409 -5.644 550 HG11 VAL 89 HG11 VAL 89 13.650 8.757 -7.685 551 HG12 VAL 89 HG12 VAL 89 15.384 8.469 -7.849 552 HG13 VAL 89 HG13 VAL 89 14.453 7.589 -6.635 553 HG21 VAL 89 HG21 VAL 89 14.046 11.235 -7.311 554 HG22 VAL 89 HG22 VAL 89 15.225 11.738 -6.099 555 HG23 VAL 89 HG23 VAL 89 15.763 10.928 -7.571 556 H CYS 90 H CYS 90 12.158 7.774 -5.622 557 HA CYS 90 HA CYS 90 12.303 6.276 -3.252 558 HB2 CYS 90 HB1 CYS 90 10.796 6.196 -5.565 559 HB3 CYS 90 HB2 CYS 90 11.732 4.702 -5.655 560 H THR 91 H THR 91 14.123 5.428 -2.480 561 HA THR 91 HA THR 91 15.867 3.950 -4.342 562 HB THR 91 HB THR 91 16.756 5.372 -1.826 563 HG1 THR 91 HG1 THR 91 17.423 6.129 -4.471 564 HG21 THR 91 HG21 THR 91 18.263 3.932 -4.008 565 HG22 THR 91 HG22 THR 91 18.177 3.498 -2.301 566 HG23 THR 91 HG23 THR 91 19.025 4.962 -2.797 567 H THR 92 H THR 92 16.246 1.872 -3.882 568 HA THR 92 HA THR 92 14.802 0.490 -1.932 569 HB THR 92 HB THR 92 16.980 -1.148 -2.450 570 HG1 THR 92 HG1 THR 92 17.388 -0.839 -4.669 571 HG21 THR 92 HG21 THR 92 15.487 -2.317 -3.934 572 HG22 THR 92 HG22 THR 92 14.499 -0.872 -4.148 573 HG23 THR 92 HG23 THR 92 14.550 -1.682 -2.583 574 H MET 93 H MET 93 15.177 -0.058 0.138 575 HA MET 93 HA MET 93 16.998 1.329 1.713 576 HB2 MET 93 HB1 MET 93 14.890 -0.379 2.172 577 HB3 MET 93 HB2 MET 93 16.274 -1.304 2.778 578 HG2 MET 93 HG1 MET 93 16.598 1.317 3.754 579 HG3 MET 93 HG2 MET 93 14.899 0.895 3.982 580 HE1 MET 93 HE1 MET 93 16.286 0.792 7.284 581 HE2 MET 93 HE2 MET 93 17.930 0.566 6.687 582 HE3 MET 93 HE3 MET 93 16.863 1.736 5.910 583 H GLU 94 H GLU 94 17.369 -1.643 -0.061 584 HA GLU 94 HA GLU 94 19.612 -2.697 1.254 585 HB2 GLU 94 HB1 GLU 94 18.798 -2.908 -1.655 586 HB3 GLU 94 HB2 GLU 94 20.033 -3.908 -0.874 587 HG2 GLU 94 HG1 GLU 94 18.366 -5.361 -0.558 588 HG3 GLU 94 HG2 GLU 94 17.931 -4.299 0.789 589 HE2 GLU 94 HE GLU 94 15.789 -3.612 -2.479 590 H ASP 95 H ASP 95 19.330 -0.359 -1.379 591 HA ASP 95 HA ASP 95 22.201 -0.109 -1.639 592 HB2 ASP 95 HB1 ASP 95 19.809 0.957 -3.052 593 HB3 ASP 95 HB2 ASP 95 21.277 1.941 -3.109 594 HD2 ASP 95 HD ASP 95 22.145 -0.021 -5.794 595 H ALA 96 H ALA 96 19.529 1.693 -0.232 596 HA ALA 96 HA ALA 96 20.961 4.056 0.361 597 HB1 ALA 96 HB1 ALA 96 18.372 3.445 0.431 598 HB2 ALA 96 HB2 ALA 96 18.741 3.236 2.143 599 HB3 ALA 96 HB3 ALA 96 19.054 4.783 1.356 600 H THR 97 H THR 97 22.340 4.546 1.951 601 HA THR 97 HA THR 97 23.774 4.278 3.701 602 HB THR 97 HB THR 97 21.655 2.700 5.129 603 HG1 THR 97 HG1 THR 97 21.656 5.531 4.781 604 HG21 THR 97 HG21 THR 97 23.965 4.409 5.837 605 HG22 THR 97 HG22 THR 97 23.321 2.981 6.647 606 HG23 THR 97 HG23 THR 97 22.540 4.548 6.866 607 H GLU 98 H GLU 98 24.875 2.738 2.156 608 HA GLU 98 HA GLU 98 24.623 -0.076 2.695 609 HB2 GLU 98 HB1 GLU 98 25.692 1.495 0.634 610 HB3 GLU 98 HB2 GLU 98 27.077 0.655 1.348 611 HG2 GLU 98 HG1 GLU 98 25.539 -1.453 1.159 612 HG3 GLU 98 HG2 GLU 98 24.699 -0.471 -0.048 613 HE2 GLU 98 HE GLU 98 27.013 -1.527 -2.334 614 H ASN 99 H ASN 99 26.238 -1.426 3.603 615 HA ASN 99 HA ASN 99 28.174 -0.039 5.334 616 HB2 ASN 99 HB1 ASN 99 25.948 -1.248 6.305 617 HB3 ASN 99 HB2 ASN 99 27.080 -2.605 6.319 618 HD21 ASN 99 HD21 ASN 99 26.600 0.689 7.444 619 HD22 ASN 99 HD22 ASN 99 27.634 0.564 8.824 620 H LEU 100 H LEU 100 29.901 -1.569 6.145 621 HA LEU 100 HA LEU 100 31.036 -2.928 3.879 622 HB2 LEU 100 HB1 LEU 100 31.978 -1.746 6.288 623 HB3 LEU 100 HB2 LEU 100 32.506 -3.439 6.263 624 HG LEU 100 HG LEU 100 33.200 -2.656 3.760 625 HD11 LEU 100 HD11 LEU 100 32.601 -0.365 4.014 626 HD12 LEU 100 HD12 LEU 100 34.361 -0.461 4.061 627 HD13 LEU 100 HD13 LEU 100 33.450 -0.252 5.556 628 HD21 LEU 100 HD21 LEU 100 35.445 -2.039 5.193 629 HD22 LEU 100 HD22 LEU 100 34.945 -3.667 4.730 630 HD23 LEU 100 HD23 LEU 100 34.540 -3.042 6.329 631 H TYR 101 H TYR 101 31.922 -5.129 4.031 632 HA TYR 101 HA TYR 101 30.127 -6.884 5.574 633 HB2 TYR 101 HB1 TYR 101 30.900 -6.852 2.777 634 HB3 TYR 101 HB2 TYR 101 31.290 -8.403 3.526 635 HD1 TYR 101 HD1 TYR 101 29.276 -9.205 5.219 636 HD2 TYR 101 HD2 TYR 101 28.844 -6.821 1.722 637 HE1 TYR 101 HE1 TYR 101 26.931 -9.922 5.028 638 HE2 TYR 101 HE2 TYR 101 26.497 -7.530 1.521 639 HH TYR 101 HH TYR 101 24.779 -8.906 3.942 640 H PHE 102 H PHE 102 31.260 -9.231 5.582 641 HA PHE 102 HA PHE 102 33.764 -8.802 7.030 642 HB2 PHE 102 HB1 PHE 102 31.495 -10.478 7.421 643 HB3 PHE 102 HB2 PHE 102 32.890 -11.524 7.143 644 HD1 PHE 102 HD1 PHE 102 32.485 -8.274 8.931 645 HD2 PHE 102 HD2 PHE 102 33.682 -12.354 9.129 646 HE1 PHE 102 HE1 PHE 102 33.220 -7.941 11.255 647 HE2 PHE 102 HE2 PHE 102 34.419 -12.028 11.453 648 HZ PHE 102 HZ PHE 102 34.188 -9.820 12.520 649 H GLN 103 H GLN 103 33.511 -8.855 4.059 650 HA GLN 103 HA GLN 103 34.659 -9.638 2.259 651 HB2 GLN 103 HB1 GLN 103 36.511 -9.260 4.066 652 HB3 GLN 103 HB2 GLN 103 36.581 -11.029 4.089 653 HG2 GLN 103 HG1 GLN 103 37.073 -11.068 1.702 654 HG3 GLN 103 HG2 GLN 103 36.976 -9.302 1.656 655 HE21 GLN 103 HE21 GLN 103 38.847 -12.041 2.667 656 HE22 GLN 103 HE22 GLN 103 40.298 -11.176 3.028 657 H SER 104 H SER 104 32.537 -11.257 3.374 658 HA SER 104 HA SER 104 31.598 -13.322 3.178 659 HB2 SER 104 HB1 SER 104 33.668 -14.003 1.102 660 HB3 SER 104 HB2 SER 104 31.948 -14.428 1.147 661 HG SER 104 HG SER 104 31.537 -12.131 0.858 662 H LEU 105 H LEU 105 32.460 -13.820 5.318 663 HA LEU 105 HA LEU 105 34.890 -15.262 5.632 664 HB2 LEU 105 HB1 LEU 105 33.555 -13.939 7.383 665 HB3 LEU 105 HB2 LEU 105 32.557 -15.399 7.514 666 HG LEU 105 HG LEU 105 35.042 -16.441 7.858 667 HD11 LEU 105 HD11 LEU 105 35.144 -13.908 9.444 668 HD12 LEU 105 HD12 LEU 105 35.839 -13.986 7.825 669 HD13 LEU 105 HD13 LEU 105 36.433 -15.060 9.092 670 HD21 LEU 105 HD21 LEU 105 32.953 -16.732 9.216 671 HD22 LEU 105 HD22 LEU 105 33.395 -15.264 10.088 672 HD23 LEU 105 HD23 LEU 105 34.449 -16.678 10.149 673 H GLU 106 H GLU 106 35.293 -17.420 5.683 674 HA GLU 106 HA GLU 106 33.262 -19.405 5.842 675 HB2 GLU 106 HB1 GLU 106 32.950 -18.570 3.500 676 HB3 GLU 106 HB2 GLU 106 34.596 -19.116 3.148 677 HG2 GLU 106 HG1 GLU 106 34.011 -21.279 3.019 678 HG3 GLU 106 HG2 GLU 106 32.856 -21.147 4.351 679 HE2 GLU 106 HE GLU 106 30.261 -21.057 2.135 680 H HIS 107 H HIS 107 34.107 -21.536 5.932 681 HA HIS 107 HA HIS 107 36.815 -22.177 5.462 682 HB2 HIS 107 HB1 HIS 107 37.163 -20.689 7.402 683 HB3 HIS 107 HB2 HIS 107 36.097 -21.717 8.366 684 HD1 HIS 107 HD1 HIS 107 39.514 -21.687 6.814 685 HD2 HIS 107 HD2 HIS 107 37.221 -24.068 9.333 686 HE1 HIS 107 HE1 HIS 107 41.103 -23.391 7.761 687 HE2 HIS 107 HE2 HIS 107 39.702 -24.846 9.301 688 H HIS 108 H HIS 108 36.703 -24.259 4.979 689 HA HIS 108 HA HIS 108 35.355 -26.113 6.752 690 HB2 HIS 108 HB1 HIS 108 34.270 -25.296 4.134 691 HB3 HIS 108 HB2 HIS 108 34.374 -27.043 4.375 692 HD1 HIS 108 HD1 HIS 108 33.135 -27.960 6.606 693 HD2 HIS 108 HD2 HIS 108 32.091 -24.149 5.322 694 HE1 HIS 108 HE1 HIS 108 30.954 -27.439 7.747 695 HE2 HIS 108 HE2 HIS 108 30.317 -25.110 6.963 696 H HIS 109 H HIS 109 35.502 -28.423 5.604 697 HA HIS 109 HA HIS 109 36.926 -30.123 5.087 698 HB2 HIS 109 HB1 HIS 109 37.639 -28.008 3.070 699 HB3 HIS 109 HB2 HIS 109 38.514 -29.542 3.106 700 HD1 HIS 109 HD1 HIS 109 34.799 -29.261 3.691 701 HD2 HIS 109 HD2 HIS 109 37.458 -30.611 0.799 702 HE1 HIS 109 HE1 HIS 109 33.393 -30.483 2.003 703 HE2 HIS 109 HE2 HIS 109 35.016 -31.310 0.234 704 H HIS 110 H HIS 110 38.001 -30.154 7.089 705 HA HIS 110 HA HIS 110 40.765 -29.167 6.954 706 HB2 HIS 110 HB1 HIS 110 40.638 -28.679 9.411 707 HB3 HIS 110 HB2 HIS 110 39.666 -27.606 8.400 708 HD1 HIS 110 HD1 HIS 110 37.075 -27.854 8.525 709 HD2 HIS 110 HD2 HIS 110 39.170 -30.254 11.191 710 HE1 HIS 110 HE1 HIS 110 35.365 -28.678 10.174 711 HE2 HIS 110 HE2 HIS 110 36.645 -30.146 11.804 712 H HIS 111 H HIS 111 40.024 -31.726 6.265 713 HA HIS 111 HA HIS 111 40.688 -33.374 8.601 714 HB2 HIS 111 HB1 HIS 111 38.678 -33.761 6.905 715 HB3 HIS 111 HB2 HIS 111 39.939 -34.584 5.979 716 HD1 HIS 111 HD1 HIS 111 37.559 -35.168 8.629 717 HD2 HIS 111 HD2 HIS 111 41.267 -36.707 7.560 718 HE1 HIS 111 HE1 HIS 111 37.754 -37.360 9.847 719 HE2 HIS 111 HE2 HIS 111 40.020 -38.301 9.195 720 H HIS 112 H HIS 112 42.410 -34.814 8.577 721 HA HIS 112 HA HIS 112 44.322 -34.479 6.360 722 HB2 HIS 112 HB1 HIS 112 44.647 -34.002 9.218 723 HB3 HIS 112 HB2 HIS 112 45.845 -35.139 8.592 724 HD1 HIS 112 HD1 HIS 112 47.289 -34.245 6.492 725 HD2 HIS 112 HD2 HIS 112 45.217 -31.379 8.674 726 HE1 HIS 112 HE1 HIS 112 48.338 -32.043 5.877 727 HE2 HIS 112 HE2 HIS 112 47.072 -30.290 7.209 Start of MODEL 48 1 H1 MET 18 H MET 18 -66.563 36.593 13.090 2 HA MET 18 HA MET 18 -66.814 36.783 10.594 3 HB2 MET 18 HB1 MET 18 -66.153 39.252 10.823 4 HB3 MET 18 HB2 MET 18 -64.482 38.670 10.859 5 HG2 MET 18 HG1 MET 18 -64.855 37.571 8.662 6 HG3 MET 18 HG2 MET 18 -66.463 38.299 8.627 7 HE1 MET 18 HE1 MET 18 -62.439 40.151 8.736 8 HE2 MET 18 HE2 MET 18 -62.898 38.465 8.495 9 HE3 MET 18 HE3 MET 18 -62.726 39.539 7.106 10 H LEU 19 H LEU 19 -64.011 36.809 12.728 11 HA LEU 19 HA LEU 19 -63.001 34.439 11.304 12 HB2 LEU 19 HB1 LEU 19 -61.737 36.777 11.151 13 HB3 LEU 19 HB2 LEU 19 -61.085 36.224 12.703 14 HG LEU 19 HG LEU 19 -60.769 34.050 10.984 15 HD11 LEU 19 HD11 LEU 19 -59.303 35.317 9.237 16 HD12 LEU 19 HD12 LEU 19 -60.403 36.652 9.575 17 HD13 LEU 19 HD13 LEU 19 -61.035 35.121 8.970 18 HD21 LEU 19 HD21 LEU 19 -59.093 36.021 12.387 19 HD22 LEU 19 HD22 LEU 19 -58.312 35.168 11.053 20 HD23 LEU 19 HD23 LEU 19 -59.021 34.259 12.389 21 H VAL 20 H VAL 20 -63.614 32.859 12.676 22 HA VAL 20 HA VAL 20 -63.428 33.169 15.537 23 HB VAL 20 HB VAL 20 -64.024 30.671 13.947 24 HG11 VAL 20 HG11 VAL 20 -64.110 31.369 16.845 25 HG12 VAL 20 HG12 VAL 20 -65.290 30.226 16.200 26 HG13 VAL 20 HG13 VAL 20 -63.564 29.887 16.057 27 HG21 VAL 20 HG21 VAL 20 -66.416 31.382 14.859 28 HG22 VAL 20 HG22 VAL 20 -65.701 32.990 14.735 29 HG23 VAL 20 HG23 VAL 20 -65.796 31.955 13.311 30 H LEU 21 H LEU 21 -61.798 32.571 16.821 31 HA LEU 21 HA LEU 21 -59.336 31.666 15.670 32 HB2 LEU 21 HB1 LEU 21 -60.182 32.101 18.539 33 HB3 LEU 21 HB2 LEU 21 -58.535 31.687 18.027 34 HG LEU 21 HG LEU 21 -59.070 33.923 16.529 35 HD11 LEU 21 HD11 LEU 21 -60.109 34.525 19.280 36 HD12 LEU 21 HD12 LEU 21 -61.179 34.141 17.933 37 HD13 LEU 21 HD13 LEU 21 -60.125 35.552 17.846 38 HD21 LEU 21 HD21 LEU 21 -57.011 34.006 17.434 39 HD22 LEU 21 HD22 LEU 21 -57.526 33.254 18.943 40 HD23 LEU 21 HD23 LEU 21 -57.810 34.974 18.673 41 H ASP 22 H ASP 22 -58.800 29.632 15.280 42 HA ASP 22 HA ASP 22 -60.076 27.506 16.873 43 HB2 ASP 22 HB1 ASP 22 -59.597 27.809 13.979 44 HB3 ASP 22 HB2 ASP 22 -59.168 26.223 14.637 45 HD2 ASP 22 HD ASP 22 -63.001 27.266 14.774 46 H PHE 23 H PHE 23 -57.211 27.780 14.765 47 HA PHE 23 HA PHE 23 -55.515 26.948 16.992 48 HB2 PHE 23 HB1 PHE 23 -55.707 25.483 14.348 49 HB3 PHE 23 HB2 PHE 23 -54.397 25.251 15.508 50 HD1 PHE 23 HD1 PHE 23 -57.910 24.598 14.797 51 HD2 PHE 23 HD2 PHE 23 -54.774 24.143 17.639 52 HE1 PHE 23 HE1 PHE 23 -59.244 22.912 15.994 53 HE2 PHE 23 HE2 PHE 23 -56.102 22.456 18.840 54 HZ PHE 23 HZ PHE 23 -58.339 21.838 18.018 55 H ASN 24 H ASN 24 -53.177 27.120 16.438 56 HA ASN 24 HA ASN 24 -52.667 29.085 14.312 57 HB2 ASN 24 HB1 ASN 24 -51.788 29.237 17.203 58 HB3 ASN 24 HB2 ASN 24 -51.034 30.188 15.920 59 HD21 ASN 24 HD21 ASN 24 -52.034 31.968 15.142 60 HD22 ASN 24 HD22 ASN 24 -53.531 32.580 15.751 61 H ASN 25 H ASN 25 -50.430 29.188 13.618 62 HA ASN 25 HA ASN 25 -48.489 28.245 12.902 63 HB2 ASN 25 HB1 ASN 25 -48.326 28.130 15.567 64 HB3 ASN 25 HB2 ASN 25 -48.341 26.394 15.231 65 HD21 ASN 25 HD21 ASN 25 -46.184 26.489 16.168 66 HD22 ASN 25 HD22 ASN 25 -44.849 26.894 15.149 67 H ILE 26 H ILE 26 -47.408 25.964 12.549 68 HA ILE 26 HA ILE 26 -49.555 24.150 11.663 69 HB ILE 26 HB ILE 26 -46.786 24.459 10.494 70 HG12 ILE 26 HG11 ILE 26 -48.229 26.403 10.057 71 HG13 ILE 26 HG12 ILE 26 -47.908 25.481 8.579 72 HG21 ILE 26 HG21 ILE 26 -47.487 22.221 10.172 73 HG22 ILE 26 HG22 ILE 26 -49.126 22.720 9.754 74 HG23 ILE 26 HG23 ILE 26 -47.792 23.059 8.650 75 HD11 ILE 26 HD11 ILE 26 -50.071 25.236 8.210 76 HD12 ILE 26 HD12 ILE 26 -50.291 24.488 9.792 77 HD13 ILE 26 HD13 ILE 26 -50.398 26.240 9.623 78 H ARG 27 H ARG 27 -49.533 22.068 12.297 79 HA ARG 27 HA ARG 27 -47.162 21.095 13.748 80 HB2 ARG 27 HB1 ARG 27 -50.037 20.503 14.484 81 HB3 ARG 27 HB2 ARG 27 -48.587 19.996 15.363 82 HG2 ARG 27 HG1 ARG 27 -48.238 22.685 15.344 83 HG3 ARG 27 HG2 ARG 27 -50.003 22.565 15.388 84 HD2 ARG 27 HD1 ARG 27 -49.626 22.462 17.628 85 HD3 ARG 27 HD2 ARG 27 -49.433 20.744 17.250 86 HE ARG 27 HE ARG 27 -47.215 20.913 17.781 87 HH11 ARG 27 HH11 ARG 27 -48.501 24.106 17.260 88 HH12 ARG 27 HH12 ARG 27 -47.064 24.914 17.794 89 HH21 ARG 27 HH21 ARG 27 -45.318 21.965 18.485 90 HH22 ARG 27 HH22 ARG 27 -45.254 23.694 18.490 91 H SER 28 H SER 28 -47.545 18.578 14.147 92 HA SER 28 HA SER 28 -47.495 16.515 13.188 93 HB2 SER 28 HB1 SER 28 -50.025 17.713 12.444 94 HB3 SER 28 HB2 SER 28 -49.454 16.615 11.175 95 HG SER 28 HG SER 28 -50.541 15.340 12.585 96 H SER 29 H SER 29 -45.477 16.697 12.220 97 HA SER 29 HA SER 29 -45.535 16.760 9.315 98 HB2 SER 29 HB1 SER 29 -44.441 18.925 10.948 99 HB3 SER 29 HB2 SER 29 -43.247 18.241 9.832 100 HG SER 29 HG SER 29 -44.649 19.996 9.012 101 H ALA 30 H ALA 30 -44.259 15.229 8.494 102 HA ALA 30 HA ALA 30 -41.973 14.272 10.067 103 HB1 ALA 30 HB1 ALA 30 -44.143 12.529 8.910 104 HB2 ALA 30 HB2 ALA 30 -42.597 11.927 9.511 105 HB3 ALA 30 HB3 ALA 30 -43.720 12.726 10.611 106 H ASP 31 H ASP 31 -40.396 13.084 8.816 107 HA ASP 31 HA ASP 31 -40.596 12.958 5.964 108 HB2 ASP 31 HB1 ASP 31 -38.864 14.561 5.403 109 HB3 ASP 31 HB2 ASP 31 -40.164 15.378 6.282 110 HD2 ASP 31 HD ASP 31 -38.110 16.040 9.008 111 H LEU 32 H LEU 32 -38.207 12.568 5.071 112 HA LEU 32 HA LEU 32 -37.061 10.516 6.836 113 HB2 LEU 32 HB1 LEU 32 -36.799 10.863 3.845 114 HB3 LEU 32 HB2 LEU 32 -36.117 9.538 4.804 115 HG LEU 32 HG LEU 32 -38.717 9.269 5.444 116 HD11 LEU 32 HD11 LEU 32 -39.062 9.766 2.564 117 HD12 LEU 32 HD12 LEU 32 -38.939 11.202 3.579 118 HD13 LEU 32 HD13 LEU 32 -40.186 9.998 3.904 119 HD21 LEU 32 HD21 LEU 32 -38.545 7.808 3.116 120 HD22 LEU 32 HD22 LEU 32 -37.987 7.293 4.709 121 HD23 LEU 32 HD23 LEU 32 -36.858 8.037 3.575 122 H HIS 33 H HIS 33 -35.051 10.713 7.600 123 HA HIS 33 HA HIS 33 -33.405 12.928 6.574 124 HB2 HIS 33 HB1 HIS 33 -34.200 13.029 8.974 125 HB3 HIS 33 HB2 HIS 33 -33.178 11.623 9.289 126 HD1 HIS 33 HD1 HIS 33 -30.824 12.085 9.925 127 HD2 HIS 33 HD2 HIS 33 -32.589 15.324 8.013 128 HE1 HIS 33 HE1 HIS 33 -29.133 13.942 10.048 129 HE2 HIS 33 HE2 HIS 33 -30.211 15.923 8.879 130 H GLY 34 H GLY 34 -31.049 12.607 6.657 131 HA2 GLY 34 HA2 GLY 34 -30.157 9.825 6.643 132 HA3 GLY 34 HA3 GLY 34 -30.002 10.715 5.135 133 HA1 GLY 34 HA1 GLY 34 -30.134 10.470 7.243 134 H ALA 35 H ALA 35 -28.036 11.485 4.805 135 HA ALA 35 HA ALA 35 -26.661 13.118 6.640 136 HB1 ALA 35 HB1 ALA 35 -25.787 11.541 7.969 137 HB2 ALA 35 HB2 ALA 35 -26.126 10.247 6.819 138 HB3 ALA 35 HB3 ALA 35 -24.682 11.242 6.626 139 H ARG 36 H ARG 36 -24.373 13.570 5.880 140 HA ARG 36 HA ARG 36 -23.964 12.985 3.044 141 HB2 ARG 36 HB1 ARG 36 -24.460 15.678 4.245 142 HB3 ARG 36 HB2 ARG 36 -23.304 15.543 2.912 143 HG2 ARG 36 HG1 ARG 36 -24.927 14.835 1.393 144 HG3 ARG 36 HG2 ARG 36 -26.058 14.393 2.682 145 HD2 ARG 36 HD1 ARG 36 -25.187 17.244 2.453 146 HD3 ARG 36 HD2 ARG 36 -26.371 16.610 1.302 147 HE ARG 36 HE ARG 36 -26.818 17.229 4.053 148 HH11 ARG 36 HH11 ARG 36 -27.811 15.156 1.439 149 HH12 ARG 36 HH12 ARG 36 -29.397 14.887 2.081 150 HH21 ARG 36 HH21 ARG 36 -28.903 16.882 4.910 151 HH22 ARG 36 HH22 ARG 36 -30.017 15.869 4.056 152 H LYS 37 H LYS 37 -22.316 11.645 4.134 153 HA LYS 37 HA LYS 37 -19.835 13.164 4.407 154 HB2 LYS 37 HB1 LYS 37 -21.164 11.615 6.541 155 HB3 LYS 37 HB2 LYS 37 -19.440 11.271 6.325 156 HG2 LYS 37 HG1 LYS 37 -18.831 13.174 7.300 157 HG3 LYS 37 HG2 LYS 37 -19.970 14.116 6.322 158 HD2 LYS 37 HD1 LYS 37 -21.503 14.196 7.959 159 HD3 LYS 37 HD2 LYS 37 -21.280 12.482 8.357 160 HE2 LYS 37 HE1 LYS 37 -19.011 14.205 9.102 161 HE3 LYS 37 HE2 LYS 37 -20.525 14.568 9.944 162 HZ1 LYS 37 HZ1 LYS 37 -18.879 12.773 10.855 163 HZ2 LYS 37 HZ2 LYS 37 -19.682 11.767 9.757 164 HZ3 LYS 37 HZ3 LYS 37 -20.552 12.551 10.978 165 H GLY 38 H GLY 38 -18.281 12.282 3.208 166 HA2 GLY 38 HA2 GLY 38 -17.839 9.472 3.039 167 HA3 GLY 38 HA3 GLY 38 -18.610 10.075 1.579 168 HA1 GLY 38 HA1 GLY 38 -17.449 10.196 3.357 169 H SER 39 H SER 39 -17.419 12.515 1.248 170 HA SER 39 HA SER 39 -15.598 13.462 0.263 171 HB2 SER 39 HB1 SER 39 -14.870 12.769 2.834 172 HB3 SER 39 HB2 SER 39 -13.581 12.049 1.853 173 HG SER 39 HG SER 39 -12.827 13.968 1.483 174 H GLN 40 H GLN 40 -13.106 12.700 -0.388 175 HA GLN 40 HA GLN 40 -13.583 10.731 -2.425 176 HB2 GLN 40 HB1 GLN 40 -11.547 12.747 -1.809 177 HB3 GLN 40 HB2 GLN 40 -10.884 11.258 -2.500 178 HG2 GLN 40 HG1 GLN 40 -11.284 12.689 -4.323 179 HG3 GLN 40 HG2 GLN 40 -12.582 11.487 -4.344 180 HE21 GLN 40 HE21 GLN 40 -13.074 13.642 -5.750 181 HE22 GLN 40 HE22 GLN 40 -14.184 14.702 -4.957 182 H CYS 41 H CYS 41 -11.065 10.995 0.091 183 HA CYS 41 HA CYS 41 -11.372 8.214 0.788 184 HB2 CYS 41 HB1 CYS 41 -9.192 7.461 0.182 185 HB3 CYS 41 HB2 CYS 41 -9.905 8.193 -1.256 186 H LEU 42 H LEU 42 -10.538 7.733 2.792 187 HA LEU 42 HA LEU 42 -9.668 10.033 4.362 188 HB2 LEU 42 HB1 LEU 42 -10.801 7.334 4.994 189 HB3 LEU 42 HB2 LEU 42 -9.903 8.224 6.237 190 HG LEU 42 HG LEU 42 -11.633 10.137 5.494 191 HD11 LEU 42 HD11 LEU 42 -13.873 8.780 5.433 192 HD12 LEU 42 HD12 LEU 42 -12.852 7.533 4.719 193 HD13 LEU 42 HD13 LEU 42 -12.981 9.113 3.948 194 HD21 LEU 42 HD21 LEU 42 -12.866 9.624 7.475 195 HD22 LEU 42 HD22 LEU 42 -11.176 9.209 7.766 196 HD23 LEU 42 HD23 LEU 42 -12.351 7.937 7.423 197 H SER 43 H SER 43 -8.489 6.987 3.154 198 HA SER 43 HA SER 43 -5.784 7.717 3.800 199 HB2 SER 43 HB1 SER 43 -6.982 6.452 5.839 200 HB3 SER 43 HB2 SER 43 -6.500 5.038 4.885 201 HG SER 43 HG SER 43 -4.772 7.115 5.765 202 H ASP 44 H ASP 44 -4.287 5.767 3.187 203 HA ASP 44 HA ASP 44 -4.684 5.231 0.467 204 HB2 ASP 44 HB1 ASP 44 -2.920 3.568 2.266 205 HB3 ASP 44 HB2 ASP 44 -2.687 3.960 0.557 206 HD2 ASP 44 HD ASP 44 -1.829 7.335 1.586 207 H THR 45 H THR 45 -5.598 3.465 3.327 208 HA THR 45 HA THR 45 -6.006 0.920 2.281 209 HB THR 45 HB THR 45 -7.979 0.930 4.047 210 HG1 THR 45 HG1 THR 45 -6.441 2.993 5.176 211 HG21 THR 45 HG21 THR 45 -5.624 -0.109 4.143 212 HG22 THR 45 HG22 THR 45 -6.456 0.200 5.667 213 HG23 THR 45 HG23 THR 45 -5.197 1.301 5.111 214 H ASP 46 H ASP 46 -7.829 3.835 1.842 215 HA ASP 46 HA ASP 46 -10.265 2.640 0.991 216 HB2 ASP 46 HB1 ASP 46 -9.080 5.391 0.565 217 HB3 ASP 46 HB2 ASP 46 -10.685 4.928 -0.019 218 HD2 ASP 46 HD ASP 46 -12.082 5.318 3.084 219 H CYS 47 H CYS 47 -7.246 3.360 -0.568 220 HA CYS 47 HA CYS 47 -8.167 3.285 -3.251 221 HB2 CYS 47 HB1 CYS 47 -5.428 2.781 -2.062 222 HB3 CYS 47 HB2 CYS 47 -5.748 2.902 -3.794 223 H ASN 48 H ASN 48 -6.830 1.521 -4.685 224 HA ASN 48 HA ASN 48 -8.269 -0.829 -4.537 225 HB2 ASN 48 HB1 ASN 48 -7.132 -0.222 -6.569 226 HB3 ASN 48 HB2 ASN 48 -5.558 -0.307 -5.767 227 HD21 ASN 48 HD21 ASN 48 -4.736 -1.824 -7.172 228 HD22 ASN 48 HD22 ASN 48 -5.263 -3.470 -7.183 229 H THR 49 H THR 49 -4.759 -0.765 -3.951 230 HA THR 49 HA THR 49 -5.016 -2.152 -1.444 231 HB THR 49 HB THR 49 -3.793 -3.623 -3.786 232 HG1 THR 49 HG1 THR 49 -5.525 -5.097 -3.368 233 HG21 THR 49 HG21 THR 49 -3.311 -3.817 -0.980 234 HG22 THR 49 HG22 THR 49 -2.643 -4.799 -2.284 235 HG23 THR 49 HG23 THR 49 -4.155 -5.272 -1.509 236 H ARG 50 H ARG 50 -2.513 -2.144 -3.980 237 HA ARG 50 HA ARG 50 -0.617 -1.081 -2.024 238 HB2 ARG 50 HB1 ARG 50 -0.227 -2.311 -4.760 239 HB3 ARG 50 HB2 ARG 50 1.088 -1.668 -3.765 240 HG2 ARG 50 HG1 ARG 50 -0.742 -3.946 -3.003 241 HG3 ARG 50 HG2 ARG 50 0.927 -4.093 -3.577 242 HD2 ARG 50 HD1 ARG 50 1.616 -2.646 -1.617 243 HD3 ARG 50 HD2 ARG 50 -0.034 -2.842 -1.013 244 HE ARG 50 HE ARG 50 1.000 -5.384 -1.542 245 HH11 ARG 50 HH11 ARG 50 1.532 -2.710 0.625 246 HH12 ARG 50 HH12 ARG 50 2.133 -3.704 1.912 247 HH21 ARG 50 HH21 ARG 50 1.789 -6.701 0.144 248 HH22 ARG 50 HH22 ARG 50 2.280 -5.974 1.637 249 H LYS 51 H LYS 51 -2.323 0.860 -2.636 250 HA LYS 51 HA LYS 51 -0.699 2.670 -4.264 251 HB2 LYS 51 HB1 LYS 51 -3.693 2.317 -4.555 252 HB3 LYS 51 HB2 LYS 51 -2.743 3.603 -5.317 253 HG2 LYS 51 HG1 LYS 51 -1.443 1.891 -6.538 254 HG3 LYS 51 HG2 LYS 51 -2.490 0.647 -5.833 255 HD2 LYS 51 HD1 LYS 51 -4.328 1.272 -7.081 256 HD3 LYS 51 HD2 LYS 51 -3.746 2.934 -7.280 257 HE2 LYS 51 HE1 LYS 51 -2.277 2.367 -8.995 258 HE3 LYS 51 HE2 LYS 51 -2.239 0.664 -8.514 259 HZ1 LYS 51 HZ1 LYS 51 -3.526 0.755 -10.454 260 HZ2 LYS 51 HZ2 LYS 51 -4.402 2.104 -9.930 261 HZ3 LYS 51 HZ3 LYS 51 -4.652 0.598 -9.201 262 H PHE 52 H PHE 52 -0.480 4.651 -3.395 263 HA PHE 52 HA PHE 52 -1.842 5.166 -0.867 264 HB2 PHE 52 HB1 PHE 52 -0.182 6.938 -0.546 265 HB3 PHE 52 HB2 PHE 52 0.598 5.400 -0.922 266 HD1 PHE 52 HD1 PHE 52 1.832 5.068 -2.942 267 HD2 PHE 52 HD2 PHE 52 -0.213 8.732 -2.226 268 HE1 PHE 52 HE1 PHE 52 3.057 6.113 -4.804 269 HE2 PHE 52 HE2 PHE 52 1.008 9.781 -4.086 270 HZ PHE 52 HZ PHE 52 2.645 8.471 -5.379 271 H CYS 53 H CYS 53 -3.095 6.959 -0.458 272 HA CYS 53 HA CYS 53 -4.325 8.171 -2.786 273 HB2 CYS 53 HB1 CYS 53 -5.302 7.369 -0.361 274 HB3 CYS 53 HB2 CYS 53 -5.147 9.109 -0.118 275 H LEU 54 H LEU 54 -3.098 9.736 -3.674 276 HA LEU 54 HA LEU 54 -1.625 11.609 -2.039 277 HB2 LEU 54 HB1 LEU 54 -0.728 10.756 -4.173 278 HB3 LEU 54 HB2 LEU 54 -2.063 11.556 -5.023 279 HG LEU 54 HG LEU 54 -0.752 13.534 -3.480 280 HD11 LEU 54 HD11 LEU 54 1.496 13.358 -4.690 281 HD12 LEU 54 HD12 LEU 54 1.100 11.653 -4.901 282 HD13 LEU 54 HD13 LEU 54 1.237 12.331 -3.279 283 HD21 LEU 54 HD21 LEU 54 -1.965 13.485 -5.802 284 HD22 LEU 54 HD22 LEU 54 -0.332 13.219 -6.415 285 HD23 LEU 54 HD23 LEU 54 -0.697 14.667 -5.476 286 H GLN 55 H GLN 55 -2.256 13.584 -1.433 287 HA GLN 55 HA GLN 55 -4.736 14.657 -2.609 288 HB2 GLN 55 HB1 GLN 55 -3.755 15.190 0.198 289 HB3 GLN 55 HB2 GLN 55 -5.345 15.564 -0.487 290 HG2 GLN 55 HG1 GLN 55 -5.720 13.097 -0.751 291 HG3 GLN 55 HG2 GLN 55 -4.233 12.852 0.177 292 HE21 GLN 55 HE21 GLN 55 -4.307 12.933 2.337 293 HE22 GLN 55 HE22 GLN 55 -5.705 13.346 3.263 294 HA PRO 56 HA PRO 56 -1.476 17.710 -3.628 295 HB2 PRO 56 HB1 PRO 56 -2.662 18.512 -5.964 296 HB3 PRO 56 HB2 PRO 56 -1.621 17.094 -5.837 297 HG2 PRO 56 HG1 PRO 56 -4.616 17.268 -5.783 298 HG3 PRO 56 HG2 PRO 56 -3.556 16.120 -6.686 299 HD2 PRO 56 HD1 PRO 56 -4.826 15.440 -4.385 300 HD3 PRO 56 HD2 PRO 56 -3.233 14.802 -4.824 301 H ARG 57 H ARG 57 -1.511 19.953 -3.491 302 HA ARG 57 HA ARG 57 -3.855 21.070 -2.220 303 HB2 ARG 57 HB1 ARG 57 -1.301 21.462 -1.696 304 HB3 ARG 57 HB2 ARG 57 -1.463 22.713 -2.938 305 HG2 ARG 57 HG1 ARG 57 -2.650 24.081 -1.610 306 HG3 ARG 57 HG2 ARG 57 -3.560 22.743 -0.887 307 HD2 ARG 57 HD1 ARG 57 -1.279 22.176 0.268 308 HD3 ARG 57 HD2 ARG 57 -0.903 23.864 -0.106 309 HE ARG 57 HE ARG 57 -3.363 23.936 1.104 310 HH11 ARG 57 HH11 ARG 57 -0.195 22.765 1.949 311 HH12 ARG 57 HH12 ARG 57 -0.405 23.034 3.647 312 HH21 ARG 57 HH21 ARG 57 -3.652 24.297 3.338 313 HH22 ARG 57 HH22 ARG 57 -2.373 23.905 4.436 314 H ASP 58 H ASP 58 -2.330 21.145 -5.334 315 HA ASP 58 HA ASP 58 -3.897 23.432 -6.223 316 HB2 ASP 58 HB1 ASP 58 -1.547 21.951 -7.196 317 HB3 ASP 58 HB2 ASP 58 -2.674 22.435 -8.469 318 HD2 ASP 58 HD ASP 58 -1.343 25.573 -8.414 319 H GLU 59 H GLU 59 -4.008 19.987 -6.276 320 HA GLU 59 HA GLU 59 -6.347 20.107 -8.065 321 HB2 GLU 59 HB1 GLU 59 -3.973 18.700 -8.485 322 HB3 GLU 59 HB2 GLU 59 -5.123 17.480 -7.918 323 HG2 GLU 59 HG1 GLU 59 -6.730 18.386 -9.670 324 HG3 GLU 59 HG2 GLU 59 -5.333 19.247 -10.332 325 HE2 GLU 59 HE GLU 59 -5.682 15.892 -11.833 326 H LYS 60 H LYS 60 -7.557 17.818 -7.763 327 HA LYS 60 HA LYS 60 -8.419 17.848 -4.992 328 HB2 LYS 60 HB1 LYS 60 -9.541 17.016 -7.576 329 HB3 LYS 60 HB2 LYS 60 -9.930 15.922 -6.239 330 HG2 LYS 60 HG1 LYS 60 -11.327 17.383 -5.261 331 HG3 LYS 60 HG2 LYS 60 -10.287 18.770 -5.633 332 HD2 LYS 60 HD1 LYS 60 -11.050 18.532 -8.046 333 HD3 LYS 60 HD2 LYS 60 -12.280 17.411 -7.434 334 HE2 LYS 60 HE1 LYS 60 -13.528 19.057 -6.520 335 HE3 LYS 60 HE2 LYS 60 -12.103 19.958 -5.981 336 HZ1 LYS 60 HZ1 LYS 60 -12.708 21.362 -7.602 337 HZ2 LYS 60 HZ2 LYS 60 -13.620 20.206 -8.433 338 HZ3 LYS 60 HZ3 LYS 60 -11.941 20.261 -8.633 339 HA PRO 61 HA PRO 61 -6.464 14.160 -3.642 340 HB2 PRO 61 HB1 PRO 61 -8.411 12.977 -2.120 341 HB3 PRO 61 HB2 PRO 61 -7.544 14.432 -1.632 342 HG2 PRO 61 HG1 PRO 61 -10.233 14.168 -2.934 343 HG3 PRO 61 HG2 PRO 61 -9.737 15.201 -1.542 344 HD2 PRO 61 HD1 PRO 61 -10.028 16.175 -4.061 345 HD3 PRO 61 HD2 PRO 61 -8.813 16.795 -2.929 346 H PHE 62 H PHE 62 -6.130 12.065 -4.243 347 HA PHE 62 HA PHE 62 -8.187 10.367 -5.248 348 HB2 PHE 62 HB1 PHE 62 -7.591 10.235 -7.548 349 HB3 PHE 62 HB2 PHE 62 -7.796 11.949 -7.179 350 HD1 PHE 62 HD1 PHE 62 -5.721 13.335 -6.680 351 HD2 PHE 62 HD2 PHE 62 -5.579 9.476 -8.469 352 HE1 PHE 62 HE1 PHE 62 -3.463 13.817 -7.532 353 HE2 PHE 62 HE2 PHE 62 -3.321 9.951 -9.323 354 HZ PHE 62 HZ PHE 62 -2.260 12.124 -8.855 355 H CYS 63 H CYS 63 -7.070 8.391 -6.410 356 HA CYS 63 HA CYS 63 -4.942 7.543 -4.603 357 HB2 CYS 63 HB1 CYS 63 -6.768 6.062 -6.498 358 HB3 CYS 63 HB2 CYS 63 -5.411 5.276 -5.690 359 H ALA 64 H ALA 64 -2.882 7.406 -5.198 360 HA ALA 64 HA ALA 64 -2.236 7.669 -8.054 361 HB1 ALA 64 HB1 ALA 64 -0.735 8.420 -5.565 362 HB2 ALA 64 HB2 ALA 64 0.060 8.305 -7.135 363 HB3 ALA 64 HB3 ALA 64 -1.256 9.454 -6.896 364 H THR 65 H THR 65 -0.609 6.371 -8.985 365 HA THR 65 HA THR 65 -0.565 3.678 -7.989 366 HB THR 65 HB THR 65 1.238 4.491 -10.215 367 HG1 THR 65 HG1 THR 65 -0.333 5.336 -11.340 368 HG21 THR 65 HG21 THR 65 1.148 2.305 -10.633 369 HG22 THR 65 HG22 THR 65 -0.609 2.367 -10.770 370 HG23 THR 65 HG23 THR 65 0.144 2.105 -9.197 371 H CYS 66 H CYS 66 1.468 2.434 -7.791 372 HA CYS 66 HA CYS 66 3.172 3.557 -5.866 373 HB2 CYS 66 HB1 CYS 66 2.744 1.131 -6.112 374 HB3 CYS 66 HB2 CYS 66 3.670 1.137 -7.614 375 H ARG 67 H ARG 67 5.198 4.427 -5.950 376 HA ARG 67 HA ARG 67 6.050 5.418 -8.552 377 HB2 ARG 67 HB1 ARG 67 6.431 6.206 -5.737 378 HB3 ARG 67 HB2 ARG 67 7.848 6.435 -6.772 379 HG2 ARG 67 HG1 ARG 67 6.665 8.479 -6.805 380 HG3 ARG 67 HG2 ARG 67 6.356 7.689 -8.361 381 HD2 ARG 67 HD1 ARG 67 4.170 7.043 -7.734 382 HD3 ARG 67 HD2 ARG 67 4.489 7.388 -6.027 383 HE ARG 67 HE ARG 67 3.930 9.568 -6.408 384 HH11 ARG 67 HH11 ARG 67 4.658 8.048 -9.454 385 HH12 ARG 67 HH12 ARG 67 4.169 9.414 -10.401 386 HH21 ARG 67 HH21 ARG 67 3.283 11.373 -7.644 387 HH22 ARG 67 HH22 ARG 67 3.388 11.305 -9.370 388 H GLY 68 H GLY 68 8.038 5.012 -9.488 389 HA2 GLY 68 HA2 GLY 68 9.247 2.491 -8.770 390 HA3 GLY 68 HA3 GLY 68 9.676 3.504 -10.139 391 HA1 GLY 68 HA1 GLY 68 9.174 3.080 -8.119 392 H LEU 69 H LEU 69 11.817 2.575 -9.191 393 HA LEU 69 HA LEU 69 12.863 3.848 -6.861 394 HB2 LEU 69 HB1 LEU 69 14.036 2.200 -9.081 395 HB3 LEU 69 HB2 LEU 69 15.081 3.007 -7.899 396 HG LEU 69 HG LEU 69 12.957 0.968 -7.232 397 HD11 LEU 69 HD11 LEU 69 14.832 -0.523 -6.760 398 HD12 LEU 69 HD12 LEU 69 15.959 0.708 -7.327 399 HD13 LEU 69 HD13 LEU 69 14.817 -0.027 -8.452 400 HD21 LEU 69 HD21 LEU 69 14.983 2.439 -5.561 401 HD22 LEU 69 HD22 LEU 69 14.157 0.977 -5.022 402 HD23 LEU 69 HD23 LEU 69 13.228 2.433 -5.384 403 H ARG 70 H ARG 70 12.624 4.699 -10.194 404 HA ARG 70 HA ARG 70 14.646 6.791 -9.962 405 HB2 ARG 70 HB1 ARG 70 12.897 6.055 -12.322 406 HB3 ARG 70 HB2 ARG 70 14.290 7.148 -12.343 407 HG2 ARG 70 HG1 ARG 70 15.461 4.930 -11.351 408 HG3 ARG 70 HG2 ARG 70 14.195 4.208 -12.360 409 HD2 ARG 70 HD1 ARG 70 14.979 5.712 -14.239 410 HD3 ARG 70 HD2 ARG 70 16.361 6.120 -13.211 411 HE ARG 70 HE ARG 70 16.220 3.340 -13.367 412 HH11 ARG 70 HH11 ARG 70 16.804 6.062 -15.459 413 HH12 ARG 70 HH12 ARG 70 17.831 5.178 -16.539 414 HH21 ARG 70 HH21 ARG 70 17.571 2.166 -14.782 415 HH22 ARG 70 HH22 ARG 70 18.264 2.961 -16.154 416 H ARG 71 H ARG 71 11.765 6.620 -8.750 417 HA ARG 71 HA ARG 71 10.696 9.136 -9.798 418 HB2 ARG 71 HB1 ARG 71 9.578 6.899 -8.143 419 HB3 ARG 71 HB2 ARG 71 8.813 8.495 -8.094 420 HG2 ARG 71 HG1 ARG 71 9.289 6.916 -10.622 421 HG3 ARG 71 HG2 ARG 71 7.771 6.933 -9.709 422 HD2 ARG 71 HD1 ARG 71 7.740 9.442 -9.983 423 HD3 ARG 71 HD2 ARG 71 9.102 9.251 -11.096 424 HE ARG 71 HE ARG 71 7.276 7.574 -12.138 425 HH11 ARG 71 HH11 ARG 71 7.097 10.893 -11.105 426 HH12 ARG 71 HH12 ARG 71 5.870 11.321 -12.250 427 HH21 ARG 71 HH21 ARG 71 5.659 8.124 -13.650 428 HH22 ARG 71 HH22 ARG 71 5.052 9.744 -13.697 429 H ARG 72 H ARG 72 10.969 11.002 -8.768 430 HA ARG 72 HA ARG 72 12.552 11.212 -6.440 431 HB2 ARG 72 HB1 ARG 72 10.745 13.241 -7.778 432 HB3 ARG 72 HB2 ARG 72 11.910 13.617 -6.499 433 HG2 ARG 72 HG1 ARG 72 12.846 12.257 -8.995 434 HG3 ARG 72 HG2 ARG 72 12.545 14.002 -8.988 435 HD2 ARG 72 HD1 ARG 72 13.998 13.597 -6.663 436 HD3 ARG 72 HD2 ARG 72 14.740 12.489 -7.827 437 HE ARG 72 HE ARG 72 15.642 14.293 -8.888 438 HH11 ARG 72 HH11 ARG 72 12.925 15.365 -6.992 439 HH12 ARG 72 HH12 ARG 72 13.191 17.045 -7.322 440 HH21 ARG 72 HH21 ARG 72 16.002 16.501 -9.330 441 HH22 ARG 72 HH22 ARG 72 14.940 17.690 -8.652 442 H CYS 73 H CYS 73 12.047 11.260 -4.336 443 HA CYS 73 HA CYS 73 9.266 11.693 -3.530 444 HB2 CYS 73 HB1 CYS 73 9.162 9.746 -2.165 445 HB3 CYS 73 HB2 CYS 73 9.702 9.221 -3.761 446 H GLN 74 H GLN 74 9.007 12.367 -1.355 447 HA GLN 74 HA GLN 74 11.492 13.383 -0.142 448 HB2 GLN 74 HB1 GLN 74 10.003 15.156 -0.949 449 HB3 GLN 74 HB2 GLN 74 8.691 14.506 0.047 450 HG2 GLN 74 HG1 GLN 74 9.549 16.359 1.222 451 HG3 GLN 74 HG2 GLN 74 10.148 14.915 2.052 452 HE21 GLN 74 HE21 GLN 74 11.337 17.372 2.390 453 HE22 GLN 74 HE22 GLN 74 12.915 17.347 1.685 454 H ARG 75 H ARG 75 8.598 11.548 0.350 455 HA ARG 75 HA ARG 75 9.475 10.971 3.098 456 HB2 ARG 75 HB1 ARG 75 7.057 10.714 3.710 457 HB3 ARG 75 HB2 ARG 75 7.552 12.373 3.340 458 HG2 ARG 75 HG1 ARG 75 6.690 11.312 0.899 459 HG3 ARG 75 HG2 ARG 75 5.519 10.757 2.108 460 HD2 ARG 75 HD1 ARG 75 4.548 12.763 1.861 461 HD3 ARG 75 HD2 ARG 75 5.902 13.377 2.820 462 HE ARG 75 HE ARG 75 6.665 13.280 0.116 463 HH11 ARG 75 HH11 ARG 75 4.548 15.032 2.253 464 HH12 ARG 75 HH12 ARG 75 4.597 16.491 1.319 465 HH21 ARG 75 HH21 ARG 75 6.738 15.194 -1.123 466 HH22 ARG 75 HH22 ARG 75 5.843 16.580 -0.603 467 H ASP 76 H ASP 76 9.700 8.872 3.551 468 HA ASP 76 HA ASP 76 9.586 6.895 1.595 469 HB2 ASP 76 HB1 ASP 76 9.312 6.322 4.546 470 HB3 ASP 76 HB2 ASP 76 10.102 5.338 3.306 471 HD2 ASP 76 HD ASP 76 13.093 6.909 3.806 472 H ALA 77 H ALA 77 7.106 8.154 3.641 473 HA ALA 77 HA ALA 77 5.306 6.025 3.709 474 HB1 ALA 77 HB1 ALA 77 4.879 7.892 5.095 475 HB2 ALA 77 HB2 ALA 77 4.862 9.000 3.722 476 HB3 ALA 77 HB3 ALA 77 3.556 7.833 3.931 477 H MET 78 H MET 78 5.705 8.591 1.288 478 HA MET 78 HA MET 78 3.558 7.719 -0.359 479 HB2 MET 78 HB1 MET 78 4.283 9.333 -1.931 480 HB3 MET 78 HB2 MET 78 4.612 10.025 -0.335 481 HG2 MET 78 HG1 MET 78 6.702 10.390 -0.969 482 HG3 MET 78 HG2 MET 78 6.933 8.641 -1.030 483 HE1 MET 78 HE1 MET 78 4.598 10.775 -3.655 484 HE2 MET 78 HE2 MET 78 5.802 11.765 -2.831 485 HE3 MET 78 HE3 MET 78 5.975 11.413 -4.551 486 H CYS 79 H CYS 79 6.763 6.620 0.104 487 HA CYS 79 HA CYS 79 6.909 5.309 -2.492 488 HB2 CYS 79 HB1 CYS 79 8.867 6.426 -1.166 489 HB3 CYS 79 HB2 CYS 79 8.896 4.899 -0.282 490 H CYS 80 H CYS 80 6.613 3.174 -2.848 491 HA CYS 80 HA CYS 80 5.012 1.640 -1.206 492 HB2 CYS 80 HB1 CYS 80 6.832 1.037 -3.496 493 HB3 CYS 80 HB2 CYS 80 6.187 -0.319 -2.569 494 HA PRO 81 HA PRO 81 7.497 -0.130 1.946 495 HB2 PRO 81 HB1 PRO 81 6.532 -2.690 2.095 496 HB3 PRO 81 HB2 PRO 81 5.631 -1.277 2.642 497 HG2 PRO 81 HG1 PRO 81 5.453 -2.754 0.039 498 HG3 PRO 81 HG2 PRO 81 4.127 -2.165 1.108 499 HD2 PRO 81 HD1 PRO 81 4.880 -0.856 -1.148 500 HD3 PRO 81 HD2 PRO 81 4.297 -0.014 0.298 501 H GLY 82 H GLY 82 9.411 -1.187 2.247 502 HA2 GLY 82 HA2 GLY 82 10.929 -3.000 1.771 503 HA3 GLY 82 HA3 GLY 82 10.300 -3.034 0.130 504 HA1 GLY 82 HA1 GLY 82 10.913 -2.137 1.957 505 H THR 83 H THR 83 10.419 0.043 0.278 506 HA THR 83 HA THR 83 13.298 0.244 -0.328 507 HB THR 83 HB THR 83 12.607 2.176 -1.829 508 HG1 THR 83 HG1 THR 83 10.050 0.950 -1.518 509 HG21 THR 83 HG21 THR 83 12.554 -0.645 -2.276 510 HG22 THR 83 HG22 THR 83 12.998 0.643 -3.396 511 HG23 THR 83 HG23 THR 83 11.320 0.116 -3.278 512 H LEU 84 H LEU 84 14.014 2.651 -0.282 513 HA LEU 84 HA LEU 84 12.786 4.050 1.986 514 HB2 LEU 84 HB1 LEU 84 15.532 2.973 1.763 515 HB3 LEU 84 HB2 LEU 84 15.382 4.613 2.416 516 HG LEU 84 HG LEU 84 15.489 2.994 4.213 517 HD11 LEU 84 HD11 LEU 84 13.669 3.760 5.482 518 HD12 LEU 84 HD12 LEU 84 12.642 3.939 4.060 519 HD13 LEU 84 HD13 LEU 84 13.991 5.045 4.319 520 HD21 LEU 84 HD21 LEU 84 14.363 1.057 4.281 521 HD22 LEU 84 HD22 LEU 84 14.142 1.314 2.550 522 HD23 LEU 84 HD23 LEU 84 12.873 1.786 3.681 523 H CYS 85 H CYS 85 12.784 6.249 1.852 524 HA CYS 85 HA CYS 85 13.339 7.400 -0.720 525 HB2 CYS 85 HB1 CYS 85 12.037 8.263 1.803 526 HB3 CYS 85 HB2 CYS 85 12.735 9.543 0.810 527 H VAL 86 H VAL 86 15.429 7.680 -1.227 528 HA VAL 86 HA VAL 86 17.073 9.258 0.638 529 HB VAL 86 HB VAL 86 18.047 6.962 -1.067 530 HG11 VAL 86 HG11 VAL 86 19.697 8.737 -0.948 531 HG12 VAL 86 HG12 VAL 86 19.545 8.788 0.810 532 HG13 VAL 86 HG13 VAL 86 20.214 7.359 0.022 533 HG21 VAL 86 HG21 VAL 86 17.303 7.220 1.791 534 HG22 VAL 86 HG22 VAL 86 17.165 5.838 0.705 535 HG23 VAL 86 HG23 VAL 86 18.728 6.255 1.407 536 H ASN 87 H ASN 87 18.383 10.815 -0.262 537 HA ASN 87 HA ASN 87 19.027 12.398 -1.762 538 HB2 ASN 87 HB1 ASN 87 19.830 10.012 -2.788 539 HB3 ASN 87 HB2 ASN 87 18.819 10.611 -4.108 540 HD21 ASN 87 HD21 ASN 87 21.869 10.624 -2.839 541 HD22 ASN 87 HD22 ASN 87 22.505 12.008 -3.655 542 H ASP 88 H ASP 88 16.201 12.041 -1.243 543 HA ASP 88 HA ASP 88 14.212 12.901 -1.938 544 HB2 ASP 88 HB1 ASP 88 16.166 14.558 -3.046 545 HB3 ASP 88 HB2 ASP 88 15.088 14.182 -4.396 546 HD2 ASP 88 HD ASP 88 13.804 17.033 -2.462 547 H VAL 89 H VAL 89 15.319 10.343 -3.008 548 HA VAL 89 HA VAL 89 13.304 9.966 -5.075 549 HB VAL 89 HB VAL 89 15.357 10.517 -6.328 550 HG11 VAL 89 HG11 VAL 89 17.065 9.790 -4.829 551 HG12 VAL 89 HG12 VAL 89 16.473 8.128 -4.869 552 HG13 VAL 89 HG13 VAL 89 17.214 8.837 -6.304 553 HG21 VAL 89 HG21 VAL 89 14.554 7.619 -6.571 554 HG22 VAL 89 HG22 VAL 89 13.682 8.984 -7.270 555 HG23 VAL 89 HG23 VAL 89 15.312 8.600 -7.824 556 H CYS 90 H CYS 90 12.611 7.822 -5.303 557 HA CYS 90 HA CYS 90 12.745 6.242 -2.972 558 HB2 CYS 90 HB1 CYS 90 11.625 5.879 -5.725 559 HB3 CYS 90 HB2 CYS 90 11.741 4.475 -4.663 560 H THR 91 H THR 91 14.598 5.333 -2.333 561 HA THR 91 HA THR 91 16.185 3.861 -4.334 562 HB THR 91 HB THR 91 17.123 5.065 -1.722 563 HG1 THR 91 HG1 THR 91 17.555 5.808 -4.440 564 HG21 THR 91 HG21 THR 91 18.308 2.985 -2.323 565 HG22 THR 91 HG22 THR 91 19.355 4.400 -2.422 566 HG23 THR 91 HG23 THR 91 18.702 3.682 -3.894 567 H THR 92 H THR 92 16.280 1.724 -4.133 568 HA THR 92 HA THR 92 14.809 0.238 -2.336 569 HB THR 92 HB THR 92 16.923 -1.449 -2.953 570 HG1 THR 92 HG1 THR 92 16.444 -0.014 -5.324 571 HG21 THR 92 HG21 THR 92 14.227 -0.878 -4.039 572 HG22 THR 92 HG22 THR 92 14.894 -2.378 -3.393 573 HG23 THR 92 HG23 THR 92 15.289 -1.871 -5.036 574 H MET 93 H MET 93 15.340 -1.020 -0.509 575 HA MET 93 HA MET 93 16.879 0.254 1.439 576 HB2 MET 93 HB1 MET 93 15.057 -1.787 1.420 577 HB3 MET 93 HB2 MET 93 16.556 -2.646 1.803 578 HG2 MET 93 HG1 MET 93 16.774 -1.680 3.844 579 HG3 MET 93 HG2 MET 93 16.028 -0.168 3.319 580 HE1 MET 93 HE1 MET 93 14.017 -1.865 6.385 581 HE2 MET 93 HE2 MET 93 15.719 -1.590 6.009 582 HE3 MET 93 HE3 MET 93 14.564 -0.262 5.893 583 H GLU 94 H GLU 94 17.689 -2.334 -0.801 584 HA GLU 94 HA GLU 94 20.166 -3.041 0.370 585 HB2 GLU 94 HB1 GLU 94 18.968 -3.407 -2.368 586 HB3 GLU 94 HB2 GLU 94 20.630 -3.909 -2.021 587 HG2 GLU 94 HG1 GLU 94 19.949 -5.521 -0.453 588 HG3 GLU 94 HG2 GLU 94 18.314 -4.850 -0.367 589 HE2 GLU 94 HE GLU 94 17.694 -7.528 -2.513 590 H ASP 95 H ASP 95 19.180 -0.465 -1.726 591 HA ASP 95 HA ASP 95 21.915 0.219 -2.446 592 HB2 ASP 95 HB1 ASP 95 19.195 1.221 -3.227 593 HB3 ASP 95 HB2 ASP 95 20.615 2.238 -3.508 594 HD2 ASP 95 HD ASP 95 20.489 0.429 -6.512 595 H ALA 96 H ALA 96 19.334 1.336 -0.347 596 HA ALA 96 HA ALA 96 20.321 3.841 0.358 597 HB1 ALA 96 HB1 ALA 96 18.708 1.852 1.941 598 HB2 ALA 96 HB2 ALA 96 19.052 3.490 2.498 599 HB3 ALA 96 HB3 ALA 96 18.120 3.239 1.022 600 H THR 97 H THR 97 22.414 4.126 0.869 601 HA THR 97 HA THR 97 23.389 2.900 3.320 602 HB THR 97 HB THR 97 25.423 2.868 1.185 603 HG1 THR 97 HG1 THR 97 24.431 1.497 -0.080 604 HG21 THR 97 HG21 THR 97 26.409 1.475 2.626 605 HG22 THR 97 HG22 THR 97 24.994 0.423 2.673 606 HG23 THR 97 HG23 THR 97 25.092 1.820 3.745 607 H GLU 98 H GLU 98 24.217 5.017 0.581 608 HA GLU 98 HA GLU 98 25.309 7.012 0.472 609 HB2 GLU 98 HB1 GLU 98 23.253 7.409 2.069 610 HB3 GLU 98 HB2 GLU 98 24.517 7.606 3.294 611 HG2 GLU 98 HG1 GLU 98 25.574 9.315 1.750 612 HG3 GLU 98 HG2 GLU 98 24.074 9.242 0.817 613 HE2 GLU 98 HE GLU 98 22.379 10.526 3.786 614 H ASN 99 H ASN 99 26.879 4.806 1.294 615 HA ASN 99 HA ASN 99 28.745 6.047 3.203 616 HB2 ASN 99 HB1 ASN 99 27.941 3.237 2.662 617 HB3 ASN 99 HB2 ASN 99 29.644 3.512 3.054 618 HD21 ASN 99 HD21 ASN 99 30.232 4.132 5.093 619 HD22 ASN 99 HD22 ASN 99 29.134 4.153 6.427 620 H LEU 100 H LEU 100 30.167 7.199 2.032 621 HA LEU 100 HA LEU 100 31.628 5.776 -0.087 622 HB2 LEU 100 HB1 LEU 100 30.353 8.476 -0.144 623 HB3 LEU 100 HB2 LEU 100 31.874 8.231 -1.021 624 HG LEU 100 HG LEU 100 30.337 6.116 -1.875 625 HD11 LEU 100 HD11 LEU 100 28.297 6.803 -0.962 626 HD12 LEU 100 HD12 LEU 100 28.233 7.340 -2.640 627 HD13 LEU 100 HD13 LEU 100 28.588 8.498 -1.358 628 HD21 LEU 100 HD21 LEU 100 29.914 8.001 -3.794 629 HD22 LEU 100 HD22 LEU 100 31.394 7.058 -3.614 630 HD23 LEU 100 HD23 LEU 100 31.291 8.679 -2.926 631 H TYR 101 H TYR 101 32.093 6.421 2.830 632 HA TYR 101 HA TYR 101 33.844 6.971 4.172 633 HB2 TYR 101 HB1 TYR 101 34.956 5.996 1.767 634 HB3 TYR 101 HB2 TYR 101 35.904 7.420 2.206 635 HD1 TYR 101 HD1 TYR 101 37.841 6.921 3.339 636 HD2 TYR 101 HD2 TYR 101 34.374 4.576 4.102 637 HE1 TYR 101 HE1 TYR 101 39.102 5.607 4.992 638 HE2 TYR 101 HE2 TYR 101 35.625 3.256 5.758 639 HH TYR 101 HH TYR 101 39.048 3.928 6.438 640 H PHE 102 H PHE 102 35.659 8.691 4.459 641 HA PHE 102 HA PHE 102 34.884 11.221 3.189 642 HB2 PHE 102 HB1 PHE 102 34.915 10.564 6.114 643 HB3 PHE 102 HB2 PHE 102 35.323 12.200 5.596 644 HD1 PHE 102 HD1 PHE 102 32.655 9.672 5.648 645 HD2 PHE 102 HD2 PHE 102 33.676 13.712 4.784 646 HE1 PHE 102 HE1 PHE 102 30.266 10.237 5.486 647 HE2 PHE 102 HE2 PHE 102 31.290 14.284 4.621 648 HZ PHE 102 HZ PHE 102 29.580 12.547 4.974 649 H GLN 103 H GLN 103 36.915 10.491 2.039 650 HA GLN 103 HA GLN 103 39.412 10.478 3.338 651 HB2 GLN 103 HB1 GLN 103 38.927 11.297 0.471 652 HB3 GLN 103 HB2 GLN 103 40.388 10.572 1.160 653 HG2 GLN 103 HG1 GLN 103 38.504 8.685 1.755 654 HG3 GLN 103 HG2 GLN 103 37.937 9.306 0.199 655 HE21 GLN 103 HE21 GLN 103 39.747 6.981 1.546 656 HE22 GLN 103 HE22 GLN 103 40.852 6.660 0.257 657 H SER 104 H SER 104 40.362 12.101 4.361 658 HA SER 104 HA SER 104 40.645 14.680 3.136 659 HB2 SER 104 HB1 SER 104 38.328 14.568 4.389 660 HB3 SER 104 HB2 SER 104 39.337 14.790 5.829 661 HG SER 104 HG SER 104 39.807 16.485 3.668 662 H LEU 105 H LEU 105 42.485 12.740 3.905 663 HA LEU 105 HA LEU 105 44.006 14.235 5.907 664 HB2 LEU 105 HB1 LEU 105 42.926 11.545 6.222 665 HB3 LEU 105 HB2 LEU 105 44.683 11.613 6.443 666 HG LEU 105 HG LEU 105 43.002 13.582 7.913 667 HD11 LEU 105 HD11 LEU 105 43.281 11.451 9.658 668 HD12 LEU 105 HD12 LEU 105 42.725 10.711 8.158 669 HD13 LEU 105 HD13 LEU 105 41.787 12.005 8.903 670 HD21 LEU 105 HD21 LEU 105 45.619 13.269 7.833 671 HD22 LEU 105 HD22 LEU 105 45.278 12.037 9.048 672 HD23 LEU 105 HD23 LEU 105 44.793 13.710 9.327 673 H GLU 106 H GLU 106 46.302 13.819 5.837 674 HA GLU 106 HA GLU 106 47.351 13.748 3.252 675 HB2 GLU 106 HB1 GLU 106 48.317 14.261 5.818 676 HB3 GLU 106 HB2 GLU 106 49.281 12.891 5.244 677 HG2 GLU 106 HG1 GLU 106 50.537 14.250 4.038 678 HG3 GLU 106 HG2 GLU 106 49.110 14.768 3.132 679 HE2 GLU 106 HE GLU 106 50.692 17.560 5.003 680 H HIS 107 H HIS 107 48.546 12.196 2.119 681 HA HIS 107 HA HIS 107 47.637 9.496 2.496 682 HB2 HIS 107 HB1 HIS 107 49.012 11.039 0.407 683 HB3 HIS 107 HB2 HIS 107 49.558 9.364 0.533 684 HD1 HIS 107 HD1 HIS 107 46.766 11.418 -0.693 685 HD2 HIS 107 HD2 HIS 107 47.496 7.404 0.093 686 HE1 HIS 107 HE1 HIS 107 44.922 10.159 -1.851 687 HE2 HIS 107 HE2 HIS 107 45.368 7.707 -1.371 688 H HIS 108 H HIS 108 50.709 11.219 2.800 689 HA HIS 108 HA HIS 108 52.399 9.058 3.248 690 HB2 HIS 108 HB1 HIS 108 52.434 11.934 4.104 691 HB3 HIS 108 HB2 HIS 108 53.654 10.823 4.735 692 HD1 HIS 108 HD1 HIS 108 52.517 12.394 1.516 693 HD2 HIS 108 HD2 HIS 108 55.652 10.082 2.961 694 HE1 HIS 108 HE1 HIS 108 54.242 12.380 -0.314 695 HE2 HIS 108 HE2 HIS 108 56.159 10.968 0.569 696 H HIS 109 H HIS 109 51.871 7.454 4.609 697 HA HIS 109 HA HIS 109 51.060 8.177 7.348 698 HB2 HIS 109 HB1 HIS 109 50.171 6.089 5.473 699 HB3 HIS 109 HB2 HIS 109 50.476 5.508 7.114 700 HD1 HIS 109 HD1 HIS 109 49.421 7.792 8.805 701 HD2 HIS 109 HD2 HIS 109 47.462 6.362 5.431 702 HE1 HIS 109 HE1 HIS 109 47.011 8.448 9.098 703 HE2 HIS 109 HE2 HIS 109 45.813 7.575 7.035 704 H HIS 110 H HIS 110 52.305 7.572 9.016 705 HA HIS 110 HA HIS 110 53.989 6.621 10.221 706 HB2 HIS 110 HB1 HIS 110 53.246 4.601 8.313 707 HB3 HIS 110 HB2 HIS 110 54.996 4.567 8.554 708 HD1 HIS 110 HD1 HIS 110 52.092 3.075 9.880 709 HD2 HIS 110 HD2 HIS 110 55.552 4.640 11.567 710 HE1 HIS 110 HE1 HIS 110 52.245 2.053 12.173 711 HE2 HIS 110 HE2 HIS 110 54.359 3.009 13.204 712 H HIS 111 H HIS 111 55.178 5.881 6.956 713 HA HIS 111 HA HIS 111 57.058 6.511 5.841 714 HB2 HIS 111 HB1 HIS 111 55.841 8.755 6.162 715 HB3 HIS 111 HB2 HIS 111 57.021 9.065 7.438 716 HD1 HIS 111 HD1 HIS 111 57.027 8.215 3.732 717 HD2 HIS 111 HD2 HIS 111 59.330 10.190 6.571 718 HE1 HIS 111 HE1 HIS 111 58.915 9.270 2.450 719 HE2 HIS 111 HE2 HIS 111 60.324 10.478 4.185 720 H HIS 112 H HIS 112 57.679 4.798 7.738 721 HA HIS 112 HA HIS 112 59.364 5.550 9.811 722 HB2 HIS 112 HB1 HIS 112 58.413 3.188 8.920 723 HB3 HIS 112 HB2 HIS 112 60.079 3.072 8.345 724 HD1 HIS 112 HD1 HIS 112 61.157 4.731 10.940 725 HD2 HIS 112 HD2 HIS 112 58.935 1.221 10.880 726 HE1 HIS 112 HE1 HIS 112 61.614 3.608 13.144 727 HE2 HIS 112 HE2 HIS 112 60.255 1.462 13.108 Start of MODEL 49 1 H1 MET 18 H MET 18 24.401 -6.113 36.544 2 HA MET 18 HA MET 18 22.922 -7.626 38.571 3 HB2 MET 18 HB1 MET 18 25.269 -5.745 38.676 4 HB3 MET 18 HB2 MET 18 24.343 -6.128 40.136 5 HG2 MET 18 HG1 MET 18 25.045 -8.315 40.197 6 HG3 MET 18 HG2 MET 18 25.355 -8.365 38.459 7 HE1 MET 18 HE1 MET 18 26.932 -5.654 41.208 8 HE2 MET 18 HE2 MET 18 26.344 -7.186 41.855 9 HE3 MET 18 HE3 MET 18 28.079 -6.866 41.783 10 H LEU 19 H LEU 19 21.472 -5.906 36.835 11 HA LEU 19 HA LEU 19 20.829 -3.582 38.494 12 HB2 LEU 19 HB1 LEU 19 19.451 -2.865 36.569 13 HB3 LEU 19 HB2 LEU 19 21.163 -3.089 36.176 14 HG LEU 19 HG LEU 19 20.047 -5.530 35.529 15 HD11 LEU 19 HD11 LEU 19 17.811 -5.015 35.579 16 HD12 LEU 19 HD12 LEU 19 18.208 -4.617 33.908 17 HD13 LEU 19 HD13 LEU 19 18.073 -3.335 35.111 18 HD21 LEU 19 HD21 LEU 19 21.744 -4.372 34.253 19 HD22 LEU 19 HD22 LEU 19 20.586 -3.126 33.788 20 HD23 LEU 19 HD23 LEU 19 20.386 -4.780 33.205 21 H VAL 20 H VAL 20 18.380 -3.040 38.468 22 HA VAL 20 HA VAL 20 17.016 -5.352 39.597 23 HB VAL 20 HB VAL 20 15.373 -3.779 40.441 24 HG11 VAL 20 HG11 VAL 20 17.846 -2.279 41.035 25 HG12 VAL 20 HG12 VAL 20 16.676 -3.023 42.128 26 HG13 VAL 20 HG13 VAL 20 17.896 -4.017 41.332 27 HG21 VAL 20 HG21 VAL 20 16.753 -1.905 38.579 28 HG22 VAL 20 HG22 VAL 20 15.030 -2.135 38.872 29 HG23 VAL 20 HG23 VAL 20 16.015 -1.266 40.048 30 H LEU 21 H LEU 21 15.282 -6.341 38.726 31 HA LEU 21 HA LEU 21 14.556 -5.625 36.005 32 HB2 LEU 21 HB1 LEU 21 14.591 -8.027 37.608 33 HB3 LEU 21 HB2 LEU 21 13.007 -7.800 36.848 34 HG LEU 21 HG LEU 21 14.401 -7.464 34.668 35 HD11 LEU 21 HD11 LEU 21 16.314 -9.401 35.732 36 HD12 LEU 21 HD12 LEU 21 16.495 -7.775 36.391 37 HD13 LEU 21 HD13 LEU 21 16.563 -8.033 34.647 38 HD21 LEU 21 HD21 LEU 21 14.001 -10.139 36.003 39 HD22 LEU 21 HD22 LEU 21 14.346 -9.912 34.289 40 HD23 LEU 21 HD23 LEU 21 12.850 -9.280 34.979 41 H ASP 22 H ASP 22 12.454 -5.184 35.310 42 HA ASP 22 HA ASP 22 10.393 -4.226 35.408 43 HB2 ASP 22 HB1 ASP 22 10.429 -6.081 37.738 44 HB3 ASP 22 HB2 ASP 22 9.130 -4.881 37.679 45 HD2 ASP 22 HD ASP 22 9.050 -7.077 34.414 46 H PHE 23 H PHE 23 10.902 -2.081 35.508 47 HA PHE 23 HA PHE 23 10.308 -0.714 37.947 48 HB2 PHE 23 HB1 PHE 23 12.724 -1.409 38.237 49 HB3 PHE 23 HB2 PHE 23 13.110 -0.354 36.877 50 HD1 PHE 23 HD1 PHE 23 14.040 1.644 37.477 51 HD2 PHE 23 HD2 PHE 23 11.033 -0.051 39.967 52 HE1 PHE 23 HE1 PHE 23 14.208 3.577 38.990 53 HE2 PHE 23 HE2 PHE 23 11.197 1.880 41.484 54 HZ PHE 23 HZ PHE 23 12.784 3.697 40.995 55 H ASN 24 H ASN 24 8.923 -0.486 35.731 56 HA ASN 24 HA ASN 24 9.605 2.191 34.759 57 HB2 ASN 24 HB1 ASN 24 9.663 -0.225 33.183 58 HB3 ASN 24 HB2 ASN 24 8.403 0.860 32.579 59 HD21 ASN 24 HD21 ASN 24 9.181 3.246 32.537 60 HD22 ASN 24 HD22 ASN 24 10.717 3.493 31.784 61 H ASN 25 H ASN 25 7.143 -0.380 34.740 62 HA ASN 25 HA ASN 25 4.889 -0.329 35.036 63 HB2 ASN 25 HB1 ASN 25 5.668 1.049 37.059 64 HB3 ASN 25 HB2 ASN 25 5.178 2.468 36.124 65 HD21 ASN 25 HD21 ASN 25 4.176 0.316 38.382 66 HD22 ASN 25 HD22 ASN 25 2.466 0.473 38.197 67 H ILE 26 H ILE 26 5.140 -0.135 32.582 68 HA ILE 26 HA ILE 26 3.178 1.690 31.641 69 HB ILE 26 HB ILE 26 5.020 3.286 31.736 70 HG12 ILE 26 HG11 ILE 26 4.824 2.698 28.817 71 HG13 ILE 26 HG12 ILE 26 3.319 2.993 29.705 72 HG21 ILE 26 HG21 ILE 26 6.485 1.554 29.760 73 HG22 ILE 26 HG22 ILE 26 7.065 3.010 30.567 74 HG23 ILE 26 HG23 ILE 26 6.808 1.532 31.493 75 HD11 ILE 26 HD11 ILE 26 3.713 5.135 29.192 76 HD12 ILE 26 HD12 ILE 26 4.816 5.071 30.566 77 HD13 ILE 26 HD13 ILE 26 5.435 4.864 28.928 78 H ARG 27 H ARG 27 2.249 0.915 29.831 79 HA ARG 27 HA ARG 27 3.742 -0.866 28.073 80 HB2 ARG 27 HB1 ARG 27 1.667 -1.729 29.961 81 HB3 ARG 27 HB2 ARG 27 1.374 -2.241 28.293 82 HG2 ARG 27 HG1 ARG 27 3.273 -3.557 28.203 83 HG3 ARG 27 HG2 ARG 27 4.057 -2.676 29.525 84 HD2 ARG 27 HD1 ARG 27 1.529 -4.204 30.047 85 HD3 ARG 27 HD2 ARG 27 3.077 -5.055 29.946 86 HE ARG 27 HE ARG 27 3.404 -2.901 31.689 87 HH11 ARG 27 HH11 ARG 27 1.633 -5.893 31.504 88 HH12 ARG 27 HH12 ARG 27 1.593 -6.127 33.220 89 HH21 ARG 27 HH21 ARG 27 3.357 -3.198 33.950 90 HH22 ARG 27 HH22 ARG 27 2.573 -4.592 34.611 91 H SER 28 H SER 28 0.346 0.068 28.657 92 HA SER 28 HA SER 28 0.277 1.198 25.942 93 HB2 SER 28 HB1 SER 28 -1.839 0.197 25.465 94 HB3 SER 28 HB2 SER 28 -0.794 -1.098 26.076 95 HG SER 28 HG SER 28 -2.631 -1.334 27.216 96 H SER 29 H SER 29 -2.105 2.285 25.764 97 HA SER 29 HA SER 29 -3.392 4.063 26.365 98 HB2 SER 29 HB1 SER 29 -3.549 2.349 28.478 99 HB3 SER 29 HB2 SER 29 -2.918 3.805 29.268 100 HG SER 29 HG SER 29 -5.413 3.310 28.383 101 H ALA 30 H ALA 30 -2.241 5.779 25.635 102 HA ALA 30 HA ALA 30 -0.768 7.307 27.628 103 HB1 ALA 30 HB1 ALA 30 0.968 5.968 26.565 104 HB2 ALA 30 HB2 ALA 30 0.461 6.550 24.979 105 HB3 ALA 30 HB3 ALA 30 1.149 7.673 26.151 106 H ASP 31 H ASP 31 -3.310 7.706 26.433 107 HA ASP 31 HA ASP 31 -4.567 9.371 25.526 108 HB2 ASP 31 HB1 ASP 31 -2.426 10.639 26.737 109 HB3 ASP 31 HB2 ASP 31 -2.420 11.310 25.100 110 HD2 ASP 31 HD ASP 31 -5.898 12.312 25.823 111 H LEU 32 H LEU 32 -5.140 8.608 23.561 112 HA LEU 32 HA LEU 32 -3.427 9.375 21.293 113 HB2 LEU 32 HB1 LEU 32 -4.027 7.350 20.122 114 HB3 LEU 32 HB2 LEU 32 -3.297 6.958 21.689 115 HG LEU 32 HG LEU 32 -6.155 7.070 21.950 116 HD11 LEU 32 HD11 LEU 32 -6.551 4.993 20.543 117 HD12 LEU 32 HD12 LEU 32 -5.064 5.412 19.695 118 HD13 LEU 32 HD13 LEU 32 -6.430 6.527 19.681 119 HD21 LEU 32 HD21 LEU 32 -3.918 5.187 22.458 120 HD22 LEU 32 HD22 LEU 32 -5.554 4.527 22.413 121 HD23 LEU 32 HD23 LEU 32 -5.149 5.808 23.557 122 H HIS 33 H HIS 33 -4.448 10.198 19.505 123 HA HIS 33 HA HIS 33 -7.380 10.378 19.582 124 HB2 HIS 33 HB1 HIS 33 -5.653 12.507 20.124 125 HB3 HIS 33 HB2 HIS 33 -6.164 12.762 18.453 126 HD1 HIS 33 HD1 HIS 33 -7.762 12.166 21.847 127 HD2 HIS 33 HD2 HIS 33 -8.592 13.944 18.186 128 HE1 HIS 33 HE1 HIS 33 -9.977 13.320 22.147 129 HE2 HIS 33 HE2 HIS 33 -10.484 14.407 19.909 130 H GLY 34 H GLY 34 -8.368 10.844 17.501 131 HA2 GLY 34 HA2 GLY 34 -6.809 9.636 15.329 132 HA3 GLY 34 HA3 GLY 34 -8.560 9.782 15.386 133 HA1 GLY 34 HA1 GLY 34 -6.549 10.400 15.683 134 H ALA 35 H ALA 35 -7.618 10.466 13.074 135 HA ALA 35 HA ALA 35 -7.620 13.410 13.097 136 HB1 ALA 35 HB1 ALA 35 -6.074 13.431 11.214 137 HB2 ALA 35 HB2 ALA 35 -5.359 12.616 12.606 138 HB3 ALA 35 HB3 ALA 35 -5.985 11.670 11.255 139 H ARG 36 H ARG 36 -8.791 14.419 11.485 140 HA ARG 36 HA ARG 36 -10.129 12.759 9.487 141 HB2 ARG 36 HB1 ARG 36 -12.324 13.763 10.009 142 HB3 ARG 36 HB2 ARG 36 -11.692 12.785 11.343 143 HG2 ARG 36 HG1 ARG 36 -10.760 15.095 12.188 144 HG3 ARG 36 HG2 ARG 36 -12.059 15.730 11.165 145 HD2 ARG 36 HD1 ARG 36 -12.849 13.488 12.906 146 HD3 ARG 36 HD2 ARG 36 -12.365 14.962 13.755 147 HE ARG 36 HE ARG 36 -14.085 15.842 11.836 148 HH11 ARG 36 HH11 ARG 36 -14.258 13.461 14.370 149 HH12 ARG 36 HH12 ARG 36 -15.963 13.652 14.612 150 HH21 ARG 36 HH21 ARG 36 -16.331 16.102 12.145 151 HH22 ARG 36 HH22 ARG 36 -17.141 15.153 13.344 152 H LYS 37 H LYS 37 -11.211 14.054 7.812 153 HA LYS 37 HA LYS 37 -10.905 16.839 7.590 154 HB2 LYS 37 HB1 LYS 37 -8.514 15.420 7.136 155 HB3 LYS 37 HB2 LYS 37 -9.108 15.904 5.540 156 HG2 LYS 37 HG1 LYS 37 -9.003 18.181 6.040 157 HG3 LYS 37 HG2 LYS 37 -8.926 17.878 7.786 158 HD2 LYS 37 HD1 LYS 37 -6.698 17.694 7.763 159 HD3 LYS 37 HD2 LYS 37 -6.736 16.606 6.366 160 HE2 LYS 37 HE1 LYS 37 -5.684 18.340 5.348 161 HE3 LYS 37 HE2 LYS 37 -7.346 18.907 5.136 162 HZ1 LYS 37 HZ1 LYS 37 -5.315 20.243 6.401 163 HZ2 LYS 37 HZ2 LYS 37 -6.298 19.696 7.663 164 HZ3 LYS 37 HZ3 LYS 37 -6.957 20.649 6.431 165 H GLY 38 H GLY 38 -11.540 17.655 5.471 166 HA2 GLY 38 HA2 GLY 38 -13.507 15.923 4.259 167 HA3 GLY 38 HA3 GLY 38 -13.216 17.610 3.866 168 HA1 GLY 38 HA1 GLY 38 -12.690 15.599 4.308 169 H SER 39 H SER 39 -12.250 14.305 3.247 170 HA SER 39 HA SER 39 -11.183 15.157 0.660 171 HB2 SER 39 HB1 SER 39 -9.498 13.049 1.509 172 HB3 SER 39 HB2 SER 39 -9.059 14.745 1.238 173 HG SER 39 HG SER 39 -9.750 15.130 3.439 174 H GLN 40 H GLN 40 -10.501 12.974 -0.554 175 HA GLN 40 HA GLN 40 -12.944 11.422 -0.656 176 HB2 GLN 40 HB1 GLN 40 -10.624 11.902 -2.424 177 HB3 GLN 40 HB2 GLN 40 -11.346 10.289 -2.531 178 HG2 GLN 40 HG1 GLN 40 -12.595 11.333 -4.107 179 HG3 GLN 40 HG2 GLN 40 -13.581 11.686 -2.682 180 HE21 GLN 40 HE21 GLN 40 -12.726 13.051 -5.369 181 HE22 GLN 40 HE22 GLN 40 -12.482 14.690 -4.884 182 H CYS 41 H CYS 41 -9.687 11.075 0.480 183 HA CYS 41 HA CYS 41 -10.344 8.373 1.422 184 HB2 CYS 41 HB1 CYS 41 -8.126 7.555 0.870 185 HB3 CYS 41 HB2 CYS 41 -8.922 8.155 -0.586 186 H LEU 42 H LEU 42 -9.552 7.846 3.428 187 HA LEU 42 HA LEU 42 -8.654 10.072 5.047 188 HB2 LEU 42 HB1 LEU 42 -10.351 8.057 5.558 189 HB3 LEU 42 HB2 LEU 42 -8.855 7.350 6.192 190 HG LEU 42 HG LEU 42 -8.773 9.755 7.403 191 HD11 LEU 42 HD11 LEU 42 -11.350 9.683 6.303 192 HD12 LEU 42 HD12 LEU 42 -10.711 10.826 7.483 193 HD13 LEU 42 HD13 LEU 42 -11.544 9.370 8.028 194 HD21 LEU 42 HD21 LEU 42 -10.054 8.489 9.297 195 HD22 LEU 42 HD22 LEU 42 -8.478 7.915 8.751 196 HD23 LEU 42 HD23 LEU 42 -9.950 7.126 8.182 197 H SER 43 H SER 43 -7.353 7.153 3.662 198 HA SER 43 HA SER 43 -4.673 7.994 4.137 199 HB2 SER 43 HB1 SER 43 -5.774 6.671 6.288 200 HB3 SER 43 HB2 SER 43 -4.977 5.361 5.399 201 HG SER 43 HG SER 43 -3.639 6.519 6.967 202 H ASP 44 H ASP 44 -3.223 5.796 3.754 203 HA ASP 44 HA ASP 44 -3.638 5.177 1.036 204 HB2 ASP 44 HB1 ASP 44 -1.834 3.430 1.450 205 HB3 ASP 44 HB2 ASP 44 -1.405 5.103 1.828 206 HD2 ASP 44 HD ASP 44 -0.651 4.244 5.039 207 H THR 45 H THR 45 -4.656 3.635 3.979 208 HA THR 45 HA THR 45 -5.169 1.049 3.070 209 HB THR 45 HB THR 45 -7.246 1.870 4.882 210 HG1 THR 45 HG1 THR 45 -6.190 3.424 5.869 211 HG21 THR 45 HG21 THR 45 -4.970 -0.018 4.783 212 HG22 THR 45 HG22 THR 45 -6.657 -0.298 5.215 213 HG23 THR 45 HG23 THR 45 -5.554 0.424 6.386 214 H ASP 46 H ASP 46 -6.838 4.017 2.464 215 HA ASP 46 HA ASP 46 -9.352 2.933 1.723 216 HB2 ASP 46 HB1 ASP 46 -8.824 5.358 2.298 217 HB3 ASP 46 HB2 ASP 46 -8.159 5.496 0.666 218 HD2 ASP 46 HD ASP 46 -11.370 6.406 -0.194 219 H CYS 47 H CYS 47 -6.320 3.344 0.060 220 HA CYS 47 HA CYS 47 -7.495 2.741 -2.532 221 HB2 CYS 47 HB1 CYS 47 -4.799 3.594 -1.555 222 HB3 CYS 47 HB2 CYS 47 -4.909 2.770 -3.110 223 H ASN 48 H ASN 48 -7.178 0.866 -3.681 224 HA ASN 48 HA ASN 48 -6.458 -1.461 -2.096 225 HB2 ASN 48 HB1 ASN 48 -7.621 -1.185 -4.882 226 HB3 ASN 48 HB2 ASN 48 -7.298 -2.730 -4.086 227 HD21 ASN 48 HD21 ASN 48 -8.509 -3.316 -2.251 228 HD22 ASN 48 HD22 ASN 48 -10.053 -2.608 -1.936 229 H THR 49 H THR 49 -5.210 -3.230 -3.271 230 HA THR 49 HA THR 49 -3.225 -3.976 -4.101 231 HB THR 49 HB THR 49 -2.743 -1.787 -5.982 232 HG1 THR 49 HG1 THR 49 -4.634 -1.901 -7.068 233 HG21 THR 49 HG21 THR 49 -2.158 -3.486 -7.373 234 HG22 THR 49 HG22 THR 49 -3.498 -4.512 -6.861 235 HG23 THR 49 HG23 THR 49 -2.057 -4.376 -5.855 236 H ARG 50 H ARG 50 -0.907 -2.992 -4.862 237 HA ARG 50 HA ARG 50 0.072 -1.674 -2.503 238 HB2 ARG 50 HB1 ARG 50 1.545 -2.411 -5.043 239 HB3 ARG 50 HB2 ARG 50 2.278 -1.978 -3.492 240 HG2 ARG 50 HG1 ARG 50 2.428 -4.223 -3.281 241 HG3 ARG 50 HG2 ARG 50 0.776 -4.022 -2.672 242 HD2 ARG 50 HD1 ARG 50 -0.057 -5.248 -4.339 243 HD3 ARG 50 HD2 ARG 50 0.736 -4.212 -5.533 244 HE ARG 50 HE ARG 50 2.751 -5.795 -4.655 245 HH11 ARG 50 HH11 ARG 50 -0.439 -6.427 -5.899 246 HH12 ARG 50 HH12 ARG 50 -0.006 -7.952 -6.598 247 HH21 ARG 50 HH21 ARG 50 3.334 -7.801 -5.572 248 HH22 ARG 50 HH22 ARG 50 2.140 -8.733 -6.411 249 H LYS 51 H LYS 51 -1.349 0.257 -2.999 250 HA LYS 51 HA LYS 51 0.258 2.227 -4.464 251 HB2 LYS 51 HB1 LYS 51 -2.742 1.885 -4.678 252 HB3 LYS 51 HB2 LYS 51 -1.835 3.259 -5.329 253 HG2 LYS 51 HG1 LYS 51 -1.073 2.106 -7.108 254 HG3 LYS 51 HG2 LYS 51 -0.889 0.607 -6.180 255 HD2 LYS 51 HD1 LYS 51 -2.622 0.060 -7.613 256 HD3 LYS 51 HD2 LYS 51 -3.493 0.605 -6.169 257 HE2 LYS 51 HE1 LYS 51 -3.369 2.956 -7.352 258 HE3 LYS 51 HE2 LYS 51 -3.148 1.965 -8.802 259 HZ1 LYS 51 HZ1 LYS 51 -5.308 1.081 -7.118 260 HZ2 LYS 51 HZ2 LYS 51 -5.276 1.340 -8.789 261 HZ3 LYS 51 HZ3 LYS 51 -5.532 2.639 -7.736 262 H PHE 52 H PHE 52 -0.420 4.499 -3.909 263 HA PHE 52 HA PHE 52 -1.330 4.646 -1.111 264 HB2 PHE 52 HB1 PHE 52 0.219 6.546 -0.795 265 HB3 PHE 52 HB2 PHE 52 1.064 5.049 -1.193 266 HD1 PHE 52 HD1 PHE 52 2.245 4.776 -3.265 267 HD2 PHE 52 HD2 PHE 52 0.102 8.358 -2.434 268 HE1 PHE 52 HE1 PHE 52 3.383 5.888 -5.141 269 HE2 PHE 52 HE2 PHE 52 1.236 9.475 -4.310 270 HZ PHE 52 HZ PHE 52 2.878 8.240 -5.666 271 H CYS 53 H CYS 53 -1.938 7.006 -0.546 272 HA CYS 53 HA CYS 53 -3.644 8.019 -2.722 273 HB2 CYS 53 HB1 CYS 53 -4.471 7.138 -0.314 274 HB3 CYS 53 HB2 CYS 53 -4.176 8.832 0.082 275 H LEU 54 H LEU 54 -2.741 9.727 -3.668 276 HA LEU 54 HA LEU 54 -1.051 11.539 -2.138 277 HB2 LEU 54 HB1 LEU 54 -0.205 10.850 -4.277 278 HB3 LEU 54 HB2 LEU 54 -1.707 11.347 -5.071 279 HG LEU 54 HG LEU 54 -0.707 13.652 -3.815 280 HD11 LEU 54 HD11 LEU 54 1.517 13.737 -4.054 281 HD12 LEU 54 HD12 LEU 54 1.490 12.845 -5.574 282 HD13 LEU 54 HD13 LEU 54 1.426 11.976 -4.041 283 HD21 LEU 54 HD21 LEU 54 -0.499 12.851 -6.714 284 HD22 LEU 54 HD22 LEU 54 -0.554 14.487 -6.060 285 HD23 LEU 54 HD23 LEU 54 -1.972 13.444 -5.945 286 H GLN 55 H GLN 55 -1.589 13.565 -1.553 287 HA GLN 55 HA GLN 55 -4.160 14.636 -2.507 288 HB2 GLN 55 HB1 GLN 55 -4.388 15.669 -0.202 289 HB3 GLN 55 HB2 GLN 55 -4.617 13.915 -0.300 290 HG2 GLN 55 HG1 GLN 55 -2.977 13.532 1.139 291 HG3 GLN 55 HG2 GLN 55 -1.858 14.539 0.208 292 HE21 GLN 55 HE21 GLN 55 -1.563 16.680 0.766 293 HE22 GLN 55 HE22 GLN 55 -2.120 17.337 2.264 294 HA PRO 56 HA PRO 56 -0.933 17.747 -3.451 295 HB2 PRO 56 HB1 PRO 56 -2.185 18.673 -5.704 296 HB3 PRO 56 HB2 PRO 56 -1.141 17.253 -5.685 297 HG2 PRO 56 HG1 PRO 56 -4.132 17.416 -5.537 298 HG3 PRO 56 HG2 PRO 56 -3.097 16.323 -6.530 299 HD2 PRO 56 HD1 PRO 56 -4.301 15.516 -4.235 300 HD3 PRO 56 HD2 PRO 56 -2.721 14.905 -4.754 301 H ARG 57 H ARG 57 -1.035 20.060 -3.468 302 HA ARG 57 HA ARG 57 -3.217 21.087 -1.875 303 HB2 ARG 57 HB1 ARG 57 -0.549 22.111 -2.768 304 HB3 ARG 57 HB2 ARG 57 -1.767 23.259 -2.194 305 HG2 ARG 57 HG1 ARG 57 -1.661 21.118 -0.331 306 HG3 ARG 57 HG2 ARG 57 -0.004 21.645 -0.671 307 HD2 ARG 57 HD1 ARG 57 -0.466 23.883 -0.026 308 HD3 ARG 57 HD2 ARG 57 -2.210 23.583 -0.020 309 HE ARG 57 HE ARG 57 -0.350 23.007 2.090 310 HH11 ARG 57 HH11 ARG 57 -3.417 22.159 0.678 311 HH12 ARG 57 HH12 ARG 57 -4.064 21.514 2.149 312 HH21 ARG 57 HH21 ARG 57 -1.192 22.161 4.035 313 HH22 ARG 57 HH22 ARG 57 -2.798 21.517 4.059 314 H ASP 58 H ASP 58 -1.812 21.733 -5.071 315 HA ASP 58 HA ASP 58 -3.786 23.698 -5.744 316 HB2 ASP 58 HB1 ASP 58 -1.596 22.293 -7.255 317 HB3 ASP 58 HB2 ASP 58 -2.783 23.291 -8.107 318 HD2 ASP 58 HD ASP 58 -1.386 26.228 -6.946 319 H GLU 59 H GLU 59 -3.554 20.266 -5.951 320 HA GLU 59 HA GLU 59 -5.976 20.193 -7.628 321 HB2 GLU 59 HB1 GLU 59 -3.503 18.693 -7.728 322 HB3 GLU 59 HB2 GLU 59 -4.889 17.610 -7.529 323 HG2 GLU 59 HG1 GLU 59 -4.886 19.757 -9.626 324 HG3 GLU 59 HG2 GLU 59 -4.120 18.187 -9.904 325 HE2 GLU 59 HE GLU 59 -7.170 16.963 -10.841 326 H LYS 60 H LYS 60 -7.051 17.847 -7.193 327 HA LYS 60 HA LYS 60 -7.735 17.904 -4.344 328 HB2 LYS 60 HB1 LYS 60 -9.702 16.498 -5.088 329 HB3 LYS 60 HB2 LYS 60 -9.657 18.152 -5.718 330 HG2 LYS 60 HG1 LYS 60 -9.676 17.437 -7.817 331 HG3 LYS 60 HG2 LYS 60 -8.298 16.364 -7.511 332 HD2 LYS 60 HD1 LYS 60 -9.754 14.621 -6.691 333 HD3 LYS 60 HD2 LYS 60 -11.154 15.700 -6.804 334 HE2 LYS 60 HE1 LYS 60 -9.599 15.358 -9.298 335 HE3 LYS 60 HE2 LYS 60 -10.458 13.924 -8.717 336 HZ1 LYS 60 HZ1 LYS 60 -11.531 15.993 -10.157 337 HZ2 LYS 60 HZ2 LYS 60 -12.103 16.246 -8.586 338 HZ3 LYS 60 HZ3 LYS 60 -12.390 14.772 -9.362 339 HA PRO 61 HA PRO 61 -5.883 14.027 -3.450 340 HB2 PRO 61 HB1 PRO 61 -7.636 12.993 -1.617 341 HB3 PRO 61 HB2 PRO 61 -6.549 14.338 -1.273 342 HG2 PRO 61 HG1 PRO 61 -9.441 14.384 -2.068 343 HG3 PRO 61 HG2 PRO 61 -8.600 15.317 -0.775 344 HD2 PRO 61 HD1 PRO 61 -9.236 16.398 -3.183 345 HD3 PRO 61 HD2 PRO 61 -7.780 16.857 -2.282 346 H PHE 62 H PHE 62 -5.842 12.001 -4.263 347 HA PHE 62 HA PHE 62 -8.236 10.541 -4.882 348 HB2 PHE 62 HB1 PHE 62 -7.998 10.405 -7.256 349 HB3 PHE 62 HB2 PHE 62 -7.992 12.116 -6.827 350 HD1 PHE 62 HD1 PHE 62 -5.839 13.375 -6.764 351 HD2 PHE 62 HD2 PHE 62 -6.133 9.434 -8.343 352 HE1 PHE 62 HE1 PHE 62 -3.700 13.691 -7.939 353 HE2 PHE 62 HE2 PHE 62 -3.994 9.742 -9.518 354 HZ PHE 62 HZ PHE 62 -2.774 11.872 -9.317 355 H CYS 63 H CYS 63 -7.497 8.524 -6.326 356 HA CYS 63 HA CYS 63 -5.394 7.269 -4.777 357 HB2 CYS 63 HB1 CYS 63 -7.710 6.283 -5.573 358 HB3 CYS 63 HB2 CYS 63 -6.797 5.893 -7.032 359 H ALA 64 H ALA 64 -3.343 7.289 -5.383 360 HA ALA 64 HA ALA 64 -2.699 7.724 -8.216 361 HB1 ALA 64 HB1 ALA 64 -0.512 8.461 -7.459 362 HB2 ALA 64 HB2 ALA 64 -1.784 9.354 -6.624 363 HB3 ALA 64 HB3 ALA 64 -0.931 8.053 -5.795 364 H THR 65 H THR 65 -0.452 6.707 -8.781 365 HA THR 65 HA THR 65 -0.687 3.848 -8.178 366 HB THR 65 HB THR 65 1.125 3.846 -10.136 367 HG1 THR 65 HG1 THR 65 -0.444 6.146 -10.738 368 HG21 THR 65 HG21 THR 65 -0.544 3.058 -11.478 369 HG22 THR 65 HG22 THR 65 -1.639 4.383 -11.080 370 HG23 THR 65 HG23 THR 65 -1.412 3.054 -9.944 371 H CYS 66 H CYS 66 1.492 2.652 -8.249 372 HA CYS 66 HA CYS 66 3.057 3.557 -6.073 373 HB2 CYS 66 HB1 CYS 66 2.641 1.144 -7.240 374 HB3 CYS 66 HB2 CYS 66 4.239 1.534 -7.880 375 H ARG 67 H ARG 67 5.289 4.122 -6.039 376 HA ARG 67 HA ARG 67 6.136 5.536 -8.473 377 HB2 ARG 67 HB1 ARG 67 6.885 5.956 -5.571 378 HB3 ARG 67 HB2 ARG 67 7.607 6.838 -6.925 379 HG2 ARG 67 HG1 ARG 67 4.707 6.952 -6.998 380 HG3 ARG 67 HG2 ARG 67 5.369 7.579 -5.479 381 HD2 ARG 67 HD1 ARG 67 6.892 9.046 -6.764 382 HD3 ARG 67 HD2 ARG 67 6.160 8.447 -8.258 383 HE ARG 67 HE ARG 67 5.069 10.400 -6.470 384 HH11 ARG 67 HH11 ARG 67 4.289 7.959 -8.825 385 HH12 ARG 67 HH12 ARG 67 2.768 8.671 -9.252 386 HH21 ARG 67 HH21 ARG 67 3.070 11.348 -7.023 387 HH22 ARG 67 HH22 ARG 67 2.076 10.601 -8.227 388 H GLY 68 H GLY 68 7.639 4.538 -9.633 389 HA2 GLY 68 HA2 GLY 68 9.093 2.293 -8.801 390 HA3 GLY 68 HA3 GLY 68 9.474 3.283 -10.203 391 HA1 GLY 68 HA1 GLY 68 9.023 2.897 -8.162 392 H LEU 69 H LEU 69 11.621 2.327 -9.156 393 HA LEU 69 HA LEU 69 12.723 3.591 -6.905 394 HB2 LEU 69 HB1 LEU 69 13.824 2.120 -9.260 395 HB3 LEU 69 HB2 LEU 69 14.935 3.009 -8.204 396 HG LEU 69 HG LEU 69 13.088 0.785 -7.335 397 HD11 LEU 69 HD11 LEU 69 15.676 0.008 -6.862 398 HD12 LEU 69 HD12 LEU 69 15.790 0.821 -8.423 399 HD13 LEU 69 HD13 LEU 69 14.668 -0.523 -8.209 400 HD21 LEU 69 HD21 LEU 69 15.090 2.471 -5.851 401 HD22 LEU 69 HD22 LEU 69 14.502 0.921 -5.249 402 HD23 LEU 69 HD23 LEU 69 13.375 2.255 -5.500 403 H ARG 70 H ARG 70 13.400 4.235 -10.352 404 HA ARG 70 HA ARG 70 14.928 6.528 -9.979 405 HB2 ARG 70 HB1 ARG 70 13.229 5.535 -12.254 406 HB3 ARG 70 HB2 ARG 70 14.045 7.103 -12.352 407 HG2 ARG 70 HG1 ARG 70 15.890 6.091 -13.034 408 HG3 ARG 70 HG2 ARG 70 15.973 5.245 -11.481 409 HD2 ARG 70 HD1 ARG 70 15.886 3.425 -12.855 410 HD3 ARG 70 HD2 ARG 70 14.152 3.705 -12.641 411 HE ARG 70 HE ARG 70 14.003 4.310 -14.849 412 HH11 ARG 70 HH11 ARG 70 17.349 4.250 -13.887 413 HH12 ARG 70 HH12 ARG 70 17.951 4.449 -15.500 414 HH21 ARG 70 HH21 ARG 70 14.784 4.573 -16.976 415 HH22 ARG 70 HH22 ARG 70 16.491 4.633 -17.255 416 H ARG 71 H ARG 71 11.503 6.072 -9.793 417 HA ARG 71 HA ARG 71 10.598 8.672 -10.275 418 HB2 ARG 71 HB1 ARG 71 9.515 6.222 -9.326 419 HB3 ARG 71 HB2 ARG 71 9.045 7.491 -8.185 420 HG2 ARG 71 HG1 ARG 71 8.555 7.510 -11.167 421 HG3 ARG 71 HG2 ARG 71 7.354 7.211 -9.898 422 HD2 ARG 71 HD1 ARG 71 7.726 9.472 -9.003 423 HD3 ARG 71 HD2 ARG 71 8.916 9.765 -10.280 424 HE ARG 71 HE ARG 71 6.072 9.894 -10.525 425 HH11 ARG 71 HH11 ARG 71 9.020 9.211 -12.248 426 HH12 ARG 71 HH12 ARG 71 8.361 9.612 -13.798 427 HH21 ARG 71 HH21 ARG 71 5.192 10.426 -12.562 428 HH22 ARG 71 HH22 ARG 71 6.184 10.304 -13.977 429 H ARG 72 H ARG 72 10.238 10.443 -8.962 430 HA ARG 72 HA ARG 72 11.984 10.637 -6.654 431 HB2 ARG 72 HB1 ARG 72 10.193 12.789 -7.788 432 HB3 ARG 72 HB2 ARG 72 11.623 12.995 -6.764 433 HG2 ARG 72 HG1 ARG 72 12.493 11.583 -9.037 434 HG3 ARG 72 HG2 ARG 72 11.444 12.887 -9.617 435 HD2 ARG 72 HD1 ARG 72 13.708 13.298 -7.656 436 HD3 ARG 72 HD2 ARG 72 13.860 13.505 -9.407 437 HE ARG 72 HE ARG 72 12.563 15.291 -7.554 438 HH11 ARG 72 HH11 ARG 72 12.836 14.280 -10.874 439 HH12 ARG 72 HH12 ARG 72 12.257 15.782 -11.516 440 HH21 ARG 72 HH21 ARG 72 11.799 17.272 -8.386 441 HH22 ARG 72 HH22 ARG 72 11.669 17.484 -10.099 442 H CYS 73 H CYS 73 11.245 11.567 -4.624 443 HA CYS 73 HA CYS 73 8.405 11.428 -4.045 444 HB2 CYS 73 HB1 CYS 73 8.821 9.893 -2.082 445 HB3 CYS 73 HB2 CYS 73 8.918 9.135 -3.672 446 H GLN 74 H GLN 74 7.944 12.104 -1.777 447 HA GLN 74 HA GLN 74 9.993 14.001 -0.837 448 HB2 GLN 74 HB1 GLN 74 7.953 15.047 -1.821 449 HB3 GLN 74 HB2 GLN 74 6.996 14.265 -0.552 450 HG2 GLN 74 HG1 GLN 74 7.704 15.681 1.075 451 HG3 GLN 74 HG2 GLN 74 9.287 15.918 0.322 452 HE21 GLN 74 HE21 GLN 74 5.978 16.386 -0.865 453 HE22 GLN 74 HE22 GLN 74 6.186 18.044 -1.301 454 H ARG 75 H ARG 75 7.784 11.469 0.008 455 HA ARG 75 HA ARG 75 8.801 11.557 2.768 456 HB2 ARG 75 HB1 ARG 75 5.983 11.108 1.798 457 HB3 ARG 75 HB2 ARG 75 6.524 10.520 3.377 458 HG2 ARG 75 HG1 ARG 75 6.134 12.507 4.270 459 HG3 ARG 75 HG2 ARG 75 7.306 13.233 3.159 460 HD2 ARG 75 HD1 ARG 75 5.172 12.918 1.502 461 HD3 ARG 75 HD2 ARG 75 4.366 13.205 3.052 462 HE ARG 75 HE ARG 75 6.414 15.114 2.648 463 HH11 ARG 75 HH11 ARG 75 3.217 14.256 1.571 464 HH12 ARG 75 HH12 ARG 75 2.782 15.878 1.148 465 HH21 ARG 75 HH21 ARG 75 5.854 17.255 2.096 466 HH22 ARG 75 HH22 ARG 75 4.284 17.584 1.447 467 H ASP 76 H ASP 76 8.241 9.343 3.872 468 HA ASP 76 HA ASP 76 9.582 7.332 2.321 469 HB2 ASP 76 HB1 ASP 76 10.188 7.325 4.586 470 HB3 ASP 76 HB2 ASP 76 8.508 7.461 5.126 471 HD2 ASP 76 HD ASP 76 8.440 4.076 5.546 472 H ALA 77 H ALA 77 6.296 7.994 3.319 473 HA ALA 77 HA ALA 77 5.257 5.431 2.578 474 HB1 ALA 77 HB1 ALA 77 4.260 7.835 3.799 475 HB2 ALA 77 HB2 ALA 77 3.154 7.275 2.544 476 HB3 ALA 77 HB3 ALA 77 3.613 6.195 3.861 477 H MET 78 H MET 78 5.722 8.504 0.969 478 HA MET 78 HA MET 78 4.032 8.143 -1.228 479 HB2 MET 78 HB1 MET 78 6.466 9.771 -0.667 480 HB3 MET 78 HB2 MET 78 5.953 9.606 -2.353 481 HG2 MET 78 HG1 MET 78 4.063 10.495 -0.186 482 HG3 MET 78 HG2 MET 78 5.097 11.620 -1.071 483 HE1 MET 78 HE1 MET 78 4.190 12.681 -3.568 484 HE2 MET 78 HE2 MET 78 5.352 11.358 -3.638 485 HE3 MET 78 HE3 MET 78 3.939 11.347 -4.693 486 H CYS 79 H CYS 79 7.099 6.732 -0.456 487 HA CYS 79 HA CYS 79 7.642 5.840 -3.148 488 HB2 CYS 79 HB1 CYS 79 9.355 6.398 -1.291 489 HB3 CYS 79 HB2 CYS 79 8.987 4.787 -0.672 490 H CYS 80 H CYS 80 7.883 3.557 -3.695 491 HA CYS 80 HA CYS 80 5.568 2.078 -3.187 492 HB2 CYS 80 HB1 CYS 80 8.219 1.483 -4.438 493 HB3 CYS 80 HB2 CYS 80 7.134 0.137 -4.083 494 HA PRO 81 HA PRO 81 6.259 -0.126 0.542 495 HB2 PRO 81 HB1 PRO 81 5.221 -2.596 -0.031 496 HB3 PRO 81 HB2 PRO 81 4.233 -1.153 0.199 497 HG2 PRO 81 HG1 PRO 81 5.197 -2.412 -2.347 498 HG3 PRO 81 HG2 PRO 81 3.557 -1.791 -1.932 499 HD2 PRO 81 HD1 PRO 81 5.312 -0.390 -3.456 500 HD3 PRO 81 HD2 PRO 81 4.172 0.392 -2.347 501 H GLY 82 H GLY 82 8.207 -0.716 1.260 502 HA2 GLY 82 HA2 GLY 82 9.710 -2.617 1.578 503 HA3 GLY 82 HA3 GLY 82 9.598 -2.906 -0.151 504 HA1 GLY 82 HA1 GLY 82 9.658 -1.738 1.624 505 H THR 83 H THR 83 9.725 0.198 -0.342 506 HA THR 83 HA THR 83 12.664 0.345 -0.160 507 HB THR 83 HB THR 83 12.316 2.190 -1.972 508 HG1 THR 83 HG1 THR 83 10.137 0.603 -2.758 509 HG21 THR 83 HG21 THR 83 12.811 -0.611 -2.074 510 HG22 THR 83 HG22 THR 83 13.373 0.646 -3.178 511 HG23 THR 83 HG23 THR 83 11.839 -0.171 -3.479 512 H LEU 84 H LEU 84 13.403 2.746 -0.187 513 HA LEU 84 HA LEU 84 11.677 4.312 1.612 514 HB2 LEU 84 HB1 LEU 84 13.948 3.072 2.426 515 HB3 LEU 84 HB2 LEU 84 14.585 4.645 1.915 516 HG LEU 84 HG LEU 84 12.835 5.681 3.449 517 HD11 LEU 84 HD11 LEU 84 12.841 3.062 4.877 518 HD12 LEU 84 HD12 LEU 84 11.664 3.357 3.597 519 HD13 LEU 84 HD13 LEU 84 11.716 4.414 5.008 520 HD21 LEU 84 HD21 LEU 84 14.531 4.250 5.305 521 HD22 LEU 84 HD22 LEU 84 14.528 5.958 4.866 522 HD23 LEU 84 HD23 LEU 84 15.429 4.799 3.888 523 H CYS 85 H CYS 85 12.227 6.641 1.658 524 HA CYS 85 HA CYS 85 12.807 7.558 -1.053 525 HB2 CYS 85 HB1 CYS 85 10.751 8.285 0.256 526 HB3 CYS 85 HB2 CYS 85 11.845 9.226 1.272 527 H VAL 86 H VAL 86 14.984 7.632 -1.312 528 HA VAL 86 HA VAL 86 16.556 9.117 0.684 529 HB VAL 86 HB VAL 86 17.538 7.241 -1.472 530 HG11 VAL 86 HG11 VAL 86 19.539 7.498 0.373 531 HG12 VAL 86 HG12 VAL 86 19.454 8.360 -1.164 532 HG13 VAL 86 HG13 VAL 86 18.877 9.131 0.313 533 HG21 VAL 86 HG21 VAL 86 17.164 6.858 1.493 534 HG22 VAL 86 HG22 VAL 86 16.380 5.969 0.188 535 HG23 VAL 86 HG23 VAL 86 18.109 5.774 0.473 536 H ASN 87 H ASN 87 17.377 11.045 0.180 537 HA ASN 87 HA ASN 87 17.823 12.952 -0.980 538 HB2 ASN 87 HB1 ASN 87 18.629 10.868 -3.022 539 HB3 ASN 87 HB2 ASN 87 18.924 12.598 -3.234 540 HD21 ASN 87 HD21 ASN 87 21.068 11.069 -3.304 541 HD22 ASN 87 HD22 ASN 87 21.998 11.200 -1.854 542 H ASP 88 H ASP 88 15.132 12.148 -1.006 543 HA ASP 88 HA ASP 88 13.153 12.687 -1.990 544 HB2 ASP 88 HB1 ASP 88 14.771 14.775 -2.554 545 HB3 ASP 88 HB2 ASP 88 14.398 14.229 -4.194 546 HD2 ASP 88 HD ASP 88 11.593 16.041 -2.130 547 H VAL 89 H VAL 89 14.808 10.399 -2.916 548 HA VAL 89 HA VAL 89 13.296 9.863 -5.360 549 HB VAL 89 HB VAL 89 16.277 9.411 -5.148 550 HG11 VAL 89 HG11 VAL 89 14.363 8.785 -7.393 551 HG12 VAL 89 HG12 VAL 89 16.115 8.592 -7.447 552 HG13 VAL 89 HG13 VAL 89 15.152 7.607 -6.345 553 HG21 VAL 89 HG21 VAL 89 15.598 11.762 -5.559 554 HG22 VAL 89 HG22 VAL 89 16.500 11.050 -6.896 555 HG23 VAL 89 HG23 VAL 89 14.749 11.226 -7.010 556 H CYS 90 H CYS 90 12.657 7.766 -5.583 557 HA CYS 90 HA CYS 90 12.608 6.117 -3.307 558 HB2 CYS 90 HB1 CYS 90 11.790 5.852 -6.159 559 HB3 CYS 90 HB2 CYS 90 11.954 4.365 -5.225 560 H THR 91 H THR 91 14.192 4.947 -2.474 561 HA THR 91 HA THR 91 16.128 3.682 -4.297 562 HB THR 91 HB THR 91 16.766 4.928 -1.616 563 HG1 THR 91 HG1 THR 91 17.594 5.657 -4.248 564 HG21 THR 91 HG21 THR 91 18.110 2.949 -1.962 565 HG22 THR 91 HG22 THR 91 19.113 4.378 -2.216 566 HG23 THR 91 HG23 THR 91 18.512 3.466 -3.599 567 H THR 92 H THR 92 16.846 1.635 -3.744 568 HA THR 92 HA THR 92 15.067 -0.012 -2.329 569 HB THR 92 HB THR 92 17.377 -1.485 -2.360 570 HG1 THR 92 HG1 THR 92 18.289 -0.916 -4.472 571 HG21 THR 92 HG21 THR 92 16.521 -2.216 -4.678 572 HG22 THR 92 HG22 THR 92 15.232 -1.042 -4.413 573 HG23 THR 92 HG23 THR 92 15.437 -2.393 -3.299 574 H MET 93 H MET 93 15.083 -0.873 -0.296 575 HA MET 93 HA MET 93 16.267 0.588 1.784 576 HB2 MET 93 HB1 MET 93 14.294 -1.301 1.601 577 HB3 MET 93 HB2 MET 93 15.581 -2.197 2.426 578 HG2 MET 93 HG1 MET 93 15.492 0.274 3.723 579 HG3 MET 93 HG2 MET 93 13.806 -0.172 3.448 580 HE1 MET 93 HE1 MET 93 14.199 -1.232 7.154 581 HE2 MET 93 HE2 MET 93 14.612 0.239 6.275 582 HE3 MET 93 HE3 MET 93 13.072 -0.567 5.972 583 H GLU 94 H GLU 94 17.400 -2.118 -0.070 584 HA GLU 94 HA GLU 94 19.462 -2.885 1.775 585 HB2 GLU 94 HB1 GLU 94 18.575 -3.701 -0.937 586 HB3 GLU 94 HB2 GLU 94 20.276 -3.990 -0.541 587 HG2 GLU 94 HG1 GLU 94 18.829 -4.885 1.686 588 HG3 GLU 94 HG2 GLU 94 17.942 -5.453 0.266 589 HE2 GLU 94 HE GLU 94 20.180 -8.062 0.247 590 H ASP 95 H ASP 95 19.165 -0.686 -0.907 591 HA ASP 95 HA ASP 95 21.973 -0.314 -1.310 592 HB2 ASP 95 HB1 ASP 95 19.481 0.716 -2.439 593 HB3 ASP 95 HB2 ASP 95 20.732 1.958 -2.297 594 HD2 ASP 95 HD ASP 95 21.688 -1.139 -4.600 595 H ALA 96 H ALA 96 19.436 1.497 0.380 596 HA ALA 96 HA ALA 96 20.986 3.681 1.184 597 HB1 ALA 96 HB1 ALA 96 19.052 3.007 3.198 598 HB2 ALA 96 HB2 ALA 96 19.052 4.345 2.049 599 HB3 ALA 96 HB3 ALA 96 18.363 2.788 1.590 600 H THR 97 H THR 97 22.408 4.023 2.796 601 HA THR 97 HA THR 97 23.734 3.665 4.622 602 HB THR 97 HB THR 97 22.182 1.188 5.324 603 HG1 THR 97 HG1 THR 97 20.469 2.357 5.720 604 HG21 THR 97 HG21 THR 97 23.111 1.406 7.369 605 HG22 THR 97 HG22 THR 97 22.969 3.164 7.358 606 HG23 THR 97 HG23 THR 97 24.308 2.382 6.518 607 H GLU 98 H GLU 98 22.782 0.356 3.684 608 HA GLU 98 HA GLU 98 23.992 -1.424 2.948 609 HB2 GLU 98 HB1 GLU 98 24.811 0.673 1.406 610 HB3 GLU 98 HB2 GLU 98 26.347 0.126 2.098 611 HG2 GLU 98 HG1 GLU 98 25.107 -2.223 1.307 612 HG3 GLU 98 HG2 GLU 98 24.720 -1.069 0.025 613 HE2 GLU 98 HE GLU 98 27.809 -1.788 -1.277 614 H ASN 99 H ASN 99 24.344 -0.371 5.654 615 HA ASN 99 HA ASN 99 27.047 -0.499 6.450 616 HB2 ASN 99 HB1 ASN 99 24.680 0.148 7.678 617 HB3 ASN 99 HB2 ASN 99 25.081 -1.393 8.443 618 HD21 ASN 99 HD21 ASN 99 25.537 -0.522 10.428 619 HD22 ASN 99 HD22 ASN 99 26.929 0.456 10.729 620 H LEU 100 H LEU 100 28.209 -2.163 7.468 621 HA LEU 100 HA LEU 100 27.635 -4.791 6.442 622 HB2 LEU 100 HB1 LEU 100 29.832 -3.977 8.347 623 HB3 LEU 100 HB2 LEU 100 29.769 -5.421 7.323 624 HG LEU 100 HG LEU 100 29.830 -2.671 6.123 625 HD11 LEU 100 HD11 LEU 100 32.136 -4.316 7.128 626 HD12 LEU 100 HD12 LEU 100 31.752 -2.633 7.488 627 HD13 LEU 100 HD13 LEU 100 32.313 -3.084 5.878 628 HD21 LEU 100 HD21 LEU 100 29.522 -5.213 5.069 629 HD22 LEU 100 HD22 LEU 100 31.221 -4.835 4.786 630 HD23 LEU 100 HD23 LEU 100 29.964 -3.754 4.181 631 H TYR 101 H TYR 101 27.272 -6.669 7.645 632 HA TYR 101 HA TYR 101 25.569 -6.392 9.870 633 HB2 TYR 101 HB1 TYR 101 27.054 -8.878 8.979 634 HB3 TYR 101 HB2 TYR 101 25.603 -8.823 9.984 635 HD1 TYR 101 HD1 TYR 101 26.813 -9.109 6.664 636 HD2 TYR 101 HD2 TYR 101 23.492 -7.729 8.938 637 HE1 TYR 101 HE1 TYR 101 25.396 -9.232 4.658 638 HE2 TYR 101 HE2 TYR 101 22.066 -7.850 6.938 639 HH TYR 101 HH TYR 101 22.097 -9.186 4.732 640 H PHE 102 H PHE 102 25.947 -7.610 11.964 641 HA PHE 102 HA PHE 102 28.710 -7.582 12.883 642 HB2 PHE 102 HB1 PHE 102 28.350 -6.092 14.710 643 HB3 PHE 102 HB2 PHE 102 27.763 -5.278 13.259 644 HD1 PHE 102 HD1 PHE 102 25.308 -5.188 12.793 645 HD2 PHE 102 HD2 PHE 102 26.886 -6.527 16.513 646 HE1 PHE 102 HE1 PHE 102 23.114 -4.830 13.849 647 HE2 PHE 102 HE2 PHE 102 24.695 -6.171 17.574 648 HZ PHE 102 HZ PHE 102 22.805 -5.324 16.241 649 H GLN 103 H GLN 103 29.053 -8.757 14.818 650 HA GLN 103 HA GLN 103 26.760 -10.387 15.687 651 HB2 GLN 103 HB1 GLN 103 28.201 -12.326 15.878 652 HB3 GLN 103 HB2 GLN 103 28.280 -11.683 14.229 653 HG2 GLN 103 HG1 GLN 103 30.321 -10.982 16.324 654 HG3 GLN 103 HG2 GLN 103 30.463 -12.410 15.288 655 HE21 GLN 103 HE21 GLN 103 32.338 -10.354 15.321 656 HE22 GLN 103 HE22 GLN 103 32.317 -9.559 13.787 657 H SER 104 H SER 104 27.171 -11.461 17.835 658 HA SER 104 HA SER 104 29.103 -10.307 19.599 659 HB2 SER 104 HB1 SER 104 26.928 -8.695 19.218 660 HB3 SER 104 HB2 SER 104 26.409 -9.661 20.611 661 HG SER 104 HG SER 104 28.593 -7.907 20.385 662 H LEU 105 H LEU 105 28.938 -11.165 21.788 663 HA LEU 105 HA LEU 105 27.267 -13.582 21.962 664 HB2 LEU 105 HB1 LEU 105 30.146 -13.305 22.840 665 HB3 LEU 105 HB2 LEU 105 29.119 -14.727 23.088 666 HG LEU 105 HG LEU 105 29.811 -13.686 20.350 667 HD11 LEU 105 HD11 LEU 105 31.884 -14.217 21.526 668 HD12 LEU 105 HD12 LEU 105 31.546 -15.394 20.257 669 HD13 LEU 105 HD13 LEU 105 31.243 -15.807 21.945 670 HD21 LEU 105 HD21 LEU 105 29.013 -16.457 21.202 671 HD22 LEU 105 HD22 LEU 105 29.052 -15.779 19.573 672 HD23 LEU 105 HD23 LEU 105 27.838 -15.230 20.730 673 H GLU 106 H GLU 106 27.159 -14.416 24.268 674 HA GLU 106 HA GLU 106 27.515 -12.425 26.338 675 HB2 GLU 106 HB1 GLU 106 25.161 -12.434 27.039 676 HB3 GLU 106 HB2 GLU 106 25.362 -11.760 25.414 677 HG2 GLU 106 HG1 GLU 106 24.902 -14.569 25.189 678 HG3 GLU 106 HG2 GLU 106 23.668 -13.856 26.239 679 HE2 GLU 106 HE GLU 106 23.247 -13.366 22.451 680 H HIS 107 H HIS 107 27.126 -13.271 28.482 681 HA HIS 107 HA HIS 107 26.366 -15.915 29.022 682 HB2 HIS 107 HB1 HIS 107 28.961 -15.714 27.918 683 HB3 HIS 107 HB2 HIS 107 29.172 -16.046 29.640 684 HD1 HIS 107 HD1 HIS 107 29.126 -17.874 26.715 685 HD2 HIS 107 HD2 HIS 107 27.055 -18.283 30.293 686 HE1 HIS 107 HE1 HIS 107 28.392 -20.277 26.795 687 HE2 HIS 107 HE2 HIS 107 27.126 -20.528 28.983 688 H HIS 108 H HIS 108 25.954 -16.095 31.145 689 HA HIS 108 HA HIS 108 26.921 -13.946 32.891 690 HB2 HIS 108 HB1 HIS 108 24.395 -15.219 32.545 691 HB3 HIS 108 HB2 HIS 108 24.962 -15.582 34.178 692 HD1 HIS 108 HD1 HIS 108 24.130 -12.630 31.979 693 HD2 HIS 108 HD2 HIS 108 24.825 -13.509 35.980 694 HE1 HIS 108 HE1 HIS 108 23.518 -10.544 33.242 695 HE2 HIS 108 HE2 HIS 108 23.941 -11.078 35.687 696 H HIS 109 H HIS 109 27.045 -14.717 35.297 697 HA HIS 109 HA HIS 109 27.863 -17.358 35.861 698 HB2 HIS 109 HB1 HIS 109 29.781 -16.409 34.409 699 HB3 HIS 109 HB2 HIS 109 30.190 -15.451 35.838 700 HD1 HIS 109 HD1 HIS 109 32.083 -16.509 37.006 701 HD2 HIS 109 HD2 HIS 109 29.423 -19.335 35.524 702 HE1 HIS 109 HE1 HIS 109 32.990 -18.736 37.742 703 HE2 HIS 109 HE2 HIS 109 31.364 -20.464 36.838 704 H HIS 110 H HIS 110 26.461 -16.935 37.601 705 HA HIS 110 HA HIS 110 27.568 -15.140 39.661 706 HB2 HIS 110 HB1 HIS 110 25.082 -14.984 38.517 707 HB3 HIS 110 HB2 HIS 110 24.754 -15.956 39.955 708 HD1 HIS 110 HD1 HIS 110 24.370 -12.677 39.104 709 HD2 HIS 110 HD2 HIS 110 26.443 -14.476 42.223 710 HE1 HIS 110 HE1 HIS 110 24.596 -10.903 40.872 711 HE2 HIS 110 HE2 HIS 110 25.863 -12.002 42.779 712 H HIS 111 H HIS 111 28.512 -16.215 41.253 713 HA HIS 111 HA HIS 111 27.219 -18.621 42.311 714 HB2 HIS 111 HB1 HIS 111 29.419 -18.818 40.680 715 HB3 HIS 111 HB2 HIS 111 30.153 -18.781 42.286 716 HD1 HIS 111 HD1 HIS 111 29.124 -20.625 44.025 717 HD2 HIS 111 HD2 HIS 111 28.510 -21.288 39.969 718 HE1 HIS 111 HE1 HIS 111 28.531 -23.061 43.824 719 HE2 HIS 111 HE2 HIS 111 28.155 -23.467 41.346 720 H HIS 112 H HIS 112 27.798 -19.122 44.496 721 HA HIS 112 HA HIS 112 28.251 -16.766 46.076 722 HB2 HIS 112 HB1 HIS 112 27.714 -19.660 46.735 723 HB3 HIS 112 HB2 HIS 112 28.088 -18.476 47.991 724 HD1 HIS 112 HD1 HIS 112 25.753 -18.173 45.000 725 HD2 HIS 112 HD2 HIS 112 25.713 -17.899 49.144 726 HE1 HIS 112 HE1 HIS 112 23.420 -17.455 45.603 727 HE2 HIS 112 HE2 HIS 112 23.394 -17.287 48.136 Start of MODEL 50 1 H1 MET 18 H MET 18 -44.622 -15.138 -31.795 2 HA MET 18 HA MET 18 -44.707 -17.402 -32.319 3 HB2 MET 18 HB1 MET 18 -45.058 -16.584 -34.754 4 HB3 MET 18 HB2 MET 18 -43.322 -16.881 -34.933 5 HG2 MET 18 HG1 MET 18 -43.674 -19.044 -35.253 6 HG3 MET 18 HG2 MET 18 -44.505 -19.155 -33.699 7 HE1 MET 18 HE1 MET 18 -47.515 -19.912 -33.913 8 HE2 MET 18 HE2 MET 18 -47.097 -21.029 -35.213 9 HE3 MET 18 HE3 MET 18 -45.936 -20.698 -33.927 10 H LEU 19 H LEU 19 -41.863 -15.550 -33.343 11 HA LEU 19 HA LEU 19 -39.925 -17.515 -32.966 12 HB2 LEU 19 HB1 LEU 19 -39.753 -14.519 -32.610 13 HB3 LEU 19 HB2 LEU 19 -38.354 -15.606 -32.631 14 HG LEU 19 HG LEU 19 -40.085 -15.850 -34.983 15 HD11 LEU 19 HD11 LEU 19 -39.974 -13.318 -34.205 16 HD12 LEU 19 HD12 LEU 19 -39.864 -13.783 -35.902 17 HD13 LEU 19 HD13 LEU 19 -38.399 -13.410 -34.993 18 HD21 LEU 19 HD21 LEU 19 -38.171 -16.544 -35.892 19 HD22 LEU 19 HD22 LEU 19 -37.499 -16.487 -34.262 20 HD23 LEU 19 HD23 LEU 19 -37.299 -15.110 -35.346 21 H VAL 20 H VAL 20 -38.140 -17.243 -31.219 22 HA VAL 20 HA VAL 20 -39.448 -17.624 -28.656 23 HB VAL 20 HB VAL 20 -36.528 -17.911 -29.378 24 HG11 VAL 20 HG11 VAL 20 -38.110 -18.501 -26.905 25 HG12 VAL 20 HG12 VAL 20 -36.652 -19.421 -27.282 26 HG13 VAL 20 HG13 VAL 20 -36.562 -17.672 -27.068 27 HG21 VAL 20 HG21 VAL 20 -37.349 -20.425 -29.025 28 HG22 VAL 20 HG22 VAL 20 -38.857 -19.727 -29.617 29 HG23 VAL 20 HG23 VAL 20 -37.393 -19.623 -30.596 30 H LEU 21 H LEU 21 -39.346 -16.286 -26.943 31 HA LEU 21 HA LEU 21 -38.606 -13.591 -27.287 32 HB2 LEU 21 HB1 LEU 21 -39.094 -15.142 -24.737 33 HB3 LEU 21 HB2 LEU 21 -39.021 -13.376 -24.873 34 HG LEU 21 HG LEU 21 -40.982 -14.334 -26.706 35 HD11 LEU 21 HD11 LEU 21 -42.562 -15.338 -25.114 36 HD12 LEU 21 HD12 LEU 21 -41.290 -15.371 -23.893 37 HD13 LEU 21 HD13 LEU 21 -41.130 -16.338 -25.359 38 HD21 LEU 21 HD21 LEU 21 -40.875 -12.596 -24.281 39 HD22 LEU 21 HD22 LEU 21 -42.438 -13.043 -24.964 40 HD23 LEU 21 HD23 LEU 21 -41.259 -12.176 -25.950 41 H ASP 22 H ASP 22 -36.754 -12.528 -26.957 42 HA ASP 22 HA ASP 22 -34.431 -14.066 -26.077 43 HB2 ASP 22 HB1 ASP 22 -34.692 -11.381 -27.451 44 HB3 ASP 22 HB2 ASP 22 -33.150 -12.073 -26.931 45 HD2 ASP 22 HD ASP 22 -33.364 -14.583 -29.420 46 H PHE 23 H PHE 23 -33.938 -14.003 -23.994 47 HA PHE 23 HA PHE 23 -33.540 -13.251 -21.885 48 HB2 PHE 23 HB1 PHE 23 -32.723 -11.178 -23.611 49 HB3 PHE 23 HB2 PHE 23 -33.634 -10.396 -22.317 50 HD1 PHE 23 HD1 PHE 23 -31.028 -13.042 -22.689 51 HD2 PHE 23 HD2 PHE 23 -32.482 -9.724 -20.456 52 HE1 PHE 23 HE1 PHE 23 -29.077 -13.196 -21.197 53 HE2 PHE 23 HE2 PHE 23 -30.534 -9.872 -18.961 54 HZ PHE 23 HZ PHE 23 -28.827 -11.608 -19.331 55 H ASN 24 H ASN 24 -34.415 -11.540 -20.198 56 HA ASN 24 HA ASN 24 -37.237 -10.948 -20.674 57 HB2 ASN 24 HB1 ASN 24 -36.612 -13.279 -19.439 58 HB3 ASN 24 HB2 ASN 24 -36.673 -12.189 -18.047 59 HD21 ASN 24 HD21 ASN 24 -38.525 -12.823 -17.111 60 HD22 ASN 24 HD22 ASN 24 -40.079 -12.745 -17.862 61 H ASN 25 H ASN 25 -37.699 -8.973 -19.974 62 HA ASN 25 HA ASN 25 -35.835 -7.319 -18.697 63 HB2 ASN 25 HB1 ASN 25 -38.837 -7.034 -18.983 64 HB3 ASN 25 HB2 ASN 25 -37.770 -5.752 -18.401 65 HD21 ASN 25 HD21 ASN 25 -39.411 -5.527 -20.657 66 HD22 ASN 25 HD22 ASN 25 -38.402 -5.349 -22.047 67 H ILE 26 H ILE 26 -35.291 -7.058 -16.633 68 HA ILE 26 HA ILE 26 -37.086 -8.158 -14.569 69 HB ILE 26 HB ILE 26 -35.065 -9.506 -14.747 70 HG12 ILE 26 HG11 ILE 26 -34.834 -7.781 -12.278 71 HG13 ILE 26 HG12 ILE 26 -36.141 -8.955 -12.507 72 HG21 ILE 26 HG21 ILE 26 -33.526 -7.001 -14.092 73 HG22 ILE 26 HG22 ILE 26 -32.865 -8.609 -14.377 74 HG23 ILE 26 HG23 ILE 26 -33.629 -7.723 -15.697 75 HD11 ILE 26 HD11 ILE 26 -33.765 -9.487 -11.297 76 HD12 ILE 26 HD12 ILE 26 -34.838 -10.694 -12.005 77 HD13 ILE 26 HD13 ILE 26 -33.477 -10.070 -12.936 78 H ARG 27 H ARG 27 -34.933 -5.561 -15.505 79 HA ARG 27 HA ARG 27 -35.738 -4.056 -13.105 80 HB2 ARG 27 HB1 ARG 27 -33.767 -2.566 -13.736 81 HB3 ARG 27 HB2 ARG 27 -33.384 -4.183 -13.125 82 HG2 ARG 27 HG1 ARG 27 -33.010 -4.985 -15.398 83 HG3 ARG 27 HG2 ARG 27 -33.421 -3.380 -16.027 84 HD2 ARG 27 HD1 ARG 27 -31.059 -4.133 -14.298 85 HD3 ARG 27 HD2 ARG 27 -31.041 -3.546 -15.967 86 HE ARG 27 HE ARG 27 -32.270 -1.564 -14.518 87 HH11 ARG 27 HH11 ARG 27 -29.193 -3.189 -14.442 88 HH12 ARG 27 HH12 ARG 27 -28.339 -1.821 -13.808 89 HH21 ARG 27 HH21 ARG 27 -31.158 0.244 -13.682 90 HH22 ARG 27 HH22 ARG 27 -29.458 0.130 -13.374 91 H SER 28 H SER 28 -37.787 -3.672 -14.276 92 HA SER 28 HA SER 28 -37.572 -1.711 -16.443 93 HB2 SER 28 HB1 SER 28 -40.279 -2.520 -15.643 94 HB3 SER 28 HB2 SER 28 -39.515 -2.534 -17.243 95 HG SER 28 HG SER 28 -40.037 -4.610 -15.766 96 H SER 29 H SER 29 -38.886 -2.139 -13.201 97 HA SER 29 HA SER 29 -39.406 0.761 -13.102 98 HB2 SER 29 HB1 SER 29 -40.920 -0.159 -11.057 99 HB3 SER 29 HB2 SER 29 -41.530 0.035 -12.709 100 HG SER 29 HG SER 29 -41.548 -2.077 -12.980 101 H ALA 30 H ALA 30 -37.103 0.881 -12.507 102 HA ALA 30 HA ALA 30 -36.792 1.156 -9.706 103 HB1 ALA 30 HB1 ALA 30 -36.467 -1.130 -9.470 104 HB2 ALA 30 HB2 ALA 30 -35.591 -1.264 -10.995 105 HB3 ALA 30 HB3 ALA 30 -34.822 -0.508 -9.599 106 H ASP 31 H ASP 31 -36.414 3.173 -11.108 107 HA ASP 31 HA ASP 31 -33.525 3.380 -11.644 108 HB2 ASP 31 HB1 ASP 31 -35.606 5.002 -13.111 109 HB3 ASP 31 HB2 ASP 31 -33.900 4.776 -13.522 110 HD2 ASP 31 HD ASP 31 -36.461 1.935 -14.553 111 H LEU 32 H LEU 32 -32.779 4.445 -9.911 112 HA LEU 32 HA LEU 32 -33.554 7.173 -9.510 113 HB2 LEU 32 HB1 LEU 32 -34.081 6.861 -7.073 114 HB3 LEU 32 HB2 LEU 32 -35.309 6.277 -8.209 115 HG LEU 32 HG LEU 32 -33.465 4.171 -7.459 116 HD11 LEU 32 HD11 LEU 32 -33.649 5.821 -5.399 117 HD12 LEU 32 HD12 LEU 32 -33.677 4.070 -5.195 118 HD13 LEU 32 HD13 LEU 32 -35.185 4.983 -5.180 119 HD21 LEU 32 HD21 LEU 32 -36.330 4.141 -6.716 120 HD22 LEU 32 HD22 LEU 32 -35.349 2.910 -7.513 121 HD23 LEU 32 HD23 LEU 32 -35.947 4.293 -8.432 122 H HIS 33 H HIS 33 -31.156 6.010 -10.255 123 HA HIS 33 HA HIS 33 -29.482 6.425 -7.865 124 HB2 HIS 33 HB1 HIS 33 -29.566 4.223 -9.623 125 HB3 HIS 33 HB2 HIS 33 -28.071 5.088 -9.995 126 HD1 HIS 33 HD1 HIS 33 -26.453 3.450 -8.947 127 HD2 HIS 33 HD2 HIS 33 -29.397 4.736 -6.313 128 HE1 HIS 33 HE1 HIS 33 -25.742 2.614 -6.685 129 HE2 HIS 33 HE2 HIS 33 -27.542 3.401 -5.074 130 H GLY 34 H GLY 34 -28.858 8.506 -7.985 131 HA2 GLY 34 HA2 GLY 34 -27.488 9.340 -10.461 132 HA3 GLY 34 HA3 GLY 34 -28.632 10.412 -9.666 133 HA1 GLY 34 HA1 GLY 34 -27.180 8.864 -9.786 134 H ALA 35 H ALA 35 -25.936 8.358 -8.553 135 HA ALA 35 HA ALA 35 -25.026 10.578 -6.876 136 HB1 ALA 35 HB1 ALA 35 -24.738 8.950 -5.394 137 HB2 ALA 35 HB2 ALA 35 -25.034 7.711 -6.614 138 HB3 ALA 35 HB3 ALA 35 -23.408 8.355 -6.387 139 H ARG 36 H ARG 36 -23.696 11.925 -7.920 140 HA ARG 36 HA ARG 36 -21.578 10.759 -9.604 141 HB2 ARG 36 HB1 ARG 36 -21.497 12.885 -10.802 142 HB3 ARG 36 HB2 ARG 36 -23.125 12.195 -10.850 143 HG2 ARG 36 HG1 ARG 36 -24.040 13.875 -9.646 144 HG3 ARG 36 HG2 ARG 36 -22.588 14.083 -8.650 145 HD2 ARG 36 HD1 ARG 36 -21.471 15.305 -10.385 146 HD3 ARG 36 HD2 ARG 36 -22.756 14.920 -11.539 147 HE ARG 36 HE ARG 36 -23.990 16.649 -10.693 148 HH11 ARG 36 HH11 ARG 36 -21.447 15.864 -8.450 149 HH12 ARG 36 HH12 ARG 36 -21.753 17.225 -7.423 150 HH21 ARG 36 HH21 ARG 36 -24.402 18.447 -9.350 151 HH22 ARG 36 HH22 ARG 36 -23.435 18.694 -7.936 152 H LYS 37 H LYS 37 -19.518 11.946 -9.619 153 HA LYS 37 HA LYS 37 -17.685 12.780 -8.562 154 HB2 LYS 37 HB1 LYS 37 -19.666 14.666 -8.246 155 HB3 LYS 37 HB2 LYS 37 -19.116 14.400 -6.584 156 HG2 LYS 37 HG1 LYS 37 -16.813 14.891 -7.248 157 HG3 LYS 37 HG2 LYS 37 -17.361 15.158 -8.912 158 HD2 LYS 37 HD1 LYS 37 -18.643 16.699 -6.687 159 HD3 LYS 37 HD2 LYS 37 -17.043 17.182 -7.279 160 HE2 LYS 37 HE1 LYS 37 -17.958 17.299 -9.584 161 HE3 LYS 37 HE2 LYS 37 -19.556 16.912 -8.927 162 HZ1 LYS 37 HZ1 LYS 37 -18.684 19.393 -9.285 163 HZ2 LYS 37 HZ2 LYS 37 -18.192 19.155 -7.684 164 HZ3 LYS 37 HZ3 LYS 37 -19.820 18.974 -8.103 165 H GLY 38 H GLY 38 -16.748 13.177 -6.222 166 HA2 GLY 38 HA2 GLY 38 -17.465 12.299 -3.862 167 HA3 GLY 38 HA3 GLY 38 -17.435 10.760 -4.712 168 HA1 GLY 38 HA1 GLY 38 -16.889 12.779 -4.329 169 H SER 39 H SER 39 -15.851 10.969 -2.569 170 HA SER 39 HA SER 39 -13.198 11.834 -3.353 171 HB2 SER 39 HB1 SER 39 -14.545 11.471 -0.901 172 HB3 SER 39 HB2 SER 39 -13.242 10.268 -0.926 173 HG SER 39 HG SER 39 -12.867 12.623 -0.198 174 H GLN 40 H GLN 40 -11.381 10.470 -3.516 175 HA GLN 40 HA GLN 40 -12.041 7.782 -4.455 176 HB2 GLN 40 HB1 GLN 40 -10.108 9.804 -5.186 177 HB3 GLN 40 HB2 GLN 40 -9.307 8.260 -4.858 178 HG2 GLN 40 HG1 GLN 40 -11.512 8.780 -6.849 179 HG3 GLN 40 HG2 GLN 40 -9.822 8.383 -7.189 180 HE21 GLN 40 HE21 GLN 40 -12.538 7.079 -7.705 181 HE22 GLN 40 HE22 GLN 40 -12.290 5.433 -7.244 182 H CYS 41 H CYS 41 -9.434 9.287 -2.537 183 HA CYS 41 HA CYS 41 -9.627 7.170 -0.567 184 HB2 CYS 41 HB1 CYS 41 -7.204 6.619 -0.723 185 HB3 CYS 41 HB2 CYS 41 -8.135 6.114 -2.135 186 H LEU 42 H LEU 42 -8.879 7.771 1.428 187 HA LEU 42 HA LEU 42 -8.066 10.573 1.681 188 HB2 LEU 42 HB1 LEU 42 -9.530 8.636 3.378 189 HB3 LEU 42 HB2 LEU 42 -8.492 9.801 4.217 190 HG LEU 42 HG LEU 42 -10.102 11.194 2.305 191 HD11 LEU 42 HD11 LEU 42 -11.564 9.168 2.612 192 HD12 LEU 42 HD12 LEU 42 -12.302 10.713 3.034 193 HD13 LEU 42 HD13 LEU 42 -11.721 9.637 4.305 194 HD21 LEU 42 HD21 LEU 42 -10.808 12.420 4.291 195 HD22 LEU 42 HD22 LEU 42 -9.062 12.162 4.295 196 HD23 LEU 42 HD23 LEU 42 -10.104 11.174 5.323 197 H SER 43 H SER 43 -6.951 7.331 2.196 198 HA SER 43 HA SER 43 -4.345 8.390 3.006 199 HB2 SER 43 HB1 SER 43 -5.645 7.661 5.049 200 HB3 SER 43 HB2 SER 43 -5.600 6.015 4.394 201 HG SER 43 HG SER 43 -3.569 5.842 4.939 202 H ASP 44 H ASP 44 -2.630 6.666 2.877 203 HA ASP 44 HA ASP 44 -2.573 5.543 0.321 204 HB2 ASP 44 HB1 ASP 44 -0.929 4.632 2.696 205 HB3 ASP 44 HB2 ASP 44 -0.511 4.482 0.984 206 HD2 ASP 44 HD ASP 44 1.074 7.454 2.460 207 H THR 45 H THR 45 -3.753 4.284 3.334 208 HA THR 45 HA THR 45 -3.898 1.555 2.375 209 HB THR 45 HB THR 45 -5.179 1.200 4.552 210 HG1 THR 45 HG1 THR 45 -5.782 3.395 4.877 211 HG21 THR 45 HG21 THR 45 -3.080 1.550 5.948 212 HG22 THR 45 HG22 THR 45 -2.348 2.224 4.492 213 HG23 THR 45 HG23 THR 45 -2.906 0.551 4.506 214 H ASP 46 H ASP 46 -5.942 4.350 2.556 215 HA ASP 46 HA ASP 46 -8.443 3.031 2.325 216 HB2 ASP 46 HB1 ASP 46 -7.856 5.510 2.969 217 HB3 ASP 46 HB2 ASP 46 -7.989 5.781 1.225 218 HD2 ASP 46 HD ASP 46 -11.257 5.906 3.113 219 H CYS 47 H CYS 47 -5.974 3.902 0.052 220 HA CYS 47 HA CYS 47 -7.527 3.863 -2.307 221 HB2 CYS 47 HB1 CYS 47 -5.233 4.824 -2.113 222 HB3 CYS 47 HB2 CYS 47 -4.596 3.182 -2.007 223 H ASN 48 H ASN 48 -5.148 1.411 -1.284 224 HA ASN 48 HA ASN 48 -7.019 -0.726 -1.829 225 HB2 ASN 48 HB1 ASN 48 -5.512 0.142 -3.953 226 HB3 ASN 48 HB2 ASN 48 -4.511 -1.160 -3.299 227 HD21 ASN 48 HD21 ASN 48 -4.809 -2.856 -4.558 228 HD22 ASN 48 HD22 ASN 48 -6.337 -3.502 -5.040 229 H THR 49 H THR 49 -5.694 -2.916 -1.669 230 HA THR 49 HA THR 49 -4.658 -3.014 0.955 231 HB THR 49 HB THR 49 -5.744 -4.961 0.024 232 HG1 THR 49 HG1 THR 49 -4.072 -5.344 1.558 233 HG21 THR 49 HG21 THR 49 -5.158 -4.696 -2.316 234 HG22 THR 49 HG22 THR 49 -4.662 -6.294 -1.757 235 HG23 THR 49 HG23 THR 49 -3.462 -5.017 -1.953 236 H ARG 50 H ARG 50 -3.160 -2.658 -2.171 237 HA ARG 50 HA ARG 50 -0.585 -2.244 -0.855 238 HB2 ARG 50 HB1 ARG 50 -1.045 -4.142 -3.166 239 HB3 ARG 50 HB2 ARG 50 0.551 -3.565 -2.663 240 HG2 ARG 50 HG1 ARG 50 -0.254 -4.489 -0.309 241 HG3 ARG 50 HG2 ARG 50 -1.258 -5.510 -1.351 242 HD2 ARG 50 HD1 ARG 50 1.292 -5.534 -2.524 243 HD3 ARG 50 HD2 ARG 50 1.561 -5.689 -0.783 244 HE ARG 50 HE ARG 50 -0.466 -7.461 -1.416 245 HH11 ARG 50 HH11 ARG 50 2.874 -6.973 -2.266 246 HH12 ARG 50 HH12 ARG 50 3.183 -8.654 -2.551 247 HH21 ARG 50 HH21 ARG 50 -0.073 -9.678 -1.787 248 HH22 ARG 50 HH22 ARG 50 1.506 -10.191 -2.280 249 H LYS 51 H LYS 51 -1.799 -0.105 -1.512 250 HA LYS 51 HA LYS 51 -0.473 0.824 -3.939 251 HB2 LYS 51 HB1 LYS 51 -3.189 0.218 -3.951 252 HB3 LYS 51 HB2 LYS 51 -3.137 1.974 -3.726 253 HG2 LYS 51 HG1 LYS 51 -1.853 2.266 -5.736 254 HG3 LYS 51 HG2 LYS 51 -1.696 0.511 -5.926 255 HD2 LYS 51 HD1 LYS 51 -3.749 0.288 -6.823 256 HD3 LYS 51 HD2 LYS 51 -4.464 1.449 -5.692 257 HE2 LYS 51 HE1 LYS 51 -4.438 3.054 -7.240 258 HE3 LYS 51 HE2 LYS 51 -2.696 2.832 -7.466 259 HZ1 LYS 51 HZ1 LYS 51 -3.081 1.171 -9.099 260 HZ2 LYS 51 HZ2 LYS 51 -4.060 2.491 -9.500 261 HZ3 LYS 51 HZ3 LYS 51 -4.740 1.124 -8.772 262 H PHE 52 H PHE 52 -0.570 3.244 -4.108 263 HA PHE 52 HA PHE 52 -0.505 4.428 -1.411 264 HB2 PHE 52 HB1 PHE 52 1.704 4.508 -2.169 265 HB3 PHE 52 HB2 PHE 52 1.220 4.858 -3.830 266 HD1 PHE 52 HD1 PHE 52 1.524 6.320 -0.456 267 HD2 PHE 52 HD2 PHE 52 0.932 7.068 -4.604 268 HE1 PHE 52 HE1 PHE 52 1.857 8.726 -0.065 269 HE2 PHE 52 HE2 PHE 52 1.264 9.476 -4.220 270 HZ PHE 52 HZ PHE 52 1.728 10.307 -1.949 271 H CYS 53 H CYS 53 -1.423 6.435 -1.071 272 HA CYS 53 HA CYS 53 -3.175 7.390 -3.236 273 HB2 CYS 53 HB1 CYS 53 -4.342 6.537 -1.230 274 HB3 CYS 53 HB2 CYS 53 -3.498 7.735 -0.247 275 H LEU 54 H LEU 54 -2.982 9.426 -3.957 276 HA LEU 54 HA LEU 54 -1.063 11.178 -2.574 277 HB2 LEU 54 HB1 LEU 54 -0.560 10.317 -4.932 278 HB3 LEU 54 HB2 LEU 54 -1.859 11.400 -5.462 279 HG LEU 54 HG LEU 54 0.467 12.296 -5.731 280 HD11 LEU 54 HD11 LEU 54 -1.596 13.698 -5.599 281 HD12 LEU 54 HD12 LEU 54 -0.120 14.515 -5.088 282 HD13 LEU 54 HD13 LEU 54 -1.263 13.925 -3.882 283 HD21 LEU 54 HD21 LEU 54 1.334 11.368 -3.596 284 HD22 LEU 54 HD22 LEU 54 0.363 12.558 -2.728 285 HD23 LEU 54 HD23 LEU 54 1.658 13.089 -3.803 286 H GLN 55 H GLN 55 -1.966 12.818 -1.536 287 HA GLN 55 HA GLN 55 -4.529 13.876 -2.518 288 HB2 GLN 55 HB1 GLN 55 -4.694 14.860 -0.181 289 HB3 GLN 55 HB2 GLN 55 -4.821 13.097 -0.306 290 HG2 GLN 55 HG1 GLN 55 -2.089 14.080 0.112 291 HG3 GLN 55 HG2 GLN 55 -3.213 14.428 1.434 292 HE21 GLN 55 HE21 GLN 55 -2.794 13.001 2.969 293 HE22 GLN 55 HE22 GLN 55 -2.684 11.291 2.755 294 HA PRO 56 HA PRO 56 -1.618 17.235 -3.591 295 HB2 PRO 56 HB1 PRO 56 -3.113 18.142 -5.699 296 HB3 PRO 56 HB2 PRO 56 -1.982 16.795 -5.816 297 HG2 PRO 56 HG1 PRO 56 -4.955 16.753 -5.418 298 HG3 PRO 56 HG2 PRO 56 -3.940 15.762 -6.530 299 HD2 PRO 56 HD1 PRO 56 -4.891 14.808 -4.173 300 HD3 PRO 56 HD2 PRO 56 -3.324 14.321 -4.841 301 H ARG 57 H ARG 57 -1.741 19.408 -3.137 302 HA ARG 57 HA ARG 57 -4.043 20.263 -1.610 303 HB2 ARG 57 HB1 ARG 57 -1.441 20.707 -1.240 304 HB3 ARG 57 HB2 ARG 57 -1.807 22.128 -2.229 305 HG2 ARG 57 HG1 ARG 57 -3.649 22.681 -0.615 306 HG3 ARG 57 HG2 ARG 57 -3.025 21.383 0.417 307 HD2 ARG 57 HD1 ARG 57 -0.888 23.144 -0.444 308 HD3 ARG 57 HD2 ARG 57 -2.182 24.041 0.362 309 HE ARG 57 HE ARG 57 -0.313 22.291 1.592 310 HH11 ARG 57 HH11 ARG 57 -3.613 23.386 1.761 311 HH12 ARG 57 HH12 ARG 57 -3.768 23.071 3.458 312 HH21 ARG 57 HH21 ARG 57 -0.503 21.873 3.825 313 HH22 ARG 57 HH22 ARG 57 -1.998 22.212 4.631 314 H ASP 58 H ASP 58 -2.779 20.691 -4.789 315 HA ASP 58 HA ASP 58 -4.447 23.029 -5.305 316 HB2 ASP 58 HB1 ASP 58 -2.057 21.874 -6.478 317 HB3 ASP 58 HB2 ASP 58 -3.281 22.202 -7.712 318 HD2 ASP 58 HD ASP 58 -1.266 25.198 -6.361 319 H GLU 59 H GLU 59 -4.440 19.611 -5.754 320 HA GLU 59 HA GLU 59 -6.913 19.838 -7.340 321 HB2 GLU 59 HB1 GLU 59 -4.464 18.403 -7.925 322 HB3 GLU 59 HB2 GLU 59 -5.848 17.302 -7.852 323 HG2 GLU 59 HG1 GLU 59 -6.320 17.864 -9.938 324 HG3 GLU 59 HG2 GLU 59 -6.757 19.469 -9.333 325 HE2 GLU 59 HE GLU 59 -3.708 20.831 -10.420 326 H LYS 60 H LYS 60 -7.955 17.436 -7.286 327 HA LYS 60 HA LYS 60 -8.640 17.053 -4.501 328 HB2 LYS 60 HB1 LYS 60 -9.792 16.356 -7.119 329 HB3 LYS 60 HB2 LYS 60 -10.023 15.126 -5.866 330 HG2 LYS 60 HG1 LYS 60 -11.129 16.699 -4.423 331 HG3 LYS 60 HG2 LYS 60 -10.765 18.025 -5.542 332 HD2 LYS 60 HD1 LYS 60 -12.118 16.850 -7.287 333 HD3 LYS 60 HD2 LYS 60 -12.581 15.670 -6.049 334 HE2 LYS 60 HE1 LYS 60 -13.012 18.311 -5.019 335 HE3 LYS 60 HE2 LYS 60 -13.774 18.170 -6.610 336 HZ1 LYS 60 HZ1 LYS 60 -14.271 15.855 -5.040 337 HZ2 LYS 60 HZ2 LYS 60 -15.373 16.912 -5.766 338 HZ3 LYS 60 HZ3 LYS 60 -14.772 17.247 -4.221 339 HA PRO 61 HA PRO 61 -6.251 13.475 -3.640 340 HB2 PRO 61 HB1 PRO 61 -7.982 11.953 -2.159 341 HB3 PRO 61 HB2 PRO 61 -7.234 13.435 -1.564 342 HG2 PRO 61 HG1 PRO 61 -9.954 13.025 -2.758 343 HG3 PRO 61 HG2 PRO 61 -9.482 13.961 -1.290 344 HD2 PRO 61 HD1 PRO 61 -10.013 15.143 -3.675 345 HD3 PRO 61 HD2 PRO 61 -8.801 15.770 -2.544 346 H PHE 62 H PHE 62 -5.664 11.798 -4.858 347 HA PHE 62 HA PHE 62 -7.702 10.004 -5.939 348 HB2 PHE 62 HB1 PHE 62 -6.357 10.027 -8.146 349 HB3 PHE 62 HB2 PHE 62 -7.469 11.361 -7.829 350 HD1 PHE 62 HD1 PHE 62 -3.917 10.552 -6.996 351 HD2 PHE 62 HD2 PHE 62 -6.708 13.431 -8.424 352 HE1 PHE 62 HE1 PHE 62 -2.090 12.173 -7.290 353 HE2 PHE 62 HE2 PHE 62 -4.884 15.055 -8.722 354 HZ PHE 62 HZ PHE 62 -2.571 14.427 -8.156 355 H CYS 63 H CYS 63 -6.725 8.008 -6.869 356 HA CYS 63 HA CYS 63 -4.734 6.993 -5.067 357 HB2 CYS 63 HB1 CYS 63 -6.465 5.869 -7.223 358 HB3 CYS 63 HB2 CYS 63 -5.022 4.961 -6.769 359 H ALA 64 H ALA 64 -2.611 6.810 -5.380 360 HA ALA 64 HA ALA 64 -1.563 7.292 -8.094 361 HB1 ALA 64 HB1 ALA 64 0.495 8.157 -6.851 362 HB2 ALA 64 HB2 ALA 64 -0.943 9.180 -6.855 363 HB3 ALA 64 HB3 ALA 64 -0.545 8.223 -5.427 364 H THR 65 H THR 65 -0.903 5.403 -8.891 365 HA THR 65 HA THR 65 -0.206 3.136 -7.406 366 HB THR 65 HB THR 65 1.124 3.292 -10.010 367 HG1 THR 65 HG1 THR 65 -0.457 4.463 -10.852 368 HG21 THR 65 HG21 THR 65 -0.482 1.304 -10.350 369 HG22 THR 65 HG22 THR 65 -0.854 1.502 -8.637 370 HG23 THR 65 HG23 THR 65 0.796 1.147 -9.146 371 H CYS 66 H CYS 66 1.882 2.063 -7.267 372 HA CYS 66 HA CYS 66 3.842 3.562 -6.034 373 HB2 CYS 66 HB1 CYS 66 3.763 1.176 -5.753 374 HB3 CYS 66 HB2 CYS 66 4.063 0.915 -7.472 375 H ARG 67 H ARG 67 5.614 4.679 -6.661 376 HA ARG 67 HA ARG 67 5.849 5.309 -9.484 377 HB2 ARG 67 HB1 ARG 67 7.267 6.402 -7.044 378 HB3 ARG 67 HB2 ARG 67 7.508 6.995 -8.694 379 HG2 ARG 67 HG1 ARG 67 4.825 6.988 -7.318 380 HG3 ARG 67 HG2 ARG 67 5.952 8.355 -7.276 381 HD2 ARG 67 HD1 ARG 67 5.925 8.408 -9.764 382 HD3 ARG 67 HD2 ARG 67 4.703 7.129 -9.732 383 HE ARG 67 HE ARG 67 3.710 9.152 -8.145 384 HH11 ARG 67 HH11 ARG 67 4.703 8.782 -11.461 385 HH12 ARG 67 HH12 ARG 67 3.599 9.976 -12.061 386 HH21 ARG 67 HH21 ARG 67 2.253 10.725 -8.922 387 HH22 ARG 67 HH22 ARG 67 2.207 11.081 -10.616 388 H GLY 68 H GLY 68 8.410 5.823 -9.965 389 HA2 GLY 68 HA2 GLY 68 9.610 3.154 -9.912 390 HA3 GLY 68 HA3 GLY 68 10.073 4.478 -10.971 391 HA1 GLY 68 HA1 GLY 68 9.460 3.570 -9.149 392 H LEU 69 H LEU 69 12.059 3.106 -9.803 393 HA LEU 69 HA LEU 69 12.860 4.141 -7.276 394 HB2 LEU 69 HB1 LEU 69 14.397 2.733 -9.463 395 HB3 LEU 69 HB2 LEU 69 15.080 3.160 -7.883 396 HG LEU 69 HG LEU 69 12.841 1.209 -8.415 397 HD11 LEU 69 HD11 LEU 69 14.685 -0.033 -8.866 398 HD12 LEU 69 HD12 LEU 69 14.685 -0.194 -7.110 399 HD13 LEU 69 HD13 LEU 69 15.747 0.980 -7.888 400 HD21 LEU 69 HD21 LEU 69 12.382 2.388 -6.361 401 HD22 LEU 69 HD22 LEU 69 14.040 2.145 -5.811 402 HD23 LEU 69 HD23 LEU 69 12.959 0.763 -5.987 403 H ARG 70 H ARG 70 13.142 5.248 -10.534 404 HA ARG 70 HA ARG 70 15.236 7.162 -9.878 405 HB2 ARG 70 HB1 ARG 70 13.913 6.213 -12.378 406 HB3 ARG 70 HB2 ARG 70 14.620 7.837 -12.376 407 HG2 ARG 70 HG1 ARG 70 16.674 6.464 -11.315 408 HG3 ARG 70 HG2 ARG 70 15.938 5.203 -12.317 409 HD2 ARG 70 HD1 ARG 70 16.417 7.931 -13.469 410 HD3 ARG 70 HD2 ARG 70 17.751 6.776 -13.332 411 HE ARG 70 HE ARG 70 15.528 6.649 -15.160 412 HH11 ARG 70 HH11 ARG 70 18.039 4.855 -13.547 413 HH12 ARG 70 HH12 ARG 70 18.070 3.587 -14.727 414 HH21 ARG 70 HH21 ARG 70 15.560 4.985 -16.720 415 HH22 ARG 70 HH22 ARG 70 16.660 3.662 -16.532 416 H ARG 71 H ARG 71 12.229 7.116 -9.011 417 HA ARG 71 HA ARG 71 11.483 9.799 -9.916 418 HB2 ARG 71 HB1 ARG 71 9.955 7.613 -8.497 419 HB3 ARG 71 HB2 ARG 71 9.310 9.246 -8.720 420 HG2 ARG 71 HG1 ARG 71 10.122 7.354 -10.930 421 HG3 ARG 71 HG2 ARG 71 8.466 7.719 -10.417 422 HD2 ARG 71 HD1 ARG 71 8.485 9.326 -11.977 423 HD3 ARG 71 HD2 ARG 71 9.531 10.215 -10.859 424 HE ARG 71 HE ARG 71 11.014 8.427 -12.519 425 HH11 ARG 71 HH11 ARG 71 9.473 11.547 -12.424 426 HH12 ARG 71 HH12 ARG 71 10.489 12.232 -13.648 427 HH21 ARG 71 HH21 ARG 71 12.359 9.318 -14.132 428 HH22 ARG 71 HH22 ARG 71 12.130 10.962 -14.620 429 H ARG 72 H ARG 72 11.607 11.533 -8.634 430 HA ARG 72 HA ARG 72 12.941 11.397 -6.140 431 HB2 ARG 72 HB1 ARG 72 11.386 13.655 -7.426 432 HB3 ARG 72 HB2 ARG 72 12.406 13.824 -5.989 433 HG2 ARG 72 HG1 ARG 72 13.839 12.568 -8.178 434 HG3 ARG 72 HG2 ARG 72 13.195 14.159 -8.616 435 HD2 ARG 72 HD1 ARG 72 14.178 14.787 -6.211 436 HD3 ARG 72 HD2 ARG 72 15.244 13.428 -6.600 437 HE ARG 72 HE ARG 72 16.326 14.781 -8.078 438 HH11 ARG 72 HH11 ARG 72 13.141 16.074 -7.525 439 HH12 ARG 72 HH12 ARG 72 13.411 17.495 -8.479 440 HH21 ARG 72 HH21 ARG 72 16.694 16.647 -9.336 441 HH22 ARG 72 HH22 ARG 72 15.432 17.820 -9.509 442 H CYS 73 H CYS 73 12.157 11.984 -4.055 443 HA CYS 73 HA CYS 73 9.265 11.938 -3.661 444 HB2 CYS 73 HB1 CYS 73 9.337 10.181 -2.014 445 HB3 CYS 73 HB2 CYS 73 10.042 9.580 -3.515 446 H GLN 74 H GLN 74 8.582 13.097 -1.918 447 HA GLN 74 HA GLN 74 10.600 14.710 -0.580 448 HB2 GLN 74 HB1 GLN 74 7.608 14.858 -0.839 449 HB3 GLN 74 HB2 GLN 74 8.459 15.816 0.384 450 HG2 GLN 74 HG1 GLN 74 9.936 16.466 -1.750 451 HG3 GLN 74 HG2 GLN 74 8.399 16.115 -2.552 452 HE21 GLN 74 HE21 GLN 74 9.584 18.645 -2.491 453 HE22 GLN 74 HE22 GLN 74 8.561 19.707 -1.592 454 H ARG 75 H ARG 75 7.861 12.626 0.327 455 HA ARG 75 HA ARG 75 9.104 12.310 2.981 456 HB2 ARG 75 HB1 ARG 75 6.180 12.115 2.213 457 HB3 ARG 75 HB2 ARG 75 6.834 11.808 3.828 458 HG2 ARG 75 HG1 ARG 75 7.034 13.993 4.324 459 HG3 ARG 75 HG2 ARG 75 7.541 14.416 2.680 460 HD2 ARG 75 HD1 ARG 75 5.247 14.297 1.889 461 HD3 ARG 75 HD2 ARG 75 4.712 13.747 3.483 462 HE ARG 75 HE ARG 75 5.323 16.448 2.695 463 HH11 ARG 75 HH11 ARG 75 5.007 14.229 5.359 464 HH12 ARG 75 HH12 ARG 75 4.706 15.471 6.529 465 HH21 ARG 75 HH21 ARG 75 4.928 18.093 4.226 466 HH22 ARG 75 HH22 ARG 75 4.660 17.669 5.883 467 H ASP 76 H ASP 76 8.676 10.202 4.031 468 HA ASP 76 HA ASP 76 9.433 8.069 2.334 469 HB2 ASP 76 HB1 ASP 76 8.257 7.662 5.076 470 HB3 ASP 76 HB2 ASP 76 9.537 6.746 4.269 471 HD2 ASP 76 HD ASP 76 10.829 9.256 6.713 472 H ALA 77 H ALA 77 6.366 9.253 3.439 473 HA ALA 77 HA ALA 77 4.895 6.865 2.817 474 HB1 ALA 77 HB1 ALA 77 3.035 8.871 2.893 475 HB2 ALA 77 HB2 ALA 77 3.583 7.931 4.280 476 HB3 ALA 77 HB3 ALA 77 4.313 9.499 3.933 477 H MET 78 H MET 78 5.794 9.797 1.143 478 HA MET 78 HA MET 78 3.966 9.847 -0.930 479 HB2 MET 78 HB1 MET 78 6.682 10.855 -0.466 480 HB3 MET 78 HB2 MET 78 6.313 10.567 -2.173 481 HG2 MET 78 HG1 MET 78 4.058 11.877 -1.258 482 HG3 MET 78 HG2 MET 78 5.381 12.663 -0.393 483 HE1 MET 78 HE1 MET 78 5.640 11.151 -4.188 484 HE2 MET 78 HE2 MET 78 3.979 11.526 -3.725 485 HE3 MET 78 HE3 MET 78 4.800 12.507 -4.942 486 H CYS 79 H CYS 79 6.903 7.909 -0.601 487 HA CYS 79 HA CYS 79 6.514 6.676 -3.196 488 HB2 CYS 79 HB1 CYS 79 8.767 7.243 -2.021 489 HB3 CYS 79 HB2 CYS 79 8.494 5.737 -1.142 490 H CYS 80 H CYS 80 5.934 4.554 -3.570 491 HA CYS 80 HA CYS 80 3.992 3.397 -1.991 492 HB2 CYS 80 HB1 CYS 80 4.501 1.271 -3.264 493 HB3 CYS 80 HB2 CYS 80 4.175 2.694 -4.255 494 HA PRO 81 HA PRO 81 5.966 1.341 1.345 495 HB2 PRO 81 HB1 PRO 81 4.390 -0.882 1.629 496 HB3 PRO 81 HB2 PRO 81 3.868 0.744 2.069 497 HG2 PRO 81 HG1 PRO 81 3.341 -0.807 -0.445 498 HG3 PRO 81 HG2 PRO 81 2.198 0.163 0.559 499 HD2 PRO 81 HD1 PRO 81 3.270 1.093 -1.754 500 HD3 PRO 81 HD2 PRO 81 2.907 2.146 -0.377 501 H GLY 82 H GLY 82 7.816 0.234 1.405 502 HA2 GLY 82 HA2 GLY 82 8.671 -2.134 1.145 503 HA3 GLY 82 HA3 GLY 82 8.188 -1.960 -0.536 504 HA1 GLY 82 HA1 GLY 82 8.867 -1.304 1.368 505 H THR 83 H THR 83 9.098 0.963 -0.274 506 HA THR 83 HA THR 83 11.971 0.410 -0.639 507 HB THR 83 HB THR 83 11.794 2.625 -2.046 508 HG1 THR 83 HG1 THR 83 9.141 1.582 -2.140 509 HG21 THR 83 HG21 THR 83 10.625 0.660 -3.761 510 HG22 THR 83 HG22 THR 83 11.743 -0.136 -2.653 511 HG23 THR 83 HG23 THR 83 12.305 1.190 -3.670 512 H LEU 84 H LEU 84 13.297 2.519 -0.436 513 HA LEU 84 HA LEU 84 12.330 4.035 1.899 514 HB2 LEU 84 HB1 LEU 84 14.707 2.423 1.559 515 HB3 LEU 84 HB2 LEU 84 15.122 4.103 1.942 516 HG LEU 84 HG LEU 84 15.030 2.720 3.951 517 HD11 LEU 84 HD11 LEU 84 14.291 4.469 5.108 518 HD12 LEU 84 HD12 LEU 84 12.649 4.272 4.496 519 HD13 LEU 84 HD13 LEU 84 13.833 5.189 3.565 520 HD21 LEU 84 HD21 LEU 84 13.219 1.476 4.614 521 HD22 LEU 84 HD22 LEU 84 13.135 1.275 2.864 522 HD23 LEU 84 HD23 LEU 84 12.075 2.432 3.672 523 H CYS 85 H CYS 85 12.623 6.215 1.896 524 HA CYS 85 HA CYS 85 13.231 7.449 -0.632 525 HB2 CYS 85 HB1 CYS 85 12.049 8.267 1.947 526 HB3 CYS 85 HB2 CYS 85 12.948 9.531 1.106 527 H VAL 86 H VAL 86 15.372 7.312 -1.113 528 HA VAL 86 HA VAL 86 17.266 8.444 0.841 529 HB VAL 86 HB VAL 86 17.875 6.583 -1.459 530 HG11 VAL 86 HG11 VAL 86 19.621 7.616 0.774 531 HG12 VAL 86 HG12 VAL 86 20.097 6.418 -0.431 532 HG13 VAL 86 HG13 VAL 86 19.727 8.071 -0.926 533 HG21 VAL 86 HG21 VAL 86 16.635 5.394 0.226 534 HG22 VAL 86 HG22 VAL 86 18.330 4.919 0.328 535 HG23 VAL 86 HG23 VAL 86 17.660 6.052 1.502 536 H ASN 87 H ASN 87 18.403 10.216 0.318 537 HA ASN 87 HA ASN 87 18.981 12.117 -0.795 538 HB2 ASN 87 HB1 ASN 87 20.280 10.192 -1.984 539 HB3 ASN 87 HB2 ASN 87 19.160 10.494 -3.317 540 HD21 ASN 87 HD21 ASN 87 22.140 10.999 -2.716 541 HD22 ASN 87 HD22 ASN 87 22.379 12.617 -3.275 542 H ASP 88 H ASP 88 16.185 11.602 -0.623 543 HA ASP 88 HA ASP 88 14.216 12.446 -1.388 544 HB2 ASP 88 HB1 ASP 88 15.855 14.033 -3.376 545 HB3 ASP 88 HB2 ASP 88 14.249 14.421 -2.741 546 HD2 ASP 88 HD ASP 88 17.398 15.495 -0.669 547 H VAL 89 H VAL 89 15.319 10.036 -2.542 548 HA VAL 89 HA VAL 89 13.676 9.954 -4.948 549 HB VAL 89 HB VAL 89 16.546 9.008 -4.957 550 HG11 VAL 89 HG11 VAL 89 16.115 8.522 -7.340 551 HG12 VAL 89 HG12 VAL 89 15.135 7.536 -6.254 552 HG13 VAL 89 HG13 VAL 89 14.415 8.913 -7.089 553 HG21 VAL 89 HG21 VAL 89 16.705 11.308 -5.215 554 HG22 VAL 89 HG22 VAL 89 16.624 10.737 -6.881 555 HG23 VAL 89 HG23 VAL 89 15.190 11.415 -6.110 556 H CYS 90 H CYS 90 12.793 7.952 -5.375 557 HA CYS 90 HA CYS 90 12.523 6.171 -3.208 558 HB2 CYS 90 HB1 CYS 90 11.785 5.971 -6.129 559 HB3 CYS 90 HB2 CYS 90 11.434 4.677 -4.981 560 H THR 91 H THR 91 14.202 5.028 -2.473 561 HA THR 91 HA THR 91 15.784 3.491 -4.431 562 HB THR 91 HB THR 91 16.778 4.475 -1.751 563 HG1 THR 91 HG1 THR 91 16.594 6.271 -3.046 564 HG21 THR 91 HG21 THR 91 18.250 3.286 -4.107 565 HG22 THR 91 HG22 THR 91 17.864 2.435 -2.610 566 HG23 THR 91 HG23 THR 91 18.967 3.812 -2.584 567 H THR 92 H THR 92 15.881 1.344 -4.158 568 HA THR 92 HA THR 92 14.143 -0.031 -2.490 569 HB THR 92 HB THR 92 15.970 -1.952 -2.898 570 HG1 THR 92 HG1 THR 92 16.427 -0.393 -5.187 571 HG21 THR 92 HG21 THR 92 14.873 -1.790 -5.408 572 HG22 THR 92 HG22 THR 92 13.741 -0.850 -4.437 573 HG23 THR 92 HG23 THR 92 14.101 -2.521 -4.002 574 H MET 93 H MET 93 14.503 -1.370 -0.649 575 HA MET 93 HA MET 93 15.994 -0.135 1.399 576 HB2 MET 93 HB1 MET 93 14.004 -2.080 1.234 577 HB3 MET 93 HB2 MET 93 15.393 -2.926 1.936 578 HG2 MET 93 HG1 MET 93 15.219 -0.446 3.269 579 HG3 MET 93 HG2 MET 93 13.580 -1.094 3.171 580 HE1 MET 93 HE1 MET 93 14.720 -0.387 5.601 581 HE2 MET 93 HE2 MET 93 13.695 -1.634 6.310 582 HE3 MET 93 HE3 MET 93 15.421 -1.603 6.670 583 H GLU 94 H GLU 94 16.535 -3.166 -0.386 584 HA GLU 94 HA GLU 94 18.860 -3.989 0.879 585 HB2 GLU 94 HB1 GLU 94 18.147 -4.294 -2.049 586 HB3 GLU 94 HB2 GLU 94 19.351 -5.250 -1.172 587 HG2 GLU 94 HG1 GLU 94 16.976 -5.464 0.312 588 HG3 GLU 94 HG2 GLU 94 16.525 -5.651 -1.389 589 HE2 GLU 94 HE GLU 94 18.089 -8.720 -1.627 590 H ASP 95 H ASP 95 18.404 -1.597 -1.649 591 HA ASP 95 HA ASP 95 21.231 -1.243 -2.095 592 HB2 ASP 95 HB1 ASP 95 18.725 -0.256 -3.269 593 HB3 ASP 95 HB2 ASP 95 20.007 0.962 -3.199 594 HD2 ASP 95 HD ASP 95 21.329 -0.395 -6.038 595 H ALA 96 H ALA 96 18.678 0.361 -0.287 596 HA ALA 96 HA ALA 96 19.892 2.756 0.358 597 HB1 ALA 96 HB1 ALA 96 18.172 3.036 1.772 598 HB2 ALA 96 HB2 ALA 96 17.574 1.533 1.069 599 HB3 ALA 96 HB3 ALA 96 18.464 1.502 2.591 600 H THR 97 H THR 97 21.963 2.922 0.969 601 HA THR 97 HA THR 97 22.790 1.463 3.383 602 HB THR 97 HB THR 97 25.164 1.571 2.190 603 HG1 THR 97 HG1 THR 97 24.565 0.846 -0.105 604 HG21 THR 97 HG21 THR 97 23.131 -0.424 2.533 605 HG22 THR 97 HG22 THR 97 24.885 -0.608 2.561 606 HG23 THR 97 HG23 THR 97 24.009 -0.723 1.034 607 H GLU 98 H GLU 98 22.169 3.563 4.326 608 HA GLU 98 HA GLU 98 24.177 5.663 3.869 609 HB2 GLU 98 HB1 GLU 98 22.606 7.204 4.942 610 HB3 GLU 98 HB2 GLU 98 21.859 6.382 3.564 611 HG2 GLU 98 HG1 GLU 98 20.754 4.814 5.105 612 HG3 GLU 98 HG2 GLU 98 21.457 5.700 6.466 613 HE2 GLU 98 HE GLU 98 18.709 7.699 4.399 614 H ASN 99 H ASN 99 24.437 7.040 6.009 615 HA ASN 99 HA ASN 99 25.427 7.149 8.054 616 HB2 ASN 99 HB1 ASN 99 23.027 5.846 8.407 617 HB3 ASN 99 HB2 ASN 99 24.178 4.734 9.160 618 HD21 ASN 99 HD21 ASN 99 24.516 5.056 11.225 619 HD22 ASN 99 HD22 ASN 99 24.388 6.563 12.060 620 H LEU 100 H LEU 100 26.498 5.554 9.828 621 HA LEU 100 HA LEU 100 27.884 3.351 8.520 622 HB2 LEU 100 HB1 LEU 100 29.036 5.880 8.631 623 HB3 LEU 100 HB2 LEU 100 29.767 4.997 9.983 624 HG LEU 100 HG LEU 100 29.968 3.214 7.886 625 HD11 LEU 100 HD11 LEU 100 29.359 4.743 6.195 626 HD12 LEU 100 HD12 LEU 100 31.118 4.631 6.138 627 HD13 LEU 100 HD13 LEU 100 30.348 6.027 6.892 628 HD21 LEU 100 HD21 LEU 100 31.641 3.713 9.618 629 HD22 LEU 100 HD22 LEU 100 32.011 5.235 8.807 630 HD23 LEU 100 HD23 LEU 100 32.340 3.703 7.999 631 H TYR 101 H TYR 101 29.695 2.619 10.298 632 HA TYR 101 HA TYR 101 28.332 2.536 12.904 633 HB2 TYR 101 HB1 TYR 101 29.084 0.131 13.079 634 HB3 TYR 101 HB2 TYR 101 27.798 0.440 11.910 635 HD1 TYR 101 HD1 TYR 101 31.315 -0.500 12.306 636 HD2 TYR 101 HD2 TYR 101 28.192 0.259 9.518 637 HE1 TYR 101 HE1 TYR 101 32.646 -1.566 10.534 638 HE2 TYR 101 HE2 TYR 101 29.515 -0.804 7.738 639 HH TYR 101 HH TYR 101 31.473 -2.655 7.755 640 H PHE 102 H PHE 102 29.976 1.237 14.465 641 HA PHE 102 HA PHE 102 32.732 2.012 14.021 642 HB2 PHE 102 HB1 PHE 102 32.932 3.371 16.021 643 HB3 PHE 102 HB2 PHE 102 31.701 4.058 14.959 644 HD1 PHE 102 HD1 PHE 102 32.300 2.364 18.136 645 HD2 PHE 102 HD2 PHE 102 29.356 4.024 15.549 646 HE1 PHE 102 HE1 PHE 102 30.665 2.321 19.975 647 HE2 PHE 102 HE2 PHE 102 27.717 3.984 17.383 648 HZ PHE 102 HZ PHE 102 28.370 3.133 19.600 649 H GLN 103 H GLN 103 34.192 0.898 15.311 650 HA GLN 103 HA GLN 103 33.010 -1.207 17.000 651 HB2 GLN 103 HB1 GLN 103 34.857 -1.342 14.788 652 HB3 GLN 103 HB2 GLN 103 35.608 -1.991 16.256 653 HG2 GLN 103 HG1 GLN 103 34.529 -3.897 15.969 654 HG3 GLN 103 HG2 GLN 103 32.995 -3.037 16.144 655 HE21 GLN 103 HE21 GLN 103 31.859 -2.399 14.309 656 HE22 GLN 103 HE22 GLN 103 32.192 -3.062 12.749 657 H SER 104 H SER 104 34.883 -2.162 18.470 658 HA SER 104 HA SER 104 36.130 -1.842 20.347 659 HB2 SER 104 HB1 SER 104 37.608 -0.834 18.386 660 HB3 SER 104 HB2 SER 104 37.294 0.682 19.248 661 HG SER 104 HG SER 104 39.181 -0.876 19.836 662 H LEU 105 H LEU 105 36.952 0.284 21.793 663 HA LEU 105 HA LEU 105 35.117 2.403 22.045 664 HB2 LEU 105 HB1 LEU 105 33.931 0.124 22.841 665 HB3 LEU 105 HB2 LEU 105 34.731 0.593 24.352 666 HG LEU 105 HG LEU 105 33.510 2.924 23.655 667 HD11 LEU 105 HD11 LEU 105 31.650 2.665 22.443 668 HD12 LEU 105 HD12 LEU 105 31.241 1.136 23.221 669 HD13 LEU 105 HD13 LEU 105 32.394 1.166 21.887 670 HD21 LEU 105 HD21 LEU 105 31.795 2.267 25.336 671 HD22 LEU 105 HD22 LEU 105 33.455 1.986 25.858 672 HD23 LEU 105 HD23 LEU 105 32.462 0.635 25.312 673 H GLU 106 H GLU 106 35.227 3.158 24.575 674 HA GLU 106 HA GLU 106 37.971 2.801 25.530 675 HB2 GLU 106 HB1 GLU 106 38.257 5.226 25.824 676 HB3 GLU 106 HB2 GLU 106 38.048 4.786 24.123 677 HG2 GLU 106 HG1 GLU 106 35.709 5.480 24.209 678 HG3 GLU 106 HG2 GLU 106 35.905 5.910 25.912 679 HE2 GLU 106 HE GLU 106 37.004 9.021 25.040 680 H HIS 107 H HIS 107 38.290 3.609 27.735 681 HA HIS 107 HA HIS 107 36.211 4.496 29.388 682 HB2 HIS 107 HB1 HIS 107 35.892 1.814 28.711 683 HB3 HIS 107 HB2 HIS 107 36.632 1.767 30.314 684 HD1 HIS 107 HD1 HIS 107 33.529 2.960 28.564 685 HD2 HIS 107 HD2 HIS 107 35.014 2.555 32.423 686 HE1 HIS 107 HE1 HIS 107 31.568 3.367 30.085 687 HE2 HIS 107 HE2 HIS 107 32.475 3.122 32.444 688 H HIS 108 H HIS 108 36.767 3.940 31.805 689 HA HIS 108 HA HIS 108 38.241 4.310 33.501 690 HB2 HIS 108 HB1 HIS 108 38.875 1.954 32.501 691 HB3 HIS 108 HB2 HIS 108 40.350 2.795 32.013 692 HD1 HIS 108 HD1 HIS 108 40.462 4.603 34.655 693 HD2 HIS 108 HD2 HIS 108 40.159 0.463 34.481 694 HE1 HIS 108 HE1 HIS 108 41.359 3.770 36.852 695 HE2 HIS 108 HE2 HIS 108 41.173 1.240 36.748 696 H HIS 109 H HIS 109 38.134 6.508 32.120 697 HA HIS 109 HA HIS 109 40.853 7.516 32.191 698 HB2 HIS 109 HB1 HIS 109 39.149 7.546 29.697 699 HB3 HIS 109 HB2 HIS 109 40.479 8.682 29.946 700 HD1 HIS 109 HD1 HIS 109 39.918 5.733 28.199 701 HD2 HIS 109 HD2 HIS 109 42.942 6.952 30.774 702 HE1 HIS 109 HE1 HIS 109 41.885 4.256 27.672 703 HE2 HIS 109 HE2 HIS 109 43.733 5.000 29.248 704 H HIS 110 H HIS 110 39.969 8.597 34.036 705 HA HIS 110 HA HIS 110 38.717 11.120 33.323 706 HB2 HIS 110 HB1 HIS 110 37.090 9.096 34.204 707 HB3 HIS 110 HB2 HIS 110 37.477 9.932 35.711 708 HD1 HIS 110 HD1 HIS 110 35.227 10.101 32.885 709 HD2 HIS 110 HD2 HIS 110 36.850 12.817 35.579 710 HE1 HIS 110 HE1 HIS 110 33.773 12.148 32.736 711 HE2 HIS 110 HE2 HIS 110 34.762 13.807 34.382 712 H HIS 111 H HIS 111 39.870 9.085 36.002 713 HA HIS 111 HA HIS 111 40.617 11.361 37.593 714 HB2 HIS 111 HB1 HIS 111 40.049 8.727 38.145 715 HB3 HIS 111 HB2 HIS 111 41.806 8.778 38.318 716 HD1 HIS 111 HD1 HIS 111 39.001 11.094 39.468 717 HD2 HIS 111 HD2 HIS 111 42.444 9.255 40.888 718 HE1 HIS 111 HE1 HIS 111 39.214 11.825 41.865 719 HE2 HIS 111 HE2 HIS 111 41.317 10.702 42.734 720 H HIS 112 H HIS 112 42.917 11.388 38.528 721 HA HIS 112 HA HIS 112 44.782 11.291 36.264 722 HB2 HIS 112 HB1 HIS 112 44.399 13.476 37.409 723 HB3 HIS 112 HB2 HIS 112 45.074 12.775 38.883 724 HD1 HIS 112 HD1 HIS 112 46.531 12.275 35.434 725 HD2 HIS 112 HD2 HIS 112 47.405 14.221 38.999 726 HE1 HIS 112 HE1 HIS 112 48.882 13.128 35.176 727 HE2 HIS 112 HE2 HIS 112 49.418 14.317 37.355 Start of MODEL 51 1 H1 MET 18 H MET 18 -47.469 -24.608 41.176 2 HA MET 18 HA MET 18 -48.913 -22.360 40.735 3 HB2 MET 18 HB1 MET 18 -47.970 -22.383 43.613 4 HB3 MET 18 HB2 MET 18 -48.636 -20.980 42.766 5 HG2 MET 18 HG1 MET 18 -50.786 -21.787 42.791 6 HG3 MET 18 HG2 MET 18 -50.256 -23.469 42.880 7 HE1 MET 18 HE1 MET 18 -52.546 -22.160 44.288 8 HE2 MET 18 HE2 MET 18 -52.340 -23.683 45.152 9 HE3 MET 18 HE3 MET 18 -52.439 -22.166 46.049 10 H LEU 19 H LEU 19 -47.473 -20.240 41.291 11 HA LEU 19 HA LEU 19 -45.586 -19.108 40.717 12 HB2 LEU 19 HB1 LEU 19 -44.258 -21.566 41.872 13 HB3 LEU 19 HB2 LEU 19 -43.450 -20.028 41.522 14 HG LEU 19 HG LEU 19 -45.599 -19.389 43.209 15 HD11 LEU 19 HD11 LEU 19 -45.461 -21.957 43.620 16 HD12 LEU 19 HD12 LEU 19 -45.593 -20.851 44.986 17 HD13 LEU 19 HD13 LEU 19 -44.027 -21.538 44.556 18 HD21 LEU 19 HD21 LEU 19 -43.856 -18.715 44.731 19 HD22 LEU 19 HD22 LEU 19 -43.366 -18.331 43.080 20 HD23 LEU 19 HD23 LEU 19 -42.684 -19.737 43.899 21 H VAL 20 H VAL 20 -45.891 -19.146 38.488 22 HA VAL 20 HA VAL 20 -44.446 -21.247 37.016 23 HB VAL 20 HB VAL 20 -46.499 -19.330 35.908 24 HG11 VAL 20 HG11 VAL 20 -45.698 -20.048 33.958 25 HG12 VAL 20 HG12 VAL 20 -44.702 -21.278 34.739 26 HG13 VAL 20 HG13 VAL 20 -46.389 -21.622 34.352 27 HG21 VAL 20 HG21 VAL 20 -46.783 -22.059 37.106 28 HG22 VAL 20 HG22 VAL 20 -47.767 -20.619 37.366 29 HG23 VAL 20 HG23 VAL 20 -47.892 -21.510 35.849 30 H LEU 21 H LEU 21 -42.704 -20.743 35.833 31 HA LEU 21 HA LEU 21 -41.745 -18.002 35.899 32 HB2 LEU 21 HB1 LEU 21 -40.348 -20.347 34.626 33 HB3 LEU 21 HB2 LEU 21 -39.645 -18.853 35.271 34 HG LEU 21 HG LEU 21 -40.929 -20.142 37.430 35 HD11 LEU 21 HD11 LEU 21 -40.485 -22.088 35.612 36 HD12 LEU 21 HD12 LEU 21 -40.443 -22.336 37.358 37 HD13 LEU 21 HD13 LEU 21 -38.942 -22.083 36.466 38 HD21 LEU 21 HD21 LEU 21 -38.424 -20.491 38.049 39 HD22 LEU 21 HD22 LEU 21 -39.079 -18.857 37.926 40 HD23 LEU 21 HD23 LEU 21 -38.126 -19.528 36.601 41 H ASP 22 H ASP 22 -41.005 -16.883 34.017 42 HA ASP 22 HA ASP 22 -42.016 -17.857 31.448 43 HB2 ASP 22 HB1 ASP 22 -43.810 -16.460 32.344 44 HB3 ASP 22 HB2 ASP 22 -42.665 -15.137 32.606 45 HD2 ASP 22 HD ASP 22 -43.652 -15.912 28.833 46 H PHE 23 H PHE 23 -40.298 -15.199 33.078 47 HA PHE 23 HA PHE 23 -38.408 -14.053 32.543 48 HB2 PHE 23 HB1 PHE 23 -37.883 -16.750 31.995 49 HB3 PHE 23 HB2 PHE 23 -37.298 -15.877 30.579 50 HD1 PHE 23 HD1 PHE 23 -37.003 -16.070 34.259 51 HD2 PHE 23 HD2 PHE 23 -35.303 -14.642 30.627 52 HE1 PHE 23 HE1 PHE 23 -34.954 -15.441 35.469 53 HE2 PHE 23 HE2 PHE 23 -33.252 -14.012 31.831 54 HZ PHE 23 HZ PHE 23 -33.075 -14.412 34.255 55 H ASN 24 H ASN 24 -37.033 -13.320 30.516 56 HA ASN 24 HA ASN 24 -38.359 -13.233 28.003 57 HB2 ASN 24 HB1 ASN 24 -39.301 -11.393 29.934 58 HB3 ASN 24 HB2 ASN 24 -38.312 -10.466 28.799 59 HD21 ASN 24 HD21 ASN 24 -41.327 -11.772 29.366 60 HD22 ASN 24 HD22 ASN 24 -41.985 -11.621 27.776 61 H ASN 25 H ASN 25 -37.120 -12.221 26.394 62 HA ASN 25 HA ASN 25 -34.463 -11.293 27.270 63 HB2 ASN 25 HB1 ASN 25 -35.196 -13.121 24.976 64 HB3 ASN 25 HB2 ASN 25 -33.632 -12.304 25.081 65 HD21 ASN 25 HD21 ASN 25 -35.439 -14.985 26.026 66 HD22 ASN 25 HD22 ASN 25 -34.316 -15.658 27.152 67 H ILE 26 H ILE 26 -33.316 -10.095 25.422 68 HA ILE 26 HA ILE 26 -35.237 -8.463 23.904 69 HB ILE 26 HB ILE 26 -33.751 -6.483 24.335 70 HG12 ILE 26 HG11 ILE 26 -32.757 -7.772 26.816 71 HG13 ILE 26 HG12 ILE 26 -31.967 -8.260 25.306 72 HG21 ILE 26 HG21 ILE 26 -34.573 -6.271 26.788 73 HG22 ILE 26 HG22 ILE 26 -35.753 -6.399 25.486 74 HG23 ILE 26 HG23 ILE 26 -35.369 -7.812 26.468 75 HD11 ILE 26 HD11 ILE 26 -31.130 -6.196 26.755 76 HD12 ILE 26 HD12 ILE 26 -30.981 -6.253 24.998 77 HD13 ILE 26 HD13 ILE 26 -32.307 -5.359 25.742 78 H ARG 27 H ARG 27 -34.338 -7.395 22.033 79 HA ARG 27 HA ARG 27 -31.714 -8.235 21.124 80 HB2 ARG 27 HB1 ARG 27 -34.276 -9.285 20.009 81 HB3 ARG 27 HB2 ARG 27 -32.961 -8.924 18.883 82 HG2 ARG 27 HG1 ARG 27 -31.471 -10.430 20.094 83 HG3 ARG 27 HG2 ARG 27 -32.772 -10.782 21.244 84 HD2 ARG 27 HD1 ARG 27 -34.053 -11.335 18.934 85 HD3 ARG 27 HD2 ARG 27 -32.389 -11.719 18.469 86 HE ARG 27 HE ARG 27 -32.943 -12.926 20.943 87 HH11 ARG 27 HH11 ARG 27 -33.818 -13.173 17.583 88 HH12 ARG 27 HH12 ARG 27 -34.158 -14.870 17.662 89 HH21 ARG 27 HH21 ARG 27 -33.388 -15.160 21.061 90 HH22 ARG 27 HH22 ARG 27 -33.915 -15.999 19.642 91 H SER 28 H SER 28 -30.860 -6.919 19.534 92 HA SER 28 HA SER 28 -32.503 -4.946 18.210 93 HB2 SER 28 HB1 SER 28 -30.441 -4.139 20.279 94 HB3 SER 28 HB2 SER 28 -31.137 -3.027 19.089 95 HG SER 28 HG SER 28 -32.132 -3.362 21.356 96 H SER 29 H SER 29 -31.186 -3.563 16.738 97 HA SER 29 HA SER 29 -28.532 -4.525 16.092 98 HB2 SER 29 HB1 SER 29 -28.987 -5.315 13.903 99 HB3 SER 29 HB2 SER 29 -30.218 -6.063 14.936 100 HG SER 29 HG SER 29 -31.737 -4.897 14.014 101 H ALA 30 H ALA 30 -27.722 -3.340 14.049 102 HA ALA 30 HA ALA 30 -28.916 -0.934 13.215 103 HB1 ALA 30 HB1 ALA 30 -28.595 0.184 15.174 104 HB2 ALA 30 HB2 ALA 30 -27.188 -0.778 15.625 105 HB3 ALA 30 HB3 ALA 30 -27.034 0.495 14.413 106 H ASP 31 H ASP 31 -27.860 -0.103 11.474 107 HA ASP 31 HA ASP 31 -25.088 -0.354 10.992 108 HB2 ASP 31 HB1 ASP 31 -25.997 -2.758 10.683 109 HB3 ASP 31 HB2 ASP 31 -26.704 -2.136 9.187 110 HD2 ASP 31 HD ASP 31 -22.739 -1.983 9.257 111 H LEU 32 H LEU 32 -25.243 1.785 10.396 112 HA LEU 32 HA LEU 32 -26.887 2.398 8.038 113 HB2 LEU 32 HB1 LEU 32 -25.656 4.220 10.112 114 HB3 LEU 32 HB2 LEU 32 -26.555 4.768 8.686 115 HG LEU 32 HG LEU 32 -27.842 2.955 10.697 116 HD11 LEU 32 HD11 LEU 32 -27.946 5.954 10.850 117 HD12 LEU 32 HD12 LEU 32 -26.824 4.990 11.811 118 HD13 LEU 32 HD13 LEU 32 -28.563 4.773 12.007 119 HD21 LEU 32 HD21 LEU 32 -29.362 5.082 9.394 120 HD22 LEU 32 HD22 LEU 32 -29.723 3.364 9.556 121 HD23 LEU 32 HD23 LEU 32 -28.654 3.923 8.270 122 H HIS 33 H HIS 33 -25.950 2.862 6.151 123 HA HIS 33 HA HIS 33 -23.509 4.189 5.806 124 HB2 HIS 33 HB1 HIS 33 -23.178 1.475 6.508 125 HB3 HIS 33 HB2 HIS 33 -22.834 1.584 4.779 126 HD1 HIS 33 HD1 HIS 33 -21.091 1.705 7.811 127 HD2 HIS 33 HD2 HIS 33 -20.989 4.031 4.370 128 HE1 HIS 33 HE1 HIS 33 -18.860 2.864 7.849 129 HE2 HIS 33 HE2 HIS 33 -18.796 4.286 5.747 130 H GLY 34 H GLY 34 -23.317 4.874 3.733 131 HA2 GLY 34 HA2 GLY 34 -24.015 3.547 1.411 132 HA3 GLY 34 HA3 GLY 34 -25.474 4.373 1.940 133 HA1 GLY 34 HA1 GLY 34 -23.382 4.026 1.797 134 H ALA 35 H ALA 35 -22.198 4.780 0.784 135 HA ALA 35 HA ALA 35 -22.852 7.213 -0.534 136 HB1 ALA 35 HB1 ALA 35 -21.784 7.397 2.155 137 HB2 ALA 35 HB2 ALA 35 -20.762 8.219 0.975 138 HB3 ALA 35 HB3 ALA 35 -22.465 8.653 1.121 139 H ARG 36 H ARG 36 -21.705 7.156 -2.343 140 HA ARG 36 HA ARG 36 -18.883 6.627 -2.340 141 HB2 ARG 36 HB1 ARG 36 -19.875 4.335 -2.299 142 HB3 ARG 36 HB2 ARG 36 -20.673 4.705 -3.834 143 HG2 ARG 36 HG1 ARG 36 -18.341 5.195 -4.750 144 HG3 ARG 36 HG2 ARG 36 -17.742 4.388 -3.292 145 HD2 ARG 36 HD1 ARG 36 -19.810 2.782 -4.462 146 HD3 ARG 36 HD2 ARG 36 -18.622 3.207 -5.701 147 HE ARG 36 HE ARG 36 -17.316 2.336 -3.345 148 HH11 ARG 36 HH11 ARG 36 -19.142 1.162 -6.067 149 HH12 ARG 36 HH12 ARG 36 -18.412 -0.410 -6.045 150 HH21 ARG 36 HH21 ARG 36 -16.348 0.271 -3.306 151 HH22 ARG 36 HH22 ARG 36 -16.824 -0.916 -4.473 152 H LYS 37 H LYS 37 -19.140 8.826 -3.156 153 HA LYS 37 HA LYS 37 -19.050 8.883 -6.012 154 HB2 LYS 37 HB1 LYS 37 -21.505 8.932 -5.607 155 HB3 LYS 37 HB2 LYS 37 -21.284 10.421 -4.676 156 HG2 LYS 37 HG1 LYS 37 -20.927 11.707 -6.519 157 HG3 LYS 37 HG2 LYS 37 -20.213 10.370 -7.439 158 HD2 LYS 37 HD1 LYS 37 -22.156 10.036 -8.469 159 HD3 LYS 37 HD2 LYS 37 -22.909 9.682 -6.904 160 HE2 LYS 37 HE1 LYS 37 -23.220 12.152 -6.574 161 HE3 LYS 37 HE2 LYS 37 -22.653 12.374 -8.235 162 HZ1 LYS 37 HZ1 LYS 37 -25.187 11.300 -7.272 163 HZ2 LYS 37 HZ2 LYS 37 -24.544 10.592 -8.667 164 HZ3 LYS 37 HZ3 LYS 37 -24.863 12.254 -8.632 165 H GLY 38 H GLY 38 -17.903 10.618 -6.757 166 HA2 GLY 38 HA2 GLY 38 -17.441 13.068 -6.312 167 HA3 GLY 38 HA3 GLY 38 -17.010 12.535 -4.695 168 HA1 GLY 38 HA1 GLY 38 -17.242 12.361 -6.801 169 H SER 39 H SER 39 -14.880 12.857 -4.540 170 HA SER 39 HA SER 39 -13.052 12.712 -6.673 171 HB2 SER 39 HB1 SER 39 -12.859 12.887 -3.700 172 HB3 SER 39 HB2 SER 39 -11.410 12.380 -4.588 173 HG SER 39 HG SER 39 -12.201 14.820 -4.233 174 H GLN 40 H GLN 40 -10.981 11.215 -6.261 175 HA GLN 40 HA GLN 40 -11.848 8.578 -6.889 176 HB2 GLN 40 HB1 GLN 40 -9.446 10.099 -7.086 177 HB3 GLN 40 HB2 GLN 40 -9.073 8.592 -6.235 178 HG2 GLN 40 HG1 GLN 40 -10.610 7.677 -8.291 179 HG3 GLN 40 HG2 GLN 40 -9.772 9.044 -9.038 180 HE21 GLN 40 HE21 GLN 40 -9.598 5.903 -8.900 181 HE22 GLN 40 HE22 GLN 40 -7.891 5.641 -8.870 182 H CYS 41 H CYS 41 -9.679 9.677 -4.275 183 HA CYS 41 HA CYS 41 -10.940 7.708 -2.498 184 HB2 CYS 41 HB1 CYS 41 -8.806 6.973 -1.650 185 HB3 CYS 41 HB2 CYS 41 -8.823 6.768 -3.402 186 H LEU 42 H LEU 42 -11.168 8.333 -0.395 187 HA LEU 42 HA LEU 42 -10.587 11.137 0.173 188 HB2 LEU 42 HB1 LEU 42 -12.389 9.074 1.414 189 HB3 LEU 42 HB2 LEU 42 -12.003 10.586 2.251 190 HG LEU 42 HG LEU 42 -12.841 11.397 -0.273 191 HD11 LEU 42 HD11 LEU 42 -15.185 10.254 -0.169 192 HD12 LEU 42 HD12 LEU 42 -14.300 8.958 0.634 193 HD13 LEU 42 HD13 LEU 42 -13.844 9.459 -0.994 194 HD21 LEU 42 HD21 LEU 42 -14.082 11.318 2.452 195 HD22 LEU 42 HD22 LEU 42 -14.961 11.988 1.078 196 HD23 LEU 42 HD23 LEU 42 -13.419 12.692 1.566 197 H SER 43 H SER 43 -9.589 7.951 1.069 198 HA SER 43 HA SER 43 -7.386 8.990 2.584 199 HB2 SER 43 HB1 SER 43 -9.668 8.626 4.062 200 HB3 SER 43 HB2 SER 43 -8.857 7.062 4.254 201 HG SER 43 HG SER 43 -8.198 8.580 5.845 202 H ASP 44 H ASP 44 -6.532 6.782 3.906 203 HA ASP 44 HA ASP 44 -5.469 5.183 1.856 204 HB2 ASP 44 HB1 ASP 44 -4.656 3.719 3.707 205 HB3 ASP 44 HB2 ASP 44 -4.277 5.432 3.938 206 HD2 ASP 44 HD ASP 44 -5.927 5.486 6.924 207 H THR 45 H THR 45 -8.447 5.017 3.534 208 HA THR 45 HA THR 45 -9.068 2.331 3.568 209 HB THR 45 HB THR 45 -11.107 4.360 2.693 210 HG1 THR 45 HG1 THR 45 -11.101 5.256 4.657 211 HG21 THR 45 HG21 THR 45 -11.291 1.698 3.338 212 HG22 THR 45 HG22 THR 45 -12.620 2.856 3.392 213 HG23 THR 45 HG23 THR 45 -11.710 2.489 4.857 214 H ASP 46 H ASP 46 -9.099 4.566 0.849 215 HA ASP 46 HA ASP 46 -10.236 2.604 -0.947 216 HB2 ASP 46 HB1 ASP 46 -10.141 5.370 -0.919 217 HB3 ASP 46 HB2 ASP 46 -8.988 4.937 -2.189 218 HD2 ASP 46 HD ASP 46 -12.797 3.973 -2.779 219 H CYS 47 H CYS 47 -7.091 3.805 -0.058 220 HA CYS 47 HA CYS 47 -5.870 1.759 -1.759 221 HB2 CYS 47 HB1 CYS 47 -5.275 4.705 -1.805 222 HB3 CYS 47 HB2 CYS 47 -4.016 3.536 -2.207 223 H ASN 48 H ASN 48 -5.292 0.508 -0.029 224 HA ASN 48 HA ASN 48 -3.308 1.688 1.798 225 HB2 ASN 48 HB1 ASN 48 -5.819 0.803 2.556 226 HB3 ASN 48 HB2 ASN 48 -4.780 -0.581 2.913 227 HD21 ASN 48 HD21 ASN 48 -6.090 0.865 4.884 228 HD22 ASN 48 HD22 ASN 48 -4.914 1.674 5.858 229 H THR 49 H THR 49 -3.118 0.111 -0.736 230 HA THR 49 HA THR 49 -1.118 -1.757 0.197 231 HB THR 49 HB THR 49 -2.875 -3.317 0.286 232 HG1 THR 49 HG1 THR 49 -2.126 -3.757 -2.389 233 HG21 THR 49 HG21 THR 49 -3.843 -2.258 -2.375 234 HG22 THR 49 HG22 THR 49 -4.590 -1.945 -0.808 235 HG23 THR 49 HG23 THR 49 -4.566 -3.582 -1.461 236 H ARG 50 H ARG 50 0.574 -1.244 -1.018 237 HA ARG 50 HA ARG 50 1.866 -0.628 -2.789 238 HB2 ARG 50 HB1 ARG 50 -0.238 -2.017 -4.459 239 HB3 ARG 50 HB2 ARG 50 1.464 -1.759 -4.871 240 HG2 ARG 50 HG1 ARG 50 2.197 -3.313 -3.219 241 HG3 ARG 50 HG2 ARG 50 0.565 -3.434 -2.543 242 HD2 ARG 50 HD1 ARG 50 -0.196 -4.794 -4.216 243 HD3 ARG 50 HD2 ARG 50 0.893 -4.083 -5.417 244 HE ARG 50 HE ARG 50 1.428 -6.340 -3.721 245 HH11 ARG 50 HH11 ARG 50 2.843 -3.757 -5.578 246 HH12 ARG 50 HH12 ARG 50 4.355 -4.571 -5.802 247 HH21 ARG 50 HH21 ARG 50 3.415 -7.422 -4.010 248 HH22 ARG 50 HH22 ARG 50 4.680 -6.656 -4.911 249 H LYS 51 H LYS 51 -0.423 1.101 -1.961 250 HA LYS 51 HA LYS 51 -0.257 2.942 -4.187 251 HB2 LYS 51 HB1 LYS 51 -2.748 1.485 -3.464 252 HB3 LYS 51 HB2 LYS 51 -2.900 3.210 -3.833 253 HG2 LYS 51 HG1 LYS 51 -1.845 2.852 -6.013 254 HG3 LYS 51 HG2 LYS 51 -1.699 1.124 -5.645 255 HD2 LYS 51 HD1 LYS 51 -4.348 1.518 -5.174 256 HD3 LYS 51 HD2 LYS 51 -4.050 2.690 -6.469 257 HE2 LYS 51 HE1 LYS 51 -3.291 1.018 -7.965 258 HE3 LYS 51 HE2 LYS 51 -3.135 -0.167 -6.660 259 HZ1 LYS 51 HZ1 LYS 51 -5.407 -0.484 -6.553 260 HZ2 LYS 51 HZ2 LYS 51 -5.156 -0.296 -8.216 261 HZ3 LYS 51 HZ3 LYS 51 -5.769 0.989 -7.302 262 H PHE 52 H PHE 52 -1.157 5.081 -3.637 263 HA PHE 52 HA PHE 52 -1.511 5.544 -0.769 264 HB2 PHE 52 HB1 PHE 52 0.065 7.443 -0.822 265 HB3 PHE 52 HB2 PHE 52 0.863 5.906 -1.157 266 HD1 PHE 52 HD1 PHE 52 -0.278 9.061 -2.641 267 HD2 PHE 52 HD2 PHE 52 1.851 5.432 -3.280 268 HE1 PHE 52 HE1 PHE 52 0.640 9.973 -4.734 269 HE2 PHE 52 HE2 PHE 52 2.773 6.337 -5.374 270 HZ PHE 52 HZ PHE 52 2.169 8.611 -6.103 271 H CYS 53 H CYS 53 -2.957 7.111 -0.291 272 HA CYS 53 HA CYS 53 -4.501 8.213 -2.460 273 HB2 CYS 53 HB1 CYS 53 -5.383 7.323 -0.210 274 HB3 CYS 53 HB2 CYS 53 -4.858 8.870 0.457 275 H LEU 54 H LEU 54 -3.216 9.709 -3.507 276 HA LEU 54 HA LEU 54 -1.825 11.778 -2.094 277 HB2 LEU 54 HB1 LEU 54 -1.085 10.859 -4.276 278 HB3 LEU 54 HB2 LEU 54 -2.511 11.599 -5.023 279 HG LEU 54 HG LEU 54 -1.468 13.798 -3.962 280 HD11 LEU 54 HD11 LEU 54 1.036 12.308 -4.648 281 HD12 LEU 54 HD12 LEU 54 0.403 12.306 -3.002 282 HD13 LEU 54 HD13 LEU 54 0.844 13.829 -3.775 283 HD21 LEU 54 HD21 LEU 54 -1.793 13.958 -6.204 284 HD22 LEU 54 HD22 LEU 54 -1.039 12.399 -6.540 285 HD23 LEU 54 HD23 LEU 54 -0.036 13.812 -6.206 286 H GLN 55 H GLN 55 -2.387 13.893 -1.800 287 HA GLN 55 HA GLN 55 -5.005 14.771 -2.795 288 HB2 GLN 55 HB1 GLN 55 -5.374 15.874 -0.541 289 HB3 GLN 55 HB2 GLN 55 -5.523 14.110 -0.581 290 HG2 GLN 55 HG1 GLN 55 -3.816 13.797 0.826 291 HG3 GLN 55 HG2 GLN 55 -2.829 15.039 0.043 292 HE21 GLN 55 HE21 GLN 55 -3.974 17.327 0.367 293 HE22 GLN 55 HE22 GLN 55 -4.299 17.697 2.023 294 HA PRO 56 HA PRO 56 -1.864 17.973 -3.722 295 HB2 PRO 56 HB1 PRO 56 -3.055 18.768 -6.058 296 HB3 PRO 56 HB2 PRO 56 -1.959 17.390 -5.943 297 HG2 PRO 56 HG1 PRO 56 -4.959 17.441 -5.923 298 HG3 PRO 56 HG2 PRO 56 -3.842 16.354 -6.832 299 HD2 PRO 56 HD1 PRO 56 -5.108 15.582 -4.559 300 HD3 PRO 56 HD2 PRO 56 -3.485 15.017 -4.989 301 H ARG 57 H ARG 57 -1.988 20.198 -3.508 302 HA ARG 57 HA ARG 57 -4.405 21.196 -2.278 303 HB2 ARG 57 HB1 ARG 57 -1.782 21.675 -1.812 304 HB3 ARG 57 HB2 ARG 57 -2.180 23.061 -2.839 305 HG2 ARG 57 HG1 ARG 57 -4.149 23.469 -1.266 306 HG3 ARG 57 HG2 ARG 57 -3.345 22.326 -0.176 307 HD2 ARG 57 HD1 ARG 57 -1.923 23.894 0.524 308 HD3 ARG 57 HD2 ARG 57 -1.437 24.234 -1.142 309 HE ARG 57 HE ARG 57 -3.946 25.431 -0.484 310 HH11 ARG 57 HH11 ARG 57 -0.494 25.787 -0.205 311 HH12 ARG 57 HH12 ARG 57 -0.552 27.513 -0.062 312 HH21 ARG 57 HH21 ARG 57 -4.036 27.703 -0.297 313 HH22 ARG 57 HH22 ARG 57 -2.567 28.602 -0.114 314 H ASP 58 H ASP 58 -2.785 21.422 -5.337 315 HA ASP 58 HA ASP 58 -4.403 23.677 -6.209 316 HB2 ASP 58 HB1 ASP 58 -2.094 22.144 -7.344 317 HB3 ASP 58 HB2 ASP 58 -3.135 23.060 -8.442 318 HD2 ASP 58 HD ASP 58 -0.536 25.011 -6.291 319 H GLU 59 H GLU 59 -4.395 20.234 -6.366 320 HA GLU 59 HA GLU 59 -6.688 20.331 -8.215 321 HB2 GLU 59 HB1 GLU 59 -4.229 18.808 -8.370 322 HB3 GLU 59 HB2 GLU 59 -5.637 17.738 -8.328 323 HG2 GLU 59 HG1 GLU 59 -6.515 18.578 -10.306 324 HG3 GLU 59 HG2 GLU 59 -5.570 20.069 -10.195 325 HE2 GLU 59 HE GLU 59 -3.671 16.837 -11.530 326 H LYS 60 H LYS 60 -7.799 17.971 -8.025 327 HA LYS 60 HA LYS 60 -8.772 17.889 -5.298 328 HB2 LYS 60 HB1 LYS 60 -9.702 16.987 -7.942 329 HB3 LYS 60 HB2 LYS 60 -10.105 15.893 -6.609 330 HG2 LYS 60 HG1 LYS 60 -11.455 17.440 -5.550 331 HG3 LYS 60 HG2 LYS 60 -10.670 18.813 -6.352 332 HD2 LYS 60 HD1 LYS 60 -11.905 18.600 -8.262 333 HD3 LYS 60 HD2 LYS 60 -12.076 16.846 -8.075 334 HE2 LYS 60 HE1 LYS 60 -14.008 17.034 -6.946 335 HE3 LYS 60 HE2 LYS 60 -13.378 18.351 -5.945 336 HZ1 LYS 60 HZ1 LYS 60 -14.445 19.834 -7.177 337 HZ2 LYS 60 HZ2 LYS 60 -15.218 18.561 -7.977 338 HZ3 LYS 60 HZ3 LYS 60 -13.799 19.223 -8.616 339 HA PRO 61 HA PRO 61 -6.640 14.323 -3.890 340 HB2 PRO 61 HB1 PRO 61 -8.572 12.995 -2.474 341 HB3 PRO 61 HB2 PRO 61 -7.829 14.498 -1.931 342 HG2 PRO 61 HG1 PRO 61 -10.429 14.070 -3.364 343 HG3 PRO 61 HG2 PRO 61 -10.070 15.118 -1.940 344 HD2 PRO 61 HD1 PRO 61 -10.308 16.101 -4.459 345 HD3 PRO 61 HD2 PRO 61 -9.192 16.787 -3.266 346 H PHE 62 H PHE 62 -6.031 12.440 -4.765 347 HA PHE 62 HA PHE 62 -7.941 10.540 -5.781 348 HB2 PHE 62 HB1 PHE 62 -7.255 10.524 -8.067 349 HB3 PHE 62 HB2 PHE 62 -7.649 12.194 -7.658 350 HD1 PHE 62 HD1 PHE 62 -5.659 13.687 -6.877 351 HD2 PHE 62 HD2 PHE 62 -5.234 10.090 -9.112 352 HE1 PHE 62 HE1 PHE 62 -3.438 14.425 -7.636 353 HE2 PHE 62 HE2 PHE 62 -3.012 10.822 -9.875 354 HZ PHE 62 HZ PHE 62 -2.111 12.992 -9.136 355 H CYS 63 H CYS 63 -7.073 8.482 -6.071 356 HA CYS 63 HA CYS 63 -4.685 7.957 -4.592 357 HB2 CYS 63 HB1 CYS 63 -6.592 6.425 -4.527 358 HB3 CYS 63 HB2 CYS 63 -6.412 6.111 -6.255 359 H ALA 64 H ALA 64 -2.681 8.033 -5.338 360 HA ALA 64 HA ALA 64 -2.233 7.838 -8.236 361 HB1 ALA 64 HB1 ALA 64 -1.031 9.413 -6.091 362 HB2 ALA 64 HB2 ALA 64 0.148 8.666 -7.170 363 HB3 ALA 64 HB3 ALA 64 -1.102 9.724 -7.826 364 H THR 65 H THR 65 -1.366 6.052 -9.039 365 HA THR 65 HA THR 65 -0.744 3.779 -7.607 366 HB THR 65 HB THR 65 0.792 4.233 -10.115 367 HG1 THR 65 HG1 THR 65 -2.049 4.200 -9.940 368 HG21 THR 65 HG21 THR 65 0.913 2.019 -9.684 369 HG22 THR 65 HG22 THR 65 -0.681 1.981 -10.438 370 HG23 THR 65 HG23 THR 65 -0.536 2.031 -8.681 371 H CYS 66 H CYS 66 1.242 2.731 -7.103 372 HA CYS 66 HA CYS 66 3.083 4.236 -5.699 373 HB2 CYS 66 HB1 CYS 66 2.711 1.498 -6.364 374 HB3 CYS 66 HB2 CYS 66 4.396 1.896 -6.708 375 H ARG 67 H ARG 67 5.509 4.260 -6.160 376 HA ARG 67 HA ARG 67 5.978 5.002 -8.973 377 HB2 ARG 67 HB1 ARG 67 7.195 6.334 -6.544 378 HB3 ARG 67 HB2 ARG 67 7.425 6.804 -8.235 379 HG2 ARG 67 HG1 ARG 67 4.697 6.890 -7.985 380 HG3 ARG 67 HG2 ARG 67 5.253 7.437 -6.394 381 HD2 ARG 67 HD1 ARG 67 6.210 9.341 -7.212 382 HD3 ARG 67 HD2 ARG 67 6.620 8.583 -8.758 383 HE ARG 67 HE ARG 67 3.795 8.985 -8.355 384 HH11 ARG 67 HH11 ARG 67 6.767 10.370 -9.524 385 HH12 ARG 67 HH12 ARG 67 5.979 11.490 -10.586 386 HH21 ARG 67 HH21 ARG 67 2.746 10.455 -9.749 387 HH22 ARG 67 HH22 ARG 67 3.693 11.538 -10.712 388 H GLY 68 H GLY 68 8.165 4.754 -9.734 389 HA2 GLY 68 HA2 GLY 68 9.375 2.343 -8.757 390 HA3 GLY 68 HA3 GLY 68 9.943 3.326 -10.099 391 HA1 GLY 68 HA1 GLY 68 9.208 2.951 -8.139 392 H LEU 69 H LEU 69 11.932 2.408 -8.760 393 HA LEU 69 HA LEU 69 12.686 3.713 -6.384 394 HB2 LEU 69 HB1 LEU 69 14.503 2.607 -8.530 395 HB3 LEU 69 HB2 LEU 69 14.914 2.900 -6.832 396 HG LEU 69 HG LEU 69 13.045 0.792 -7.906 397 HD11 LEU 69 HD11 LEU 69 15.196 -0.012 -8.202 398 HD12 LEU 69 HD12 LEU 69 14.764 -0.636 -6.611 399 HD13 LEU 69 HD13 LEU 69 15.804 0.781 -6.750 400 HD21 LEU 69 HD21 LEU 69 12.987 0.072 -5.481 401 HD22 LEU 69 HD22 LEU 69 12.062 1.519 -5.886 402 HD23 LEU 69 HD23 LEU 69 13.628 1.667 -5.088 403 H ARG 70 H ARG 70 13.929 4.263 -9.686 404 HA ARG 70 HA ARG 70 15.399 6.538 -9.193 405 HB2 ARG 70 HB1 ARG 70 13.917 5.552 -11.612 406 HB3 ARG 70 HB2 ARG 70 14.726 7.125 -11.647 407 HG2 ARG 70 HG1 ARG 70 16.668 5.466 -10.614 408 HG3 ARG 70 HG2 ARG 70 15.851 4.451 -11.813 409 HD2 ARG 70 HD1 ARG 70 16.528 7.247 -12.596 410 HD3 ARG 70 HD2 ARG 70 17.847 6.074 -12.466 411 HE ARG 70 HE ARG 70 15.846 4.877 -13.974 412 HH11 ARG 70 HH11 ARG 70 17.973 7.624 -14.197 413 HH12 ARG 70 HH12 ARG 70 18.041 7.596 -15.928 414 HH21 ARG 70 HH21 ARG 70 15.928 4.830 -16.253 415 HH22 ARG 70 HH22 ARG 70 16.877 6.007 -17.096 416 H ARG 71 H ARG 71 11.945 6.188 -9.468 417 HA ARG 71 HA ARG 71 11.197 8.826 -9.976 418 HB2 ARG 71 HB1 ARG 71 9.923 6.394 -9.191 419 HB3 ARG 71 HB2 ARG 71 9.334 7.695 -8.147 420 HG2 ARG 71 HG1 ARG 71 7.920 7.377 -10.129 421 HG3 ARG 71 HG2 ARG 71 8.652 8.990 -10.066 422 HD2 ARG 71 HD1 ARG 71 10.190 8.502 -11.771 423 HD3 ARG 71 HD2 ARG 71 9.952 6.759 -11.589 424 HE ARG 71 HE ARG 71 7.520 7.921 -12.364 425 HH11 ARG 71 HH11 ARG 71 10.698 7.276 -13.629 426 HH12 ARG 71 HH12 ARG 71 10.163 7.156 -15.272 427 HH21 ARG 71 HH21 ARG 71 6.803 7.767 -14.524 428 HH22 ARG 71 HH22 ARG 71 7.947 7.437 -15.780 429 H ARG 72 H ARG 72 10.812 10.601 -8.706 430 HA ARG 72 HA ARG 72 12.353 10.854 -6.331 431 HB2 ARG 72 HB1 ARG 72 10.382 12.644 -7.743 432 HB3 ARG 72 HB2 ARG 72 11.114 13.106 -6.200 433 HG2 ARG 72 HG1 ARG 72 13.210 12.253 -7.910 434 HG3 ARG 72 HG2 ARG 72 12.178 13.371 -8.817 435 HD2 ARG 72 HD1 ARG 72 13.125 14.004 -6.029 436 HD3 ARG 72 HD2 ARG 72 14.104 14.365 -7.456 437 HE ARG 72 HE ARG 72 11.766 15.768 -6.572 438 HH11 ARG 72 HH11 ARG 72 13.720 14.956 -9.336 439 HH12 ARG 72 HH12 ARG 72 13.225 16.339 -10.255 440 HH21 ARG 72 HH21 ARG 72 11.107 17.592 -7.772 441 HH22 ARG 72 HH22 ARG 72 11.740 17.838 -9.364 442 H CYS 73 H CYS 73 11.509 11.573 -4.237 443 HA CYS 73 HA CYS 73 8.758 10.939 -3.603 444 HB2 CYS 73 HB1 CYS 73 9.195 9.206 -2.016 445 HB3 CYS 73 HB2 CYS 73 9.962 8.737 -3.534 446 H GLN 74 H GLN 74 8.045 11.942 -1.762 447 HA GLN 74 HA GLN 74 10.026 13.622 -0.372 448 HB2 GLN 74 HB1 GLN 74 7.314 14.139 -1.410 449 HB3 GLN 74 HB2 GLN 74 7.631 14.785 0.208 450 HG2 GLN 74 HG1 GLN 74 9.885 15.521 -1.187 451 HG3 GLN 74 HG2 GLN 74 8.592 15.688 -2.383 452 HE21 GLN 74 HE21 GLN 74 6.668 16.921 -1.678 453 HE22 GLN 74 HE22 GLN 74 6.915 18.294 -0.658 454 H ARG 75 H ARG 75 7.687 11.148 -0.025 455 HA ARG 75 HA ARG 75 7.923 11.334 2.907 456 HB2 ARG 75 HB1 ARG 75 5.606 11.743 1.721 457 HB3 ARG 75 HB2 ARG 75 5.587 9.975 1.627 458 HG2 ARG 75 HG1 ARG 75 5.892 9.860 4.077 459 HG3 ARG 75 HG2 ARG 75 5.799 11.629 4.134 460 HD2 ARG 75 HD1 ARG 75 3.555 10.940 2.677 461 HD3 ARG 75 HD2 ARG 75 3.671 9.653 3.885 462 HE ARG 75 HE ARG 75 4.000 12.212 5.079 463 HH11 ARG 75 HH11 ARG 75 1.607 10.032 3.796 464 HH12 ARG 75 HH12 ARG 75 0.323 10.656 4.778 465 HH21 ARG 75 HH21 ARG 75 2.318 13.041 6.377 466 HH22 ARG 75 HH22 ARG 75 0.728 12.368 6.246 467 H ASP 76 H ASP 76 7.911 9.309 4.053 468 HA ASP 76 HA ASP 76 9.404 7.276 2.655 469 HB2 ASP 76 HB1 ASP 76 9.297 6.137 4.960 470 HB3 ASP 76 HB2 ASP 76 10.185 7.662 4.836 471 HD2 ASP 76 HD ASP 76 8.215 9.062 7.240 472 H ALA 77 H ALA 77 6.137 7.770 3.710 473 HA ALA 77 HA ALA 77 5.382 4.994 3.443 474 HB1 ALA 77 HB1 ALA 77 3.458 7.286 3.620 475 HB2 ALA 77 HB2 ALA 77 3.261 5.626 4.181 476 HB3 ALA 77 HB3 ALA 77 4.349 6.722 5.034 477 H MET 78 H MET 78 4.920 7.998 1.617 478 HA MET 78 HA MET 78 3.213 7.100 -0.361 479 HB2 MET 78 HB1 MET 78 4.003 8.910 -1.729 480 HB3 MET 78 HB2 MET 78 3.972 9.455 -0.045 481 HG2 MET 78 HG1 MET 78 6.062 10.150 -0.324 482 HG3 MET 78 HG2 MET 78 6.526 8.447 -0.366 483 HE1 MET 78 HE1 MET 78 5.128 11.336 -2.298 484 HE2 MET 78 HE2 MET 78 5.868 11.258 -3.897 485 HE3 MET 78 HE3 MET 78 4.475 10.243 -3.519 486 H CYS 79 H CYS 79 6.588 6.428 0.105 487 HA CYS 79 HA CYS 79 6.960 5.359 -2.559 488 HB2 CYS 79 HB1 CYS 79 8.766 6.519 -1.230 489 HB3 CYS 79 HB2 CYS 79 8.806 5.099 -0.181 490 H CYS 80 H CYS 80 6.916 3.259 -3.158 491 HA CYS 80 HA CYS 80 5.403 1.396 -1.799 492 HB2 CYS 80 HB1 CYS 80 7.191 1.393 -4.117 493 HB3 CYS 80 HB2 CYS 80 7.126 -0.168 -3.295 494 HA PRO 81 HA PRO 81 7.883 -0.405 1.341 495 HB2 PRO 81 HB1 PRO 81 7.109 -3.030 1.240 496 HB3 PRO 81 HB2 PRO 81 6.082 -1.737 1.853 497 HG2 PRO 81 HG1 PRO 81 6.125 -3.002 -0.866 498 HG3 PRO 81 HG2 PRO 81 4.714 -2.600 0.182 499 HD2 PRO 81 HD1 PRO 81 5.463 -1.057 -1.923 500 HD3 PRO 81 HD2 PRO 81 4.756 -0.383 -0.446 501 H GLY 82 H GLY 82 9.665 -1.817 1.781 502 HA2 GLY 82 HA2 GLY 82 11.480 -3.164 1.251 503 HA3 GLY 82 HA3 GLY 82 10.807 -3.386 -0.357 504 HA1 GLY 82 HA1 GLY 82 11.377 -2.298 1.378 505 H THR 83 H THR 83 11.064 -0.145 0.700 506 HA THR 83 HA THR 83 13.697 0.220 -0.508 507 HB THR 83 HB THR 83 12.819 2.135 -1.889 508 HG1 THR 83 HG1 THR 83 10.420 1.100 -0.877 509 HG21 THR 83 HG21 THR 83 12.048 -0.713 -2.457 510 HG22 THR 83 HG22 THR 83 13.395 0.220 -3.111 511 HG23 THR 83 HG23 THR 83 11.746 0.573 -3.625 512 H LEU 84 H LEU 84 14.499 2.466 -0.227 513 HA LEU 84 HA LEU 84 13.279 3.805 2.092 514 HB2 LEU 84 HB1 LEU 84 16.097 2.898 1.679 515 HB3 LEU 84 HB2 LEU 84 15.791 4.376 2.608 516 HG LEU 84 HG LEU 84 16.080 2.471 4.084 517 HD11 LEU 84 HD11 LEU 84 13.156 3.086 4.175 518 HD12 LEU 84 HD12 LEU 84 14.347 4.352 4.472 519 HD13 LEU 84 HD13 LEU 84 14.307 2.920 5.500 520 HD21 LEU 84 HD21 LEU 84 13.552 1.195 3.236 521 HD22 LEU 84 HD22 LEU 84 15.026 0.477 3.886 522 HD23 LEU 84 HD23 LEU 84 14.953 0.956 2.189 523 H CYS 85 H CYS 85 12.977 5.926 1.848 524 HA CYS 85 HA CYS 85 13.558 7.207 -0.613 525 HB2 CYS 85 HB1 CYS 85 12.231 7.905 1.930 526 HB3 CYS 85 HB2 CYS 85 12.945 9.269 1.066 527 H VAL 86 H VAL 86 15.442 7.996 -1.249 528 HA VAL 86 HA VAL 86 17.150 9.369 0.697 529 HB VAL 86 HB VAL 86 18.168 7.277 -1.232 530 HG11 VAL 86 HG11 VAL 86 19.656 8.988 0.757 531 HG12 VAL 86 HG12 VAL 86 20.356 7.705 -0.233 532 HG13 VAL 86 HG13 VAL 86 19.709 9.157 -0.998 533 HG21 VAL 86 HG21 VAL 86 18.876 6.115 0.861 534 HG22 VAL 86 HG22 VAL 86 17.932 7.293 1.773 535 HG23 VAL 86 HG23 VAL 86 17.129 6.207 0.641 536 H ASN 87 H ASN 87 18.108 11.171 -0.078 537 HA ASN 87 HA ASN 87 18.510 12.933 -1.461 538 HB2 ASN 87 HB1 ASN 87 19.877 10.879 -2.477 539 HB3 ASN 87 HB2 ASN 87 18.771 11.140 -3.829 540 HD21 ASN 87 HD21 ASN 87 20.335 11.860 -5.225 541 HD22 ASN 87 HD22 ASN 87 21.125 13.386 -5.047 542 H ASP 88 H ASP 88 15.786 12.186 -1.113 543 HA ASP 88 HA ASP 88 13.725 12.739 -1.904 544 HB2 ASP 88 HB1 ASP 88 15.373 14.716 -2.818 545 HB3 ASP 88 HB2 ASP 88 14.677 14.117 -4.329 546 HD2 ASP 88 HD ASP 88 12.392 16.182 -1.891 547 H VAL 89 H VAL 89 15.191 10.346 -2.859 548 HA VAL 89 HA VAL 89 13.401 9.717 -5.077 549 HB VAL 89 HB VAL 89 16.382 9.243 -5.217 550 HG11 VAL 89 HG11 VAL 89 15.860 8.359 -7.488 551 HG12 VAL 89 HG12 VAL 89 15.240 7.364 -6.169 552 HG13 VAL 89 HG13 VAL 89 14.149 8.421 -7.065 553 HG21 VAL 89 HG21 VAL 89 16.028 11.493 -5.778 554 HG22 VAL 89 HG22 VAL 89 16.094 10.653 -7.327 555 HG23 VAL 89 HG23 VAL 89 14.538 11.132 -6.649 556 H CYS 90 H CYS 90 12.784 7.584 -5.169 557 HA CYS 90 HA CYS 90 12.993 6.065 -2.796 558 HB2 CYS 90 HB1 CYS 90 11.911 5.521 -5.549 559 HB3 CYS 90 HB2 CYS 90 11.992 4.229 -4.350 560 H THR 91 H THR 91 14.895 5.253 -2.166 561 HA THR 91 HA THR 91 16.521 3.813 -4.157 562 HB THR 91 HB THR 91 17.406 5.095 -1.563 563 HG1 THR 91 HG1 THR 91 17.711 5.790 -4.301 564 HG21 THR 91 HG21 THR 91 18.975 3.585 -3.656 565 HG22 THR 91 HG22 THR 91 18.706 3.097 -1.983 566 HG23 THR 91 HG23 THR 91 19.689 4.517 -2.340 567 H THR 92 H THR 92 16.298 1.686 -4.016 568 HA THR 92 HA THR 92 15.063 0.254 -2.010 569 HB THR 92 HB THR 92 17.138 -1.377 -3.153 570 HG1 THR 92 HG1 THR 92 17.312 -0.518 -5.070 571 HG21 THR 92 HG21 THR 92 14.491 -1.607 -2.520 572 HG22 THR 92 HG22 THR 92 15.403 -2.774 -3.479 573 HG23 THR 92 HG23 THR 92 14.434 -1.537 -4.281 574 H MET 93 H MET 93 15.987 -1.343 -0.506 575 HA MET 93 HA MET 93 17.853 -0.134 1.248 576 HB2 MET 93 HB1 MET 93 16.133 -2.467 1.223 577 HB3 MET 93 HB2 MET 93 17.712 -2.844 1.929 578 HG2 MET 93 HG1 MET 93 16.743 -0.334 2.955 579 HG3 MET 93 HG2 MET 93 15.536 -1.604 3.170 580 HE1 MET 93 HE1 MET 93 17.490 0.069 5.517 581 HE2 MET 93 HE2 MET 93 19.000 -0.797 5.796 582 HE3 MET 93 HE3 MET 93 18.710 -0.007 4.246 583 H GLU 94 H GLU 94 18.091 -2.792 -1.075 584 HA GLU 94 HA GLU 94 20.621 -3.735 -0.467 585 HB2 GLU 94 HB1 GLU 94 19.250 -3.483 -3.152 586 HB3 GLU 94 HB2 GLU 94 20.741 -4.401 -2.884 587 HG2 GLU 94 HG1 GLU 94 18.375 -5.015 -1.181 588 HG3 GLU 94 HG2 GLU 94 18.383 -5.564 -2.862 589 HE2 GLU 94 HE GLU 94 21.385 -7.046 -0.734 590 H ASP 95 H ASP 95 19.677 -0.922 -2.359 591 HA ASP 95 HA ASP 95 22.408 -0.326 -3.109 592 HB2 ASP 95 HB1 ASP 95 20.252 0.149 -4.479 593 HB3 ASP 95 HB2 ASP 95 20.096 1.565 -3.432 594 HD2 ASP 95 HD ASP 95 22.112 2.350 -6.409 595 H ALA 96 H ALA 96 19.920 1.082 -1.004 596 HA ALA 96 HA ALA 96 21.490 3.230 -0.062 597 HB1 ALA 96 HB1 ALA 96 19.781 2.944 1.952 598 HB2 ALA 96 HB2 ALA 96 19.296 3.617 0.395 599 HB3 ALA 96 HB3 ALA 96 18.959 1.927 0.768 600 H THR 97 H THR 97 22.997 3.369 1.487 601 HA THR 97 HA THR 97 23.407 1.048 3.252 602 HB THR 97 HB THR 97 25.930 1.834 3.071 603 HG1 THR 97 HG1 THR 97 25.210 3.522 1.508 604 HG21 THR 97 HG21 THR 97 26.270 -0.118 1.987 605 HG22 THR 97 HG22 THR 97 25.166 0.299 0.677 606 HG23 THR 97 HG23 THR 97 24.533 -0.320 2.201 607 H GLU 98 H GLU 98 22.786 1.818 5.184 608 HA GLU 98 HA GLU 98 24.233 4.113 6.256 609 HB2 GLU 98 HB1 GLU 98 22.182 5.103 7.196 610 HB3 GLU 98 HB2 GLU 98 22.170 5.092 5.425 611 HG2 GLU 98 HG1 GLU 98 20.307 3.889 5.349 612 HG3 GLU 98 HG2 GLU 98 20.959 2.699 6.484 613 HE2 GLU 98 HE GLU 98 18.580 5.531 7.876 614 H ASN 99 H ASN 99 23.472 4.376 8.691 615 HA ASN 99 HA ASN 99 23.068 1.736 9.897 616 HB2 ASN 99 HB1 ASN 99 25.572 2.943 9.752 617 HB3 ASN 99 HB2 ASN 99 25.006 3.328 11.382 618 HD21 ASN 99 HD21 ASN 99 25.751 0.738 9.158 619 HD22 ASN 99 HD22 ASN 99 25.931 -0.496 10.353 620 H LEU 100 H LEU 100 22.585 1.889 12.251 621 HA LEU 100 HA LEU 100 20.660 3.987 12.694 622 HB2 LEU 100 HB1 LEU 100 21.476 1.489 14.126 623 HB3 LEU 100 HB2 LEU 100 20.533 2.720 14.982 624 HG LEU 100 HG LEU 100 18.987 2.456 12.820 625 HD11 LEU 100 HD11 LEU 100 20.796 0.560 12.220 626 HD12 LEU 100 HD12 LEU 100 19.104 0.490 11.724 627 HD13 LEU 100 HD13 LEU 100 19.642 -0.398 13.149 628 HD21 LEU 100 HD21 LEU 100 18.885 0.463 15.073 629 HD22 LEU 100 HD22 LEU 100 17.538 1.125 14.146 630 HD23 LEU 100 HD23 LEU 100 18.436 2.159 15.258 631 H TYR 101 H TYR 101 20.587 5.139 14.814 632 HA TYR 101 HA TYR 101 23.255 6.184 15.424 633 HB2 TYR 101 HB1 TYR 101 20.638 7.352 15.135 634 HB3 TYR 101 HB2 TYR 101 21.274 7.711 16.742 635 HD1 TYR 101 HD1 TYR 101 22.596 9.583 17.013 636 HD2 TYR 101 HD2 TYR 101 22.416 7.741 13.182 637 HE1 TYR 101 HE1 TYR 101 23.998 11.381 16.090 638 HE2 TYR 101 HE2 TYR 101 23.819 9.533 12.248 639 HH TYR 101 HH TYR 101 24.229 12.175 13.090 640 H PHE 102 H PHE 102 23.325 7.085 17.807 641 HA PHE 102 HA PHE 102 22.088 5.283 19.722 642 HB2 PHE 102 HB1 PHE 102 24.115 4.461 20.674 643 HB3 PHE 102 HB2 PHE 102 24.209 4.171 18.937 644 HD1 PHE 102 HD1 PHE 102 25.603 5.646 17.498 645 HD2 PHE 102 HD2 PHE 102 25.702 5.858 21.748 646 HE1 PHE 102 HE1 PHE 102 27.747 6.849 17.385 647 HE2 PHE 102 HE2 PHE 102 27.846 7.061 21.642 648 HZ PHE 102 HZ PHE 102 28.870 7.559 19.457 649 H GLN 103 H GLN 103 22.233 6.016 21.896 650 HA GLN 103 HA GLN 103 23.172 8.791 22.184 651 HB2 GLN 103 HB1 GLN 103 21.240 9.150 23.743 652 HB3 GLN 103 HB2 GLN 103 20.788 8.910 22.049 653 HG2 GLN 103 HG1 GLN 103 19.396 7.309 22.670 654 HG3 GLN 103 HG2 GLN 103 20.787 6.362 23.216 655 HE21 GLN 103 HE21 GLN 103 17.900 7.524 24.155 656 HE22 GLN 103 HE22 GLN 103 18.144 7.606 25.864 657 H SER 104 H SER 104 24.290 9.274 24.002 658 HA SER 104 HA SER 104 24.292 7.426 26.250 659 HB2 SER 104 HB1 SER 104 26.270 7.237 24.263 660 HB3 SER 104 HB2 SER 104 27.034 8.101 25.610 661 HG SER 104 HG SER 104 27.306 6.054 26.204 662 H LEU 105 H LEU 105 26.340 8.383 27.722 663 HA LEU 105 HA LEU 105 25.334 10.919 28.582 664 HB2 LEU 105 HB1 LEU 105 27.001 8.831 29.627 665 HB3 LEU 105 HB2 LEU 105 27.805 10.397 29.835 666 HG LEU 105 HG LEU 105 25.124 10.726 30.676 667 HD11 LEU 105 HD11 LEU 105 25.332 8.152 30.815 668 HD12 LEU 105 HD12 LEU 105 24.694 9.037 32.199 669 HD13 LEU 105 HD13 LEU 105 26.365 8.476 32.207 670 HD21 LEU 105 HD21 LEU 105 26.268 11.035 32.897 671 HD22 LEU 105 HD22 LEU 105 26.895 12.021 31.576 672 HD23 LEU 105 HD23 LEU 105 27.774 10.583 32.097 673 H GLU 106 H GLU 106 25.839 12.786 27.662 674 HA GLU 106 HA GLU 106 28.520 13.635 27.308 675 HB2 GLU 106 HB1 GLU 106 28.357 13.992 24.811 676 HB3 GLU 106 HB2 GLU 106 28.576 12.314 25.336 677 HG2 GLU 106 HG1 GLU 106 26.430 11.694 24.760 678 HG3 GLU 106 HG2 GLU 106 25.826 13.355 24.847 679 HE2 GLU 106 HE GLU 106 26.060 13.363 21.421 680 H HIS 107 H HIS 107 28.429 15.735 25.764 681 HA HIS 107 HA HIS 107 27.705 17.882 25.558 682 HB2 HIS 107 HB1 HIS 107 25.369 16.236 25.231 683 HB3 HIS 107 HB2 HIS 107 24.925 17.727 26.067 684 HD1 HIS 107 HD1 HIS 107 24.780 16.583 22.845 685 HD2 HIS 107 HD2 HIS 107 26.535 19.969 24.492 686 HE1 HIS 107 HE1 HIS 107 24.998 18.218 20.947 687 HE2 HIS 107 HE2 HIS 107 26.071 20.288 21.953 688 H HIS 108 H HIS 108 28.588 18.869 27.306 689 HA HIS 108 HA HIS 108 27.199 18.712 29.876 690 HB2 HIS 108 HB1 HIS 108 29.884 18.706 29.216 691 HB3 HIS 108 HB2 HIS 108 29.614 20.360 29.774 692 HD1 HIS 108 HD1 HIS 108 30.127 20.601 32.169 693 HD2 HIS 108 HD2 HIS 108 28.539 16.858 31.313 694 HE1 HIS 108 HE1 HIS 108 30.039 19.388 34.370 695 HE2 HIS 108 HE2 HIS 108 29.067 17.101 33.848 696 H HIS 109 H HIS 109 27.784 21.070 31.052 697 HA HIS 109 HA HIS 109 25.816 22.804 30.010 698 HB2 HIS 109 HB1 HIS 109 27.988 23.371 32.044 699 HB3 HIS 109 HB2 HIS 109 26.563 24.376 31.760 700 HD1 HIS 109 HD1 HIS 109 27.165 23.056 34.522 701 HD2 HIS 109 HD2 HIS 109 24.608 21.503 31.640 702 HE1 HIS 109 HE1 HIS 109 25.576 21.559 35.770 703 HE2 HIS 109 HE2 HIS 109 24.012 20.610 34.009 704 H HIS 110 H HIS 110 26.150 25.076 29.397 705 HA HIS 110 HA HIS 110 28.739 25.696 28.206 706 HB2 HIS 110 HB1 HIS 110 26.724 24.600 26.647 707 HB3 HIS 110 HB2 HIS 110 26.565 26.336 26.365 708 HD1 HIS 110 HD1 HIS 110 28.737 23.446 25.595 709 HD2 HIS 110 HD2 HIS 110 28.835 27.576 25.163 710 HE1 HIS 110 HE1 HIS 110 30.603 23.909 23.974 711 HE2 HIS 110 HE2 HIS 110 30.664 26.433 23.708 712 H HIS 111 H HIS 111 28.566 27.974 27.128 713 HA HIS 111 HA HIS 111 28.381 30.209 27.523 714 HB2 HIS 111 HB1 HIS 111 25.589 29.199 27.993 715 HB3 HIS 111 HB2 HIS 111 25.969 30.908 28.225 716 HD1 HIS 111 HD1 HIS 111 24.628 28.833 25.745 717 HD2 HIS 111 HD2 HIS 111 27.470 31.862 25.699 718 HE1 HIS 111 HE1 HIS 111 24.733 29.619 23.358 719 HE2 HIS 111 HE2 HIS 111 26.470 31.471 23.329 720 H HIS 112 H HIS 112 29.421 28.643 29.667 721 HA HIS 112 HA HIS 112 29.001 30.524 31.830 722 HB2 HIS 112 HB1 HIS 112 27.416 28.356 31.917 723 HB3 HIS 112 HB2 HIS 112 28.855 27.683 32.689 724 HD1 HIS 112 HD1 HIS 112 29.735 29.037 34.855 725 HD2 HIS 112 HD2 HIS 112 25.865 29.866 33.594 726 HE1 HIS 112 HE1 HIS 112 28.619 30.167 36.806 727 HE2 HIS 112 HE2 HIS 112 26.253 30.674 36.036 Start of MODEL 52 1 H1 MET 18 H MET 18 -37.473 17.364 54.806 2 HA MET 18 HA MET 18 -39.570 19.052 55.828 3 HB2 MET 18 HB1 MET 18 -36.941 20.001 56.009 4 HB3 MET 18 HB2 MET 18 -37.627 20.803 54.587 5 HG2 MET 18 HG1 MET 18 -39.552 21.538 55.976 6 HG3 MET 18 HG2 MET 18 -38.741 20.838 57.380 7 HE1 MET 18 HE1 MET 18 -35.697 22.295 57.894 8 HE2 MET 18 HE2 MET 18 -36.833 23.259 58.839 9 HE3 MET 18 HE3 MET 18 -37.134 21.540 58.582 10 H LEU 19 H LEU 19 -40.209 20.694 54.029 11 HA LEU 19 HA LEU 19 -39.813 19.474 51.383 12 HB2 LEU 19 HB1 LEU 19 -42.202 19.894 50.882 13 HB3 LEU 19 HB2 LEU 19 -41.936 18.686 52.152 14 HG LEU 19 HG LEU 19 -42.380 21.432 53.117 15 HD11 LEU 19 HD11 LEU 19 -44.241 20.134 51.264 16 HD12 LEU 19 HD12 LEU 19 -44.122 21.821 51.763 17 HD13 LEU 19 HD13 LEU 19 -44.962 20.656 52.786 18 HD21 LEU 19 HD21 LEU 19 -43.451 18.705 53.831 19 HD22 LEU 19 HD22 LEU 19 -43.844 20.194 54.691 20 HD23 LEU 19 HD23 LEU 19 -42.182 19.603 54.666 21 H VAL 20 H VAL 20 -38.234 21.400 51.601 22 HA VAL 20 HA VAL 20 -39.291 24.037 51.394 23 HB VAL 20 HB VAL 20 -36.993 23.582 52.176 24 HG11 VAL 20 HG11 VAL 20 -35.241 22.984 50.631 25 HG12 VAL 20 HG12 VAL 20 -36.508 21.756 50.574 26 HG13 VAL 20 HG13 VAL 20 -36.385 22.958 49.289 27 HG21 VAL 20 HG21 VAL 20 -37.883 25.666 50.613 28 HG22 VAL 20 HG22 VAL 20 -36.391 25.644 51.555 29 HG23 VAL 20 HG23 VAL 20 -36.362 25.209 49.846 30 H LEU 21 H LEU 21 -39.699 25.288 49.624 31 HA LEU 21 HA LEU 21 -40.124 23.887 47.126 32 HB2 LEU 21 HB1 LEU 21 -40.970 26.457 48.332 33 HB3 LEU 21 HB2 LEU 21 -40.817 26.424 46.567 34 HG LEU 21 HG LEU 21 -43.111 26.005 47.254 35 HD11 LEU 21 HD11 LEU 21 -43.208 24.779 45.411 36 HD12 LEU 21 HD12 LEU 21 -42.812 23.352 46.367 37 HD13 LEU 21 HD13 LEU 21 -41.526 24.287 45.608 38 HD21 LEU 21 HD21 LEU 21 -41.876 23.753 48.820 39 HD22 LEU 21 HD22 LEU 21 -43.589 23.796 48.398 40 HD23 LEU 21 HD23 LEU 21 -42.896 25.066 49.408 41 H ASP 22 H ASP 22 -39.170 24.371 45.160 42 HA ASP 22 HA ASP 22 -36.865 26.198 45.231 43 HB2 ASP 22 HB1 ASP 22 -36.044 23.896 45.442 44 HB3 ASP 22 HB2 ASP 22 -36.920 23.447 43.973 45 HD2 ASP 22 HD ASP 22 -34.277 24.409 42.045 46 H PHE 23 H PHE 23 -36.815 27.617 43.612 47 HA PHE 23 HA PHE 23 -38.906 27.891 41.785 48 HB2 PHE 23 HB1 PHE 23 -37.531 29.605 40.699 49 HB3 PHE 23 HB2 PHE 23 -37.476 29.763 42.456 50 HD1 PHE 23 HD1 PHE 23 -35.565 28.758 39.488 51 HD2 PHE 23 HD2 PHE 23 -35.461 29.417 43.692 52 HE1 PHE 23 HE1 PHE 23 -33.106 28.673 39.437 53 HE2 PHE 23 HE2 PHE 23 -33.001 29.334 43.647 54 HZ PHE 23 HZ PHE 23 -31.821 28.962 41.518 55 H ASN 24 H ASN 24 -39.157 27.394 39.636 56 HA ASN 24 HA ASN 24 -37.828 25.067 38.688 57 HB2 ASN 24 HB1 ASN 24 -39.899 26.939 37.602 58 HB3 ASN 24 HB2 ASN 24 -39.102 25.812 36.496 59 HD21 ASN 24 HD21 ASN 24 -41.564 25.302 36.502 60 HD22 ASN 24 HD22 ASN 24 -42.028 23.998 37.536 61 H ASN 25 H ASN 25 -36.461 24.823 36.893 62 HA ASN 25 HA ASN 25 -35.200 27.271 35.873 63 HB2 ASN 25 HB1 ASN 25 -32.986 26.388 36.165 64 HB3 ASN 25 HB2 ASN 25 -33.821 26.277 37.719 65 HD21 ASN 25 HD21 ASN 25 -33.722 24.417 38.744 66 HD22 ASN 25 HD22 ASN 25 -33.340 22.886 38.040 67 H ILE 26 H ILE 26 -34.498 27.184 33.763 68 HA ILE 26 HA ILE 26 -34.691 24.649 32.324 69 HB ILE 26 HB ILE 26 -36.184 25.380 30.683 70 HG12 ILE 26 HG11 ILE 26 -35.228 27.565 30.252 71 HG13 ILE 26 HG12 ILE 26 -36.976 27.723 30.500 72 HG21 ILE 26 HG21 ILE 26 -37.183 26.522 33.289 73 HG22 ILE 26 HG22 ILE 26 -38.186 26.113 31.898 74 HG23 ILE 26 HG23 ILE 26 -37.320 24.844 32.763 75 HD11 ILE 26 HD11 ILE 26 -36.431 28.320 32.907 76 HD12 ILE 26 HD12 ILE 26 -34.764 28.507 32.362 77 HD13 ILE 26 HD13 ILE 26 -36.037 29.513 31.671 78 H ARG 27 H ARG 27 -33.988 24.996 29.964 79 HA ARG 27 HA ARG 27 -32.259 27.214 29.422 80 HB2 ARG 27 HB1 ARG 27 -30.998 25.577 31.014 81 HB3 ARG 27 HB2 ARG 27 -30.840 24.577 29.563 82 HG2 ARG 27 HG1 ARG 27 -30.052 27.063 28.675 83 HG3 ARG 27 HG2 ARG 27 -29.412 26.990 30.327 84 HD2 ARG 27 HD1 ARG 27 -29.046 24.643 28.500 85 HD3 ARG 27 HD2 ARG 27 -28.010 26.066 28.322 86 HE ARG 27 HE ARG 27 -27.952 25.431 31.002 87 HH11 ARG 27 HH11 ARG 27 -27.138 23.857 28.007 88 HH12 ARG 27 HH12 ARG 27 -25.884 22.887 28.706 89 HH21 ARG 27 HH21 ARG 27 -26.302 24.162 31.935 90 HH22 ARG 27 HH22 ARG 27 -25.409 23.061 30.940 91 H SER 28 H SER 28 -32.322 27.547 27.303 92 HA SER 28 HA SER 28 -33.543 25.644 25.554 93 HB2 SER 28 HB1 SER 28 -32.268 28.351 25.114 94 HB3 SER 28 HB2 SER 28 -32.922 27.380 23.782 95 HG SER 28 HG SER 28 -34.246 28.975 25.428 96 H SER 29 H SER 29 -32.370 25.478 23.257 97 HA SER 29 HA SER 29 -29.533 25.067 23.382 98 HB2 SER 29 HB1 SER 29 -29.919 22.553 22.678 99 HB3 SER 29 HB2 SER 29 -29.861 23.009 24.389 100 HG SER 29 HG SER 29 -32.341 23.100 23.114 101 H ALA 30 H ALA 30 -29.575 26.449 21.588 102 HA ALA 30 HA ALA 30 -31.132 26.016 19.276 103 HB1 ALA 30 HB1 ALA 30 -30.193 27.910 18.529 104 HB2 ALA 30 HB2 ALA 30 -29.518 28.024 20.155 105 HB3 ALA 30 HB3 ALA 30 -28.554 27.339 18.846 106 H ASP 31 H ASP 31 -30.941 24.561 17.709 107 HA ASP 31 HA ASP 31 -28.776 22.678 17.712 108 HB2 ASP 31 HB1 ASP 31 -31.240 23.053 16.017 109 HB3 ASP 31 HB2 ASP 31 -30.007 21.859 15.593 110 HD2 ASP 31 HD ASP 31 -32.063 21.194 18.932 111 H LEU 32 H LEU 32 -27.126 24.405 17.365 112 HA LEU 32 HA LEU 32 -26.818 24.994 14.494 113 HB2 LEU 32 HB1 LEU 32 -26.615 26.674 16.834 114 HB3 LEU 32 HB2 LEU 32 -25.086 26.654 15.938 115 HG LEU 32 HG LEU 32 -27.269 27.039 14.115 116 HD11 LEU 32 HD11 LEU 32 -28.369 28.889 14.906 117 HD12 LEU 32 HD12 LEU 32 -27.085 29.306 16.040 118 HD13 LEU 32 HD13 LEU 32 -28.170 27.963 16.393 119 HD21 LEU 32 HD21 LEU 32 -25.903 29.316 14.006 120 HD22 LEU 32 HD22 LEU 32 -25.289 27.816 13.312 121 HD23 LEU 32 HD23 LEU 32 -24.727 28.350 14.896 122 H HIS 33 H HIS 33 -25.617 23.264 13.851 123 HA HIS 33 HA HIS 33 -22.858 23.210 14.745 124 HB2 HIS 33 HB1 HIS 33 -22.817 20.826 15.215 125 HB3 HIS 33 HB2 HIS 33 -23.982 21.628 16.272 126 HD1 HIS 33 HD1 HIS 33 -26.451 21.013 16.026 127 HD2 HIS 33 HD2 HIS 33 -23.986 19.118 13.271 128 HE1 HIS 33 HE1 HIS 33 -27.877 19.239 14.958 129 HE2 HIS 33 HE2 HIS 33 -26.371 18.080 13.273 130 H GLY 34 H GLY 34 -21.556 21.633 13.393 131 HA2 GLY 34 HA2 GLY 34 -21.369 20.373 11.351 132 HA3 GLY 34 HA3 GLY 34 -22.753 21.258 10.728 133 HA1 GLY 34 HA1 GLY 34 -20.952 20.989 11.826 134 H ALA 35 H ALA 35 -19.341 21.169 11.045 135 HA ALA 35 HA ALA 35 -18.961 23.904 10.155 136 HB1 ALA 35 HB1 ALA 35 -16.503 23.069 10.078 137 HB2 ALA 35 HB2 ALA 35 -17.292 23.311 11.637 138 HB3 ALA 35 HB3 ALA 35 -17.133 21.685 10.970 139 H ARG 36 H ARG 36 -17.790 20.762 8.929 140 HA ARG 36 HA ARG 36 -18.449 21.629 6.210 141 HB2 ARG 36 HB1 ARG 36 -15.738 20.845 7.240 142 HB3 ARG 36 HB2 ARG 36 -16.173 20.555 5.549 143 HG2 ARG 36 HG1 ARG 36 -15.655 22.642 5.036 144 HG3 ARG 36 HG2 ARG 36 -16.881 23.225 6.174 145 HD2 ARG 36 HD1 ARG 36 -15.173 22.919 8.014 146 HD3 ARG 36 HD2 ARG 36 -13.983 22.639 6.735 147 HE ARG 36 HE ARG 36 -15.065 25.155 7.547 148 HH11 ARG 36 HH11 ARG 36 -13.754 23.391 4.847 149 HH12 ARG 36 HH12 ARG 36 -13.208 24.811 4.018 150 HH21 ARG 36 HH21 ARG 36 -14.351 27.031 6.465 151 HH22 ARG 36 HH22 ARG 36 -13.549 26.881 4.939 152 H LYS 37 H LYS 37 -17.964 19.711 4.646 153 HA LYS 37 HA LYS 37 -18.317 17.095 5.838 154 HB2 LYS 37 HB1 LYS 37 -20.613 18.226 5.645 155 HB3 LYS 37 HB2 LYS 37 -20.414 18.042 3.896 156 HG2 LYS 37 HG1 LYS 37 -20.637 15.764 3.952 157 HG3 LYS 37 HG2 LYS 37 -20.047 15.648 5.620 158 HD2 LYS 37 HD1 LYS 37 -22.236 16.977 6.187 159 HD3 LYS 37 HD2 LYS 37 -22.775 16.345 4.621 160 HE2 LYS 37 HE1 LYS 37 -23.488 14.622 5.932 161 HE3 LYS 37 HE2 LYS 37 -21.828 14.080 5.644 162 HZ1 LYS 37 HZ1 LYS 37 -22.132 15.844 7.912 163 HZ2 LYS 37 HZ2 LYS 37 -21.266 14.399 7.773 164 HZ3 LYS 37 HZ3 LYS 37 -22.932 14.362 8.071 165 H GLY 38 H GLY 38 -17.695 15.435 4.498 166 HA2 GLY 38 HA2 GLY 38 -17.551 14.820 2.023 167 HA3 GLY 38 HA3 GLY 38 -16.582 16.282 1.901 168 HA1 GLY 38 HA1 GLY 38 -17.399 14.567 2.855 169 H SER 39 H SER 39 -16.328 13.067 1.952 170 HA SER 39 HA SER 39 -13.570 13.181 2.895 171 HB2 SER 39 HB1 SER 39 -15.617 12.087 4.492 172 HB3 SER 39 HB2 SER 39 -14.760 10.703 3.793 173 HG SER 39 HG SER 39 -13.774 12.738 5.465 174 H GLN 40 H GLN 40 -12.434 12.507 1.210 175 HA GLN 40 HA GLN 40 -13.560 10.764 -0.784 176 HB2 GLN 40 HB1 GLN 40 -11.504 12.675 -0.697 177 HB3 GLN 40 HB2 GLN 40 -10.705 11.131 -1.032 178 HG2 GLN 40 HG1 GLN 40 -11.252 12.242 -3.103 179 HG3 GLN 40 HG2 GLN 40 -12.212 10.767 -2.927 180 HE21 GLN 40 HE21 GLN 40 -13.724 11.575 -4.415 181 HE22 GLN 40 HE22 GLN 40 -14.876 12.779 -3.965 182 H CYS 41 H CYS 41 -10.826 10.549 1.487 183 HA CYS 41 HA CYS 41 -11.225 7.663 1.634 184 HB2 CYS 41 HB1 CYS 41 -8.936 7.111 1.185 185 HB3 CYS 41 HB2 CYS 41 -9.532 8.082 -0.162 186 H LEU 42 H LEU 42 -10.648 6.772 3.581 187 HA LEU 42 HA LEU 42 -10.257 8.622 5.755 188 HB2 LEU 42 HB1 LEU 42 -11.344 6.023 5.418 189 HB3 LEU 42 HB2 LEU 42 -10.018 5.903 6.589 190 HG LEU 42 HG LEU 42 -11.123 7.729 7.902 191 HD11 LEU 42 HD11 LEU 42 -13.125 8.633 7.339 192 HD12 LEU 42 HD12 LEU 42 -13.668 7.186 6.490 193 HD13 LEU 42 HD13 LEU 42 -12.530 8.288 5.715 194 HD21 LEU 42 HD21 LEU 42 -11.366 5.223 8.286 195 HD22 LEU 42 HD22 LEU 42 -12.950 5.374 7.526 196 HD23 LEU 42 HD23 LEU 42 -12.592 6.267 9.004 197 H SER 43 H SER 43 -8.325 6.383 3.927 198 HA SER 43 HA SER 43 -5.910 7.430 5.056 199 HB2 SER 43 HB1 SER 43 -5.156 4.963 5.623 200 HB3 SER 43 HB2 SER 43 -6.038 5.933 6.815 201 HG SER 43 HG SER 43 -7.103 4.021 6.739 202 H ASP 44 H ASP 44 -3.961 6.214 4.126 203 HA ASP 44 HA ASP 44 -4.157 6.209 1.326 204 HB2 ASP 44 HB1 ASP 44 -2.018 5.018 3.113 205 HB3 ASP 44 HB2 ASP 44 -1.854 5.284 1.372 206 HD2 ASP 44 HD ASP 44 -1.802 8.487 3.720 207 H THR 45 H THR 45 -4.601 3.699 3.676 208 HA THR 45 HA THR 45 -4.251 1.477 1.937 209 HB THR 45 HB THR 45 -5.656 0.273 3.717 210 HG1 THR 45 HG1 THR 45 -6.705 2.027 4.644 211 HG21 THR 45 HG21 THR 45 -3.045 0.667 3.550 212 HG22 THR 45 HG22 THR 45 -3.768 -0.102 4.963 213 HG23 THR 45 HG23 THR 45 -3.332 1.605 5.016 214 H ASP 46 H ASP 46 -6.862 3.671 2.538 215 HA ASP 46 HA ASP 46 -8.981 2.040 1.585 216 HB2 ASP 46 HB1 ASP 46 -9.047 4.255 2.967 217 HB3 ASP 46 HB2 ASP 46 -9.012 5.034 1.380 218 HD2 ASP 46 HD ASP 46 -12.423 3.844 2.622 219 H CYS 47 H CYS 47 -6.561 3.984 0.040 220 HA CYS 47 HA CYS 47 -7.735 4.529 -2.412 221 HB2 CYS 47 HB1 CYS 47 -5.189 4.753 -1.286 222 HB3 CYS 47 HB2 CYS 47 -4.955 3.730 -2.704 223 H ASN 48 H ASN 48 -5.858 1.657 -1.463 224 HA ASN 48 HA ASN 48 -7.438 -0.111 -2.995 225 HB2 ASN 48 HB1 ASN 48 -5.355 1.248 -4.431 226 HB3 ASN 48 HB2 ASN 48 -4.954 -0.471 -4.316 227 HD21 ASN 48 HD21 ASN 48 -5.338 -1.064 -6.378 228 HD22 ASN 48 HD22 ASN 48 -6.890 -0.997 -7.135 229 H THR 49 H THR 49 -3.922 0.024 -2.437 230 HA THR 49 HA THR 49 -4.065 -1.779 -0.206 231 HB THR 49 HB THR 49 -2.604 -2.847 -2.612 232 HG1 THR 49 HG1 THR 49 -4.532 -4.301 -2.692 233 HG21 THR 49 HG21 THR 49 -3.756 -4.502 -0.417 234 HG22 THR 49 HG22 THR 49 -2.299 -3.564 -0.089 235 HG23 THR 49 HG23 THR 49 -2.305 -4.762 -1.382 236 H ARG 50 H ARG 50 -1.682 -1.105 -2.777 237 HA ARG 50 HA ARG 50 0.138 -0.109 -0.684 238 HB2 ARG 50 HB1 ARG 50 0.674 -1.627 -3.233 239 HB3 ARG 50 HB2 ARG 50 1.945 -0.717 -2.404 240 HG2 ARG 50 HG1 ARG 50 2.147 -2.221 -0.738 241 HG3 ARG 50 HG2 ARG 50 0.410 -2.573 -0.714 242 HD2 ARG 50 HD1 ARG 50 2.071 -3.462 -3.047 243 HD3 ARG 50 HD2 ARG 50 2.105 -4.381 -1.536 244 HE ARG 50 HE ARG 50 -0.569 -3.948 -2.234 245 HH11 ARG 50 HH11 ARG 50 2.223 -5.690 -3.373 246 HH12 ARG 50 HH12 ARG 50 1.295 -6.948 -4.119 247 HH21 ARG 50 HH21 ARG 50 -1.802 -5.600 -3.213 248 HH22 ARG 50 HH22 ARG 50 -0.994 -6.896 -4.028 249 H LYS 51 H LYS 51 -1.598 1.714 -1.587 250 HA LYS 51 HA LYS 51 0.091 3.445 -3.253 251 HB2 LYS 51 HB1 LYS 51 -2.827 2.806 -3.646 252 HB3 LYS 51 HB2 LYS 51 -2.129 4.323 -4.236 253 HG2 LYS 51 HG1 LYS 51 -1.795 3.142 -6.119 254 HG3 LYS 51 HG2 LYS 51 -0.359 2.567 -5.252 255 HD2 LYS 51 HD1 LYS 51 -1.964 0.735 -4.321 256 HD3 LYS 51 HD2 LYS 51 -2.974 1.182 -5.706 257 HE2 LYS 51 HE1 LYS 51 -0.394 0.939 -6.760 258 HE3 LYS 51 HE2 LYS 51 -0.561 -0.408 -5.624 259 HZ1 LYS 51 HZ1 LYS 51 -1.940 0.075 -8.132 260 HZ2 LYS 51 HZ2 LYS 51 -2.898 -0.547 -6.883 261 HZ3 LYS 51 HZ3 LYS 51 -1.519 -1.387 -7.390 262 H PHE 52 H PHE 52 -0.360 5.734 -2.996 263 HA PHE 52 HA PHE 52 -1.358 6.324 -0.297 264 HB2 PHE 52 HB1 PHE 52 -0.066 8.478 -0.582 265 HB3 PHE 52 HB2 PHE 52 0.909 7.008 -0.520 266 HD1 PHE 52 HD1 PHE 52 2.534 6.658 -2.111 267 HD2 PHE 52 HD2 PHE 52 -0.719 9.252 -3.010 268 HE1 PHE 52 HE1 PHE 52 3.595 7.240 -4.253 269 HE2 PHE 52 HE2 PHE 52 0.336 9.838 -5.153 270 HZ PHE 52 HZ PHE 52 2.495 8.831 -5.778 271 H CYS 53 H CYS 53 -2.693 8.142 0.066 272 HA CYS 53 HA CYS 53 -4.541 8.646 -2.100 273 HB2 CYS 53 HB1 CYS 53 -4.805 8.441 0.631 274 HB3 CYS 53 HB2 CYS 53 -4.908 10.183 0.374 275 H LEU 54 H LEU 54 -3.642 9.983 -3.596 276 HA LEU 54 HA LEU 54 -2.177 12.344 -2.835 277 HB2 LEU 54 HB1 LEU 54 -2.091 10.765 -5.010 278 HB3 LEU 54 HB2 LEU 54 -3.175 12.034 -5.602 279 HG LEU 54 HG LEU 54 -0.863 12.457 -6.255 280 HD11 LEU 54 HD11 LEU 54 -0.652 14.751 -5.242 281 HD12 LEU 54 HD12 LEU 54 -2.059 14.356 -4.254 282 HD13 LEU 54 HD13 LEU 54 -2.199 14.396 -6.012 283 HD21 LEU 54 HD21 LEU 54 0.874 12.196 -4.892 284 HD22 LEU 54 HD22 LEU 54 -0.247 11.502 -3.721 285 HD23 LEU 54 HD23 LEU 54 0.144 13.221 -3.655 286 H GLN 55 H GLN 55 -3.215 14.054 -2.053 287 HA GLN 55 HA GLN 55 -5.693 14.909 -3.391 288 HB2 GLN 55 HB1 GLN 55 -6.387 15.841 -1.138 289 HB3 GLN 55 HB2 GLN 55 -6.419 14.078 -1.295 290 HG2 GLN 55 HG1 GLN 55 -4.790 13.759 0.224 291 HG3 GLN 55 HG2 GLN 55 -3.903 15.205 -0.276 292 HE21 GLN 55 HE21 GLN 55 -6.713 14.101 1.535 293 HE22 GLN 55 HE22 GLN 55 -6.762 15.438 2.628 294 HA PRO 56 HA PRO 56 -2.674 18.335 -3.752 295 HB2 PRO 56 HB1 PRO 56 -3.637 19.211 -6.164 296 HB3 PRO 56 HB2 PRO 56 -2.475 17.894 -5.998 297 HG2 PRO 56 HG1 PRO 56 -5.454 17.774 -6.331 298 HG3 PRO 56 HG2 PRO 56 -4.174 16.814 -7.163 299 HD2 PRO 56 HD1 PRO 56 -5.643 15.825 -5.104 300 HD3 PRO 56 HD2 PRO 56 -3.948 15.381 -5.371 301 H ARG 57 H ARG 57 -2.963 20.542 -3.455 302 HA ARG 57 HA ARG 57 -5.555 21.319 -2.440 303 HB2 ARG 57 HB1 ARG 57 -2.809 22.182 -2.130 304 HB3 ARG 57 HB2 ARG 57 -3.872 23.561 -2.450 305 HG2 ARG 57 HG1 ARG 57 -5.295 22.953 -0.576 306 HG3 ARG 57 HG2 ARG 57 -4.288 21.528 -0.270 307 HD2 ARG 57 HD1 ARG 57 -3.108 22.813 1.130 308 HD3 ARG 57 HD2 ARG 57 -2.462 23.594 -0.320 309 HE ARG 57 HE ARG 57 -4.949 24.732 0.511 310 HH11 ARG 57 HH11 ARG 57 -1.515 24.728 1.083 311 HH12 ARG 57 HH12 ARG 57 -1.489 26.334 1.730 312 HH21 ARG 57 HH21 ARG 57 -4.927 26.849 1.361 313 HH22 ARG 57 HH22 ARG 57 -3.430 27.540 1.888 314 H ASP 58 H ASP 58 -3.638 21.832 -5.290 315 HA ASP 58 HA ASP 58 -5.315 24.019 -6.220 316 HB2 ASP 58 HB1 ASP 58 -2.822 22.679 -7.224 317 HB3 ASP 58 HB2 ASP 58 -3.794 23.666 -8.322 318 HD2 ASP 58 HD ASP 58 -1.481 25.474 -5.757 319 H GLU 59 H GLU 59 -5.052 20.599 -6.545 320 HA GLU 59 HA GLU 59 -7.135 20.654 -8.629 321 HB2 GLU 59 HB1 GLU 59 -4.770 18.823 -8.288 322 HB3 GLU 59 HB2 GLU 59 -6.202 18.309 -9.192 323 HG2 GLU 59 HG1 GLU 59 -5.466 19.341 -11.002 324 HG3 GLU 59 HG2 GLU 59 -5.454 20.878 -10.128 325 HE2 GLU 59 HE GLU 59 -2.035 20.914 -10.016 326 H LYS 60 H LYS 60 -8.116 18.232 -8.669 327 HA LYS 60 HA LYS 60 -9.362 17.953 -6.067 328 HB2 LYS 60 HB1 LYS 60 -9.929 17.038 -8.837 329 HB3 LYS 60 HB2 LYS 60 -10.526 16.015 -7.520 330 HG2 LYS 60 HG1 LYS 60 -12.280 17.345 -7.290 331 HG3 LYS 60 HG2 LYS 60 -11.192 18.674 -6.855 332 HD2 LYS 60 HD1 LYS 60 -10.883 18.710 -9.530 333 HD3 LYS 60 HD2 LYS 60 -12.539 18.085 -9.422 334 HE2 LYS 60 HE1 LYS 60 -12.905 20.048 -7.743 335 HE3 LYS 60 HE2 LYS 60 -11.447 20.713 -8.494 336 HZ1 LYS 60 HZ1 LYS 60 -13.577 21.456 -9.511 337 HZ2 LYS 60 HZ2 LYS 60 -13.834 19.871 -10.040 338 HZ3 LYS 60 HZ3 LYS 60 -12.500 20.745 -10.606 339 HA PRO 61 HA PRO 61 -7.196 14.417 -4.634 340 HB2 PRO 61 HB1 PRO 61 -9.189 12.918 -3.501 341 HB3 PRO 61 HB2 PRO 61 -8.586 14.421 -2.804 342 HG2 PRO 61 HG1 PRO 61 -11.001 13.955 -4.521 343 HG3 PRO 61 HG2 PRO 61 -10.845 14.933 -3.014 344 HD2 PRO 61 HD1 PRO 61 -10.877 16.049 -5.489 345 HD3 PRO 61 HD2 PRO 61 -9.926 16.715 -4.150 346 H PHE 62 H PHE 62 -6.473 12.494 -5.381 347 HA PHE 62 HA PHE 62 -8.185 10.684 -6.832 348 HB2 PHE 62 HB1 PHE 62 -6.621 10.687 -8.845 349 HB3 PHE 62 HB2 PHE 62 -7.720 12.061 -8.697 350 HD1 PHE 62 HD1 PHE 62 -6.888 14.179 -8.981 351 HD2 PHE 62 HD2 PHE 62 -4.261 11.087 -7.696 352 HE1 PHE 62 HE1 PHE 62 -4.993 15.745 -9.100 353 HE2 PHE 62 HE2 PHE 62 -2.362 12.647 -7.812 354 HZ PHE 62 HZ PHE 62 -2.727 14.979 -8.514 355 H CYS 63 H CYS 63 -7.206 8.636 -7.224 356 HA CYS 63 HA CYS 63 -5.181 7.984 -5.275 357 HB2 CYS 63 HB1 CYS 63 -7.283 6.608 -5.950 358 HB3 CYS 63 HB2 CYS 63 -6.284 6.052 -7.293 359 H ALA 64 H ALA 64 -3.081 7.559 -5.626 360 HA ALA 64 HA ALA 64 -2.145 7.345 -8.407 361 HB1 ALA 64 HB1 ALA 64 -1.411 9.340 -6.377 362 HB2 ALA 64 HB2 ALA 64 -0.057 8.609 -7.241 363 HB3 ALA 64 HB3 ALA 64 -1.337 9.427 -8.136 364 H THR 65 H THR 65 -0.213 6.159 -8.712 365 HA THR 65 HA THR 65 0.129 4.028 -6.798 366 HB THR 65 HB THR 65 1.780 3.140 -8.455 367 HG1 THR 65 HG1 THR 65 1.941 4.230 -10.449 368 HG21 THR 65 HG21 THR 65 -0.926 3.892 -9.567 369 HG22 THR 65 HG22 THR 65 -0.572 2.485 -8.565 370 HG23 THR 65 HG23 THR 65 0.119 2.612 -10.182 371 H CYS 66 H CYS 66 2.388 3.296 -6.243 372 HA CYS 66 HA CYS 66 3.701 5.311 -4.773 373 HB2 CYS 66 HB1 CYS 66 5.317 3.632 -4.186 374 HB3 CYS 66 HB2 CYS 66 3.722 2.879 -4.210 375 H ARG 67 H ARG 67 6.208 5.516 -4.988 376 HA ARG 67 HA ARG 67 6.707 6.472 -7.708 377 HB2 ARG 67 HB1 ARG 67 8.217 6.986 -5.134 378 HB3 ARG 67 HB2 ARG 67 8.569 7.731 -6.700 379 HG2 ARG 67 HG1 ARG 67 5.941 8.037 -5.250 380 HG3 ARG 67 HG2 ARG 67 7.291 9.178 -5.128 381 HD2 ARG 67 HD1 ARG 67 6.260 10.218 -6.847 382 HD3 ARG 67 HD2 ARG 67 7.065 8.973 -7.814 383 HE ARG 67 HE ARG 67 4.604 7.960 -6.937 384 HH11 ARG 67 HH11 ARG 67 5.874 10.393 -9.079 385 HH12 ARG 67 HH12 ARG 67 4.518 10.339 -10.156 386 HH21 ARG 67 HH21 ARG 67 2.813 7.878 -8.347 387 HH22 ARG 67 HH22 ARG 67 2.777 8.908 -9.739 388 H GLY 68 H GLY 68 7.922 5.328 -9.058 389 HA2 GLY 68 HA2 GLY 68 9.155 2.901 -8.373 390 HA3 GLY 68 HA3 GLY 68 9.423 3.792 -9.863 391 HA1 GLY 68 HA1 GLY 68 9.281 3.521 -7.760 392 H LEU 69 H LEU 69 11.541 2.495 -9.023 393 HA LEU 69 HA LEU 69 13.174 3.705 -7.095 394 HB2 LEU 69 HB1 LEU 69 13.978 2.201 -9.592 395 HB3 LEU 69 HB2 LEU 69 15.033 2.556 -8.213 396 HG LEU 69 HG LEU 69 12.640 0.720 -8.238 397 HD11 LEU 69 HD11 LEU 69 14.446 -0.408 -9.209 398 HD12 LEU 69 HD12 LEU 69 14.469 -0.909 -7.519 399 HD13 LEU 69 HD13 LEU 69 15.610 0.307 -8.093 400 HD21 LEU 69 HD21 LEU 69 13.317 0.224 -5.892 401 HD22 LEU 69 HD22 LEU 69 12.658 1.842 -6.124 402 HD23 LEU 69 HD23 LEU 69 14.399 1.614 -5.960 403 H ARG 70 H ARG 70 12.498 4.544 -10.402 404 HA ARG 70 HA ARG 70 14.637 6.541 -10.418 405 HB2 ARG 70 HB1 ARG 70 12.842 5.391 -12.544 406 HB3 ARG 70 HB2 ARG 70 13.766 6.873 -12.825 407 HG2 ARG 70 HG1 ARG 70 15.765 5.354 -11.951 408 HG3 ARG 70 HG2 ARG 70 14.705 4.076 -12.571 409 HD2 ARG 70 HD1 ARG 70 14.601 5.213 -14.751 410 HD3 ARG 70 HD2 ARG 70 15.672 6.476 -14.124 411 HE ARG 70 HE ARG 70 17.004 4.087 -13.741 412 HH11 ARG 70 HH11 ARG 70 15.740 5.904 -16.429 413 HH12 ARG 70 HH12 ARG 70 16.926 5.321 -17.550 414 HH21 ARG 70 HH21 ARG 70 18.571 3.312 -15.207 415 HH22 ARG 70 HH22 ARG 70 18.534 3.845 -16.854 416 H ARG 71 H ARG 71 11.832 6.517 -9.029 417 HA ARG 71 HA ARG 71 10.914 9.116 -10.056 418 HB2 ARG 71 HB1 ARG 71 9.478 7.056 -8.364 419 HB3 ARG 71 HB2 ARG 71 8.801 8.619 -8.846 420 HG2 ARG 71 HG1 ARG 71 9.596 6.369 -10.698 421 HG3 ARG 71 HG2 ARG 71 7.950 6.865 -10.272 422 HD2 ARG 71 HD1 ARG 71 7.987 8.226 -12.041 423 HD3 ARG 71 HD2 ARG 71 9.171 9.201 -11.159 424 HE ARG 71 HE ARG 71 10.783 8.466 -12.597 425 HH11 ARG 71 HH11 ARG 71 8.063 6.299 -12.762 426 HH12 ARG 71 HH12 ARG 71 8.708 5.381 -14.082 427 HH21 ARG 71 HH21 ARG 71 11.643 7.265 -14.336 428 HH22 ARG 71 HH22 ARG 71 10.744 5.931 -14.976 429 H ARG 72 H ARG 72 10.469 10.815 -8.610 430 HA ARG 72 HA ARG 72 12.242 10.922 -6.357 431 HB2 ARG 72 HB1 ARG 72 10.185 12.909 -7.352 432 HB3 ARG 72 HB2 ARG 72 11.395 13.230 -6.100 433 HG2 ARG 72 HG1 ARG 72 12.646 12.208 -8.496 434 HG3 ARG 72 HG2 ARG 72 11.663 13.642 -8.837 435 HD2 ARG 72 HD1 ARG 72 13.663 13.522 -6.578 436 HD3 ARG 72 HD2 ARG 72 14.072 14.073 -8.208 437 HE ARG 72 HE ARG 72 11.811 15.432 -7.064 438 HH11 ARG 72 HH11 ARG 72 15.282 15.362 -7.328 439 HH12 ARG 72 HH12 ARG 72 15.473 17.048 -6.974 440 HH21 ARG 72 HH21 ARG 72 12.049 17.652 -6.597 441 HH22 ARG 72 HH22 ARG 72 13.634 18.348 -6.558 442 H CYS 73 H CYS 73 11.599 11.481 -4.185 443 HA CYS 73 HA CYS 73 8.840 11.008 -3.423 444 HB2 CYS 73 HB1 CYS 73 9.379 9.228 -1.832 445 HB3 CYS 73 HB2 CYS 73 9.758 8.738 -3.485 446 H GLN 74 H GLN 74 8.497 11.382 -1.080 447 HA GLN 74 HA GLN 74 10.470 13.302 -0.033 448 HB2 GLN 74 HB1 GLN 74 7.455 13.285 0.136 449 HB3 GLN 74 HB2 GLN 74 8.465 14.301 1.177 450 HG2 GLN 74 HG1 GLN 74 9.034 15.728 -0.493 451 HG3 GLN 74 HG2 GLN 74 8.953 14.469 -1.734 452 HE21 GLN 74 HE21 GLN 74 6.796 16.147 0.532 453 HE22 GLN 74 HE22 GLN 74 5.494 16.342 -0.586 454 H ARG 75 H ARG 75 8.509 10.521 0.613 455 HA ARG 75 HA ARG 75 9.802 10.264 3.234 456 HB2 ARG 75 HB1 ARG 75 6.858 10.052 2.627 457 HB3 ARG 75 HB2 ARG 75 7.576 9.238 4.025 458 HG2 ARG 75 HG1 ARG 75 8.196 11.274 5.043 459 HG3 ARG 75 HG2 ARG 75 7.891 12.186 3.555 460 HD2 ARG 75 HD1 ARG 75 5.495 11.706 3.728 461 HD3 ARG 75 HD2 ARG 75 5.795 10.765 5.195 462 HE ARG 75 HE ARG 75 5.982 12.719 6.387 463 HH11 ARG 75 HH11 ARG 75 6.060 13.419 2.978 464 HH12 ARG 75 HH12 ARG 75 5.930 15.133 3.193 465 HH21 ARG 75 HH21 ARG 75 5.810 14.975 6.685 466 HH22 ARG 75 HH22 ARG 75 5.789 16.016 5.303 467 H ASP 76 H ASP 76 9.743 8.031 4.070 468 HA ASP 76 HA ASP 76 10.355 6.172 1.956 469 HB2 ASP 76 HB1 ASP 76 10.229 5.525 4.903 470 HB3 ASP 76 HB2 ASP 76 11.207 4.750 3.649 471 HD2 ASP 76 HD ASP 76 13.705 7.120 3.900 472 H ALA 77 H ALA 77 7.682 6.837 4.047 473 HA ALA 77 HA ALA 77 6.416 4.282 3.803 474 HB1 ALA 77 HB1 ALA 77 4.631 5.199 5.010 475 HB2 ALA 77 HB2 ALA 77 6.060 6.018 5.640 476 HB3 ALA 77 HB3 ALA 77 5.007 6.841 4.491 477 H MET 78 H MET 78 5.989 7.438 2.233 478 HA MET 78 HA MET 78 3.785 6.781 0.645 479 HB2 MET 78 HB1 MET 78 4.357 8.695 -0.712 480 HB3 MET 78 HB2 MET 78 4.648 9.082 0.991 481 HG2 MET 78 HG1 MET 78 6.742 9.640 0.546 482 HG3 MET 78 HG2 MET 78 7.046 8.019 -0.085 483 HE1 MET 78 HE1 MET 78 5.652 11.535 -0.882 484 HE2 MET 78 HE2 MET 78 5.556 11.553 -2.643 485 HE3 MET 78 HE3 MET 78 4.428 10.571 -1.708 486 H CYS 79 H CYS 79 7.081 5.842 0.403 487 HA CYS 79 HA CYS 79 6.941 5.150 -2.404 488 HB2 CYS 79 HB1 CYS 79 9.006 5.415 -0.386 489 HB3 CYS 79 HB2 CYS 79 9.183 3.902 -1.276 490 H CYS 80 H CYS 80 7.079 3.025 -3.234 491 HA CYS 80 HA CYS 80 5.358 1.161 -2.138 492 HB2 CYS 80 HB1 CYS 80 7.324 1.217 -4.316 493 HB3 CYS 80 HB2 CYS 80 7.074 -0.393 -3.636 494 HA PRO 81 HA PRO 81 7.496 -1.067 0.977 495 HB2 PRO 81 HB1 PRO 81 6.679 -3.643 0.533 496 HB3 PRO 81 HB2 PRO 81 5.628 -2.387 1.184 497 HG2 PRO 81 HG1 PRO 81 5.895 -3.368 -1.638 498 HG3 PRO 81 HG2 PRO 81 4.402 -3.033 -0.683 499 HD2 PRO 81 HD1 PRO 81 5.373 -1.306 -2.541 500 HD3 PRO 81 HD2 PRO 81 4.548 -0.765 -1.069 501 H GLY 82 H GLY 82 9.346 -2.258 1.397 502 HA2 GLY 82 HA2 GLY 82 11.119 -3.722 0.892 503 HA3 GLY 82 HA3 GLY 82 10.608 -3.726 -0.789 504 HA1 GLY 82 HA1 GLY 82 11.013 -2.874 1.117 505 H THR 83 H THR 83 10.444 -0.670 -0.530 506 HA THR 83 HA THR 83 13.330 -0.188 -0.889 507 HB THR 83 HB THR 83 12.438 1.807 -2.318 508 HG1 THR 83 HG1 THR 83 10.218 1.436 -1.817 509 HG21 THR 83 HG21 THR 83 11.934 -0.301 -4.096 510 HG22 THR 83 HG22 THR 83 13.091 -0.931 -2.924 511 HG23 THR 83 HG23 THR 83 13.465 0.533 -3.832 512 H LEU 84 H LEU 84 13.837 2.251 -0.689 513 HA LEU 84 HA LEU 84 12.285 3.477 1.478 514 HB2 LEU 84 HB1 LEU 84 14.878 2.311 1.723 515 HB3 LEU 84 HB2 LEU 84 15.026 4.067 1.904 516 HG LEU 84 HG LEU 84 13.353 4.002 3.715 517 HD11 LEU 84 HD11 LEU 84 13.128 1.229 2.812 518 HD12 LEU 84 HD12 LEU 84 11.973 2.242 3.675 519 HD13 LEU 84 HD13 LEU 84 13.253 1.415 4.562 520 HD21 LEU 84 HD21 LEU 84 15.661 2.109 4.151 521 HD22 LEU 84 HD22 LEU 84 14.796 3.019 5.389 522 HD23 LEU 84 HD23 LEU 84 15.770 3.869 4.188 523 H CYS 85 H CYS 85 12.822 5.786 1.794 524 HA CYS 85 HA CYS 85 13.239 7.056 -0.800 525 HB2 CYS 85 HB1 CYS 85 11.269 7.563 0.766 526 HB3 CYS 85 HB2 CYS 85 12.438 8.440 1.755 527 H VAL 86 H VAL 86 15.181 7.780 -1.330 528 HA VAL 86 HA VAL 86 16.853 9.027 0.731 529 HB VAL 86 HB VAL 86 17.967 7.075 -1.284 530 HG11 VAL 86 HG11 VAL 86 19.723 7.398 0.845 531 HG12 VAL 86 HG12 VAL 86 19.888 8.079 -0.774 532 HG13 VAL 86 HG13 VAL 86 19.129 9.023 0.508 533 HG21 VAL 86 HG21 VAL 86 17.388 6.680 1.649 534 HG22 VAL 86 HG22 VAL 86 16.607 5.854 0.301 535 HG23 VAL 86 HG23 VAL 86 18.313 5.566 0.641 536 H ASN 87 H ASN 87 17.884 10.831 0.070 537 HA ASN 87 HA ASN 87 18.399 12.630 -1.223 538 HB2 ASN 87 HB1 ASN 87 19.603 10.429 -2.359 539 HB3 ASN 87 HB2 ASN 87 18.737 11.138 -3.726 540 HD21 ASN 87 HD21 ASN 87 21.500 11.017 -3.613 541 HD22 ASN 87 HD22 ASN 87 22.127 12.623 -3.502 542 H ASP 88 H ASP 88 15.636 11.922 -1.037 543 HA ASP 88 HA ASP 88 13.626 12.545 -1.901 544 HB2 ASP 88 HB1 ASP 88 15.453 14.490 -2.752 545 HB3 ASP 88 HB2 ASP 88 14.534 14.061 -4.201 546 HD2 ASP 88 HD ASP 88 11.886 15.928 -3.138 547 H VAL 89 H VAL 89 15.123 10.199 -2.934 548 HA VAL 89 HA VAL 89 13.441 9.734 -5.275 549 HB VAL 89 HB VAL 89 16.412 9.181 -5.293 550 HG11 VAL 89 HG11 VAL 89 14.162 8.332 -7.024 551 HG12 VAL 89 HG12 VAL 89 15.674 8.779 -7.817 552 HG13 VAL 89 HG13 VAL 89 15.656 7.491 -6.612 553 HG21 VAL 89 HG21 VAL 89 14.729 11.261 -6.661 554 HG22 VAL 89 HG22 VAL 89 16.158 11.494 -5.654 555 HG23 VAL 89 HG23 VAL 89 16.318 10.789 -7.264 556 H CYS 90 H CYS 90 12.714 7.666 -5.451 557 HA CYS 90 HA CYS 90 12.904 5.977 -3.183 558 HB2 CYS 90 HB1 CYS 90 11.151 6.232 -5.268 559 HB3 CYS 90 HB2 CYS 90 11.985 4.735 -5.689 560 H THR 91 H THR 91 14.362 4.486 -2.685 561 HA THR 91 HA THR 91 15.976 3.298 -4.840 562 HB THR 91 HB THR 91 17.287 5.055 -3.652 563 HG1 THR 91 HG1 THR 91 18.196 3.016 -4.545 564 HG21 THR 91 HG21 THR 91 16.246 4.758 -1.429 565 HG22 THR 91 HG22 THR 91 18.007 4.678 -1.365 566 HG23 THR 91 HG23 THR 91 17.053 3.197 -1.282 567 H THR 92 H THR 92 17.070 1.273 -4.167 568 HA THR 92 HA THR 92 15.200 -0.465 -2.880 569 HB THR 92 HB THR 92 17.032 -2.197 -3.205 570 HG1 THR 92 HG1 THR 92 18.286 -0.357 -4.915 571 HG21 THR 92 HG21 THR 92 16.872 -1.466 -5.897 572 HG22 THR 92 HG22 THR 92 15.410 -0.816 -5.156 573 HG23 THR 92 HG23 THR 92 15.779 -2.535 -5.020 574 H MET 93 H MET 93 15.521 -1.715 -0.999 575 HA MET 93 HA MET 93 16.530 -0.356 1.214 576 HB2 MET 93 HB1 MET 93 15.374 -2.979 0.659 577 HB3 MET 93 HB2 MET 93 16.564 -3.022 1.969 578 HG2 MET 93 HG1 MET 93 14.984 -0.766 2.481 579 HG3 MET 93 HG2 MET 93 13.866 -2.038 1.984 580 HE1 MET 93 HE1 MET 93 15.059 -0.264 4.503 581 HE2 MET 93 HE2 MET 93 13.786 -1.070 5.418 582 HE3 MET 93 HE3 MET 93 15.470 -1.240 5.914 583 H GLU 94 H GLU 94 18.059 -2.634 -0.955 584 HA GLU 94 HA GLU 94 20.344 -3.136 0.671 585 HB2 GLU 94 HB1 GLU 94 19.647 -3.591 -2.214 586 HB3 GLU 94 HB2 GLU 94 21.313 -3.817 -1.659 587 HG2 GLU 94 HG1 GLU 94 20.720 -5.568 -0.204 588 HG3 GLU 94 HG2 GLU 94 18.998 -5.183 -0.330 589 HE2 GLU 94 HE GLU 94 18.702 -6.873 -3.367 590 H ASP 95 H ASP 95 19.438 -0.631 -1.546 591 HA ASP 95 HA ASP 95 22.081 0.363 -2.008 592 HB2 ASP 95 HB1 ASP 95 19.343 1.071 -2.781 593 HB3 ASP 95 HB2 ASP 95 20.377 2.479 -2.502 594 HD2 ASP 95 HD ASP 95 21.968 0.105 -5.223 595 H ALA 96 H ALA 96 19.394 1.309 0.107 596 HA ALA 96 HA ALA 96 20.661 3.555 1.251 597 HB1 ALA 96 HB1 ALA 96 18.402 1.803 2.175 598 HB2 ALA 96 HB2 ALA 96 18.970 3.185 3.111 599 HB3 ALA 96 HB3 ALA 96 18.325 3.425 1.487 600 H THR 97 H THR 97 21.311 3.737 3.549 601 HA THR 97 HA THR 97 22.682 3.195 5.284 602 HB THR 97 HB THR 97 21.883 0.325 4.776 603 HG1 THR 97 HG1 THR 97 20.524 2.474 5.980 604 HG21 THR 97 HG21 THR 97 22.159 0.371 7.368 605 HG22 THR 97 HG22 THR 97 23.149 1.798 7.053 606 HG23 THR 97 HG23 THR 97 23.588 0.244 6.342 607 H GLU 98 H GLU 98 24.438 3.835 3.834 608 HA GLU 98 HA GLU 98 26.181 1.549 3.190 609 HB2 GLU 98 HB1 GLU 98 27.050 2.733 1.275 610 HB3 GLU 98 HB2 GLU 98 25.288 2.635 1.147 611 HG2 GLU 98 HG1 GLU 98 25.672 5.024 2.463 612 HG3 GLU 98 HG2 GLU 98 27.018 4.964 1.315 613 HE2 GLU 98 HE GLU 98 24.778 5.009 -1.422 614 H ASN 99 H ASN 99 28.511 2.714 2.655 615 HA ASN 99 HA ASN 99 29.392 3.601 5.233 616 HB2 ASN 99 HB1 ASN 99 30.660 2.850 2.653 617 HB3 ASN 99 HB2 ASN 99 31.574 3.956 3.686 618 HD21 ASN 99 HD21 ASN 99 32.990 1.961 3.543 619 HD22 ASN 99 HD22 ASN 99 32.794 0.792 4.802 620 H LEU 100 H LEU 100 28.447 5.589 5.644 621 HA LEU 100 HA LEU 100 28.629 7.767 3.788 622 HB2 LEU 100 HB1 LEU 100 27.344 7.212 6.322 623 HB3 LEU 100 HB2 LEU 100 28.108 8.812 6.323 624 HG LEU 100 HG LEU 100 26.804 8.977 3.993 625 HD11 LEU 100 HD11 LEU 100 24.992 7.263 5.680 626 HD12 LEU 100 HD12 LEU 100 25.898 6.669 4.288 627 HD13 LEU 100 HD13 LEU 100 24.670 7.916 4.073 628 HD21 LEU 100 HD21 LEU 100 25.075 9.433 6.341 629 HD22 LEU 100 HD22 LEU 100 25.547 10.532 5.044 630 HD23 LEU 100 HD23 LEU 100 26.660 10.207 6.375 631 H TYR 101 H TYR 101 29.513 9.934 4.699 632 HA TYR 101 HA TYR 101 31.325 11.196 5.236 633 HB2 TYR 101 HB1 TYR 101 30.850 10.115 7.487 634 HB3 TYR 101 HB2 TYR 101 32.133 8.965 7.103 635 HD1 TYR 101 HD1 TYR 101 34.416 9.517 7.376 636 HD2 TYR 101 HD2 TYR 101 31.458 12.561 7.671 637 HE1 TYR 101 HE1 TYR 101 36.113 11.074 8.240 638 HE2 TYR 101 HE2 TYR 101 33.146 14.126 8.535 639 HH TYR 101 HH TYR 101 35.405 13.891 9.785 640 H PHE 102 H PHE 102 32.477 11.211 3.369 641 HA PHE 102 HA PHE 102 34.047 8.990 2.489 642 HB2 PHE 102 HB1 PHE 102 33.433 11.720 1.537 643 HB3 PHE 102 HB2 PHE 102 35.014 11.098 1.059 644 HD1 PHE 102 HD1 PHE 102 31.602 9.608 1.350 645 HD2 PHE 102 HD2 PHE 102 35.039 10.271 -1.072 646 HE1 PHE 102 HE1 PHE 102 30.566 8.314 -0.468 647 HE2 PHE 102 HE2 PHE 102 34.008 8.979 -2.894 648 HZ PHE 102 HZ PHE 102 31.768 7.999 -2.594 649 H GLN 103 H GLN 103 36.438 9.559 1.819 650 HA GLN 103 HA GLN 103 38.585 9.811 2.526 651 HB2 GLN 103 HB1 GLN 103 37.306 12.247 2.972 652 HB3 GLN 103 HB2 GLN 103 38.161 11.912 4.487 653 HG2 GLN 103 HG1 GLN 103 40.248 11.959 3.493 654 HG3 GLN 103 HG2 GLN 103 39.591 11.641 1.882 655 HE21 GLN 103 HE21 GLN 103 40.698 13.396 1.009 656 HE22 GLN 103 HE22 GLN 103 40.197 15.026 1.289 657 H SER 104 H SER 104 39.974 10.019 4.640 658 HA SER 104 HA SER 104 38.677 8.875 6.972 659 HB2 SER 104 HB1 SER 104 39.791 7.157 5.075 660 HB3 SER 104 HB2 SER 104 41.034 7.294 6.331 661 HG SER 104 HG SER 104 39.759 6.326 7.737 662 H LEU 105 H LEU 105 41.951 9.264 5.602 663 HA LEU 105 HA LEU 105 43.170 9.904 8.059 664 HB2 LEU 105 HB1 LEU 105 43.915 9.846 5.229 665 HB3 LEU 105 HB2 LEU 105 44.752 11.101 6.158 666 HG LEU 105 HG LEU 105 44.928 8.740 7.684 667 HD11 LEU 105 HD11 LEU 105 45.891 8.208 4.890 668 HD12 LEU 105 HD12 LEU 105 44.317 7.656 5.461 669 HD13 LEU 105 HD13 LEU 105 45.788 7.094 6.254 670 HD21 LEU 105 HD21 LEU 105 47.012 10.026 5.925 671 HD22 LEU 105 HD22 LEU 105 47.293 9.025 7.350 672 HD23 LEU 105 HD23 LEU 105 46.545 10.614 7.521 673 H GLU 106 H GLU 106 44.425 12.062 8.288 674 HA GLU 106 HA GLU 106 43.103 14.406 7.280 675 HB2 GLU 106 HB1 GLU 106 42.458 15.277 9.517 676 HB3 GLU 106 HB2 GLU 106 41.517 13.865 9.013 677 HG2 GLU 106 HG1 GLU 106 43.898 13.166 10.552 678 HG3 GLU 106 HG2 GLU 106 42.753 14.187 11.435 679 HE2 GLU 106 HE GLU 106 40.310 11.671 11.414 680 H HIS 107 H HIS 107 44.343 16.234 7.483 681 HA HIS 107 HA HIS 107 46.919 15.900 8.877 682 HB2 HIS 107 HB1 HIS 107 46.844 15.984 6.276 683 HB3 HIS 107 HB2 HIS 107 46.567 17.712 6.507 684 HD1 HIS 107 HD1 HIS 107 48.580 17.615 9.130 685 HD2 HIS 107 HD2 HIS 107 49.390 16.652 5.170 686 HE1 HIS 107 HE1 HIS 107 51.069 17.863 8.873 687 HE2 HIS 107 HE2 HIS 107 51.565 17.275 6.453 688 H HIS 108 H HIS 108 46.678 17.014 10.726 689 HA HIS 108 HA HIS 108 45.894 19.842 10.498 690 HB2 HIS 108 HB1 HIS 108 45.077 17.866 12.640 691 HB3 HIS 108 HB2 HIS 108 44.877 19.614 12.796 692 HD1 HIS 108 HD1 HIS 108 42.628 20.409 12.182 693 HD2 HIS 108 HD2 HIS 108 43.663 16.972 10.090 694 HE1 HIS 108 HE1 HIS 108 40.622 19.851 10.772 695 HE2 HIS 108 HE2 HIS 108 41.254 17.750 9.492 696 H HIS 109 H HIS 109 47.442 21.163 11.167 697 HA HIS 109 HA HIS 109 49.486 20.114 13.007 698 HB2 HIS 109 HB1 HIS 109 49.764 21.322 10.503 699 HB3 HIS 109 HB2 HIS 109 50.206 22.584 11.658 700 HD1 HIS 109 HD1 HIS 109 51.323 19.246 10.399 701 HD2 HIS 109 HD2 HIS 109 52.570 22.154 13.090 702 HE1 HIS 109 HE1 HIS 109 53.684 18.629 11.009 703 HE2 HIS 109 HE2 HIS 109 54.447 20.407 12.653 704 H HIS 110 H HIS 110 47.829 23.151 12.148 705 HA HIS 110 HA HIS 110 47.155 24.925 13.403 706 HB2 HIS 110 HB1 HIS 110 46.090 22.921 14.657 707 HB3 HIS 110 HB2 HIS 110 47.350 23.206 15.863 708 HD1 HIS 110 HD1 HIS 110 47.032 25.115 17.478 709 HD2 HIS 110 HD2 HIS 110 44.232 25.115 14.408 710 HE1 HIS 110 HE1 HIS 110 45.330 26.851 18.120 711 HE2 HIS 110 HE2 HIS 110 43.617 26.852 16.244 712 H HIS 111 H HIS 111 49.979 24.477 12.958 713 HA HIS 111 HA HIS 111 50.995 26.314 14.948 714 HB2 HIS 111 HB1 HIS 111 51.619 23.465 15.005 715 HB3 HIS 111 HB2 HIS 111 53.068 24.465 14.867 716 HD1 HIS 111 HD1 HIS 111 50.177 23.818 17.183 717 HD2 HIS 111 HD2 HIS 111 53.783 25.880 17.136 718 HE1 HIS 111 HE1 HIS 111 50.566 24.546 19.558 719 HE2 HIS 111 HE2 HIS 111 52.771 25.806 19.530 720 H HIS 112 H HIS 112 52.154 24.094 12.404 721 HA HIS 112 HA HIS 112 53.389 24.447 10.526 722 HB2 HIS 112 HB1 HIS 112 51.504 26.254 10.315 723 HB3 HIS 112 HB2 HIS 112 52.816 27.387 10.659 724 HD1 HIS 112 HD1 HIS 112 54.595 27.759 8.845 725 HD2 HIS 112 HD2 HIS 112 51.682 24.991 7.792 726 HE1 HIS 112 HE1 HIS 112 54.897 27.370 6.378 727 HE2 HIS 112 HE2 HIS 112 53.116 25.679 5.734 Start of MODEL 53 1 H1 MET 18 H MET 18 -73.086 21.545 19.995 2 HA MET 18 HA MET 18 -74.502 20.220 22.186 3 HB2 MET 18 HB1 MET 18 -75.439 20.389 19.458 4 HB3 MET 18 HB2 MET 18 -75.114 18.706 19.898 5 HG2 MET 18 HG1 MET 18 -76.568 18.919 21.857 6 HG3 MET 18 HG2 MET 18 -76.885 20.600 21.425 7 HE1 MET 18 HE1 MET 18 -79.173 17.165 20.742 8 HE2 MET 18 HE2 MET 18 -78.495 18.099 22.076 9 HE3 MET 18 HE3 MET 18 -79.965 18.650 21.269 10 H LEU 19 H LEU 19 -73.826 18.086 22.594 11 HA LEU 19 HA LEU 19 -72.334 16.377 22.750 12 HB2 LEU 19 HB1 LEU 19 -71.492 17.057 19.934 13 HB3 LEU 19 HB2 LEU 19 -71.370 15.498 20.765 14 HG LEU 19 HG LEU 19 -74.119 16.323 20.646 15 HD11 LEU 19 HD11 LEU 19 -72.506 16.753 18.216 16 HD12 LEU 19 HD12 LEU 19 -74.046 17.464 18.703 17 HD13 LEU 19 HD13 LEU 19 -74.004 15.843 18.006 18 HD21 LEU 19 HD21 LEU 19 -72.526 14.032 19.511 19 HD22 LEU 19 HD22 LEU 19 -74.282 14.151 19.403 20 HD23 LEU 19 HD23 LEU 19 -73.501 14.048 20.981 21 H VAL 20 H VAL 20 -69.967 15.860 22.720 22 HA VAL 20 HA VAL 20 -68.494 18.183 23.601 23 HB VAL 20 HB VAL 20 -66.713 16.574 24.179 24 HG11 VAL 20 HG11 VAL 20 -68.115 16.877 25.973 25 HG12 VAL 20 HG12 VAL 20 -69.514 16.207 25.132 26 HG13 VAL 20 HG13 VAL 20 -68.251 15.135 25.738 27 HG21 VAL 20 HG21 VAL 20 -66.585 14.558 23.255 28 HG22 VAL 20 HG22 VAL 20 -68.200 14.146 23.831 29 HG23 VAL 20 HG23 VAL 20 -67.998 14.957 22.277 30 H LEU 21 H LEU 21 -66.612 18.999 22.706 31 HA LEU 21 HA LEU 21 -66.369 18.705 19.859 32 HB2 LEU 21 HB1 LEU 21 -64.507 20.358 20.125 33 HB3 LEU 21 HB2 LEU 21 -66.084 20.887 20.736 34 HG LEU 21 HG LEU 21 -64.346 19.654 22.759 35 HD11 LEU 21 HD11 LEU 21 -63.119 21.922 22.938 36 HD12 LEU 21 HD12 LEU 21 -63.507 22.082 21.226 37 HD13 LEU 21 HD13 LEU 21 -62.536 20.721 21.786 38 HD21 LEU 21 HD21 LEU 21 -66.146 20.625 23.741 39 HD22 LEU 21 HD22 LEU 21 -66.304 21.861 22.493 40 HD23 LEU 21 HD23 LEU 21 -65.071 22.022 23.744 41 H ASP 22 H ASP 22 -64.488 18.061 18.719 42 HA ASP 22 HA ASP 22 -62.420 16.640 20.200 43 HB2 ASP 22 HB1 ASP 22 -64.595 15.303 18.890 44 HB3 ASP 22 HB2 ASP 22 -63.092 14.942 18.029 45 HD2 ASP 22 HD ASP 22 -61.885 13.004 20.613 46 H PHE 23 H PHE 23 -60.472 16.498 19.125 47 HA PHE 23 HA PHE 23 -60.347 17.519 16.381 48 HB2 PHE 23 HB1 PHE 23 -59.746 19.131 18.530 49 HB3 PHE 23 HB2 PHE 23 -58.164 18.484 18.092 50 HD1 PHE 23 HD1 PHE 23 -56.915 19.634 16.554 51 HD2 PHE 23 HD2 PHE 23 -61.158 19.949 16.412 52 HE1 PHE 23 HE1 PHE 23 -56.729 21.263 14.719 53 HE2 PHE 23 HE2 PHE 23 -60.979 21.578 14.577 54 HZ PHE 23 HZ PHE 23 -58.763 22.236 13.728 55 H ASN 24 H ASN 24 -58.473 16.901 15.216 56 HA ASN 24 HA ASN 24 -56.531 15.155 16.441 57 HB2 ASN 24 HB1 ASN 24 -58.850 13.973 15.468 58 HB3 ASN 24 HB2 ASN 24 -57.690 13.769 14.151 59 HD21 ASN 24 HD21 ASN 24 -56.310 12.142 14.260 60 HD22 ASN 24 HD22 ASN 24 -55.973 11.199 15.668 61 H ASN 25 H ASN 25 -54.645 15.072 15.306 62 HA ASN 25 HA ASN 25 -54.575 15.937 12.532 63 HB2 ASN 25 HB1 ASN 25 -52.904 17.683 12.930 64 HB3 ASN 25 HB2 ASN 25 -54.412 18.046 13.780 65 HD21 ASN 25 HD21 ASN 25 -51.223 18.232 14.106 66 HD22 ASN 25 HD22 ASN 25 -51.062 18.063 15.818 67 H ILE 26 H ILE 26 -52.499 15.561 11.515 68 HA ILE 26 HA ILE 26 -50.371 14.266 12.873 69 HB ILE 26 HB ILE 26 -52.037 12.422 12.896 70 HG12 ILE 26 HG11 ILE 26 -50.510 10.734 11.711 71 HG13 ILE 26 HG12 ILE 26 -49.500 12.129 11.296 72 HG21 ILE 26 HG21 ILE 26 -52.638 11.313 10.814 73 HG22 ILE 26 HG22 ILE 26 -53.189 12.988 10.814 74 HG23 ILE 26 HG23 ILE 26 -51.753 12.532 9.896 75 HD11 ILE 26 HD11 ILE 26 -50.265 11.546 14.132 76 HD12 ILE 26 HD12 ILE 26 -48.858 10.806 13.367 77 HD13 ILE 26 HD13 ILE 26 -48.956 12.560 13.525 78 H ARG 27 H ARG 27 -48.550 14.301 11.661 79 HA ARG 27 HA ARG 27 -48.766 14.580 8.760 80 HB2 ARG 27 HB1 ARG 27 -47.028 16.451 8.901 81 HB3 ARG 27 HB2 ARG 27 -48.697 16.860 9.325 82 HG2 ARG 27 HG1 ARG 27 -48.234 17.060 11.583 83 HG3 ARG 27 HG2 ARG 27 -46.775 16.060 11.465 84 HD2 ARG 27 HD1 ARG 27 -45.660 18.009 11.496 85 HD3 ARG 27 HD2 ARG 27 -46.154 18.128 9.802 86 HE ARG 27 HE ARG 27 -47.542 19.851 10.368 87 HH11 ARG 27 HH11 ARG 27 -46.710 18.081 13.250 88 HH12 ARG 27 HH12 ARG 27 -47.475 19.209 14.319 89 HH21 ARG 27 HH21 ARG 27 -48.552 21.343 11.767 90 HH22 ARG 27 HH22 ARG 27 -48.522 21.063 13.476 91 H SER 28 H SER 28 -47.263 13.426 7.727 92 HA SER 28 HA SER 28 -44.676 12.919 8.940 93 HB2 SER 28 HB1 SER 28 -44.872 10.684 9.333 94 HB3 SER 28 HB2 SER 28 -46.589 11.094 9.507 95 HG SER 28 HG SER 28 -46.511 9.430 8.070 96 H SER 29 H SER 29 -43.586 11.119 7.333 97 HA SER 29 HA SER 29 -42.585 10.869 5.304 98 HB2 SER 29 HB1 SER 29 -45.483 11.138 4.704 99 HB3 SER 29 HB2 SER 29 -44.374 11.336 3.336 100 HG SER 29 HG SER 29 -44.451 9.115 5.104 101 H ALA 30 H ALA 30 -41.213 12.674 5.601 102 HA ALA 30 HA ALA 30 -42.019 15.098 4.135 103 HB1 ALA 30 HB1 ALA 30 -41.017 16.373 5.682 104 HB2 ALA 30 HB2 ALA 30 -41.131 14.938 6.702 105 HB3 ALA 30 HB3 ALA 30 -39.637 15.285 5.831 106 H ASP 31 H ASP 31 -40.021 16.296 3.229 107 HA ASP 31 HA ASP 31 -38.662 14.427 1.474 108 HB2 ASP 31 HB1 ASP 31 -39.758 16.739 0.869 109 HB3 ASP 31 HB2 ASP 31 -38.201 17.387 1.406 110 HD2 ASP 31 HD ASP 31 -37.723 14.868 -1.597 111 H LEU 32 H LEU 32 -36.482 14.071 1.380 112 HA LEU 32 HA LEU 32 -34.794 15.425 3.368 113 HB2 LEU 32 HB1 LEU 32 -35.370 12.532 3.081 114 HB3 LEU 32 HB2 LEU 32 -33.683 12.984 3.383 115 HG LEU 32 HG LEU 32 -35.679 14.202 5.185 116 HD11 LEU 32 HD11 LEU 32 -35.357 11.889 6.498 117 HD12 LEU 32 HD12 LEU 32 -35.405 11.283 4.843 118 HD13 LEU 32 HD13 LEU 32 -36.749 12.235 5.472 119 HD21 LEU 32 HD21 LEU 32 -33.361 14.630 5.561 120 HD22 LEU 32 HD22 LEU 32 -32.974 12.910 5.494 121 HD23 LEU 32 HD23 LEU 32 -33.919 13.550 6.839 122 H HIS 33 H HIS 33 -32.768 15.927 2.699 123 HA HIS 33 HA HIS 33 -31.573 14.671 0.398 124 HB2 HIS 33 HB1 HIS 33 -31.467 16.566 -1.038 125 HB3 HIS 33 HB2 HIS 33 -33.159 16.386 -0.560 126 HD1 HIS 33 HD1 HIS 33 -34.095 18.124 1.190 127 HD2 HIS 33 HD2 HIS 33 -30.306 18.968 -0.290 128 HE1 HIS 33 HE1 HIS 33 -33.658 20.526 1.792 129 HE2 HIS 33 HE2 HIS 33 -31.342 21.043 0.889 130 H GLY 34 H GLY 34 -29.509 16.123 -0.213 131 HA2 GLY 34 HA2 GLY 34 -28.331 17.416 2.099 132 HA3 GLY 34 HA3 GLY 34 -27.618 15.864 1.682 133 HA1 GLY 34 HA1 GLY 34 -28.671 17.677 1.327 134 H ALA 35 H ALA 35 -25.707 16.280 0.781 135 HA ALA 35 HA ALA 35 -25.652 18.001 -1.585 136 HB1 ALA 35 HB1 ALA 35 -23.236 18.596 -0.458 137 HB2 ALA 35 HB2 ALA 35 -24.667 19.626 -0.403 138 HB3 ALA 35 HB3 ALA 35 -24.301 18.553 0.948 139 H ARG 36 H ARG 36 -23.618 15.920 0.481 140 HA ARG 36 HA ARG 36 -22.080 14.318 -0.019 141 HB2 ARG 36 HB1 ARG 36 -24.408 13.654 -1.289 142 HB3 ARG 36 HB2 ARG 36 -23.252 13.637 -2.630 143 HG2 ARG 36 HG1 ARG 36 -21.825 12.226 -0.878 144 HG3 ARG 36 HG2 ARG 36 -23.450 11.854 -0.277 145 HD2 ARG 36 HD1 ARG 36 -24.126 11.090 -2.502 146 HD3 ARG 36 HD2 ARG 36 -22.519 11.494 -3.123 147 HE ARG 36 HE ARG 36 -21.751 9.518 -2.283 148 HH11 ARG 36 HH11 ARG 36 -24.723 10.337 -0.666 149 HH12 ARG 36 HH12 ARG 36 -24.814 8.841 0.204 150 HH21 ARG 36 HH21 ARG 36 -21.860 7.544 -1.144 151 HH22 ARG 36 HH22 ARG 36 -23.184 7.254 -0.068 152 H LYS 37 H LYS 37 -20.858 13.390 -2.217 153 HA LYS 37 HA LYS 37 -20.161 15.295 -4.171 154 HB2 LYS 37 HB1 LYS 37 -18.910 15.671 -1.630 155 HB3 LYS 37 HB2 LYS 37 -17.682 15.121 -2.782 156 HG2 LYS 37 HG1 LYS 37 -19.107 17.043 -4.192 157 HG3 LYS 37 HG2 LYS 37 -18.975 17.697 -2.550 158 HD2 LYS 37 HD1 LYS 37 -16.520 17.233 -2.620 159 HD3 LYS 37 HD2 LYS 37 -16.714 16.770 -4.319 160 HE2 LYS 37 HE1 LYS 37 -16.555 18.904 -4.936 161 HE3 LYS 37 HE2 LYS 37 -17.981 19.284 -3.958 162 HZ1 LYS 37 HZ1 LYS 37 -16.334 20.645 -3.096 163 HZ2 LYS 37 HZ2 LYS 37 -15.134 19.458 -3.199 164 HZ3 LYS 37 HZ3 LYS 37 -16.338 19.342 -2.016 165 H GLY 38 H GLY 38 -18.343 12.937 -2.191 166 HA2 GLY 38 HA2 GLY 38 -17.896 10.703 -2.922 167 HA3 GLY 38 HA3 GLY 38 -18.107 11.240 -4.582 168 HA1 GLY 38 HA1 GLY 38 -17.494 11.394 -2.552 169 H SER 39 H SER 39 -15.885 10.526 -2.156 170 HA SER 39 HA SER 39 -13.735 12.059 -3.424 171 HB2 SER 39 HB1 SER 39 -12.490 11.808 -1.470 172 HB3 SER 39 HB2 SER 39 -14.149 11.901 -0.850 173 HG SER 39 HG SER 39 -12.507 10.033 -0.298 174 H GLN 40 H GLN 40 -11.540 10.588 -3.043 175 HA GLN 40 HA GLN 40 -12.036 8.180 -4.661 176 HB2 GLN 40 HB1 GLN 40 -10.184 10.376 -4.944 177 HB3 GLN 40 HB2 GLN 40 -9.311 8.841 -4.821 178 HG2 GLN 40 HG1 GLN 40 -9.654 9.171 -7.115 179 HG3 GLN 40 HG2 GLN 40 -10.852 7.965 -6.622 180 HE21 GLN 40 HE21 GLN 40 -12.346 8.354 -8.177 181 HE22 GLN 40 HE22 GLN 40 -13.222 9.835 -8.323 182 H CYS 41 H CYS 41 -9.954 9.505 -2.107 183 HA CYS 41 HA CYS 41 -10.023 7.056 -0.640 184 HB2 CYS 41 HB1 CYS 41 -7.505 6.744 -0.687 185 HB3 CYS 41 HB2 CYS 41 -8.375 6.260 -2.144 186 H LEU 42 H LEU 42 -9.055 7.237 1.441 187 HA LEU 42 HA LEU 42 -8.664 10.028 2.261 188 HB2 LEU 42 HB1 LEU 42 -9.751 7.590 3.576 189 HB3 LEU 42 HB2 LEU 42 -8.914 8.775 4.596 190 HG LEU 42 HG LEU 42 -10.984 9.876 2.807 191 HD11 LEU 42 HD11 LEU 42 -12.477 8.278 3.328 192 HD12 LEU 42 HD12 LEU 42 -12.565 9.134 4.867 193 HD13 LEU 42 HD13 LEU 42 -11.543 7.705 4.710 194 HD21 LEU 42 HD21 LEU 42 -11.180 10.443 5.630 195 HD22 LEU 42 HD22 LEU 42 -10.877 11.538 4.280 196 HD23 LEU 42 HD23 LEU 42 -9.534 10.683 5.043 197 H SER 43 H SER 43 -7.117 6.932 2.091 198 HA SER 43 HA SER 43 -4.584 8.119 2.799 199 HB2 SER 43 HB1 SER 43 -4.336 5.963 4.421 200 HB3 SER 43 HB2 SER 43 -4.820 7.569 4.994 201 HG SER 43 HG SER 43 -6.547 6.579 5.660 202 H ASP 44 H ASP 44 -2.851 6.259 2.817 203 HA ASP 44 HA ASP 44 -2.801 5.142 0.259 204 HB2 ASP 44 HB1 ASP 44 -0.835 3.876 1.024 205 HB3 ASP 44 HB2 ASP 44 -0.767 5.564 1.549 206 HD2 ASP 44 HD ASP 44 -1.035 2.741 4.292 207 H THR 45 H THR 45 -3.588 3.661 3.382 208 HA THR 45 HA THR 45 -3.899 1.027 2.518 209 HB THR 45 HB THR 45 -3.863 1.744 4.905 210 HG1 THR 45 HG1 THR 45 -4.584 -0.264 4.896 211 HG21 THR 45 HG21 THR 45 -5.605 3.603 4.417 212 HG22 THR 45 HG22 THR 45 -5.678 2.750 5.959 213 HG23 THR 45 HG23 THR 45 -6.794 2.325 4.661 214 H ASP 46 H ASP 46 -5.934 3.791 2.091 215 HA ASP 46 HA ASP 46 -8.376 2.433 1.603 216 HB2 ASP 46 HB1 ASP 46 -7.766 5.013 1.997 217 HB3 ASP 46 HB2 ASP 46 -7.834 5.015 0.230 218 HD2 ASP 46 HD ASP 46 -11.174 5.649 1.492 219 H CYS 47 H CYS 47 -5.590 3.161 -0.355 220 HA CYS 47 HA CYS 47 -6.967 2.109 -2.732 221 HB2 CYS 47 HB1 CYS 47 -5.616 4.418 -2.556 222 HB3 CYS 47 HB2 CYS 47 -4.273 3.346 -2.959 223 H ASN 48 H ASN 48 -6.387 0.156 -1.020 224 HA ASN 48 HA ASN 48 -5.360 -1.865 -0.846 225 HB2 ASN 48 HB1 ASN 48 -5.339 -1.264 -3.548 226 HB3 ASN 48 HB2 ASN 48 -3.648 -1.655 -3.209 227 HD21 ASN 48 HD21 ASN 48 -6.750 -2.886 -3.745 228 HD22 ASN 48 HD22 ASN 48 -6.408 -4.552 -3.440 229 H THR 49 H THR 49 -2.867 -2.802 -1.376 230 HA THR 49 HA THR 49 -1.234 -1.138 0.386 231 HB THR 49 HB THR 49 0.038 -3.041 0.898 232 HG1 THR 49 HG1 THR 49 -1.139 -4.550 -1.190 233 HG21 THR 49 HG21 THR 49 -2.520 -3.072 1.480 234 HG22 THR 49 HG22 THR 49 -1.516 -4.487 1.798 235 HG23 THR 49 HG23 THR 49 -2.547 -4.440 0.368 236 H ARG 50 H ARG 50 -1.321 -2.388 -2.873 237 HA ARG 50 HA ARG 50 1.394 -1.687 -3.492 238 HB2 ARG 50 HB1 ARG 50 -0.807 -2.163 -5.496 239 HB3 ARG 50 HB2 ARG 50 0.932 -2.430 -5.690 240 HG2 ARG 50 HG1 ARG 50 -0.854 -4.012 -3.838 241 HG3 ARG 50 HG2 ARG 50 -0.349 -4.523 -5.458 242 HD2 ARG 50 HD1 ARG 50 1.985 -3.742 -4.017 243 HD3 ARG 50 HD2 ARG 50 1.032 -4.825 -2.992 244 HE ARG 50 HE ARG 50 2.509 -5.547 -5.310 245 HH11 ARG 50 HH11 ARG 50 -0.380 -6.291 -3.517 246 HH12 ARG 50 HH12 ARG 50 -0.454 -7.933 -4.064 247 HH21 ARG 50 HH21 ARG 50 2.424 -7.707 -6.037 248 HH22 ARG 50 HH22 ARG 50 1.142 -8.738 -5.497 249 H LYS 51 H LYS 51 -1.674 -0.090 -3.535 250 HA LYS 51 HA LYS 51 -0.458 2.214 -4.912 251 HB2 LYS 51 HB1 LYS 51 -3.146 0.986 -5.041 252 HB3 LYS 51 HB2 LYS 51 -3.113 2.756 -4.999 253 HG2 LYS 51 HG1 LYS 51 -2.081 2.940 -7.039 254 HG3 LYS 51 HG2 LYS 51 -1.328 1.340 -6.914 255 HD2 LYS 51 HD1 LYS 51 -4.259 1.257 -6.939 256 HD3 LYS 51 HD2 LYS 51 -3.545 1.938 -8.411 257 HE2 LYS 51 HE1 LYS 51 -2.429 -0.019 -8.952 258 HE3 LYS 51 HE2 LYS 51 -2.430 -0.589 -7.276 259 HZ1 LYS 51 HZ1 LYS 51 -3.992 -1.736 -8.883 260 HZ2 LYS 51 HZ2 LYS 51 -4.934 -0.332 -8.830 261 HZ3 LYS 51 HZ3 LYS 51 -4.663 -1.221 -7.417 262 H PHE 52 H PHE 52 -0.859 4.302 -4.088 263 HA PHE 52 HA PHE 52 -1.829 4.360 -1.306 264 HB2 PHE 52 HB1 PHE 52 -0.153 6.150 -0.871 265 HB3 PHE 52 HB2 PHE 52 0.571 4.586 -1.252 266 HD1 PHE 52 HD1 PHE 52 1.648 4.189 -3.419 267 HD2 PHE 52 HD2 PHE 52 0.151 8.024 -2.335 268 HE1 PHE 52 HE1 PHE 52 2.975 5.213 -5.220 269 HE2 PHE 52 HE2 PHE 52 1.475 9.052 -4.137 270 HZ PHE 52 HZ PHE 52 2.888 7.646 -5.582 271 H CYS 53 H CYS 53 -2.208 6.769 -0.638 272 HA CYS 53 HA CYS 53 -3.812 8.001 -2.778 273 HB2 CYS 53 HB1 CYS 53 -4.967 7.122 -0.682 274 HB3 CYS 53 HB2 CYS 53 -4.172 8.437 0.186 275 H LEU 54 H LEU 54 -3.046 9.826 -3.589 276 HA LEU 54 HA LEU 54 -1.144 11.399 -2.000 277 HB2 LEU 54 HB1 LEU 54 -0.323 10.627 -4.156 278 HB3 LEU 54 HB2 LEU 54 -1.702 11.391 -4.962 279 HG LEU 54 HG LEU 54 -0.724 13.578 -3.883 280 HD11 LEU 54 HD11 LEU 54 1.662 11.740 -3.988 281 HD12 LEU 54 HD12 LEU 54 1.007 12.560 -2.569 282 HD13 LEU 54 HD13 LEU 54 1.754 13.498 -3.862 283 HD21 LEU 54 HD21 LEU 54 0.468 12.203 -6.288 284 HD22 LEU 54 HD22 LEU 54 0.606 13.924 -5.927 285 HD23 LEU 54 HD23 LEU 54 -0.975 13.218 -6.264 286 H GLN 55 H GLN 55 -1.693 13.332 -1.229 287 HA GLN 55 HA GLN 55 -4.155 14.583 -2.253 288 HB2 GLN 55 HB1 GLN 55 -4.209 15.714 0.028 289 HB3 GLN 55 HB2 GLN 55 -4.565 13.979 -0.010 290 HG2 GLN 55 HG1 GLN 55 -2.659 13.402 1.090 291 HG3 GLN 55 HG2 GLN 55 -1.755 14.786 0.461 292 HE21 GLN 55 HE21 GLN 55 -4.601 14.183 2.498 293 HE22 GLN 55 HE22 GLN 55 -4.196 15.352 3.705 294 HA PRO 56 HA PRO 56 -0.828 17.498 -3.446 295 HB2 PRO 56 HB1 PRO 56 -2.133 18.406 -5.676 296 HB3 PRO 56 HB2 PRO 56 -1.157 16.937 -5.649 297 HG2 PRO 56 HG1 PRO 56 -4.129 17.253 -5.381 298 HG3 PRO 56 HG2 PRO 56 -3.191 16.077 -6.377 299 HD2 PRO 56 HD1 PRO 56 -4.330 15.408 -4.005 300 HD3 PRO 56 HD2 PRO 56 -2.805 14.704 -4.567 301 H ARG 57 H ARG 57 -0.731 19.717 -3.205 302 HA ARG 57 HA ARG 57 -2.950 20.922 -1.798 303 HB2 ARG 57 HB1 ARG 57 -1.435 22.802 -1.418 304 HB3 ARG 57 HB2 ARG 57 -0.659 21.267 -1.003 305 HG2 ARG 57 HG1 ARG 57 0.706 21.298 -2.924 306 HG3 ARG 57 HG2 ARG 57 -0.255 22.587 -3.666 307 HD2 ARG 57 HD1 ARG 57 0.448 23.941 -1.525 308 HD3 ARG 57 HD2 ARG 57 1.755 22.749 -1.466 309 HE ARG 57 HE ARG 57 1.436 23.991 -4.041 310 HH11 ARG 57 HH11 ARG 57 2.924 24.230 -0.903 311 HH12 ARG 57 HH12 ARG 57 4.215 25.248 -1.449 312 HH21 ARG 57 HH21 ARG 57 3.130 25.332 -4.772 313 HH22 ARG 57 HH22 ARG 57 4.331 25.876 -3.649 314 H ASP 58 H ASP 58 -1.566 21.002 -4.971 315 HA ASP 58 HA ASP 58 -3.013 23.417 -5.715 316 HB2 ASP 58 HB1 ASP 58 -0.614 22.441 -6.530 317 HB3 ASP 58 HB2 ASP 58 -1.666 21.828 -7.812 318 HD2 ASP 58 HD ASP 58 -1.748 24.895 -9.301 319 H GLU 59 H GLU 59 -3.345 19.990 -5.876 320 HA GLU 59 HA GLU 59 -5.754 20.322 -7.540 321 HB2 GLU 59 HB1 GLU 59 -3.676 18.140 -7.559 322 HB3 GLU 59 HB2 GLU 59 -5.309 17.870 -8.187 323 HG2 GLU 59 HG1 GLU 59 -4.918 19.901 -9.671 324 HG3 GLU 59 HG2 GLU 59 -3.216 19.758 -9.210 325 HE2 GLU 59 HE GLU 59 -4.631 16.673 -11.283 326 H LYS 60 H LYS 60 -7.058 18.070 -7.282 327 HA LYS 60 HA LYS 60 -7.818 18.036 -4.487 328 HB2 LYS 60 HB1 LYS 60 -9.006 17.140 -7.056 329 HB3 LYS 60 HB2 LYS 60 -9.468 16.228 -5.611 330 HG2 LYS 60 HG1 LYS 60 -10.078 18.435 -4.543 331 HG3 LYS 60 HG2 LYS 60 -9.874 19.156 -6.148 332 HD2 LYS 60 HD1 LYS 60 -12.068 18.685 -6.383 333 HD3 LYS 60 HD2 LYS 60 -11.476 17.055 -6.747 334 HE2 LYS 60 HE1 LYS 60 -11.779 17.599 -3.874 335 HE3 LYS 60 HE2 LYS 60 -13.287 17.673 -4.796 336 HZ1 LYS 60 HZ1 LYS 60 -12.917 15.449 -3.998 337 HZ2 LYS 60 HZ2 LYS 60 -11.391 15.388 -4.726 338 HZ3 LYS 60 HZ3 LYS 60 -12.782 15.458 -5.686 339 HA PRO 61 HA PRO 61 -5.909 14.277 -3.272 340 HB2 PRO 61 HB1 PRO 61 -7.837 13.106 -1.719 341 HB3 PRO 61 HB2 PRO 61 -6.923 14.531 -1.225 342 HG2 PRO 61 HG1 PRO 61 -9.653 14.353 -2.453 343 HG3 PRO 61 HG2 PRO 61 -9.094 15.346 -1.056 344 HD2 PRO 61 HD1 PRO 61 -9.437 16.379 -3.543 345 HD3 PRO 61 HD2 PRO 61 -8.176 16.948 -2.435 346 H PHE 62 H PHE 62 -5.501 12.503 -4.417 347 HA PHE 62 HA PHE 62 -7.681 10.771 -5.264 348 HB2 PHE 62 HB1 PHE 62 -6.679 10.622 -7.588 349 HB3 PHE 62 HB2 PHE 62 -7.530 12.121 -7.213 350 HD1 PHE 62 HD1 PHE 62 -6.543 14.109 -7.784 351 HD2 PHE 62 HD2 PHE 62 -4.075 10.727 -7.022 352 HE1 PHE 62 HE1 PHE 62 -4.557 15.424 -8.402 353 HE2 PHE 62 HE2 PHE 62 -2.084 12.036 -7.638 354 HZ PHE 62 HZ PHE 62 -2.324 14.388 -8.328 355 H CYS 63 H CYS 63 -6.565 8.853 -6.598 356 HA CYS 63 HA CYS 63 -4.457 7.859 -4.827 357 HB2 CYS 63 HB1 CYS 63 -6.464 6.476 -5.051 358 HB3 CYS 63 HB2 CYS 63 -6.226 6.397 -6.798 359 H ALA 64 H ALA 64 -2.433 7.493 -5.495 360 HA ALA 64 HA ALA 64 -1.852 7.874 -8.359 361 HB1 ALA 64 HB1 ALA 64 -0.701 9.030 -6.005 362 HB2 ALA 64 HB2 ALA 64 0.530 8.129 -6.890 363 HB3 ALA 64 HB3 ALA 64 -0.384 9.401 -7.700 364 H THR 65 H THR 65 -0.860 6.297 -9.468 365 HA THR 65 HA THR 65 -0.745 3.681 -8.557 366 HB THR 65 HB THR 65 1.267 4.107 -10.584 367 HG1 THR 65 HG1 THR 65 0.301 5.506 -11.855 368 HG21 THR 65 HG21 THR 65 -0.377 2.760 -11.923 369 HG22 THR 65 HG22 THR 65 -1.460 2.820 -10.533 370 HG23 THR 65 HG23 THR 65 0.109 2.026 -10.395 371 H CYS 66 H CYS 66 1.191 2.283 -8.362 372 HA CYS 66 HA CYS 66 2.846 3.079 -6.276 373 HB2 CYS 66 HB1 CYS 66 2.349 0.722 -6.974 374 HB3 CYS 66 HB2 CYS 66 3.478 0.936 -8.313 375 H ARG 67 H ARG 67 4.927 3.836 -6.130 376 HA ARG 67 HA ARG 67 5.973 5.092 -8.560 377 HB2 ARG 67 HB1 ARG 67 6.686 5.527 -5.650 378 HB3 ARG 67 HB2 ARG 67 7.364 6.426 -7.014 379 HG2 ARG 67 HG1 ARG 67 4.417 6.408 -6.843 380 HG3 ARG 67 HG2 ARG 67 5.273 7.273 -5.554 381 HD2 ARG 67 HD1 ARG 67 6.401 8.684 -7.130 382 HD3 ARG 67 HD2 ARG 67 5.813 7.709 -8.484 383 HE ARG 67 HE ARG 67 4.364 9.754 -7.062 384 HH11 ARG 67 HH11 ARG 67 4.125 6.938 -9.098 385 HH12 ARG 67 HH12 ARG 67 2.559 7.353 -9.710 386 HH21 ARG 67 HH21 ARG 67 2.302 10.310 -7.861 387 HH22 ARG 67 HH22 ARG 67 1.522 9.272 -9.007 388 H GLY 68 H GLY 68 7.822 4.466 -9.505 389 HA2 GLY 68 HA2 GLY 68 9.091 2.049 -8.616 390 HA3 GLY 68 HA3 GLY 68 9.532 3.002 -10.026 391 HA1 GLY 68 HA1 GLY 68 8.995 2.668 -7.995 392 H LEU 69 H LEU 69 11.701 2.261 -9.120 393 HA LEU 69 HA LEU 69 12.684 3.587 -6.782 394 HB2 LEU 69 HB1 LEU 69 13.884 1.913 -8.955 395 HB3 LEU 69 HB2 LEU 69 14.939 2.833 -7.870 396 HG LEU 69 HG LEU 69 12.960 0.720 -7.019 397 HD11 LEU 69 HD11 LEU 69 15.349 -0.229 -6.288 398 HD12 LEU 69 HD12 LEU 69 15.828 0.669 -7.727 399 HD13 LEU 69 HD13 LEU 69 14.604 -0.595 -7.844 400 HD21 LEU 69 HD21 LEU 69 14.834 2.507 -5.501 401 HD22 LEU 69 HD22 LEU 69 14.294 0.959 -4.849 402 HD23 LEU 69 HD23 LEU 69 13.115 2.217 -5.226 403 H ARG 70 H ARG 70 12.465 4.355 -10.148 404 HA ARG 70 HA ARG 70 14.361 6.560 -9.907 405 HB2 ARG 70 HB1 ARG 70 12.875 5.320 -12.218 406 HB3 ARG 70 HB2 ARG 70 13.706 6.875 -12.377 407 HG2 ARG 70 HG1 ARG 70 15.508 5.035 -11.164 408 HG3 ARG 70 HG2 ARG 70 14.791 4.273 -12.593 409 HD2 ARG 70 HD1 ARG 70 16.549 5.359 -13.583 410 HD3 ARG 70 HD2 ARG 70 15.306 6.613 -13.690 411 HE ARG 70 HE ARG 70 16.821 6.805 -11.276 412 HH11 ARG 70 HH11 ARG 70 16.834 7.562 -14.675 413 HH12 ARG 70 HH12 ARG 70 17.920 8.902 -14.506 414 HH21 ARG 70 HH21 ARG 70 18.251 8.567 -11.041 415 HH22 ARG 70 HH22 ARG 70 18.727 9.472 -12.439 416 H ARG 71 H ARG 71 11.452 6.255 -8.792 417 HA ARG 71 HA ARG 71 10.259 8.654 -9.960 418 HB2 ARG 71 HB1 ARG 71 9.276 6.347 -8.372 419 HB3 ARG 71 HB2 ARG 71 8.475 7.900 -8.087 420 HG2 ARG 71 HG1 ARG 71 8.825 6.714 -10.836 421 HG3 ARG 71 HG2 ARG 71 7.409 6.419 -9.814 422 HD2 ARG 71 HD1 ARG 71 6.997 8.857 -9.703 423 HD3 ARG 71 HD2 ARG 71 8.374 9.106 -10.785 424 HE ARG 71 HE ARG 71 6.600 7.317 -12.009 425 HH11 ARG 71 HH11 ARG 71 6.777 10.662 -11.059 426 HH12 ARG 71 HH12 ARG 71 5.708 11.208 -12.308 427 HH21 ARG 71 HH21 ARG 71 5.191 8.024 -13.658 428 HH22 ARG 71 HH22 ARG 71 4.805 9.707 -13.785 429 H ARG 72 H ARG 72 10.421 10.584 -9.032 430 HA ARG 72 HA ARG 72 11.910 10.965 -6.644 431 HB2 ARG 72 HB1 ARG 72 10.168 12.912 -8.176 432 HB3 ARG 72 HB2 ARG 72 11.339 13.346 -6.923 433 HG2 ARG 72 HG1 ARG 72 12.337 11.763 -9.230 434 HG3 ARG 72 HG2 ARG 72 11.921 13.462 -9.506 435 HD2 ARG 72 HD1 ARG 72 13.751 12.524 -7.290 436 HD3 ARG 72 HD2 ARG 72 14.315 13.046 -8.883 437 HE ARG 72 HE ARG 72 12.634 14.974 -7.572 438 HH11 ARG 72 HH11 ARG 72 15.885 13.780 -7.931 439 HH12 ARG 72 HH12 ARG 72 16.625 15.271 -7.448 440 HH21 ARG 72 HH21 ARG 72 13.596 16.942 -6.936 441 HH22 ARG 72 HH22 ARG 72 15.322 17.068 -6.881 442 H CYS 73 H CYS 73 11.261 10.995 -4.595 443 HA CYS 73 HA CYS 73 8.386 11.327 -4.039 444 HB2 CYS 73 HB1 CYS 73 8.591 9.730 -2.204 445 HB3 CYS 73 HB2 CYS 73 9.051 8.983 -3.735 446 H GLN 74 H GLN 74 7.874 12.198 -1.929 447 HA GLN 74 HA GLN 74 9.994 13.986 -0.944 448 HB2 GLN 74 HB1 GLN 74 7.186 14.386 -1.587 449 HB3 GLN 74 HB2 GLN 74 7.570 14.922 0.056 450 HG2 GLN 74 HG1 GLN 74 8.239 16.835 -0.848 451 HG3 GLN 74 HG2 GLN 74 9.646 15.938 -1.439 452 HE21 GLN 74 HE21 GLN 74 8.180 18.232 -2.573 453 HE22 GLN 74 HE22 GLN 74 7.729 17.747 -4.169 454 H ARG 75 H ARG 75 7.411 11.793 0.030 455 HA ARG 75 HA ARG 75 8.523 11.803 2.761 456 HB2 ARG 75 HB1 ARG 75 5.921 12.357 1.971 457 HB3 ARG 75 HB2 ARG 75 5.848 10.672 2.508 458 HG2 ARG 75 HG1 ARG 75 7.203 11.633 4.569 459 HG3 ARG 75 HG2 ARG 75 6.406 13.133 4.064 460 HD2 ARG 75 HD1 ARG 75 4.355 11.285 3.960 461 HD3 ARG 75 HD2 ARG 75 5.295 10.776 5.371 462 HE ARG 75 HE ARG 75 4.573 12.639 6.483 463 HH11 ARG 75 HH11 ARG 75 4.014 13.062 3.072 464 HH12 ARG 75 HH12 ARG 75 3.113 14.529 3.269 465 HH21 ARG 75 HH21 ARG 75 3.387 14.569 6.755 466 HH22 ARG 75 HH22 ARG 75 2.758 15.385 5.364 467 H ASP 76 H ASP 76 8.061 9.681 3.934 468 HA ASP 76 HA ASP 76 9.213 7.559 2.385 469 HB2 ASP 76 HB1 ASP 76 9.541 8.142 4.914 470 HB3 ASP 76 HB2 ASP 76 8.080 7.170 5.136 471 HD2 ASP 76 HD ASP 76 10.803 4.937 3.411 472 H ALA 77 H ALA 77 6.056 8.203 3.838 473 HA ALA 77 HA ALA 77 4.935 5.687 3.054 474 HB1 ALA 77 HB1 ALA 77 3.368 8.149 3.774 475 HB2 ALA 77 HB2 ALA 77 2.912 6.456 3.975 476 HB3 ALA 77 HB3 ALA 77 4.177 7.154 4.987 477 H MET 78 H MET 78 5.234 8.839 1.608 478 HA MET 78 HA MET 78 3.197 8.774 -0.277 479 HB2 MET 78 HB1 MET 78 5.747 10.188 0.062 480 HB3 MET 78 HB2 MET 78 5.251 10.005 -1.628 481 HG2 MET 78 HG1 MET 78 2.955 10.893 -0.806 482 HG3 MET 78 HG2 MET 78 3.878 11.460 0.589 483 HE1 MET 78 HE1 MET 78 5.315 11.523 -3.307 484 HE2 MET 78 HE2 MET 78 3.570 11.323 -3.150 485 HE3 MET 78 HE3 MET 78 4.233 12.844 -3.749 486 H CYS 79 H CYS 79 6.213 7.048 -0.179 487 HA CYS 79 HA CYS 79 5.937 6.154 -2.942 488 HB2 CYS 79 HB1 CYS 79 8.113 6.506 -1.131 489 HB3 CYS 79 HB2 CYS 79 8.050 4.801 -1.580 490 H CYS 80 H CYS 80 6.789 3.634 -2.980 491 HA CYS 80 HA CYS 80 4.577 2.198 -1.750 492 HB2 CYS 80 HB1 CYS 80 6.430 1.744 -4.022 493 HB3 CYS 80 HB2 CYS 80 5.891 0.301 -3.163 494 HA PRO 81 HA PRO 81 6.835 0.188 1.427 495 HB2 PRO 81 HB1 PRO 81 5.796 -2.345 1.382 496 HB3 PRO 81 HB2 PRO 81 4.904 -0.939 1.959 497 HG2 PRO 81 HG1 PRO 81 4.831 -2.267 -0.730 498 HG3 PRO 81 HG2 PRO 81 3.463 -1.698 0.298 499 HD2 PRO 81 HD1 PRO 81 4.376 -0.291 -1.838 500 HD3 PRO 81 HD2 PRO 81 3.735 0.488 -0.382 501 H GLY 82 H GLY 82 8.584 -1.171 1.861 502 HA2 GLY 82 HA2 GLY 82 10.089 -2.943 1.326 503 HA3 GLY 82 HA3 GLY 82 9.585 -2.822 -0.352 504 HA1 GLY 82 HA1 GLY 82 10.097 -2.096 1.580 505 H THR 83 H THR 83 9.819 0.194 -0.094 506 HA THR 83 HA THR 83 12.758 0.333 -0.293 507 HB THR 83 HB THR 83 12.323 2.250 -1.920 508 HG1 THR 83 HG1 THR 83 9.793 0.989 -2.214 509 HG21 THR 83 HG21 THR 83 13.103 0.579 -3.198 510 HG22 THR 83 HG22 THR 83 11.419 0.317 -3.651 511 HG23 THR 83 HG23 THR 83 12.142 -0.634 -2.353 512 H LEU 84 H LEU 84 13.529 2.695 -0.143 513 HA LEU 84 HA LEU 84 12.007 4.102 1.949 514 HB2 LEU 84 HB1 LEU 84 14.140 2.795 2.642 515 HB3 LEU 84 HB2 LEU 84 14.999 4.130 1.855 516 HG LEU 84 HG LEU 84 13.597 5.638 3.439 517 HD11 LEU 84 HD11 LEU 84 12.075 4.300 4.496 518 HD12 LEU 84 HD12 LEU 84 13.393 4.253 5.666 519 HD13 LEU 84 HD13 LEU 84 13.162 2.910 4.545 520 HD21 LEU 84 HD21 LEU 84 15.973 5.514 3.609 521 HD22 LEU 84 HD22 LEU 84 15.895 3.908 4.335 522 HD23 LEU 84 HD23 LEU 84 15.311 5.309 5.231 523 H CYS 85 H CYS 85 11.886 6.297 1.797 524 HA CYS 85 HA CYS 85 12.504 7.466 -0.745 525 HB2 CYS 85 HB1 CYS 85 10.486 7.954 0.783 526 HB3 CYS 85 HB2 CYS 85 11.594 8.986 1.689 527 H VAL 86 H VAL 86 14.617 7.798 -1.146 528 HA VAL 86 HA VAL 86 16.088 9.502 0.752 529 HB VAL 86 HB VAL 86 17.247 7.198 -0.823 530 HG11 VAL 86 HG11 VAL 86 19.340 7.724 0.336 531 HG12 VAL 86 HG12 VAL 86 18.803 9.065 -0.677 532 HG13 VAL 86 HG13 VAL 86 18.576 9.133 1.070 533 HG21 VAL 86 HG21 VAL 86 17.702 7.041 1.987 534 HG22 VAL 86 HG22 VAL 86 15.976 7.262 1.701 535 HG23 VAL 86 HG23 VAL 86 16.829 5.918 0.943 536 H ASN 87 H ASN 87 17.342 11.108 -0.122 537 HA ASN 87 HA ASN 87 17.990 12.677 -1.636 538 HB2 ASN 87 HB1 ASN 87 19.076 10.380 -2.482 539 HB3 ASN 87 HB2 ASN 87 18.034 10.710 -3.870 540 HD21 ASN 87 HD21 ASN 87 20.886 11.583 -2.198 541 HD22 ASN 87 HD22 ASN 87 21.417 12.815 -3.286 542 H ASP 88 H ASP 88 15.160 12.163 -1.290 543 HA ASP 88 HA ASP 88 13.176 12.876 -2.144 544 HB2 ASP 88 HB1 ASP 88 15.151 14.555 -3.298 545 HB3 ASP 88 HB2 ASP 88 14.004 14.146 -4.580 546 HD2 ASP 88 HD ASP 88 11.716 16.345 -3.333 547 H VAL 89 H VAL 89 14.501 10.356 -3.042 548 HA VAL 89 HA VAL 89 12.655 9.784 -5.220 549 HB VAL 89 HB VAL 89 14.750 10.420 -6.358 550 HG11 VAL 89 HG11 VAL 89 15.908 8.158 -4.741 551 HG12 VAL 89 HG12 VAL 89 16.700 8.864 -6.152 552 HG13 VAL 89 HG13 VAL 89 16.394 9.852 -4.723 553 HG21 VAL 89 HG21 VAL 89 14.158 7.469 -6.548 554 HG22 VAL 89 HG22 VAL 89 13.230 8.745 -7.335 555 HG23 VAL 89 HG23 VAL 89 14.912 8.470 -7.788 556 H CYS 90 H CYS 90 12.115 7.593 -5.415 557 HA CYS 90 HA CYS 90 12.195 6.102 -3.020 558 HB2 CYS 90 HB1 CYS 90 10.816 5.993 -5.477 559 HB3 CYS 90 HB2 CYS 90 11.633 4.438 -5.309 560 H THR 91 H THR 91 14.046 5.312 -2.242 561 HA THR 91 HA THR 91 15.800 3.824 -4.088 562 HB THR 91 HB THR 91 16.593 5.316 -1.579 563 HG1 THR 91 HG1 THR 91 16.338 6.775 -3.231 564 HG21 THR 91 HG21 THR 91 18.888 4.725 -2.186 565 HG22 THR 91 HG22 THR 91 18.291 3.784 -3.554 566 HG23 THR 91 HG23 THR 91 17.920 3.278 -1.906 567 H THR 92 H THR 92 15.872 1.712 -3.736 568 HA THR 92 HA THR 92 14.500 0.338 -1.785 569 HB THR 92 HB THR 92 15.206 -0.939 -3.625 570 HG1 THR 92 HG1 THR 92 16.460 -2.610 -2.627 571 HG21 THR 92 HG21 THR 92 17.730 -1.305 -4.000 572 HG22 THR 92 HG22 THR 92 17.938 0.148 -3.021 573 HG23 THR 92 HG23 THR 92 17.023 0.222 -4.527 574 H MET 93 H MET 93 15.231 -0.910 0.048 575 HA MET 93 HA MET 93 17.015 0.614 1.726 576 HB2 MET 93 HB1 MET 93 15.039 -1.559 2.086 577 HB3 MET 93 HB2 MET 93 16.397 -1.558 3.223 578 HG2 MET 93 HG1 MET 93 15.799 0.982 3.487 579 HG3 MET 93 HG2 MET 93 14.234 0.456 2.861 580 HE1 MET 93 HE1 MET 93 16.917 -0.289 5.741 581 HE2 MET 93 HE2 MET 93 16.097 1.269 5.826 582 HE3 MET 93 HE3 MET 93 15.791 0.043 7.057 583 H GLU 94 H GLU 94 17.564 -1.614 -0.591 584 HA GLU 94 HA GLU 94 19.586 -3.161 0.805 585 HB2 GLU 94 HB1 GLU 94 18.881 -3.137 -2.139 586 HB3 GLU 94 HB2 GLU 94 19.876 -4.338 -1.300 587 HG2 GLU 94 HG1 GLU 94 17.015 -3.841 -0.529 588 HG3 GLU 94 HG2 GLU 94 17.460 -4.953 -1.830 589 HE2 GLU 94 HE GLU 94 19.227 -6.896 0.722 590 H ASP 95 H ASP 95 19.382 -0.562 -1.557 591 HA ASP 95 HA ASP 95 22.272 -0.460 -1.854 592 HB2 ASP 95 HB1 ASP 95 19.995 0.439 -3.371 593 HB3 ASP 95 HB2 ASP 95 21.084 1.800 -3.067 594 HD2 ASP 95 HD ASP 95 23.664 0.248 -4.914 595 H ALA 96 H ALA 96 19.682 1.320 -0.292 596 HA ALA 96 HA ALA 96 21.131 3.629 0.404 597 HB1 ALA 96 HB1 ALA 96 18.610 3.228 0.516 598 HB2 ALA 96 HB2 ALA 96 18.924 2.483 2.085 599 HB3 ALA 96 HB3 ALA 96 19.343 4.175 1.811 600 H THR 97 H THR 97 23.038 3.491 1.421 601 HA THR 97 HA THR 97 23.303 1.654 3.697 602 HB THR 97 HB THR 97 25.501 3.143 2.253 603 HG1 THR 97 HG1 THR 97 25.665 1.443 0.948 604 HG21 THR 97 HG21 THR 97 26.879 1.290 3.340 605 HG22 THR 97 HG22 THR 97 25.471 0.999 4.363 606 HG23 THR 97 HG23 THR 97 26.281 2.565 4.401 607 H GLU 98 H GLU 98 24.567 4.881 2.835 608 HA GLU 98 HA GLU 98 24.528 5.623 5.653 609 HB2 GLU 98 HB1 GLU 98 25.775 7.601 4.967 610 HB3 GLU 98 HB2 GLU 98 26.528 6.134 4.323 611 HG2 GLU 98 HG1 GLU 98 24.760 6.927 2.329 612 HG3 GLU 98 HG2 GLU 98 25.473 8.431 2.929 613 HE2 GLU 98 HE GLU 98 28.505 7.744 1.467 614 H ASN 99 H ASN 99 23.878 8.014 6.048 615 HA ASN 99 HA ASN 99 21.675 8.955 4.433 616 HB2 ASN 99 HB1 ASN 99 20.535 7.298 5.808 617 HB3 ASN 99 HB2 ASN 99 21.219 8.012 7.273 618 HD21 ASN 99 HD21 ASN 99 19.941 9.321 8.343 619 HD22 ASN 99 HD22 ASN 99 18.629 10.232 7.686 620 H LEU 100 H LEU 100 22.065 11.054 4.276 621 HA LEU 100 HA LEU 100 22.616 13.202 4.778 622 HB2 LEU 100 HB1 LEU 100 20.908 12.431 6.706 623 HB3 LEU 100 HB2 LEU 100 22.336 12.791 7.693 624 HG LEU 100 HG LEU 100 22.223 15.045 6.232 625 HD11 LEU 100 HD11 LEU 100 20.324 14.821 4.978 626 HD12 LEU 100 HD12 LEU 100 19.663 15.597 6.417 627 HD13 LEU 100 HD13 LEU 100 19.495 13.855 6.198 628 HD21 LEU 100 HD21 LEU 100 22.084 14.485 8.805 629 HD22 LEU 100 HD22 LEU 100 20.383 14.885 8.565 630 HD23 LEU 100 HD23 LEU 100 21.631 16.073 8.186 631 H TYR 101 H TYR 101 24.118 14.576 6.236 632 HA TYR 101 HA TYR 101 26.543 12.996 6.797 633 HB2 TYR 101 HB1 TYR 101 26.165 15.103 4.957 634 HB3 TYR 101 HB2 TYR 101 27.115 15.775 6.285 635 HD1 TYR 101 HD1 TYR 101 27.049 12.658 4.214 636 HD2 TYR 101 HD2 TYR 101 29.408 15.638 6.125 637 HE1 TYR 101 HE1 TYR 101 29.084 11.617 3.310 638 HE2 TYR 101 HE2 TYR 101 31.452 14.604 5.227 639 HH TYR 101 HH TYR 101 32.304 12.912 4.070 640 H PHE 102 H PHE 102 28.043 14.034 8.362 641 HA PHE 102 HA PHE 102 26.621 15.637 10.377 642 HB2 PHE 102 HB1 PHE 102 27.554 14.317 12.171 643 HB3 PHE 102 HB2 PHE 102 26.699 13.246 11.060 644 HD1 PHE 102 HD1 PHE 102 27.842 11.588 9.772 645 HD2 PHE 102 HD2 PHE 102 30.011 14.294 12.239 646 HE1 PHE 102 HE1 PHE 102 29.854 10.193 9.527 647 HE2 PHE 102 HE2 PHE 102 32.027 12.905 11.998 648 HZ PHE 102 HZ PHE 102 31.950 10.852 10.639 649 H GLN 103 H GLN 103 27.894 17.050 11.604 650 HA GLN 103 HA GLN 103 30.729 17.191 11.320 651 HB2 GLN 103 HB1 GLN 103 29.102 18.561 9.376 652 HB3 GLN 103 HB2 GLN 103 30.005 19.735 10.347 653 HG2 GLN 103 HG1 GLN 103 32.065 18.954 9.648 654 HG3 GLN 103 HG2 GLN 103 31.415 17.376 9.186 655 HE21 GLN 103 HE21 GLN 103 31.138 20.808 8.347 656 HE22 GLN 103 HE22 GLN 103 30.979 20.557 6.645 657 H SER 104 H SER 104 31.623 18.360 12.942 658 HA SER 104 HA SER 104 30.321 20.516 14.257 659 HB2 SER 104 HB1 SER 104 28.908 18.937 15.313 660 HB3 SER 104 HB2 SER 104 30.242 17.797 15.559 661 HG SER 104 HG SER 104 29.856 20.287 16.863 662 H LEU 105 H LEU 105 32.253 21.582 14.053 663 HA LEU 105 HA LEU 105 34.447 20.577 15.738 664 HB2 LEU 105 HB1 LEU 105 35.070 20.264 13.421 665 HB3 LEU 105 HB2 LEU 105 34.658 21.950 13.063 666 HG LEU 105 HG LEU 105 36.595 22.021 15.108 667 HD11 LEU 105 HD11 LEU 105 37.152 19.965 13.000 668 HD12 LEU 105 HD12 LEU 105 37.391 19.862 14.744 669 HD13 LEU 105 HD13 LEU 105 38.456 20.871 13.767 670 HD21 LEU 105 HD21 LEU 105 36.364 22.789 12.249 671 HD22 LEU 105 HD22 LEU 105 37.969 22.801 12.980 672 HD23 LEU 105 HD23 LEU 105 36.677 23.786 13.670 673 H GLU 106 H GLU 106 34.643 21.881 17.427 674 HA GLU 106 HA GLU 106 34.696 24.770 16.988 675 HB2 GLU 106 HB1 GLU 106 32.915 23.341 18.965 676 HB3 GLU 106 HB2 GLU 106 33.328 25.057 19.108 677 HG2 GLU 106 HG1 GLU 106 32.295 25.531 16.969 678 HG3 GLU 106 HG2 GLU 106 31.950 23.812 16.739 679 HE2 GLU 106 HE GLU 106 29.863 24.888 19.836 680 H HIS 107 H HIS 107 36.810 25.028 17.477 681 HA HIS 107 HA HIS 107 37.630 24.313 20.208 682 HB2 HIS 107 HB1 HIS 107 39.297 24.014 17.697 683 HB3 HIS 107 HB2 HIS 107 39.906 23.807 19.343 684 HD1 HIS 107 HD1 HIS 107 38.478 21.871 20.755 685 HD2 HIS 107 HD2 HIS 107 38.513 21.659 16.605 686 HE1 HIS 107 HE1 HIS 107 37.835 19.504 20.196 687 HE2 HIS 107 HE2 HIS 107 37.857 19.373 17.660 688 H HIS 108 H HIS 108 39.580 25.568 20.920 689 HA HIS 108 HA HIS 108 40.551 27.569 21.399 690 HB2 HIS 108 HB1 HIS 108 41.286 27.146 18.953 691 HB3 HIS 108 HB2 HIS 108 40.107 28.394 18.541 692 HD1 HIS 108 HD1 HIS 108 40.498 30.741 19.983 693 HD2 HIS 108 HD2 HIS 108 43.737 28.189 19.474 694 HE1 HIS 108 HE1 HIS 108 42.538 32.149 20.409 695 HE2 HIS 108 HE2 HIS 108 44.518 30.591 20.098 696 H HIS 109 H HIS 109 38.893 28.305 22.744 697 HA HIS 109 HA HIS 109 37.396 30.560 21.647 698 HB2 HIS 109 HB1 HIS 109 36.222 28.039 22.552 699 HB3 HIS 109 HB2 HIS 109 35.566 29.441 23.402 700 HD1 HIS 109 HD1 HIS 109 34.741 31.451 21.685 701 HD2 HIS 109 HD2 HIS 109 34.976 27.585 20.181 702 HE1 HIS 109 HE1 HIS 109 33.318 31.448 19.612 703 HE2 HIS 109 HE2 HIS 109 33.461 29.086 18.692 704 H HIS 110 H HIS 110 37.488 32.278 22.946 705 HA HIS 110 HA HIS 110 37.907 31.889 25.819 706 HB2 HIS 110 HB1 HIS 110 39.989 32.567 24.124 707 HB3 HIS 110 HB2 HIS 110 39.458 34.128 24.758 708 HD1 HIS 110 HD1 HIS 110 41.039 34.728 26.564 709 HD2 HIS 110 HD2 HIS 110 39.920 30.731 26.750 710 HE1 HIS 110 HE1 HIS 110 42.117 33.824 28.648 711 HE2 HIS 110 HE2 HIS 110 41.434 31.380 28.763 712 H HIS 111 H HIS 111 37.908 34.224 26.876 713 HA HIS 111 HA HIS 111 36.070 36.045 25.558 714 HB2 HIS 111 HB1 HIS 111 34.450 36.037 27.398 715 HB3 HIS 111 HB2 HIS 111 34.552 34.450 26.627 716 HD1 HIS 111 HD1 HIS 111 36.001 32.610 27.958 717 HD2 HIS 111 HD2 HIS 111 34.897 35.993 30.103 718 HE1 HIS 111 HE1 HIS 111 36.302 31.999 30.380 719 HE2 HIS 111 HE2 HIS 111 35.628 34.067 31.691 720 H HIS 112 H HIS 112 38.756 36.362 26.266 721 HA HIS 112 HA HIS 112 40.198 37.731 27.381 722 HB2 HIS 112 HB1 HIS 112 37.618 39.282 27.398 723 HB3 HIS 112 HB2 HIS 112 39.070 39.939 28.161 724 HD1 HIS 112 HD1 HIS 112 37.374 39.912 25.012 725 HD2 HIS 112 HD2 HIS 112 41.352 39.991 26.208 726 HE1 HIS 112 HE1 HIS 112 38.660 40.744 23.017 727 HE2 HIS 112 HE2 HIS 112 41.091 40.791 23.748 Start of MODEL 54 1 H1 MET 18 H MET 18 -10.788 27.507 8.771 2 HA MET 18 HA MET 18 -12.818 28.071 9.837 3 HB2 MET 18 HB1 MET 18 -13.720 28.902 7.067 4 HB3 MET 18 HB2 MET 18 -14.681 29.028 8.548 5 HG2 MET 18 HG1 MET 18 -13.881 31.073 8.836 6 HG3 MET 18 HG2 MET 18 -12.297 30.348 9.122 7 HE1 MET 18 HE1 MET 18 -13.840 32.914 5.949 8 HE2 MET 18 HE2 MET 18 -14.230 31.315 5.317 9 HE3 MET 18 HE3 MET 18 -14.782 31.786 6.926 10 H LEU 19 H LEU 19 -15.077 27.068 9.651 11 HA LEU 19 HA LEU 19 -16.308 25.159 9.525 12 HB2 LEU 19 HB1 LEU 19 -15.034 24.774 6.817 13 HB3 LEU 19 HB2 LEU 19 -16.613 24.195 7.373 14 HG LEU 19 HG LEU 19 -15.985 27.123 7.081 15 HD11 LEU 19 HD11 LEU 19 -15.810 26.696 4.882 16 HD12 LEU 19 HD12 LEU 19 -17.567 26.559 4.962 17 HD13 LEU 19 HD13 LEU 19 -16.566 25.108 5.022 18 HD21 LEU 19 HD21 LEU 19 -18.581 25.588 7.150 19 HD22 LEU 19 HD22 LEU 19 -18.407 27.338 7.004 20 HD23 LEU 19 HD23 LEU 19 -17.901 26.520 8.484 21 H VAL 20 H VAL 20 -15.288 23.972 11.127 22 HA VAL 20 HA VAL 20 -13.222 22.075 10.228 23 HB VAL 20 HB VAL 20 -12.572 21.836 12.570 24 HG11 VAL 20 HG11 VAL 20 -11.322 23.756 12.675 25 HG12 VAL 20 HG12 VAL 20 -11.822 23.789 10.982 26 HG13 VAL 20 HG13 VAL 20 -12.661 24.786 12.171 27 HG21 VAL 20 HG21 VAL 20 -14.107 22.261 14.127 28 HG22 VAL 20 HG22 VAL 20 -13.758 23.972 13.882 29 HG23 VAL 20 HG23 VAL 20 -15.085 23.209 13.007 30 H LEU 21 H LEU 21 -13.458 19.899 10.606 31 HA LEU 21 HA LEU 21 -16.179 19.018 11.178 32 HB2 LEU 21 HB1 LEU 21 -15.554 16.913 10.228 33 HB3 LEU 21 HB2 LEU 21 -14.980 18.210 9.166 34 HG LEU 21 HG LEU 21 -12.777 17.755 10.713 35 HD11 LEU 21 HD11 LEU 21 -14.264 15.697 11.498 36 HD12 LEU 21 HD12 LEU 21 -12.517 15.578 11.301 37 HD13 LEU 21 HD13 LEU 21 -13.589 14.987 10.031 38 HD21 LEU 21 HD21 LEU 21 -11.799 17.055 8.755 39 HD22 LEU 21 HD22 LEU 21 -13.239 17.866 8.139 40 HD23 LEU 21 HD23 LEU 21 -13.202 16.106 8.264 41 H ASP 22 H ASP 22 -16.743 17.667 12.838 42 HA ASP 22 HA ASP 22 -14.892 16.318 14.503 43 HB2 ASP 22 HB1 ASP 22 -14.504 18.717 15.187 44 HB3 ASP 22 HB2 ASP 22 -16.170 18.740 15.780 45 HD2 ASP 22 HD ASP 22 -14.680 17.756 18.743 46 H PHE 23 H PHE 23 -17.035 15.336 13.263 47 HA PHE 23 HA PHE 23 -18.884 14.789 15.478 48 HB2 PHE 23 HB1 PHE 23 -19.587 16.309 13.269 49 HB3 PHE 23 HB2 PHE 23 -20.171 14.695 12.855 50 HD1 PHE 23 HD1 PHE 23 -21.143 17.662 14.280 51 HD2 PHE 23 HD2 PHE 23 -21.329 13.470 14.991 52 HE1 PHE 23 HE1 PHE 23 -23.125 17.994 15.699 53 HE2 PHE 23 HE2 PHE 23 -23.311 13.795 16.411 54 HZ PHE 23 HZ PHE 23 -24.213 16.058 16.766 55 H ASN 24 H ASN 24 -18.074 12.780 15.908 56 HA ASN 24 HA ASN 24 -18.213 10.814 13.717 57 HB2 ASN 24 HB1 ASN 24 -16.454 10.669 16.177 58 HB3 ASN 24 HB2 ASN 24 -16.451 9.552 14.808 59 HD21 ASN 24 HD21 ASN 24 -15.139 12.371 16.097 60 HD22 ASN 24 HD22 ASN 24 -14.243 12.886 14.713 61 H ASN 25 H ASN 25 -19.734 9.320 13.931 62 HA ASN 25 HA ASN 25 -20.291 7.942 16.327 63 HB2 ASN 25 HB1 ASN 25 -21.462 10.403 16.378 64 HB3 ASN 25 HB2 ASN 25 -22.742 9.437 15.633 65 HD21 ASN 25 HD21 ASN 25 -23.569 7.620 16.772 66 HD22 ASN 25 HD22 ASN 25 -23.475 7.551 18.497 67 H ILE 26 H ILE 26 -21.960 6.326 16.068 68 HA ILE 26 HA ILE 26 -22.399 5.677 13.238 69 HB ILE 26 HB ILE 26 -22.603 3.840 15.626 70 HG12 ILE 26 HG11 ILE 26 -20.313 4.619 15.347 71 HG13 ILE 26 HG12 ILE 26 -20.445 2.923 14.853 72 HG21 ILE 26 HG21 ILE 26 -22.548 2.057 13.927 73 HG22 ILE 26 HG22 ILE 26 -23.956 3.105 13.758 74 HG23 ILE 26 HG23 ILE 26 -22.586 3.284 12.662 75 HD11 ILE 26 HD11 ILE 26 -19.519 5.167 13.346 76 HD12 ILE 26 HD12 ILE 26 -19.489 3.451 12.934 77 HD13 ILE 26 HD13 ILE 26 -20.902 4.429 12.537 78 H ARG 27 H ARG 27 -24.092 5.230 16.351 79 HA ARG 27 HA ARG 27 -26.304 5.215 16.886 80 HB2 ARG 27 HB1 ARG 27 -25.814 7.615 15.882 81 HB3 ARG 27 HB2 ARG 27 -26.914 7.053 14.616 82 HG2 ARG 27 HG1 ARG 27 -28.709 6.782 16.135 83 HG3 ARG 27 HG2 ARG 27 -27.633 6.973 17.530 84 HD2 ARG 27 HD1 ARG 27 -28.115 9.150 17.541 85 HD3 ARG 27 HD2 ARG 27 -27.272 9.282 15.991 86 HE ARG 27 HE ARG 27 -29.859 8.397 15.462 87 HH11 ARG 27 HH11 ARG 27 -28.265 11.213 16.747 88 HH12 ARG 27 HH12 ARG 27 -29.494 12.312 16.213 89 HH21 ARG 27 HH21 ARG 27 -31.483 9.834 14.755 90 HH22 ARG 27 HH22 ARG 27 -31.323 11.527 15.081 91 H SER 28 H SER 28 -25.628 3.064 15.382 92 HA SER 28 HA SER 28 -26.461 1.403 14.069 93 HB2 SER 28 HB1 SER 28 -29.158 2.747 14.217 94 HB3 SER 28 HB2 SER 28 -28.780 1.017 14.176 95 HG SER 28 HG SER 28 -28.455 2.828 16.322 96 H SER 29 H SER 29 -28.165 1.123 12.075 97 HA SER 29 HA SER 29 -27.312 3.151 10.121 98 HB2 SER 29 HB1 SER 29 -27.314 0.252 10.088 99 HB3 SER 29 HB2 SER 29 -28.245 0.901 8.727 100 HG SER 29 HG SER 29 -26.166 0.837 8.031 101 H ALA 30 H ALA 30 -28.783 3.884 8.547 102 HA ALA 30 HA ALA 30 -31.545 3.895 9.466 103 HB1 ALA 30 HB1 ALA 30 -31.469 5.997 8.767 104 HB2 ALA 30 HB2 ALA 30 -29.850 5.742 8.115 105 HB3 ALA 30 HB3 ALA 30 -31.263 5.431 7.109 106 H ASP 31 H ASP 31 -33.183 4.027 7.515 107 HA ASP 31 HA ASP 31 -33.140 1.439 6.294 108 HB2 ASP 31 HB1 ASP 31 -35.079 3.611 5.537 109 HB3 ASP 31 HB2 ASP 31 -35.343 1.864 5.635 110 HD2 ASP 31 HD ASP 31 -35.814 4.031 8.889 111 H LEU 32 H LEU 32 -34.213 1.726 3.825 112 HA LEU 32 HA LEU 32 -32.008 2.108 2.176 113 HB2 LEU 32 HB1 LEU 32 -34.290 0.920 1.766 114 HB3 LEU 32 HB2 LEU 32 -34.792 2.508 1.157 115 HG LEU 32 HG LEU 32 -32.970 2.409 -0.513 116 HD11 LEU 32 HD11 LEU 32 -32.184 -0.109 -0.809 117 HD12 LEU 32 HD12 LEU 32 -32.391 -0.107 0.942 118 HD13 LEU 32 HD13 LEU 32 -31.293 1.046 0.183 119 HD21 LEU 32 HD21 LEU 32 -35.397 1.416 -0.731 120 HD22 LEU 32 HD22 LEU 32 -34.520 -0.110 -0.856 121 HD23 LEU 32 HD23 LEU 32 -34.200 1.188 -2.008 122 H HIS 33 H HIS 33 -31.221 3.780 0.986 123 HA HIS 33 HA HIS 33 -32.607 6.181 0.452 124 HB2 HIS 33 HB1 HIS 33 -31.406 6.005 3.047 125 HB3 HIS 33 HB2 HIS 33 -30.523 7.201 2.092 126 HD1 HIS 33 HD1 HIS 33 -33.130 7.152 4.396 127 HD2 HIS 33 HD2 HIS 33 -32.682 8.941 0.674 128 HE1 HIS 33 HE1 HIS 33 -34.808 9.024 4.343 129 HE2 HIS 33 HE2 HIS 33 -34.535 10.119 2.069 130 H GLY 34 H GLY 34 -31.345 7.692 -0.765 131 HA2 GLY 34 HA2 GLY 34 -29.177 6.392 -2.185 132 HA3 GLY 34 HA3 GLY 34 -29.930 7.925 -2.602 133 HA1 GLY 34 HA1 GLY 34 -29.092 6.460 -1.311 134 H ALA 35 H ALA 35 -27.264 7.787 -2.827 135 HA ALA 35 HA ALA 35 -26.376 9.559 -0.675 136 HB1 ALA 35 HB1 ALA 35 -25.619 7.196 -0.211 137 HB2 ALA 35 HB2 ALA 35 -24.612 7.327 -1.653 138 HB3 ALA 35 HB3 ALA 35 -24.343 8.412 -0.289 139 H ARG 36 H ARG 36 -24.125 10.484 -1.288 140 HA ARG 36 HA ARG 36 -24.034 10.978 -4.190 141 HB2 ARG 36 HB1 ARG 36 -23.709 12.994 -1.956 142 HB3 ARG 36 HB2 ARG 36 -23.369 13.324 -3.661 143 HG2 ARG 36 HG1 ARG 36 -25.795 12.617 -4.099 144 HG3 ARG 36 HG2 ARG 36 -26.010 12.801 -2.350 145 HD2 ARG 36 HD1 ARG 36 -24.668 15.116 -3.103 146 HD3 ARG 36 HD2 ARG 36 -25.814 14.826 -4.419 147 HE ARG 36 HE ARG 36 -26.438 15.582 -1.712 148 HH11 ARG 36 HH11 ARG 36 -27.625 14.125 -4.642 149 HH12 ARG 36 HH12 ARG 36 -29.288 14.458 -4.288 150 HH21 ARG 36 HH21 ARG 36 -28.624 16.026 -1.234 151 HH22 ARG 36 HH22 ARG 36 -29.855 15.539 -2.350 152 H LYS 37 H LYS 37 -22.116 10.617 -5.089 153 HA LYS 37 HA LYS 37 -19.918 9.671 -3.584 154 HB2 LYS 37 HB1 LYS 37 -20.156 10.553 -6.468 155 HB3 LYS 37 HB2 LYS 37 -18.695 9.820 -5.782 156 HG2 LYS 37 HG1 LYS 37 -19.846 7.766 -5.328 157 HG3 LYS 37 HG2 LYS 37 -21.395 8.489 -5.802 158 HD2 LYS 37 HD1 LYS 37 -21.033 8.100 -7.975 159 HD3 LYS 37 HD2 LYS 37 -19.386 8.753 -7.884 160 HE2 LYS 37 HE1 LYS 37 -19.031 6.528 -8.481 161 HE3 LYS 37 HE2 LYS 37 -18.796 6.525 -6.727 162 HZ1 LYS 37 HZ1 LYS 37 -20.975 5.381 -8.306 163 HZ2 LYS 37 HZ2 LYS 37 -21.353 5.981 -6.771 164 HZ3 LYS 37 HZ3 LYS 37 -20.192 4.763 -6.940 165 H GLY 38 H GLY 38 -17.629 10.694 -4.330 166 HA2 GLY 38 HA2 GLY 38 -17.438 13.504 -4.509 167 HA3 GLY 38 HA3 GLY 38 -17.324 13.028 -2.821 168 HA1 GLY 38 HA1 GLY 38 -17.190 12.767 -4.927 169 H SER 39 H SER 39 -15.507 11.940 -2.088 170 HA SER 39 HA SER 39 -13.179 12.197 -3.826 171 HB2 SER 39 HB1 SER 39 -13.093 11.346 -0.935 172 HB3 SER 39 HB2 SER 39 -11.859 12.194 -1.883 173 HG SER 39 HG SER 39 -13.038 13.552 -0.395 174 H GLN 40 H GLN 40 -11.532 10.475 -3.810 175 HA GLN 40 HA GLN 40 -12.814 7.886 -4.167 176 HB2 GLN 40 HB1 GLN 40 -10.329 9.194 -5.115 177 HB3 GLN 40 HB2 GLN 40 -10.242 7.443 -4.863 178 HG2 GLN 40 HG1 GLN 40 -12.502 8.608 -6.441 179 HG3 GLN 40 HG2 GLN 40 -10.911 8.390 -7.184 180 HE21 GLN 40 HE21 GLN 40 -11.917 6.898 -8.620 181 HE22 GLN 40 HE22 GLN 40 -12.227 5.274 -8.119 182 H CYS 41 H CYS 41 -9.881 9.120 -2.552 183 HA CYS 41 HA CYS 41 -10.328 7.214 -0.382 184 HB2 CYS 41 HB1 CYS 41 -7.845 6.661 -0.431 185 HB3 CYS 41 HB2 CYS 41 -8.835 5.937 -1.699 186 H LEU 42 H LEU 42 -9.020 7.689 1.531 187 HA LEU 42 HA LEU 42 -8.329 10.549 1.677 188 HB2 LEU 42 HB1 LEU 42 -10.071 8.912 3.269 189 HB3 LEU 42 HB2 LEU 42 -8.748 9.536 4.272 190 HG LEU 42 HG LEU 42 -9.601 11.767 2.884 191 HD11 LEU 42 HD11 LEU 42 -11.598 10.089 2.364 192 HD12 LEU 42 HD12 LEU 42 -11.857 11.809 2.654 193 HD13 LEU 42 HD13 LEU 42 -12.125 10.646 3.952 194 HD21 LEU 42 HD21 LEU 42 -10.112 10.695 5.636 195 HD22 LEU 42 HD22 LEU 42 -10.756 12.257 5.131 196 HD23 LEU 42 HD23 LEU 42 -9.015 11.977 5.126 197 H SER 43 H SER 43 -7.284 7.307 2.247 198 HA SER 43 HA SER 43 -4.659 8.327 3.063 199 HB2 SER 43 HB1 SER 43 -6.052 7.503 5.054 200 HB3 SER 43 HB2 SER 43 -5.854 5.882 4.364 201 HG SER 43 HG SER 43 -3.848 5.849 5.005 202 H ASP 44 H ASP 44 -3.064 6.342 3.095 203 HA ASP 44 HA ASP 44 -3.112 5.273 0.429 204 HB2 ASP 44 HB1 ASP 44 -0.913 4.380 0.937 205 HB3 ASP 44 HB2 ASP 44 -1.021 6.051 1.505 206 HD2 ASP 44 HD ASP 44 -1.153 4.897 4.885 207 H THR 45 H THR 45 -3.946 4.152 3.590 208 HA THR 45 HA THR 45 -3.799 1.354 3.005 209 HB THR 45 HB THR 45 -5.670 2.020 5.124 210 HG1 THR 45 HG1 THR 45 -4.596 3.560 6.091 211 HG21 THR 45 HG21 THR 45 -4.705 -0.098 5.220 212 HG22 THR 45 HG22 THR 45 -3.795 0.804 6.432 213 HG23 THR 45 HG23 THR 45 -3.095 0.512 4.840 214 H ASP 46 H ASP 46 -6.100 3.842 2.428 215 HA ASP 46 HA ASP 46 -8.445 2.253 2.303 216 HB2 ASP 46 HB1 ASP 46 -7.737 4.917 1.047 217 HB3 ASP 46 HB2 ASP 46 -9.341 4.182 0.943 218 HD2 ASP 46 HD ASP 46 -9.585 6.278 3.790 219 H CYS 47 H CYS 47 -5.810 2.787 0.129 220 HA CYS 47 HA CYS 47 -7.262 1.691 -2.147 221 HB2 CYS 47 HB1 CYS 47 -5.363 3.606 -2.024 222 HB3 CYS 47 HB2 CYS 47 -4.346 2.196 -2.335 223 H ASN 48 H ASN 48 -5.214 0.650 0.378 224 HA ASN 48 HA ASN 48 -4.340 -1.376 0.931 225 HB2 ASN 48 HB1 ASN 48 -5.910 -2.524 -1.386 226 HB3 ASN 48 HB2 ASN 48 -5.379 -3.354 0.083 227 HD21 ASN 48 HD21 ASN 48 -8.064 -2.746 -1.209 228 HD22 ASN 48 HD22 ASN 48 -9.018 -2.136 0.096 229 H THR 49 H THR 49 -3.217 -3.410 -0.200 230 HA THR 49 HA THR 49 -1.323 -4.075 -1.281 231 HB THR 49 HB THR 49 -1.707 -2.581 -3.742 232 HG1 THR 49 HG1 THR 49 -3.888 -4.244 -3.039 233 HG21 THR 49 HG21 THR 49 -1.482 -5.401 -2.835 234 HG22 THR 49 HG22 THR 49 -0.581 -4.539 -4.082 235 HG23 THR 49 HG23 THR 49 -2.220 -5.105 -4.409 236 H ARG 50 H ARG 50 0.388 -2.993 -3.068 237 HA ARG 50 HA ARG 50 1.731 -1.011 -1.483 238 HB2 ARG 50 HB1 ARG 50 3.461 -1.125 -3.289 239 HB3 ARG 50 HB2 ARG 50 3.081 -2.682 -2.540 240 HG2 ARG 50 HG1 ARG 50 1.790 -3.379 -4.420 241 HG3 ARG 50 HG2 ARG 50 1.868 -1.757 -5.130 242 HD2 ARG 50 HD1 ARG 50 3.425 -3.300 -6.238 243 HD3 ARG 50 HD2 ARG 50 4.270 -1.973 -5.431 244 HE ARG 50 HE ARG 50 4.111 -4.161 -3.675 245 HH11 ARG 50 HH11 ARG 50 5.698 -3.176 -6.612 246 HH12 ARG 50 HH12 ARG 50 7.092 -4.170 -6.347 247 HH21 ARG 50 HH21 ARG 50 5.941 -5.474 -3.313 248 HH22 ARG 50 HH22 ARG 50 7.229 -5.478 -4.471 249 H LYS 51 H LYS 51 -0.396 0.334 -1.925 250 HA LYS 51 HA LYS 51 0.334 2.288 -3.984 251 HB2 LYS 51 HB1 LYS 51 -1.815 0.529 -4.259 252 HB3 LYS 51 HB2 LYS 51 -2.549 2.047 -3.717 253 HG2 LYS 51 HG1 LYS 51 -2.442 2.831 -5.782 254 HG3 LYS 51 HG2 LYS 51 -0.674 2.718 -5.712 255 HD2 LYS 51 HD1 LYS 51 -0.888 1.274 -7.420 256 HD3 LYS 51 HD2 LYS 51 -1.377 0.119 -6.168 257 HE2 LYS 51 HE1 LYS 51 -3.664 1.674 -6.857 258 HE3 LYS 51 HE2 LYS 51 -2.898 1.121 -8.354 259 HZ1 LYS 51 HZ1 LYS 51 -2.840 -1.096 -6.814 260 HZ2 LYS 51 HZ2 LYS 51 -4.016 -0.757 -7.982 261 HZ3 LYS 51 HZ3 LYS 51 -4.310 -0.393 -6.356 262 H PHE 52 H PHE 52 -0.841 4.381 -3.673 263 HA PHE 52 HA PHE 52 -1.689 4.848 -0.910 264 HB2 PHE 52 HB1 PHE 52 -0.121 6.461 -0.427 265 HB3 PHE 52 HB2 PHE 52 0.843 5.368 -1.422 266 HD1 PHE 52 HD1 PHE 52 0.528 8.634 -0.831 267 HD2 PHE 52 HD2 PHE 52 0.196 5.957 -4.123 268 HE1 PHE 52 HE1 PHE 52 1.055 10.474 -2.377 269 HE2 PHE 52 HE2 PHE 52 0.724 7.793 -5.674 270 HZ PHE 52 HZ PHE 52 1.155 10.055 -4.802 271 H CYS 53 H CYS 53 -2.259 7.374 -0.786 272 HA CYS 53 HA CYS 53 -4.035 7.880 -3.080 273 HB2 CYS 53 HB1 CYS 53 -4.945 7.454 -0.676 274 HB3 CYS 53 HB2 CYS 53 -4.418 9.109 -0.367 275 H LEU 54 H LEU 54 -3.416 9.479 -4.360 276 HA LEU 54 HA LEU 54 -1.585 11.516 -3.354 277 HB2 LEU 54 HB1 LEU 54 -0.959 10.442 -5.419 278 HB3 LEU 54 HB2 LEU 54 -2.530 10.841 -6.133 279 HG LEU 54 HG LEU 54 -1.670 13.320 -5.596 280 HD11 LEU 54 HD11 LEU 54 0.446 12.522 -4.637 281 HD12 LEU 54 HD12 LEU 54 0.696 13.519 -6.069 282 HD13 LEU 54 HD13 LEU 54 0.846 11.766 -6.180 283 HD21 LEU 54 HD21 LEU 54 -2.438 12.434 -7.760 284 HD22 LEU 54 HD22 LEU 54 -0.847 11.717 -8.015 285 HD23 LEU 54 HD23 LEU 54 -1.020 13.470 -7.925 286 H GLN 55 H GLN 55 -2.234 13.488 -2.806 287 HA GLN 55 HA GLN 55 -4.896 14.379 -3.698 288 HB2 GLN 55 HB1 GLN 55 -3.401 15.265 -1.222 289 HB3 GLN 55 HB2 GLN 55 -5.070 15.662 -1.660 290 HG2 GLN 55 HG1 GLN 55 -5.476 14.006 -0.163 291 HG3 GLN 55 HG2 GLN 55 -5.337 13.040 -1.638 292 HE21 GLN 55 HE21 GLN 55 -4.958 11.496 0.286 293 HE22 GLN 55 HE22 GLN 55 -3.302 11.215 0.689 294 HA PRO 56 HA PRO 56 -2.001 17.263 -5.768 295 HB2 PRO 56 HB1 PRO 56 -3.631 17.684 -7.929 296 HB3 PRO 56 HB2 PRO 56 -2.533 16.311 -7.791 297 HG2 PRO 56 HG1 PRO 56 -5.469 16.467 -7.195 298 HG3 PRO 56 HG2 PRO 56 -4.553 15.203 -8.100 299 HD2 PRO 56 HD1 PRO 56 -5.345 14.877 -5.524 300 HD3 PRO 56 HD2 PRO 56 -3.839 14.191 -6.155 301 H ARG 57 H ARG 57 -2.068 19.490 -5.886 302 HA ARG 57 HA ARG 57 -4.214 20.765 -4.431 303 HB2 ARG 57 HB1 ARG 57 -1.458 21.271 -4.890 304 HB3 ARG 57 HB2 ARG 57 -2.363 22.658 -5.512 305 HG2 ARG 57 HG1 ARG 57 -3.565 22.742 -3.294 306 HG3 ARG 57 HG2 ARG 57 -2.379 21.559 -2.717 307 HD2 ARG 57 HD1 ARG 57 -1.607 23.739 -2.082 308 HD3 ARG 57 HD2 ARG 57 -0.570 23.140 -3.385 309 HE ARG 57 HE ARG 57 -2.554 24.611 -4.613 310 HH11 ARG 57 HH11 ARG 57 -0.043 25.179 -2.271 311 HH12 ARG 57 HH12 ARG 57 0.178 26.839 -2.718 312 HH21 ARG 57 HH21 ARG 57 -2.273 26.794 -5.210 313 HH22 ARG 57 HH22 ARG 57 -1.092 27.756 -4.389 314 H ASP 58 H ASP 58 -3.184 20.416 -7.721 315 HA ASP 58 HA ASP 58 -4.910 22.566 -8.657 316 HB2 ASP 58 HB1 ASP 58 -2.537 21.533 -9.595 317 HB3 ASP 58 HB2 ASP 58 -3.725 20.800 -10.679 318 HD2 ASP 58 HD ASP 58 -4.729 24.081 -11.741 319 H GLU 59 H GLU 59 -4.957 19.145 -8.237 320 HA GLU 59 HA GLU 59 -7.548 19.029 -9.637 321 HB2 GLU 59 HB1 GLU 59 -5.202 17.537 -10.165 322 HB3 GLU 59 HB2 GLU 59 -6.362 16.427 -9.418 323 HG2 GLU 59 HG1 GLU 59 -7.894 16.637 -11.131 324 HG3 GLU 59 HG2 GLU 59 -7.244 18.200 -11.646 325 HE2 GLU 59 HE GLU 59 -4.432 16.133 -12.955 326 H LYS 60 H LYS 60 -8.620 16.769 -8.870 327 HA LYS 60 HA LYS 60 -9.068 17.152 -6.033 328 HB2 LYS 60 HB1 LYS 60 -10.482 15.875 -8.282 329 HB3 LYS 60 HB2 LYS 60 -10.648 15.039 -6.730 330 HG2 LYS 60 HG1 LYS 60 -11.264 17.354 -5.777 331 HG3 LYS 60 HG2 LYS 60 -11.515 17.805 -7.473 332 HD2 LYS 60 HD1 LYS 60 -13.414 16.601 -7.656 333 HD3 LYS 60 HD2 LYS 60 -12.766 15.266 -6.687 334 HE2 LYS 60 HE1 LYS 60 -13.460 17.862 -5.354 335 HE3 LYS 60 HE2 LYS 60 -14.740 16.714 -5.775 336 HZ1 LYS 60 HZ1 LYS 60 -14.187 15.399 -4.089 337 HZ2 LYS 60 HZ2 LYS 60 -13.209 16.656 -3.518 338 HZ3 LYS 60 HZ3 LYS 60 -12.540 15.433 -4.476 339 HA PRO 61 HA PRO 61 -6.746 13.764 -4.491 340 HB2 PRO 61 HB1 PRO 61 -8.391 12.748 -2.552 341 HB3 PRO 61 HB2 PRO 61 -7.543 14.287 -2.401 342 HG2 PRO 61 HG1 PRO 61 -10.372 13.748 -3.244 343 HG3 PRO 61 HG2 PRO 61 -9.740 14.986 -2.096 344 HD2 PRO 61 HD1 PRO 61 -10.436 15.577 -4.653 345 HD3 PRO 61 HD2 PRO 61 -9.110 16.395 -3.809 346 H PHE 62 H PHE 62 -6.353 11.677 -4.991 347 HA PHE 62 HA PHE 62 -8.365 9.701 -5.298 348 HB2 PHE 62 HB1 PHE 62 -8.353 9.344 -7.652 349 HB3 PHE 62 HB2 PHE 62 -8.668 11.062 -7.403 350 HD1 PHE 62 HD1 PHE 62 -6.855 8.822 -9.315 351 HD2 PHE 62 HD2 PHE 62 -6.423 12.534 -7.278 352 HE1 PHE 62 HE1 PHE 62 -4.960 9.397 -10.774 353 HE2 PHE 62 HE2 PHE 62 -4.528 13.116 -8.735 354 HZ PHE 62 HZ PHE 62 -3.794 11.548 -10.486 355 H CYS 63 H CYS 63 -7.491 7.608 -5.844 356 HA CYS 63 HA CYS 63 -4.886 7.211 -4.774 357 HB2 CYS 63 HB1 CYS 63 -6.784 5.598 -4.560 358 HB3 CYS 63 HB2 CYS 63 -6.605 5.228 -6.275 359 H ALA 64 H ALA 64 -2.967 6.981 -5.754 360 HA ALA 64 HA ALA 64 -2.842 6.472 -8.623 361 HB1 ALA 64 HB1 ALA 64 -2.813 8.772 -8.828 362 HB2 ALA 64 HB2 ALA 64 -1.942 9.001 -7.310 363 HB3 ALA 64 HB3 ALA 64 -1.093 8.393 -8.730 364 H THR 65 H THR 65 -0.711 5.868 -9.358 365 HA THR 65 HA THR 65 0.582 4.024 -7.767 366 HB THR 65 HB THR 65 2.608 4.802 -9.439 367 HG1 THR 65 HG1 THR 65 0.268 5.209 -10.970 368 HG21 THR 65 HG21 THR 65 0.233 3.045 -10.067 369 HG22 THR 65 HG22 THR 65 1.730 2.550 -9.276 370 HG23 THR 65 HG23 THR 65 1.749 3.052 -10.967 371 H CYS 66 H CYS 66 2.310 4.027 -6.399 372 HA CYS 66 HA CYS 66 2.911 6.417 -5.008 373 HB2 CYS 66 HB1 CYS 66 4.519 5.074 -3.753 374 HB3 CYS 66 HB2 CYS 66 2.989 4.213 -3.932 375 H ARG 67 H ARG 67 5.115 7.280 -4.677 376 HA ARG 67 HA ARG 67 6.236 8.258 -7.001 377 HB2 ARG 67 HB1 ARG 67 7.393 7.900 -4.238 378 HB3 ARG 67 HB2 ARG 67 8.283 8.707 -5.537 379 HG2 ARG 67 HG1 ARG 67 5.548 9.583 -4.619 380 HG3 ARG 67 HG2 ARG 67 7.063 10.227 -3.961 381 HD2 ARG 67 HD1 ARG 67 7.647 11.281 -5.948 382 HD3 ARG 67 HD2 ARG 67 6.615 10.219 -6.915 383 HE ARG 67 HE ARG 67 4.835 11.564 -5.394 384 HH11 ARG 67 HH11 ARG 67 7.471 12.571 -7.432 385 HH12 ARG 67 HH12 ARG 67 6.736 14.080 -7.860 386 HH21 ARG 67 HH21 ARG 67 3.856 13.549 -5.950 387 HH22 ARG 67 HH22 ARG 67 4.680 14.636 -7.015 388 H GLY 68 H GLY 68 7.232 7.236 -8.602 389 HA2 GLY 68 HA2 GLY 68 8.119 4.598 -8.553 390 HA3 GLY 68 HA3 GLY 68 8.610 5.797 -9.740 391 HA1 GLY 68 HA1 GLY 68 8.291 5.010 -7.791 392 H LEU 69 H LEU 69 10.516 4.137 -9.358 393 HA LEU 69 HA LEU 69 12.164 4.577 -7.079 394 HB2 LEU 69 HB1 LEU 69 12.405 3.150 -9.675 395 HB3 LEU 69 HB2 LEU 69 13.905 3.580 -8.835 396 HG LEU 69 HG LEU 69 11.681 1.885 -7.700 397 HD11 LEU 69 HD11 LEU 69 14.221 0.587 -7.940 398 HD12 LEU 69 HD12 LEU 69 13.722 1.219 -9.509 399 HD13 LEU 69 HD13 LEU 69 12.660 0.125 -8.622 400 HD21 LEU 69 HD21 LEU 69 12.732 3.034 -5.909 401 HD22 LEU 69 HD22 LEU 69 14.337 2.769 -6.590 402 HD23 LEU 69 HD23 LEU 69 13.418 1.409 -5.942 403 H ARG 70 H ARG 70 11.664 6.283 -10.006 404 HA ARG 70 HA ARG 70 14.199 7.727 -9.755 405 HB2 ARG 70 HB1 ARG 70 12.108 8.118 -11.897 406 HB3 ARG 70 HB2 ARG 70 13.823 8.559 -11.946 407 HG2 ARG 70 HG1 ARG 70 13.904 6.689 -13.231 408 HG3 ARG 70 HG2 ARG 70 14.132 5.950 -11.637 409 HD2 ARG 70 HD1 ARG 70 12.351 4.668 -12.034 410 HD3 ARG 70 HD2 ARG 70 11.363 6.135 -11.975 411 HE ARG 70 HE ARG 70 12.452 5.938 -14.538 412 HH11 ARG 70 HH11 ARG 70 10.198 4.251 -12.491 413 HH12 ARG 70 HH12 ARG 70 9.250 3.647 -13.809 414 HH21 ARG 70 HH21 ARG 70 11.212 5.150 -16.283 415 HH22 ARG 70 HH22 ARG 70 9.829 4.160 -15.967 416 H ARG 71 H ARG 71 11.062 7.941 -8.670 417 HA ARG 71 HA ARG 71 10.779 10.810 -8.844 418 HB2 ARG 71 HB1 ARG 71 9.121 8.535 -8.063 419 HB3 ARG 71 HB2 ARG 71 8.934 9.921 -6.981 420 HG2 ARG 71 HG1 ARG 71 7.288 9.925 -8.810 421 HG3 ARG 71 HG2 ARG 71 8.341 11.350 -8.829 422 HD2 ARG 71 HD1 ARG 71 9.626 10.505 -10.644 423 HD3 ARG 71 HD2 ARG 71 8.894 8.901 -10.485 424 HE ARG 71 HE ARG 71 6.875 10.784 -11.018 425 HH11 ARG 71 HH11 ARG 71 9.578 9.226 -12.562 426 HH12 ARG 71 HH12 ARG 71 8.901 9.335 -14.152 427 HH21 ARG 71 HH21 ARG 71 5.972 10.934 -13.106 428 HH22 ARG 71 HH22 ARG 71 6.850 10.308 -14.461 429 H ARG 72 H ARG 72 11.053 12.289 -7.219 430 HA ARG 72 HA ARG 72 12.905 11.605 -5.153 431 HB2 ARG 72 HB1 ARG 72 12.604 13.999 -4.461 432 HB3 ARG 72 HB2 ARG 72 13.098 13.771 -6.145 433 HG2 ARG 72 HG1 ARG 72 10.191 13.896 -5.752 434 HG3 ARG 72 HG2 ARG 72 11.068 15.376 -5.322 435 HD2 ARG 72 HD1 ARG 72 12.268 14.745 -7.681 436 HD3 ARG 72 HD2 ARG 72 10.630 14.131 -7.952 437 HE ARG 72 HE ARG 72 9.862 16.290 -8.030 438 HH11 ARG 72 HH11 ARG 72 13.072 16.256 -6.681 439 HH12 ARG 72 HH12 ARG 72 13.242 17.981 -6.705 440 HH21 ARG 72 HH21 ARG 72 10.073 18.561 -8.066 441 HH22 ARG 72 HH22 ARG 72 11.535 19.290 -7.492 442 H CYS 73 H CYS 73 12.568 12.028 -2.862 443 HA CYS 73 HA CYS 73 9.850 12.117 -1.879 444 HB2 CYS 73 HB1 CYS 73 9.850 10.023 -0.746 445 HB3 CYS 73 HB2 CYS 73 10.289 9.697 -2.423 446 H GLN 74 H GLN 74 9.707 12.713 0.281 447 HA GLN 74 HA GLN 74 12.270 13.421 1.550 448 HB2 GLN 74 HB1 GLN 74 9.597 14.819 1.812 449 HB3 GLN 74 HB2 GLN 74 11.102 15.296 2.615 450 HG2 GLN 74 HG1 GLN 74 12.030 16.157 0.713 451 HG3 GLN 74 HG2 GLN 74 11.098 15.090 -0.346 452 HE21 GLN 74 HE21 GLN 74 8.909 15.594 -0.777 453 HE22 GLN 74 HE22 GLN 74 8.323 17.211 -0.615 454 H ARG 75 H ARG 75 9.184 11.892 1.913 455 HA ARG 75 HA ARG 75 9.909 11.154 4.672 456 HB2 ARG 75 HB1 ARG 75 7.189 11.767 3.506 457 HB3 ARG 75 HB2 ARG 75 7.411 10.929 5.050 458 HG2 ARG 75 HG1 ARG 75 8.349 12.808 6.087 459 HG3 ARG 75 HG2 ARG 75 8.651 13.607 4.535 460 HD2 ARG 75 HD1 ARG 75 6.041 13.458 4.279 461 HD3 ARG 75 HD2 ARG 75 6.092 13.301 6.041 462 HE ARG 75 HE ARG 75 7.629 15.471 5.601 463 HH11 ARG 75 HH11 ARG 75 4.442 14.567 4.530 464 HH12 ARG 75 HH12 ARG 75 3.869 16.199 4.437 465 HH21 ARG 75 HH21 ARG 75 6.886 17.624 5.484 466 HH22 ARG 75 HH22 ARG 75 5.259 17.938 4.978 467 H ASP 76 H ASP 76 9.917 9.032 5.153 468 HA ASP 76 HA ASP 76 9.987 7.092 3.161 469 HB2 ASP 76 HB1 ASP 76 11.080 6.566 5.178 470 HB3 ASP 76 HB2 ASP 76 9.645 6.926 6.145 471 HD2 ASP 76 HD ASP 76 9.561 3.465 4.190 472 H ALA 77 H ALA 77 7.302 8.429 4.880 473 HA ALA 77 HA ALA 77 5.467 6.299 4.347 474 HB1 ALA 77 HB1 ALA 77 4.667 9.129 4.936 475 HB2 ALA 77 HB2 ALA 77 3.833 7.632 5.352 476 HB3 ALA 77 HB3 ALA 77 5.321 8.075 6.189 477 H MET 78 H MET 78 6.284 9.358 2.791 478 HA MET 78 HA MET 78 4.212 9.542 0.959 479 HB2 MET 78 HB1 MET 78 6.981 10.553 1.144 480 HB3 MET 78 HB2 MET 78 6.304 10.497 -0.490 481 HG2 MET 78 HG1 MET 78 4.827 11.784 1.794 482 HG3 MET 78 HG2 MET 78 6.027 12.654 0.834 483 HE1 MET 78 HE1 MET 78 4.996 13.299 -2.323 484 HE2 MET 78 HE2 MET 78 6.118 12.124 -1.639 485 HE3 MET 78 HE3 MET 78 4.761 11.577 -2.626 486 H CYS 79 H CYS 79 6.937 7.395 1.022 487 HA CYS 79 HA CYS 79 6.375 6.475 -1.703 488 HB2 CYS 79 HB1 CYS 79 8.721 6.420 0.093 489 HB3 CYS 79 HB2 CYS 79 8.484 4.964 -0.876 490 H CYS 80 H CYS 80 5.465 4.550 -2.132 491 HA CYS 80 HA CYS 80 3.926 3.187 -0.304 492 HB2 CYS 80 HB1 CYS 80 4.032 1.258 -1.957 493 HB3 CYS 80 HB2 CYS 80 3.492 2.810 -2.600 494 HA PRO 81 HA PRO 81 6.534 0.608 2.104 495 HB2 PRO 81 HB1 PRO 81 4.975 -1.622 2.416 496 HB3 PRO 81 HB2 PRO 81 4.643 -0.084 3.210 497 HG2 PRO 81 HG1 PRO 81 3.471 -1.215 0.692 498 HG3 PRO 81 HG2 PRO 81 2.640 -0.410 2.075 499 HD2 PRO 81 HD1 PRO 81 3.175 0.868 -0.260 500 HD3 PRO 81 HD2 PRO 81 3.193 1.692 1.308 501 H GLY 82 H GLY 82 8.336 -0.331 1.379 502 HA2 GLY 82 HA2 GLY 82 8.938 -2.730 0.597 503 HA3 GLY 82 HA3 GLY 82 8.155 -2.199 -0.884 504 HA1 GLY 82 HA1 GLY 82 9.228 -1.969 0.936 505 H THR 83 H THR 83 9.327 0.581 -0.131 506 HA THR 83 HA THR 83 12.037 0.043 -1.159 507 HB THR 83 HB THR 83 11.653 2.536 -2.059 508 HG1 THR 83 HG1 THR 83 9.087 1.380 -2.418 509 HG21 THR 83 HG21 THR 83 12.209 1.316 -3.847 510 HG22 THR 83 HG22 THR 83 10.483 1.039 -4.082 511 HG23 THR 83 HG23 THR 83 11.450 -0.130 -3.182 512 H LEU 84 H LEU 84 13.459 2.095 -0.859 513 HA LEU 84 HA LEU 84 12.966 3.226 1.814 514 HB2 LEU 84 HB1 LEU 84 14.821 1.352 1.402 515 HB3 LEU 84 HB2 LEU 84 15.760 2.777 0.924 516 HG LEU 84 HG LEU 84 14.428 2.410 3.608 517 HD11 LEU 84 HD11 LEU 84 17.249 2.526 3.782 518 HD12 LEU 84 HD12 LEU 84 16.836 1.301 2.583 519 HD13 LEU 84 HD13 LEU 84 16.175 1.195 4.215 520 HD21 LEU 84 HD21 LEU 84 15.969 4.606 2.324 521 HD22 LEU 84 HD22 LEU 84 16.216 4.303 4.044 522 HD23 LEU 84 HD23 LEU 84 14.603 4.681 3.437 523 H CYS 85 H CYS 85 13.308 5.369 2.049 524 HA CYS 85 HA CYS 85 13.712 6.937 -0.325 525 HB2 CYS 85 HB1 CYS 85 12.922 7.439 2.491 526 HB3 CYS 85 HB2 CYS 85 13.698 8.780 1.647 527 H VAL 86 H VAL 86 15.781 6.793 -1.060 528 HA VAL 86 HA VAL 86 17.939 7.515 0.810 529 HB VAL 86 HB VAL 86 18.128 6.070 -1.837 530 HG11 VAL 86 HG11 VAL 86 20.505 5.654 -0.674 531 HG12 VAL 86 HG12 VAL 86 20.193 6.996 -1.776 532 HG13 VAL 86 HG13 VAL 86 20.145 7.257 -0.032 533 HG21 VAL 86 HG21 VAL 86 17.146 4.668 -0.126 534 HG22 VAL 86 HG22 VAL 86 18.797 4.138 -0.454 535 HG23 VAL 86 HG23 VAL 86 18.444 5.080 0.995 536 H ASN 87 H ASN 87 19.162 9.284 0.453 537 HA ASN 87 HA ASN 87 19.716 11.344 -0.348 538 HB2 ASN 87 HB1 ASN 87 19.629 9.635 -2.825 539 HB3 ASN 87 HB2 ASN 87 20.018 11.357 -2.930 540 HD21 ASN 87 HD21 ASN 87 22.066 10.594 -3.765 541 HD22 ASN 87 HD22 ASN 87 23.313 10.139 -2.660 542 H ASP 88 H ASP 88 16.957 10.967 0.177 543 HA ASP 88 HA ASP 88 14.973 12.048 -0.089 544 HB2 ASP 88 HB1 ASP 88 16.847 13.945 -0.571 545 HB3 ASP 88 HB2 ASP 88 15.986 13.953 -2.116 546 HD2 ASP 88 HD ASP 88 13.775 14.905 1.049 547 H VAL 89 H VAL 89 15.685 9.839 -1.819 548 HA VAL 89 HA VAL 89 13.684 10.290 -3.888 549 HB VAL 89 HB VAL 89 16.446 9.249 -4.536 550 HG11 VAL 89 HG11 VAL 89 14.034 9.608 -6.314 551 HG12 VAL 89 HG12 VAL 89 15.642 9.104 -6.839 552 HG13 VAL 89 HG13 VAL 89 14.697 8.068 -5.768 553 HG21 VAL 89 HG21 VAL 89 16.643 11.223 -5.951 554 HG22 VAL 89 HG22 VAL 89 15.043 11.764 -5.442 555 HG23 VAL 89 HG23 VAL 89 16.361 11.685 -4.272 556 H CYS 90 H CYS 90 12.590 8.449 -4.511 557 HA CYS 90 HA CYS 90 12.549 6.300 -2.675 558 HB2 CYS 90 HB1 CYS 90 10.858 7.283 -4.638 559 HB3 CYS 90 HB2 CYS 90 11.353 5.714 -5.278 560 H THR 91 H THR 91 14.227 4.950 -2.505 561 HA THR 91 HA THR 91 15.239 3.701 -4.975 562 HB THR 91 HB THR 91 16.857 4.330 -2.498 563 HG1 THR 91 HG1 THR 91 16.213 6.032 -4.208 564 HG21 THR 91 HG21 THR 91 17.516 2.249 -3.693 565 HG22 THR 91 HG22 THR 91 18.759 3.501 -3.728 566 HG23 THR 91 HG23 THR 91 17.760 3.208 -5.151 567 H THR 92 H THR 92 15.280 1.530 -5.021 568 HA THR 92 HA THR 92 13.828 -0.029 -3.270 569 HB THR 92 HB THR 92 15.747 -1.784 -4.278 570 HG1 THR 92 HG1 THR 92 15.871 -1.047 -6.497 571 HG21 THR 92 HG21 THR 92 13.274 -0.950 -5.774 572 HG22 THR 92 HG22 THR 92 13.192 -1.862 -4.266 573 HG23 THR 92 HG23 THR 92 14.009 -2.550 -5.671 574 H MET 93 H MET 93 14.460 -1.651 -1.733 575 HA MET 93 HA MET 93 16.363 -0.704 0.154 576 HB2 MET 93 HB1 MET 93 14.349 -2.807 -0.006 577 HB3 MET 93 HB2 MET 93 15.800 -3.326 0.864 578 HG2 MET 93 HG1 MET 93 15.443 -1.927 2.611 579 HG3 MET 93 HG2 MET 93 14.722 -0.680 1.591 580 HE1 MET 93 HE1 MET 93 12.554 -0.569 3.901 581 HE2 MET 93 HE2 MET 93 12.875 0.108 2.305 582 HE3 MET 93 HE3 MET 93 11.337 -0.691 2.631 583 H GLU 94 H GLU 94 16.349 -3.327 -2.210 584 HA GLU 94 HA GLU 94 18.818 -4.470 -1.392 585 HB2 GLU 94 HB1 GLU 94 17.455 -4.616 -4.093 586 HB3 GLU 94 HB2 GLU 94 18.729 -5.696 -3.503 587 HG2 GLU 94 HG1 GLU 94 16.105 -5.414 -2.067 588 HG3 GLU 94 HG2 GLU 94 16.325 -6.536 -3.418 589 HE2 GLU 94 HE GLU 94 17.717 -7.539 0.096 590 H ASP 95 H ASP 95 17.958 -1.800 -3.429 591 HA ASP 95 HA ASP 95 20.476 -1.634 -4.791 592 HB2 ASP 95 HB1 ASP 95 17.917 -0.298 -4.885 593 HB3 ASP 95 HB2 ASP 95 19.230 0.890 -4.862 594 HD2 ASP 95 HD ASP 95 18.500 -0.737 -8.227 595 H ALA 96 H ALA 96 19.051 -0.192 -1.921 596 HA ALA 96 HA ALA 96 20.886 1.847 -1.445 597 HB1 ALA 96 HB1 ALA 96 20.089 1.892 0.783 598 HB2 ALA 96 HB2 ALA 96 18.723 1.411 -0.223 599 HB3 ALA 96 HB3 ALA 96 19.596 0.199 0.715 600 H THR 97 H THR 97 22.953 1.889 -0.840 601 HA THR 97 HA THR 97 24.197 -0.643 0.005 602 HB THR 97 HB THR 97 26.347 0.378 -0.764 603 HG1 THR 97 HG1 THR 97 26.193 2.250 -2.070 604 HG21 THR 97 HG21 THR 97 26.060 -0.306 -2.946 605 HG22 THR 97 HG22 THR 97 24.474 0.451 -3.088 606 HG23 THR 97 HG23 THR 97 24.656 -1.049 -2.180 607 H GLU 98 H GLU 98 23.928 -0.494 2.213 608 HA GLU 98 HA GLU 98 24.709 1.908 3.627 609 HB2 GLU 98 HB1 GLU 98 23.137 -0.436 4.185 610 HB3 GLU 98 HB2 GLU 98 24.357 -0.221 5.449 611 HG2 GLU 98 HG1 GLU 98 22.891 2.216 4.665 612 HG3 GLU 98 HG2 GLU 98 21.940 0.960 5.471 613 HE2 GLU 98 HE GLU 98 23.099 2.180 8.450 614 H ASN 99 H ASN 99 25.837 -1.458 3.417 615 HA ASN 99 HA ASN 99 27.863 -2.413 3.814 616 HB2 ASN 99 HB1 ASN 99 28.488 -0.385 2.295 617 HB3 ASN 99 HB2 ASN 99 29.155 0.298 3.782 618 HD21 ASN 99 HD21 ASN 99 30.439 -0.647 1.283 619 HD22 ASN 99 HD22 ASN 99 31.634 -1.786 1.793 620 H LEU 100 H LEU 100 27.713 -3.175 5.859 621 HA LEU 100 HA LEU 100 28.892 -1.518 7.966 622 HB2 LEU 100 HB1 LEU 100 26.314 -3.076 8.225 623 HB3 LEU 100 HB2 LEU 100 27.186 -2.313 9.566 624 HG LEU 100 HG LEU 100 26.206 -0.683 7.247 625 HD11 LEU 100 HD11 LEU 100 24.586 -2.091 9.184 626 HD12 LEU 100 HD12 LEU 100 24.099 -1.160 7.768 627 HD13 LEU 100 HD13 LEU 100 24.378 -0.344 9.306 628 HD21 LEU 100 HD21 LEU 100 27.813 0.290 8.849 629 HD22 LEU 100 HD22 LEU 100 26.668 -0.023 10.154 630 HD23 LEU 100 HD23 LEU 100 26.250 1.109 8.866 631 H TYR 101 H TYR 101 30.132 -2.619 9.426 632 HA TYR 101 HA TYR 101 30.318 -5.538 9.059 633 HB2 TYR 101 HB1 TYR 101 32.744 -5.330 9.577 634 HB3 TYR 101 HB2 TYR 101 32.276 -4.525 8.078 635 HD1 TYR 101 HD1 TYR 101 32.156 -2.061 7.954 636 HD2 TYR 101 HD2 TYR 101 33.592 -4.048 11.431 637 HE1 TYR 101 HE1 TYR 101 33.157 0.045 8.736 638 HE2 TYR 101 HE2 TYR 101 34.597 -1.948 12.223 639 HH TYR 101 HH TYR 101 33.928 0.752 11.627 640 H PHE 102 H PHE 102 30.270 -6.772 10.847 641 HA PHE 102 HA PHE 102 30.776 -5.590 13.459 642 HB2 PHE 102 HB1 PHE 102 28.106 -6.458 12.471 643 HB3 PHE 102 HB2 PHE 102 28.534 -6.914 14.123 644 HD1 PHE 102 HD1 PHE 102 27.741 -4.140 11.898 645 HD2 PHE 102 HD2 PHE 102 28.876 -5.240 15.850 646 HE1 PHE 102 HE1 PHE 102 27.117 -1.898 12.698 647 HE2 PHE 102 HE2 PHE 102 28.253 -3.001 16.656 648 HZ PHE 102 HZ PHE 102 27.371 -1.326 15.080 649 H GLN 103 H GLN 103 32.603 -7.019 13.303 650 HA GLN 103 HA GLN 103 31.947 -9.872 13.568 651 HB2 GLN 103 HB1 GLN 103 33.590 -9.055 11.790 652 HB3 GLN 103 HB2 GLN 103 34.696 -8.719 13.132 653 HG2 GLN 103 HG1 GLN 103 34.983 -10.953 13.651 654 HG3 GLN 103 HG2 GLN 103 33.478 -11.428 12.853 655 HE21 GLN 103 HE21 GLN 103 34.522 -13.025 11.664 656 HE22 GLN 103 HE22 GLN 103 35.543 -12.650 10.321 657 H SER 104 H SER 104 32.780 -11.094 15.273 658 HA SER 104 HA SER 104 33.862 -9.532 17.526 659 HB2 SER 104 HB1 SER 104 31.565 -10.065 18.044 660 HB3 SER 104 HB2 SER 104 31.816 -11.760 17.592 661 HG SER 104 HG SER 104 32.542 -10.419 19.908 662 H LEU 105 H LEU 105 35.125 -10.787 19.078 663 HA LEU 105 HA LEU 105 36.226 -13.294 18.050 664 HB2 LEU 105 HB1 LEU 105 38.536 -12.380 18.720 665 HB3 LEU 105 HB2 LEU 105 37.833 -11.878 17.173 666 HG LEU 105 HG LEU 105 37.208 -10.050 19.363 667 HD11 LEU 105 HD11 LEU 105 39.481 -9.077 19.436 668 HD12 LEU 105 HD12 LEU 105 40.081 -10.488 18.566 669 HD13 LEU 105 HD13 LEU 105 39.386 -10.675 20.174 670 HD21 LEU 105 HD21 LEU 105 37.988 -8.413 17.683 671 HD22 LEU 105 HD22 LEU 105 36.753 -9.507 17.057 672 HD23 LEU 105 HD23 LEU 105 38.447 -9.750 16.630 673 H GLU 106 H GLU 106 37.015 -14.680 19.616 674 HA GLU 106 HA GLU 106 37.228 -13.808 22.367 675 HB2 GLU 106 HB1 GLU 106 34.821 -15.044 21.353 676 HB3 GLU 106 HB2 GLU 106 35.581 -16.074 22.577 677 HG2 GLU 106 HG1 GLU 106 35.699 -13.989 24.039 678 HG3 GLU 106 HG2 GLU 106 34.585 -13.261 22.872 679 HE2 GLU 106 HE GLU 106 31.990 -15.437 23.874 680 H HIS 107 H HIS 107 37.725 -15.784 23.804 681 HA HIS 107 HA HIS 107 39.081 -17.925 22.361 682 HB2 HIS 107 HB1 HIS 107 40.460 -15.687 23.471 683 HB3 HIS 107 HB2 HIS 107 40.841 -17.105 24.453 684 HD1 HIS 107 HD1 HIS 107 41.020 -19.287 22.344 685 HD2 HIS 107 HD2 HIS 107 42.649 -15.496 21.859 686 HE1 HIS 107 HE1 HIS 107 42.833 -19.550 20.622 687 HE2 HIS 107 HE2 HIS 107 43.830 -17.234 20.324 688 H HIS 108 H HIS 108 40.295 -19.282 24.280 689 HA HIS 108 HA HIS 108 38.578 -19.481 26.619 690 HB2 HIS 108 HB1 HIS 108 37.924 -21.001 24.447 691 HB3 HIS 108 HB2 HIS 108 39.007 -22.091 25.318 692 HD1 HIS 108 HD1 HIS 108 35.824 -22.382 24.988 693 HD2 HIS 108 HD2 HIS 108 37.886 -21.127 28.370 694 HE1 HIS 108 HE1 HIS 108 34.286 -22.844 26.923 695 HE2 HIS 108 HE2 HIS 108 35.546 -22.077 28.991 696 H HIS 109 H HIS 109 39.704 -20.046 28.378 697 HA HIS 109 HA HIS 109 41.934 -21.814 28.331 698 HB2 HIS 109 HB1 HIS 109 42.689 -19.403 27.464 699 HB3 HIS 109 HB2 HIS 109 42.786 -19.096 29.201 700 HD1 HIS 109 HD1 HIS 109 44.147 -21.598 26.685 701 HD2 HIS 109 HD2 HIS 109 45.104 -19.904 30.356 702 HE1 HIS 109 HE1 HIS 109 46.448 -22.449 27.239 703 HE2 HIS 109 HE2 HIS 109 47.033 -21.415 29.483 704 H HIS 110 H HIS 110 42.609 -22.417 30.400 705 HA HIS 110 HA HIS 110 41.841 -21.045 32.761 706 HB2 HIS 110 HB1 HIS 110 39.659 -22.116 31.812 707 HB3 HIS 110 HB2 HIS 110 40.345 -23.625 32.423 708 HD1 HIS 110 HD1 HIS 110 40.753 -20.396 34.295 709 HD2 HIS 110 HD2 HIS 110 38.520 -23.894 34.499 710 HE1 HIS 110 HE1 HIS 110 39.630 -20.348 36.544 711 HE2 HIS 110 HE2 HIS 110 38.264 -22.485 36.669 712 H HIS 111 H HIS 111 42.946 -21.794 34.510 713 HA HIS 111 HA HIS 111 44.576 -24.210 34.081 714 HB2 HIS 111 HB1 HIS 111 45.273 -21.544 34.876 715 HB3 HIS 111 HB2 HIS 111 45.649 -22.654 36.198 716 HD1 HIS 111 HD1 HIS 111 46.410 -22.233 32.508 717 HD2 HIS 111 HD2 HIS 111 47.955 -24.072 35.897 718 HE1 HIS 111 HE1 HIS 111 48.647 -23.148 31.815 719 HE2 HIS 111 HE2 HIS 111 49.593 -24.272 33.886 720 H HIS 112 H HIS 112 43.910 -25.897 35.220 721 HA HIS 112 HA HIS 112 42.024 -25.844 37.268 722 HB2 HIS 112 HB1 HIS 112 42.858 -28.171 37.792 723 HB3 HIS 112 HB2 HIS 112 42.376 -27.895 36.116 724 HD1 HIS 112 HD1 HIS 112 45.694 -26.583 37.109 725 HD2 HIS 112 HD2 HIS 112 44.125 -29.998 35.340 726 HE1 HIS 112 HE1 HIS 112 47.663 -27.786 36.110 727 HE2 HIS 112 HE2 HIS 112 46.705 -29.875 35.028 Start of MODEL 55 1 H1 MET 18 H MET 18 -66.266 34.196 -22.966 2 HA MET 18 HA MET 18 -66.299 33.719 -20.644 3 HB2 MET 18 HB1 MET 18 -67.197 31.385 -21.281 4 HB3 MET 18 HB2 MET 18 -65.498 30.889 -21.267 5 HG2 MET 18 HG1 MET 18 -65.655 32.152 -18.877 6 HG3 MET 18 HG2 MET 18 -67.298 31.525 -19.037 7 HE1 MET 18 HE1 MET 18 -64.020 31.247 -18.065 8 HE2 MET 18 HE2 MET 18 -64.283 29.909 -16.946 9 HE3 MET 18 HE3 MET 18 -63.368 29.649 -18.432 10 H LEU 19 H LEU 19 -64.424 35.111 -21.598 11 HA LEU 19 HA LEU 19 -61.844 33.760 -21.329 12 HB2 LEU 19 HB1 LEU 19 -60.925 35.960 -22.112 13 HB3 LEU 19 HB2 LEU 19 -61.972 35.113 -23.263 14 HG LEU 19 HG LEU 19 -63.402 37.050 -21.604 15 HD11 LEU 19 HD11 LEU 19 -62.403 38.878 -23.240 16 HD12 LEU 19 HD12 LEU 19 -60.974 37.853 -23.108 17 HD13 LEU 19 HD13 LEU 19 -61.695 38.552 -21.658 18 HD21 LEU 19 HD21 LEU 19 -63.196 36.309 -24.500 19 HD22 LEU 19 HD22 LEU 19 -64.053 37.766 -23.995 20 HD23 LEU 19 HD23 LEU 19 -64.579 36.185 -23.413 21 H VAL 20 H VAL 20 -62.380 33.518 -18.975 22 HA VAL 20 HA VAL 20 -61.761 35.975 -17.474 23 HB VAL 20 HB VAL 20 -63.061 33.444 -16.456 24 HG11 VAL 20 HG11 VAL 20 -62.156 34.280 -14.544 25 HG12 VAL 20 HG12 VAL 20 -62.105 35.933 -15.157 26 HG13 VAL 20 HG13 VAL 20 -63.628 35.248 -14.589 27 HG21 VAL 20 HG21 VAL 20 -64.160 35.596 -17.930 28 HG22 VAL 20 HG22 VAL 20 -65.003 34.244 -17.174 29 HG23 VAL 20 HG23 VAL 20 -64.739 35.736 -16.271 30 H LEU 21 H LEU 21 -59.657 36.086 -17.033 31 HA LEU 21 HA LEU 21 -57.955 33.809 -16.876 32 HB2 LEU 21 HB1 LEU 21 -57.596 36.730 -16.246 33 HB3 LEU 21 HB2 LEU 21 -56.314 35.542 -15.954 34 HG LEU 21 HG LEU 21 -57.521 35.737 -18.679 35 HD11 LEU 21 HD11 LEU 21 -57.021 37.931 -18.715 36 HD12 LEU 21 HD12 LEU 21 -55.370 37.347 -18.918 37 HD13 LEU 21 HD13 LEU 21 -55.947 37.819 -17.321 38 HD21 LEU 21 HD21 LEU 21 -55.887 34.312 -19.137 39 HD22 LEU 21 HD22 LEU 21 -55.396 34.335 -17.444 40 HD23 LEU 21 HD23 LEU 21 -54.687 35.480 -18.584 41 H ASP 22 H ASP 22 -56.776 33.059 -15.048 42 HA ASP 22 HA ASP 22 -57.158 33.913 -12.413 43 HB2 ASP 22 HB1 ASP 22 -59.417 32.574 -13.398 44 HB3 ASP 22 HB2 ASP 22 -58.573 31.386 -12.395 45 HD2 ASP 22 HD ASP 22 -60.075 32.839 -9.689 46 H PHE 23 H PHE 23 -55.592 33.047 -11.197 47 HA PHE 23 HA PHE 23 -54.597 30.372 -11.765 48 HB2 PHE 23 HB1 PHE 23 -53.208 32.823 -12.526 49 HB3 PHE 23 HB2 PHE 23 -52.236 31.807 -11.459 50 HD1 PHE 23 HD1 PHE 23 -52.772 32.499 -14.756 51 HD2 PHE 23 HD2 PHE 23 -52.525 29.158 -12.129 52 HE1 PHE 23 HE1 PHE 23 -52.166 31.055 -16.654 53 HE2 PHE 23 HE2 PHE 23 -51.918 27.710 -14.022 54 HZ PHE 23 HZ PHE 23 -51.737 28.657 -16.289 55 H ASN 24 H ASN 24 -53.491 33.235 -9.947 56 HA ASN 24 HA ASN 24 -52.929 33.519 -7.760 57 HB2 ASN 24 HB1 ASN 24 -55.244 31.597 -7.563 58 HB3 ASN 24 HB2 ASN 24 -54.417 32.193 -6.118 59 HD21 ASN 24 HD21 ASN 24 -56.975 32.712 -8.080 60 HD22 ASN 24 HD22 ASN 24 -57.254 34.388 -7.768 61 H ASN 25 H ASN 25 -50.834 32.607 -8.111 62 HA ASN 25 HA ASN 25 -50.470 30.069 -6.679 63 HB2 ASN 25 HB1 ASN 25 -50.307 29.931 -9.272 64 HB3 ASN 25 HB2 ASN 25 -48.752 30.743 -9.051 65 HD21 ASN 25 HD21 ASN 25 -48.779 28.299 -10.180 66 HD22 ASN 25 HD22 ASN 25 -48.124 27.123 -9.096 67 H ILE 26 H ILE 26 -48.987 30.172 -5.119 68 HA ILE 26 HA ILE 26 -46.958 32.301 -5.238 69 HB ILE 26 HB ILE 26 -47.184 32.660 -2.824 70 HG12 ILE 26 HG11 ILE 26 -49.581 31.751 -2.004 71 HG13 ILE 26 HG12 ILE 26 -49.139 30.445 -3.117 72 HG21 ILE 26 HG21 ILE 26 -49.244 33.929 -2.875 73 HG22 ILE 26 HG22 ILE 26 -48.416 34.071 -4.425 74 HG23 ILE 26 HG23 ILE 26 -49.811 33.002 -4.264 75 HD11 ILE 26 HD11 ILE 26 -46.939 31.147 -1.378 76 HD12 ILE 26 HD12 ILE 26 -48.378 30.668 -0.476 77 HD13 ILE 26 HD13 ILE 26 -47.691 29.581 -1.681 78 H ARG 27 H ARG 27 -44.943 31.778 -4.497 79 HA ARG 27 HA ARG 27 -44.477 29.329 -3.038 80 HB2 ARG 27 HB1 ARG 27 -44.654 28.789 -5.564 81 HB3 ARG 27 HB2 ARG 27 -43.080 29.589 -5.685 82 HG2 ARG 27 HG1 ARG 27 -41.974 27.938 -4.544 83 HG3 ARG 27 HG2 ARG 27 -43.425 27.445 -3.654 84 HD2 ARG 27 HD1 ARG 27 -43.675 25.769 -5.103 85 HD3 ARG 27 HD2 ARG 27 -44.026 26.983 -6.341 86 HE ARG 27 HE ARG 27 -41.221 26.609 -5.986 87 HH11 ARG 27 HH11 ARG 27 -44.063 25.271 -7.486 88 HH12 ARG 27 HH12 ARG 27 -43.182 24.481 -8.752 89 HH21 ARG 27 HH21 ARG 27 -40.050 25.574 -7.647 90 HH22 ARG 27 HH22 ARG 27 -40.900 24.654 -8.842 91 H SER 28 H SER 28 -42.600 29.385 -1.891 92 HA SER 28 HA SER 28 -40.520 31.294 -2.558 93 HB2 SER 28 HB1 SER 28 -40.566 32.393 -0.352 94 HB3 SER 28 HB2 SER 28 -42.074 32.661 -1.242 95 HG SER 28 HG SER 28 -42.395 32.056 0.977 96 H SER 29 H SER 29 -38.688 31.143 -0.936 97 HA SER 29 HA SER 29 -38.327 28.317 -0.236 98 HB2 SER 29 HB1 SER 29 -35.988 28.643 -0.438 99 HB3 SER 29 HB2 SER 29 -36.703 29.540 -1.790 100 HG SER 29 HG SER 29 -35.126 30.475 0.119 101 H ALA 30 H ALA 30 -37.774 27.659 1.800 102 HA ALA 30 HA ALA 30 -38.239 29.591 3.932 103 HB1 ALA 30 HB1 ALA 30 -37.941 27.292 5.262 104 HB2 ALA 30 HB2 ALA 30 -39.463 27.777 4.513 105 HB3 ALA 30 HB3 ALA 30 -38.391 26.649 3.681 106 H ASP 31 H ASP 31 -35.957 26.874 3.562 107 HA ASP 31 HA ASP 31 -33.663 28.515 3.996 108 HB2 ASP 31 HB1 ASP 31 -35.025 27.420 6.309 109 HB3 ASP 31 HB2 ASP 31 -33.384 26.773 6.176 110 HD2 ASP 31 HD ASP 31 -33.838 30.481 7.314 111 H LEU 32 H LEU 32 -31.667 27.290 3.957 112 HA LEU 32 HA LEU 32 -31.986 24.524 3.012 113 HB2 LEU 32 HB1 LEU 32 -31.609 26.330 1.200 114 HB3 LEU 32 HB2 LEU 32 -29.953 26.383 1.829 115 HG LEU 32 HG LEU 32 -30.006 23.806 1.391 116 HD11 LEU 32 HD11 LEU 32 -32.557 24.284 0.672 117 HD12 LEU 32 HD12 LEU 32 -31.592 22.951 0.043 118 HD13 LEU 32 HD13 LEU 32 -31.755 24.437 -0.892 119 HD21 LEU 32 HD21 LEU 32 -28.518 24.440 -0.125 120 HD22 LEU 32 HD22 LEU 32 -29.175 26.076 -0.082 121 HD23 LEU 32 HD23 LEU 32 -29.815 24.898 -1.229 122 H HIS 33 H HIS 33 -31.279 23.683 4.967 123 HA HIS 33 HA HIS 33 -29.110 24.509 6.481 124 HB2 HIS 33 HB1 HIS 33 -29.956 21.630 6.094 125 HB3 HIS 33 HB2 HIS 33 -29.140 22.325 7.500 126 HD1 HIS 33 HD1 HIS 33 -31.962 20.845 7.525 127 HD2 HIS 33 HD2 HIS 33 -31.323 24.948 7.658 128 HE1 HIS 33 HE1 HIS 33 -34.023 21.812 8.591 129 HE2 HIS 33 HE2 HIS 33 -33.634 24.321 8.673 130 H GLY 34 H GLY 34 -27.121 24.871 5.729 131 HA2 GLY 34 HA2 GLY 34 -26.022 23.180 3.622 132 HA3 GLY 34 HA3 GLY 34 -25.314 24.664 4.244 133 HA1 GLY 34 HA1 GLY 34 -26.310 22.789 4.359 134 H ALA 35 H ALA 35 -25.057 21.347 4.180 135 HA ALA 35 HA ALA 35 -23.505 21.279 6.682 136 HB1 ALA 35 HB1 ALA 35 -24.905 19.111 5.143 137 HB2 ALA 35 HB2 ALA 35 -23.707 18.762 6.390 138 HB3 ALA 35 HB3 ALA 35 -25.182 19.635 6.805 139 H ARG 36 H ARG 36 -21.365 20.952 6.620 140 HA ARG 36 HA ARG 36 -20.141 20.467 3.992 141 HB2 ARG 36 HB1 ARG 36 -19.634 22.390 5.981 142 HB3 ARG 36 HB2 ARG 36 -18.265 21.268 6.031 143 HG2 ARG 36 HG1 ARG 36 -18.728 21.772 3.309 144 HG3 ARG 36 HG2 ARG 36 -18.850 23.335 4.133 145 HD2 ARG 36 HD1 ARG 36 -16.653 22.291 5.352 146 HD3 ARG 36 HD2 ARG 36 -16.519 21.588 3.734 147 HE ARG 36 HE ARG 36 -16.017 23.662 2.905 148 HH11 ARG 36 HH11 ARG 36 -17.361 24.001 6.098 149 HH12 ARG 36 HH12 ARG 36 -17.008 25.693 6.209 150 HH21 ARG 36 HH21 ARG 36 -15.547 25.890 3.038 151 HH22 ARG 36 HH22 ARG 36 -15.977 26.767 4.467 152 H LYS 37 H LYS 37 -18.984 18.680 3.622 153 HA LYS 37 HA LYS 37 -18.106 17.062 5.912 154 HB2 LYS 37 HB1 LYS 37 -18.721 15.021 4.504 155 HB3 LYS 37 HB2 LYS 37 -20.055 15.916 5.250 156 HG2 LYS 37 HG1 LYS 37 -20.497 17.054 3.126 157 HG3 LYS 37 HG2 LYS 37 -19.166 16.150 2.380 158 HD2 LYS 37 HD1 LYS 37 -20.641 14.133 3.494 159 HD3 LYS 37 HD2 LYS 37 -21.897 15.293 3.024 160 HE2 LYS 37 HE1 LYS 37 -20.082 15.183 0.864 161 HE3 LYS 37 HE2 LYS 37 -20.364 13.512 1.376 162 HZ1 LYS 37 HZ1 LYS 37 -22.386 15.503 0.524 163 HZ2 LYS 37 HZ2 LYS 37 -22.797 14.050 1.285 164 HZ3 LYS 37 HZ3 LYS 37 -22.010 14.026 -0.212 165 H GLY 38 H GLY 38 -16.202 15.917 5.624 166 HA2 GLY 38 HA2 GLY 38 -14.874 16.132 3.013 167 HA3 GLY 38 HA3 GLY 38 -14.061 16.785 4.427 168 HA1 GLY 38 HA1 GLY 38 -15.381 15.501 3.367 169 H SER 39 H SER 39 -13.710 14.391 2.467 170 HA SER 39 HA SER 39 -12.425 12.692 4.352 171 HB2 SER 39 HB1 SER 39 -15.149 12.174 4.034 172 HB3 SER 39 HB2 SER 39 -14.350 10.980 2.995 173 HG SER 39 HG SER 39 -14.618 10.871 5.599 174 H GLN 40 H GLN 40 -11.050 11.201 3.373 175 HA GLN 40 HA GLN 40 -11.107 10.993 0.458 176 HB2 GLN 40 HB1 GLN 40 -8.445 11.297 0.802 177 HB3 GLN 40 HB2 GLN 40 -9.535 12.618 0.354 178 HG2 GLN 40 HG1 GLN 40 -9.475 13.582 2.436 179 HG3 GLN 40 HG2 GLN 40 -9.073 12.057 3.239 180 HE21 GLN 40 HE21 GLN 40 -7.694 14.263 3.917 181 HE22 GLN 40 HE22 GLN 40 -6.078 14.184 3.310 182 H CYS 41 H CYS 41 -8.661 10.201 2.914 183 HA CYS 41 HA CYS 41 -9.291 7.386 2.795 184 HB2 CYS 41 HB1 CYS 41 -7.047 6.703 2.018 185 HB3 CYS 41 HB2 CYS 41 -7.949 7.582 0.782 186 H LEU 42 H LEU 42 -8.476 6.245 4.521 187 HA LEU 42 HA LEU 42 -7.599 7.795 6.762 188 HB2 LEU 42 HB1 LEU 42 -8.356 4.969 6.248 189 HB3 LEU 42 HB2 LEU 42 -7.309 5.288 7.641 190 HG LEU 42 HG LEU 42 -9.594 7.074 7.591 191 HD11 LEU 42 HD11 LEU 42 -10.919 5.453 6.597 192 HD12 LEU 42 HD12 LEU 42 -11.146 5.142 8.318 193 HD13 LEU 42 HD13 LEU 42 -10.057 4.125 7.373 194 HD21 LEU 42 HD21 LEU 42 -9.842 6.157 9.888 195 HD22 LEU 42 HD22 LEU 42 -8.231 6.789 9.545 196 HD23 LEU 42 HD23 LEU 42 -8.515 5.047 9.544 197 H SER 43 H SER 43 -6.077 5.712 4.412 198 HA SER 43 HA SER 43 -3.479 6.666 5.108 199 HB2 SER 43 HB1 SER 43 -4.419 4.159 6.288 200 HB3 SER 43 HB2 SER 43 -2.933 3.955 5.343 201 HG SER 43 HG SER 43 -3.349 5.327 7.708 202 H ASP 44 H ASP 44 -1.765 5.322 3.832 203 HA ASP 44 HA ASP 44 -2.493 5.434 1.103 204 HB2 ASP 44 HB1 ASP 44 -0.226 4.384 0.725 205 HB3 ASP 44 HB2 ASP 44 -0.219 5.873 1.677 206 HD2 ASP 44 HD ASP 44 1.085 4.290 4.425 207 H THR 45 H THR 45 -2.521 2.888 3.452 208 HA THR 45 HA THR 45 -2.724 0.777 1.480 209 HB THR 45 HB THR 45 -3.528 -0.130 4.065 210 HG1 THR 45 HG1 THR 45 -2.498 1.416 5.165 211 HG21 THR 45 HG21 THR 45 -2.045 -1.768 3.602 212 HG22 THR 45 HG22 THR 45 -0.765 -0.631 3.186 213 HG23 THR 45 HG23 THR 45 -2.009 -1.029 2.002 214 H ASP 46 H ASP 46 -4.799 3.081 2.371 215 HA ASP 46 HA ASP 46 -7.169 1.653 2.991 216 HB2 ASP 46 HB1 ASP 46 -6.707 4.130 3.374 217 HB3 ASP 46 HB2 ASP 46 -7.046 4.354 1.653 218 HD2 ASP 46 HD ASP 46 -10.454 3.464 2.182 219 H CYS 47 H CYS 47 -5.527 2.397 0.031 220 HA CYS 47 HA CYS 47 -7.798 1.847 -1.660 221 HB2 CYS 47 HB1 CYS 47 -5.171 2.969 -1.968 222 HB3 CYS 47 HB2 CYS 47 -5.392 1.676 -3.148 223 H ASN 48 H ASN 48 -8.434 -0.078 -2.372 224 HA ASN 48 HA ASN 48 -7.463 -2.488 -1.442 225 HB2 ASN 48 HB1 ASN 48 -8.638 -3.446 -3.555 226 HB3 ASN 48 HB2 ASN 48 -9.609 -2.591 -2.349 227 HD21 ASN 48 HD21 ASN 48 -8.463 -2.611 -5.574 228 HD22 ASN 48 HD22 ASN 48 -9.286 -1.190 -6.114 229 H THR 49 H THR 49 -6.869 -1.035 -4.642 230 HA THR 49 HA THR 49 -5.051 -3.030 -5.494 231 HB THR 49 HB THR 49 -4.441 -0.560 -6.786 232 HG1 THR 49 HG1 THR 49 -6.317 0.411 -6.935 233 HG21 THR 49 HG21 THR 49 -5.046 -1.714 -8.717 234 HG22 THR 49 HG22 THR 49 -6.284 -2.655 -7.884 235 HG23 THR 49 HG23 THR 49 -4.577 -3.010 -7.616 236 H ARG 50 H ARG 50 -2.745 -2.401 -6.164 237 HA ARG 50 HA ARG 50 -1.337 -1.654 -3.768 238 HB2 ARG 50 HB1 ARG 50 0.699 -2.145 -5.100 239 HB3 ARG 50 HB2 ARG 50 -0.469 -3.476 -5.089 240 HG2 ARG 50 HG1 ARG 50 -1.116 -1.893 -7.324 241 HG3 ARG 50 HG2 ARG 50 0.646 -2.073 -7.316 242 HD2 ARG 50 HD1 ARG 50 0.185 -4.008 -8.398 243 HD3 ARG 50 HD2 ARG 50 -0.065 -4.601 -6.750 244 HE ARG 50 HE ARG 50 -2.474 -3.524 -7.741 245 HH11 ARG 50 HH11 ARG 50 -0.360 -6.262 -8.138 246 HH12 ARG 50 HH12 ARG 50 -1.624 -7.329 -8.649 247 HH21 ARG 50 HH21 ARG 50 -4.148 -4.920 -8.412 248 HH22 ARG 50 HH22 ARG 50 -3.779 -6.565 -8.805 249 H LYS 51 H LYS 51 -2.571 0.554 -4.130 250 HA LYS 51 HA LYS 51 -0.613 2.375 -5.353 251 HB2 LYS 51 HB1 LYS 51 -3.624 2.669 -5.479 252 HB3 LYS 51 HB2 LYS 51 -2.443 3.829 -6.105 253 HG2 LYS 51 HG1 LYS 51 -2.020 2.626 -7.964 254 HG3 LYS 51 HG2 LYS 51 -2.185 1.077 -7.118 255 HD2 LYS 51 HD1 LYS 51 -4.135 0.885 -8.210 256 HD3 LYS 51 HD2 LYS 51 -4.741 2.055 -7.025 257 HE2 LYS 51 HE1 LYS 51 -4.390 3.890 -8.507 258 HE3 LYS 51 HE2 LYS 51 -3.462 2.877 -9.622 259 HZ1 LYS 51 HZ1 LYS 51 -6.163 1.973 -9.092 260 HZ2 LYS 51 HZ2 LYS 51 -5.315 2.052 -10.553 261 HZ3 LYS 51 HZ3 LYS 51 -6.051 3.440 -9.926 262 H PHE 52 H PHE 52 -0.440 4.440 -4.371 263 HA PHE 52 HA PHE 52 -1.275 4.433 -1.564 264 HB2 PHE 52 HB1 PHE 52 0.491 5.967 -1.132 265 HB3 PHE 52 HB2 PHE 52 1.154 4.723 -2.193 266 HD1 PHE 52 HD1 PHE 52 1.730 5.196 -4.498 267 HD2 PHE 52 HD2 PHE 52 0.186 8.230 -1.943 268 HE1 PHE 52 HE1 PHE 52 2.466 6.914 -6.099 269 HE2 PHE 52 HE2 PHE 52 0.918 9.953 -3.540 270 HZ PHE 52 HZ PHE 52 2.059 9.296 -5.621 271 H CYS 53 H CYS 53 -1.448 6.879 -0.747 272 HA CYS 53 HA CYS 53 -3.603 8.051 -2.356 273 HB2 CYS 53 HB1 CYS 53 -3.374 7.483 0.380 274 HB3 CYS 53 HB2 CYS 53 -3.255 9.238 0.264 275 H LEU 54 H LEU 54 -3.008 9.664 -3.639 276 HA LEU 54 HA LEU 54 -0.749 11.361 -2.873 277 HB2 LEU 54 HB1 LEU 54 -0.610 10.398 -5.078 278 HB3 LEU 54 HB2 LEU 54 -2.220 11.020 -5.481 279 HG LEU 54 HG LEU 54 -0.822 13.306 -4.845 280 HD11 LEU 54 HD11 LEU 54 1.010 11.301 -6.112 281 HD12 LEU 54 HD12 LEU 54 1.319 12.394 -4.763 282 HD13 LEU 54 HD13 LEU 54 1.197 13.031 -6.403 283 HD21 LEU 54 HD21 LEU 54 -0.841 13.696 -7.281 284 HD22 LEU 54 HD22 LEU 54 -2.378 13.077 -6.679 285 HD23 LEU 54 HD23 LEU 54 -1.265 12.002 -7.528 286 H GLN 55 H GLN 55 -1.138 13.238 -1.924 287 HA GLN 55 HA GLN 55 -3.744 14.531 -2.364 288 HB2 GLN 55 HB1 GLN 55 -3.509 14.033 -0.063 289 HB3 GLN 55 HB2 GLN 55 -1.832 14.601 -0.038 290 HG2 GLN 55 HG1 GLN 55 -2.427 16.700 0.390 291 HG3 GLN 55 HG2 GLN 55 -3.679 16.678 -0.860 292 HE21 GLN 55 HE21 GLN 55 -5.522 17.292 0.005 293 HE22 GLN 55 HE22 GLN 55 -6.170 16.754 1.512 294 HA PRO 56 HA PRO 56 -0.857 17.292 -4.601 295 HB2 PRO 56 HB1 PRO 56 -2.726 18.121 -6.423 296 HB3 PRO 56 HB2 PRO 56 -1.803 16.629 -6.587 297 HG2 PRO 56 HG1 PRO 56 -4.573 17.041 -5.514 298 HG3 PRO 56 HG2 PRO 56 -3.970 15.790 -6.664 299 HD2 PRO 56 HD1 PRO 56 -4.399 15.275 -4.033 300 HD3 PRO 56 HD2 PRO 56 -3.104 14.500 -4.960 301 H ARG 57 H ARG 57 -0.667 19.515 -4.520 302 HA ARG 57 HA ARG 57 -2.382 20.852 -2.618 303 HB2 ARG 57 HB1 ARG 57 -0.798 22.759 -2.927 304 HB3 ARG 57 HB2 ARG 57 -0.025 21.250 -2.419 305 HG2 ARG 57 HG1 ARG 57 1.073 20.959 -4.399 306 HG3 ARG 57 HG2 ARG 57 -0.160 21.830 -5.326 307 HD2 ARG 57 HD1 ARG 57 1.567 23.268 -3.327 308 HD3 ARG 57 HD2 ARG 57 2.140 22.943 -4.969 309 HE ARG 57 HE ARG 57 -0.309 24.104 -5.317 310 HH11 ARG 57 HH11 ARG 57 2.636 24.988 -3.685 311 HH12 ARG 57 HH12 ARG 57 2.408 26.690 -3.916 312 HH21 ARG 57 HH21 ARG 57 -0.621 26.342 -5.628 313 HH22 ARG 57 HH22 ARG 57 0.554 27.459 -5.020 314 H ASP 58 H ASP 58 -1.928 20.754 -6.055 315 HA ASP 58 HA ASP 58 -3.517 23.156 -6.489 316 HB2 ASP 58 HB1 ASP 58 -1.495 21.841 -7.937 317 HB3 ASP 58 HB2 ASP 58 -2.971 21.639 -8.888 318 HD2 ASP 58 HD ASP 58 -1.214 25.048 -9.085 319 H GLU 59 H GLU 59 -3.893 19.732 -6.385 320 HA GLU 59 HA GLU 59 -6.657 20.021 -7.365 321 HB2 GLU 59 HB1 GLU 59 -4.672 17.791 -7.764 322 HB3 GLU 59 HB2 GLU 59 -6.415 17.516 -7.917 323 HG2 GLU 59 HG1 GLU 59 -6.607 18.811 -9.817 324 HG3 GLU 59 HG2 GLU 59 -5.137 19.728 -9.455 325 HE2 GLU 59 HE GLU 59 -4.449 16.079 -10.870 326 H LYS 60 H LYS 60 -7.870 17.830 -6.612 327 HA LYS 60 HA LYS 60 -7.853 17.997 -3.717 328 HB2 LYS 60 HB1 LYS 60 -9.883 16.535 -3.897 329 HB3 LYS 60 HB2 LYS 60 -10.010 18.082 -4.749 330 HG2 LYS 60 HG1 LYS 60 -10.187 17.121 -6.771 331 HG3 LYS 60 HG2 LYS 60 -9.002 15.861 -6.380 332 HD2 LYS 60 HD1 LYS 60 -10.797 14.824 -4.900 333 HD3 LYS 60 HD2 LYS 60 -11.928 15.937 -5.688 334 HE2 LYS 60 HE1 LYS 60 -11.018 14.994 -7.908 335 HE3 LYS 60 HE2 LYS 60 -10.348 13.696 -6.909 336 HZ1 LYS 60 HZ1 LYS 60 -12.622 13.294 -6.064 337 HZ2 LYS 60 HZ2 LYS 60 -12.469 13.016 -7.724 338 HZ3 LYS 60 HZ3 LYS 60 -13.212 14.431 -7.170 339 HA PRO 61 HA PRO 61 -5.707 14.261 -2.879 340 HB2 PRO 61 HB1 PRO 61 -7.007 13.381 -0.635 341 HB3 PRO 61 HB2 PRO 61 -5.923 14.772 -0.650 342 HG2 PRO 61 HG1 PRO 61 -8.917 14.693 -0.826 343 HG3 PRO 61 HG2 PRO 61 -7.861 15.761 0.172 344 HD2 PRO 61 HD1 PRO 61 -9.019 16.591 -2.140 345 HD3 PRO 61 HD2 PRO 61 -7.427 17.159 -1.608 346 H PHE 62 H PHE 62 -5.765 12.236 -3.645 347 HA PHE 62 HA PHE 62 -8.067 10.559 -3.475 348 HB2 PHE 62 HB1 PHE 62 -8.652 10.363 -5.772 349 HB3 PHE 62 HB2 PHE 62 -8.630 12.089 -5.407 350 HD1 PHE 62 HD1 PHE 62 -7.668 9.735 -7.753 351 HD2 PHE 62 HD2 PHE 62 -6.223 13.216 -5.778 352 HE1 PHE 62 HE1 PHE 62 -6.091 10.125 -9.602 353 HE2 PHE 62 HE2 PHE 62 -4.646 13.614 -7.623 354 HZ PHE 62 HZ PHE 62 -4.579 12.068 -9.540 355 H CYS 63 H CYS 63 -7.649 8.562 -5.064 356 HA CYS 63 HA CYS 63 -5.029 7.584 -4.311 357 HB2 CYS 63 HB1 CYS 63 -7.434 6.381 -4.372 358 HB3 CYS 63 HB2 CYS 63 -6.843 5.918 -5.969 359 H ALA 64 H ALA 64 -3.318 7.384 -5.611 360 HA ALA 64 HA ALA 64 -3.720 7.553 -8.519 361 HB1 ALA 64 HB1 ALA 64 -1.567 9.040 -7.021 362 HB2 ALA 64 HB2 ALA 64 -1.865 9.075 -8.759 363 HB3 ALA 64 HB3 ALA 64 -3.046 9.767 -7.647 364 H THR 65 H THR 65 -1.882 6.747 -9.773 365 HA THR 65 HA THR 65 -1.070 4.214 -9.040 366 HB THR 65 HB THR 65 0.969 5.011 -10.715 367 HG1 THR 65 HG1 THR 65 -1.336 6.390 -11.619 368 HG21 THR 65 HG21 THR 65 -1.044 3.230 -10.795 369 HG22 THR 65 HG22 THR 65 -0.034 3.610 -12.190 370 HG23 THR 65 HG23 THR 65 -1.612 4.375 -12.009 371 H CYS 66 H CYS 66 1.130 3.397 -8.637 372 HA CYS 66 HA CYS 66 2.379 4.925 -6.507 373 HB2 CYS 66 HB1 CYS 66 1.882 2.253 -6.840 374 HB3 CYS 66 HB2 CYS 66 3.588 2.354 -7.278 375 H ARG 67 H ARG 67 4.889 4.657 -6.425 376 HA ARG 67 HA ARG 67 5.932 5.527 -9.038 377 HB2 ARG 67 HB1 ARG 67 7.143 6.175 -6.350 378 HB3 ARG 67 HB2 ARG 67 7.472 6.943 -7.910 379 HG2 ARG 67 HG1 ARG 67 4.733 7.295 -7.514 380 HG3 ARG 67 HG2 ARG 67 5.480 7.589 -5.935 381 HD2 ARG 67 HD1 ARG 67 5.540 9.693 -6.930 382 HD3 ARG 67 HD2 ARG 67 7.158 9.049 -7.241 383 HE ARG 67 HE ARG 67 6.693 9.050 -9.481 384 HH11 ARG 67 HH11 ARG 67 3.717 9.348 -7.701 385 HH12 ARG 67 HH12 ARG 67 2.754 9.653 -9.108 386 HH21 ARG 67 HH21 ARG 67 5.437 9.450 -11.342 387 HH22 ARG 67 HH22 ARG 67 3.733 9.710 -11.178 388 H GLY 68 H GLY 68 8.272 5.083 -9.389 389 HA2 GLY 68 HA2 GLY 68 8.865 2.348 -8.500 390 HA3 GLY 68 HA3 GLY 68 9.539 3.135 -9.919 391 HA1 GLY 68 HA1 GLY 68 8.837 3.008 -7.917 392 H LEU 69 H LEU 69 11.611 2.389 -9.147 393 HA LEU 69 HA LEU 69 12.661 3.390 -6.673 394 HB2 LEU 69 HB1 LEU 69 13.698 1.806 -8.975 395 HB3 LEU 69 HB2 LEU 69 14.867 2.625 -7.926 396 HG LEU 69 HG LEU 69 12.830 0.591 -7.020 397 HD11 LEU 69 HD11 LEU 69 15.770 0.155 -6.917 398 HD12 LEU 69 HD12 LEU 69 14.940 -0.048 -8.461 399 HD13 LEU 69 HD13 LEU 69 14.454 -1.013 -7.065 400 HD21 LEU 69 HD21 LEU 69 14.964 2.132 -5.562 401 HD22 LEU 69 HD22 LEU 69 14.237 0.656 -4.928 402 HD23 LEU 69 HD23 LEU 69 13.234 2.078 -5.222 403 H ARG 70 H ARG 70 13.513 4.013 -10.083 404 HA ARG 70 HA ARG 70 15.214 6.181 -9.564 405 HB2 ARG 70 HB1 ARG 70 13.654 5.330 -11.999 406 HB3 ARG 70 HB2 ARG 70 14.674 6.778 -12.006 407 HG2 ARG 70 HG1 ARG 70 16.313 4.793 -10.950 408 HG3 ARG 70 HG2 ARG 70 15.419 4.001 -12.259 409 HD2 ARG 70 HD1 ARG 70 16.160 5.601 -13.865 410 HD3 ARG 70 HD2 ARG 70 16.809 6.650 -12.595 411 HE ARG 70 HE ARG 70 18.057 4.101 -12.534 412 HH11 ARG 70 HH11 ARG 70 17.988 7.105 -14.294 413 HH12 ARG 70 HH12 ARG 70 19.623 6.967 -14.850 414 HH21 ARG 70 HH21 ARG 70 20.211 3.910 -13.259 415 HH22 ARG 70 HH22 ARG 70 20.886 5.149 -14.261 416 H ARG 71 H ARG 71 11.762 5.954 -9.733 417 HA ARG 71 HA ARG 71 11.022 8.548 -10.351 418 HB2 ARG 71 HB1 ARG 71 9.810 6.244 -9.065 419 HB3 ARG 71 HB2 ARG 71 9.242 7.762 -8.355 420 HG2 ARG 71 HG1 ARG 71 7.788 6.988 -10.174 421 HG3 ARG 71 HG2 ARG 71 8.530 8.559 -10.522 422 HD2 ARG 71 HD1 ARG 71 9.621 7.778 -12.319 423 HD3 ARG 71 HD2 ARG 71 10.150 6.329 -11.452 424 HE ARG 71 HE ARG 71 8.438 5.176 -12.423 425 HH11 ARG 71 HH11 ARG 71 7.748 8.582 -12.623 426 HH12 ARG 71 HH12 ARG 71 6.339 8.373 -13.608 427 HH21 ARG 71 HH21 ARG 71 6.583 4.887 -13.720 428 HH22 ARG 71 HH22 ARG 71 5.676 6.270 -14.230 429 H ARG 72 H ARG 72 10.860 10.449 -9.252 430 HA ARG 72 HA ARG 72 12.470 10.709 -6.869 431 HB2 ARG 72 HB1 ARG 72 10.875 12.813 -8.352 432 HB3 ARG 72 HB2 ARG 72 12.129 13.104 -7.138 433 HG2 ARG 72 HG1 ARG 72 13.160 11.449 -9.262 434 HG3 ARG 72 HG2 ARG 72 12.458 12.945 -9.902 435 HD2 ARG 72 HD1 ARG 72 14.387 12.918 -7.581 436 HD3 ARG 72 HD2 ARG 72 14.913 13.027 -9.266 437 HE ARG 72 HE ARG 72 12.946 14.995 -8.521 438 HH11 ARG 72 HH11 ARG 72 16.337 14.222 -8.677 439 HH12 ARG 72 HH12 ARG 72 16.847 15.878 -8.691 440 HH21 ARG 72 HH21 ARG 72 13.604 17.179 -8.538 441 HH22 ARG 72 HH22 ARG 72 15.292 17.558 -8.611 442 H CYS 73 H CYS 73 11.771 11.506 -4.866 443 HA CYS 73 HA CYS 73 8.918 11.805 -4.394 444 HB2 CYS 73 HB1 CYS 73 8.847 10.155 -2.603 445 HB3 CYS 73 HB2 CYS 73 9.298 9.389 -4.127 446 H GLN 74 H GLN 74 8.593 12.217 -1.917 447 HA GLN 74 HA GLN 74 10.826 13.853 -0.922 448 HB2 GLN 74 HB1 GLN 74 7.999 14.608 -1.435 449 HB3 GLN 74 HB2 GLN 74 8.736 15.233 0.048 450 HG2 GLN 74 HG1 GLN 74 10.679 15.766 -1.791 451 HG3 GLN 74 HG2 GLN 74 9.201 15.976 -2.740 452 HE21 GLN 74 HE21 GLN 74 7.941 17.726 -2.413 453 HE22 GLN 74 HE22 GLN 74 8.294 18.981 -1.279 454 H ARG 75 H ARG 75 7.903 12.034 -0.155 455 HA ARG 75 HA ARG 75 8.757 11.894 2.654 456 HB2 ARG 75 HB1 ARG 75 6.309 12.524 1.646 457 HB3 ARG 75 HB2 ARG 75 6.129 10.784 1.914 458 HG2 ARG 75 HG1 ARG 75 6.977 11.182 4.270 459 HG3 ARG 75 HG2 ARG 75 6.760 12.907 3.939 460 HD2 ARG 75 HD1 ARG 75 4.517 10.967 3.457 461 HD3 ARG 75 HD2 ARG 75 4.843 11.593 5.079 462 HE ARG 75 HE ARG 75 3.692 13.029 2.869 463 HH11 ARG 75 HH11 ARG 75 5.420 13.302 5.879 464 HH12 ARG 75 HH12 ARG 75 4.894 14.925 6.184 465 HH21 ARG 75 HH21 ARG 75 2.992 15.164 3.260 466 HH22 ARG 75 HH22 ARG 75 3.511 15.982 4.694 467 H ASP 76 H ASP 76 8.352 9.785 3.753 468 HA ASP 76 HA ASP 76 9.626 7.686 2.282 469 HB2 ASP 76 HB1 ASP 76 9.209 6.369 4.423 470 HB3 ASP 76 HB2 ASP 76 10.200 7.826 4.576 471 HD2 ASP 76 HD ASP 76 7.649 9.497 6.334 472 H ALA 77 H ALA 77 6.422 8.012 3.807 473 HA ALA 77 HA ALA 77 5.400 5.564 2.861 474 HB1 ALA 77 HB1 ALA 77 3.488 6.137 3.920 475 HB2 ALA 77 HB2 ALA 77 4.528 7.366 4.642 476 HB3 ALA 77 HB3 ALA 77 3.493 7.779 3.275 477 H MET 78 H MET 78 5.784 8.660 1.361 478 HA MET 78 HA MET 78 3.841 8.624 -0.609 479 HB2 MET 78 HB1 MET 78 6.491 9.873 -0.262 480 HB3 MET 78 HB2 MET 78 5.959 9.708 -1.941 481 HG2 MET 78 HG1 MET 78 3.763 10.786 -1.168 482 HG3 MET 78 HG2 MET 78 4.662 11.236 0.283 483 HE1 MET 78 HE1 MET 78 4.818 10.936 -3.368 484 HE2 MET 78 HE2 MET 78 4.615 12.619 -3.853 485 HE3 MET 78 HE3 MET 78 6.226 11.905 -3.803 486 H CYS 79 H CYS 79 6.757 6.744 -0.339 487 HA CYS 79 HA CYS 79 6.507 5.751 -3.072 488 HB2 CYS 79 HB1 CYS 79 8.619 5.817 -1.021 489 HB3 CYS 79 HB2 CYS 79 8.547 4.313 -1.943 490 H CYS 80 H CYS 80 6.319 3.509 -3.548 491 HA CYS 80 HA CYS 80 4.311 2.156 -2.222 492 HB2 CYS 80 HB1 CYS 80 6.283 1.525 -4.301 493 HB3 CYS 80 HB2 CYS 80 5.768 0.115 -3.373 494 HA PRO 81 HA PRO 81 6.019 0.180 1.302 495 HB2 PRO 81 HB1 PRO 81 4.796 -2.270 1.261 496 HB3 PRO 81 HB2 PRO 81 3.957 -0.770 1.653 497 HG2 PRO 81 HG1 PRO 81 4.091 -2.248 -0.955 498 HG3 PRO 81 HG2 PRO 81 2.663 -1.521 -0.128 499 HD2 PRO 81 HD1 PRO 81 3.926 -0.314 -2.206 500 HD3 PRO 81 HD2 PRO 81 3.183 0.596 -0.879 501 H GLY 82 H GLY 82 8.086 -0.430 1.438 502 HA2 GLY 82 HA2 GLY 82 9.402 -2.595 1.388 503 HA3 GLY 82 HA3 GLY 82 9.019 -2.606 -0.327 504 HA1 GLY 82 HA1 GLY 82 9.415 -1.732 1.570 505 H THR 83 H THR 83 9.319 0.422 -0.282 506 HA THR 83 HA THR 83 12.265 0.453 -0.362 507 HB THR 83 HB THR 83 11.775 2.459 -2.000 508 HG1 THR 83 HG1 THR 83 9.866 2.136 -3.172 509 HG21 THR 83 HG21 THR 83 12.143 -0.402 -2.368 510 HG22 THR 83 HG22 THR 83 12.896 0.950 -3.215 511 HG23 THR 83 HG23 THR 83 11.323 0.348 -3.737 512 H LEU 84 H LEU 84 13.097 2.823 -0.305 513 HA LEU 84 HA LEU 84 11.598 4.333 1.731 514 HB2 LEU 84 HB1 LEU 84 14.458 3.461 1.704 515 HB3 LEU 84 HB2 LEU 84 14.026 4.998 2.474 516 HG LEU 84 HG LEU 84 12.250 3.402 3.688 517 HD11 LEU 84 HD11 LEU 84 13.258 1.460 2.354 518 HD12 LEU 84 HD12 LEU 84 13.023 1.239 4.087 519 HD13 LEU 84 HD13 LEU 84 14.630 1.594 3.454 520 HD21 LEU 84 HD21 LEU 84 13.447 3.866 5.537 521 HD22 LEU 84 HD22 LEU 84 14.415 4.840 4.430 522 HD23 LEU 84 HD23 LEU 84 14.940 3.213 4.864 523 H CYS 85 H CYS 85 12.145 6.624 1.834 524 HA CYS 85 HA CYS 85 12.776 7.663 -0.836 525 HB2 CYS 85 HB1 CYS 85 10.590 8.208 0.418 526 HB3 CYS 85 HB2 CYS 85 11.590 9.257 1.426 527 H VAL 86 H VAL 86 14.919 7.986 -0.989 528 HA VAL 86 HA VAL 86 16.184 9.651 1.089 529 HB VAL 86 HB VAL 86 17.604 7.529 -0.522 530 HG11 VAL 86 HG11 VAL 86 18.997 9.407 0.228 531 HG12 VAL 86 HG12 VAL 86 18.485 9.112 1.891 532 HG13 VAL 86 HG13 VAL 86 19.434 7.899 1.030 533 HG21 VAL 86 HG21 VAL 86 17.708 6.319 1.687 534 HG22 VAL 86 HG22 VAL 86 16.476 7.437 2.269 535 HG23 VAL 86 HG23 VAL 86 16.122 6.361 0.919 536 H ASN 87 H ASN 87 17.523 11.288 0.408 537 HA ASN 87 HA ASN 87 18.301 12.926 -0.964 538 HB2 ASN 87 HB1 ASN 87 19.245 10.511 -1.971 539 HB3 ASN 87 HB2 ASN 87 18.583 11.333 -3.388 540 HD21 ASN 87 HD21 ASN 87 21.347 10.739 -2.751 541 HD22 ASN 87 HD22 ASN 87 22.178 12.255 -2.730 542 H ASP 88 H ASP 88 15.452 12.424 -0.875 543 HA ASP 88 HA ASP 88 13.548 13.204 -1.848 544 HB2 ASP 88 HB1 ASP 88 15.623 14.909 -2.764 545 HB3 ASP 88 HB2 ASP 88 14.580 14.570 -4.151 546 HD2 ASP 88 HD ASP 88 12.974 16.543 -1.100 547 H VAL 89 H VAL 89 14.931 10.714 -2.759 548 HA VAL 89 HA VAL 89 13.251 10.258 -5.093 549 HB VAL 89 HB VAL 89 15.432 10.931 -6.036 550 HG11 VAL 89 HG11 VAL 89 16.944 10.263 -4.317 551 HG12 VAL 89 HG12 VAL 89 16.446 8.576 -4.454 552 HG13 VAL 89 HG13 VAL 89 17.346 9.341 -5.765 553 HG21 VAL 89 HG21 VAL 89 15.687 9.050 -7.546 554 HG22 VAL 89 HG22 VAL 89 14.827 8.000 -6.420 555 HG23 VAL 89 HG23 VAL 89 13.978 9.328 -7.211 556 H CYS 90 H CYS 90 12.728 8.076 -5.438 557 HA CYS 90 HA CYS 90 12.621 6.477 -3.112 558 HB2 CYS 90 HB1 CYS 90 11.288 6.538 -5.513 559 HB3 CYS 90 HB2 CYS 90 12.247 5.064 -5.661 560 H THR 91 H THR 91 13.692 4.598 -2.552 561 HA THR 91 HA THR 91 15.847 3.615 -4.239 562 HB THR 91 HB THR 91 16.872 5.446 -2.889 563 HG1 THR 91 HG1 THR 91 17.755 2.806 -2.262 564 HG21 THR 91 HG21 THR 91 16.180 3.640 -0.568 565 HG22 THR 91 HG22 THR 91 15.521 5.248 -0.872 566 HG23 THR 91 HG23 THR 91 17.230 5.053 -0.483 567 H THR 92 H THR 92 16.766 1.600 -3.454 568 HA THR 92 HA THR 92 14.750 -0.073 -2.269 569 HB THR 92 HB THR 92 16.776 -1.778 -2.457 570 HG1 THR 92 HG1 THR 92 18.085 -1.087 -4.288 571 HG21 THR 92 HG21 THR 92 15.862 -1.055 -5.146 572 HG22 THR 92 HG22 THR 92 14.564 -1.209 -3.963 573 HG23 THR 92 HG23 THR 92 15.662 -2.559 -4.246 574 H MET 93 H MET 93 15.103 -1.466 -0.434 575 HA MET 93 HA MET 93 16.081 -0.094 1.824 576 HB2 MET 93 HB1 MET 93 14.417 -2.220 1.423 577 HB3 MET 93 HB2 MET 93 15.859 -3.021 2.065 578 HG2 MET 93 HG1 MET 93 15.473 -0.810 3.727 579 HG3 MET 93 HG2 MET 93 13.859 -1.463 3.433 580 HE1 MET 93 HE1 MET 93 16.902 -3.011 6.312 581 HE2 MET 93 HE2 MET 93 17.410 -2.113 4.881 582 HE3 MET 93 HE3 MET 93 16.271 -1.390 6.019 583 H GLU 94 H GLU 94 17.454 -2.655 -0.178 584 HA GLU 94 HA GLU 94 19.686 -3.227 1.442 585 HB2 GLU 94 HB1 GLU 94 19.283 -3.502 -1.545 586 HB3 GLU 94 HB2 GLU 94 20.675 -4.153 -0.666 587 HG2 GLU 94 HG1 GLU 94 18.057 -4.931 0.424 588 HG3 GLU 94 HG2 GLU 94 18.407 -5.530 -1.202 589 HE2 GLU 94 HE GLU 94 20.848 -7.696 -0.048 590 H ASP 95 H ASP 95 19.049 -0.717 -0.893 591 HA ASP 95 HA ASP 95 21.766 0.120 -1.193 592 HB2 ASP 95 HB1 ASP 95 19.153 0.904 -2.211 593 HB3 ASP 95 HB2 ASP 95 20.150 2.309 -1.809 594 HD2 ASP 95 HD ASP 95 20.864 0.771 -5.176 595 H ALA 96 H ALA 96 18.982 1.456 0.586 596 HA ALA 96 HA ALA 96 20.366 3.569 1.810 597 HB1 ALA 96 HB1 ALA 96 18.281 2.635 3.524 598 HB2 ALA 96 HB2 ALA 96 18.318 4.069 2.498 599 HB3 ALA 96 HB3 ALA 96 17.747 2.533 1.847 600 H THR 97 H THR 97 20.175 3.544 4.441 601 HA THR 97 HA THR 97 21.277 2.935 6.338 602 HB THR 97 HB THR 97 20.809 0.114 5.357 603 HG1 THR 97 HG1 THR 97 18.941 0.414 6.886 604 HG21 THR 97 HG21 THR 97 20.662 -0.187 7.943 605 HG22 THR 97 HG22 THR 97 21.598 1.308 7.985 606 HG23 THR 97 HG23 THR 97 22.242 -0.113 7.164 607 H GLU 98 H GLU 98 23.184 3.864 5.139 608 HA GLU 98 HA GLU 98 25.442 2.214 5.537 609 HB2 GLU 98 HB1 GLU 98 24.383 1.477 3.247 610 HB3 GLU 98 HB2 GLU 98 25.172 2.945 2.649 611 HG2 GLU 98 HG1 GLU 98 26.859 1.497 2.252 612 HG3 GLU 98 HG2 GLU 98 27.242 1.889 3.934 613 HE2 GLU 98 HE GLU 98 26.261 -1.279 5.034 614 H ASN 99 H ASN 99 25.240 4.427 6.737 615 HA ASN 99 HA ASN 99 27.315 6.083 5.768 616 HB2 ASN 99 HB1 ASN 99 24.726 6.709 4.774 617 HB3 ASN 99 HB2 ASN 99 25.160 7.961 5.945 618 HD21 ASN 99 HD21 ASN 99 25.500 6.917 2.789 619 HD22 ASN 99 HD22 ASN 99 26.784 7.964 2.304 620 H LEU 100 H LEU 100 27.344 8.228 7.132 621 HA LEU 100 HA LEU 100 26.258 7.748 9.811 622 HB2 LEU 100 HB1 LEU 100 28.585 8.631 10.620 623 HB3 LEU 100 HB2 LEU 100 28.343 6.917 10.245 624 HG LEU 100 HG LEU 100 29.446 7.190 8.104 625 HD11 LEU 100 HD11 LEU 100 29.085 9.252 7.233 626 HD12 LEU 100 HD12 LEU 100 30.675 9.543 7.940 627 HD13 LEU 100 HD13 LEU 100 29.221 10.062 8.794 628 HD21 LEU 100 HD21 LEU 100 30.658 7.374 10.611 629 HD22 LEU 100 HD22 LEU 100 31.488 8.561 9.606 630 HD23 LEU 100 HD23 LEU 100 31.409 6.874 9.096 631 H TYR 101 H TYR 101 26.750 9.727 11.251 632 HA TYR 101 HA TYR 101 26.323 12.156 9.636 633 HB2 TYR 101 HB1 TYR 101 25.116 13.029 11.676 634 HB3 TYR 101 HB2 TYR 101 24.317 11.699 10.834 635 HD1 TYR 101 HD1 TYR 101 23.547 9.886 12.049 636 HD2 TYR 101 HD2 TYR 101 26.667 12.276 13.679 637 HE1 TYR 101 HE1 TYR 101 23.444 8.587 14.136 638 HE2 TYR 101 HE2 TYR 101 26.574 10.983 15.769 639 HH TYR 101 HH TYR 101 25.817 8.624 16.442 640 H PHE 102 H PHE 102 26.853 14.199 10.965 641 HA PHE 102 HA PHE 102 29.217 13.815 12.649 642 HB2 PHE 102 HB1 PHE 102 29.181 14.920 9.944 643 HB3 PHE 102 HB2 PHE 102 29.876 16.037 11.119 644 HD1 PHE 102 HD1 PHE 102 30.121 12.495 10.011 645 HD2 PHE 102 HD2 PHE 102 32.090 15.843 11.748 646 HE1 PHE 102 HE1 PHE 102 32.252 11.268 9.948 647 HE2 PHE 102 HE2 PHE 102 34.225 14.623 11.688 648 HZ PHE 102 HZ PHE 102 34.309 12.333 10.786 649 H GLN 103 H GLN 103 29.916 15.955 13.634 650 HA GLN 103 HA GLN 103 27.699 17.830 13.978 651 HB2 GLN 103 HB1 GLN 103 27.919 17.784 16.420 652 HB3 GLN 103 HB2 GLN 103 27.434 16.205 15.781 653 HG2 GLN 103 HG1 GLN 103 30.183 16.031 15.827 654 HG3 GLN 103 HG2 GLN 103 29.803 16.960 17.283 655 HE21 GLN 103 HE21 GLN 103 30.152 13.917 16.046 656 HE22 GLN 103 HE22 GLN 103 29.303 13.022 17.254 657 H SER 104 H SER 104 28.310 19.912 14.479 658 HA SER 104 HA SER 104 31.207 20.421 14.383 659 HB2 SER 104 HB1 SER 104 29.121 21.440 12.806 660 HB3 SER 104 HB2 SER 104 29.570 22.763 13.898 661 HG SER 104 HG SER 104 31.356 23.004 12.829 662 H LEU 105 H LEU 105 32.184 21.508 15.991 663 HA LEU 105 HA LEU 105 30.496 22.414 18.220 664 HB2 LEU 105 HB1 LEU 105 33.068 21.020 18.026 665 HB3 LEU 105 HB2 LEU 105 33.055 22.357 19.190 666 HG LEU 105 HG LEU 105 32.572 20.196 20.247 667 HD11 LEU 105 HD11 LEU 105 31.670 21.908 21.488 668 HD12 LEU 105 HD12 LEU 105 30.244 20.922 21.169 669 HD13 LEU 105 HD13 LEU 105 30.539 22.379 20.220 670 HD21 LEU 105 HD21 LEU 105 31.283 19.474 18.054 671 HD22 LEU 105 HD22 LEU 105 29.898 20.088 18.956 672 HD23 LEU 105 HD23 LEU 105 30.886 18.790 19.630 673 H GLU 106 H GLU 106 30.085 24.527 17.876 674 HA GLU 106 HA GLU 106 32.302 26.289 17.111 675 HB2 GLU 106 HB1 GLU 106 30.523 27.987 16.724 676 HB3 GLU 106 HB2 GLU 106 30.346 26.535 15.727 677 HG2 GLU 106 HG1 GLU 106 28.900 26.482 18.293 678 HG3 GLU 106 HG2 GLU 106 28.340 27.679 17.118 679 HE2 GLU 106 HE GLU 106 26.974 24.201 16.602 680 H HIS 107 H HIS 107 32.217 28.517 18.158 681 HA HIS 107 HA HIS 107 31.576 28.271 21.023 682 HB2 HIS 107 HB1 HIS 107 34.118 29.009 19.681 683 HB3 HIS 107 HB2 HIS 107 33.668 29.974 21.091 684 HD1 HIS 107 HD1 HIS 107 34.717 26.520 20.117 685 HD2 HIS 107 HD2 HIS 107 33.778 28.654 23.556 686 HE1 HIS 107 HE1 HIS 107 35.453 25.067 22.032 687 HE2 HIS 107 HE2 HIS 107 34.879 26.370 24.135 688 H HIS 108 H HIS 108 31.467 30.431 22.126 689 HA HIS 108 HA HIS 108 30.162 32.372 20.338 690 HB2 HIS 108 HB1 HIS 108 29.024 31.125 22.432 691 HB3 HIS 108 HB2 HIS 108 29.719 32.515 23.271 692 HD1 HIS 108 HD1 HIS 108 27.758 33.987 23.692 693 HD2 HIS 108 HD2 HIS 108 27.879 32.617 19.771 694 HE1 HIS 108 HE1 HIS 108 25.904 35.197 22.499 695 HE2 HIS 108 HE2 HIS 108 25.977 34.360 20.102 696 H HIS 109 H HIS 109 30.168 34.662 21.422 697 HA HIS 109 HA HIS 109 32.923 35.227 22.305 698 HB2 HIS 109 HB1 HIS 109 32.683 37.429 21.146 699 HB3 HIS 109 HB2 HIS 109 32.678 36.038 20.058 700 HD1 HIS 109 HD1 HIS 109 31.234 36.820 18.180 701 HD2 HIS 109 HD2 HIS 109 29.496 37.500 21.892 702 HE1 HIS 109 HE1 HIS 109 28.906 37.637 17.693 703 HE2 HIS 109 HE2 HIS 109 27.844 38.053 19.960 704 H HIS 110 H HIS 110 32.897 37.698 23.129 705 HA HIS 110 HA HIS 110 30.636 37.979 24.992 706 HB2 HIS 110 HB1 HIS 110 33.527 37.737 25.570 707 HB3 HIS 110 HB2 HIS 110 32.685 39.021 26.442 708 HD1 HIS 110 HD1 HIS 110 33.127 35.367 26.372 709 HD2 HIS 110 HD2 HIS 110 30.573 38.112 28.162 710 HE1 HIS 110 HE1 HIS 110 31.956 34.101 28.204 711 HE2 HIS 110 HE2 HIS 110 30.394 35.779 29.298 712 H HIS 111 H HIS 111 30.783 40.240 26.092 713 HA HIS 111 HA HIS 111 31.100 42.187 23.924 714 HB2 HIS 111 HB1 HIS 111 29.270 41.882 26.207 715 HB3 HIS 111 HB2 HIS 111 29.848 43.533 25.962 716 HD1 HIS 111 HD1 HIS 111 29.069 44.784 23.855 717 HD2 HIS 111 HD2 HIS 111 27.597 40.911 24.149 718 HE1 HIS 111 HE1 HIS 111 27.261 44.620 22.116 719 HE2 HIS 111 HE2 HIS 111 26.359 42.253 22.295 720 H HIS 112 H HIS 112 31.603 42.057 27.456 721 HA HIS 112 HA HIS 112 34.004 43.720 27.075 722 HB2 HIS 112 HB1 HIS 112 31.776 44.699 28.211 723 HB3 HIS 112 HB2 HIS 112 32.513 43.956 29.635 724 HD1 HIS 112 HD1 HIS 112 32.837 46.854 27.363 725 HD2 HIS 112 HD2 HIS 112 35.020 45.072 30.416 726 HE1 HIS 112 HE1 HIS 112 34.570 48.550 28.029 727 HE2 HIS 112 HE2 HIS 112 35.905 47.461 29.894 Start of MODEL 56 1 H1 MET 18 H MET 18 -23.288 -25.469 41.630 2 HA MET 18 HA MET 18 -24.364 -23.341 42.856 3 HB2 MET 18 HB1 MET 18 -22.144 -22.183 42.645 4 HB3 MET 18 HB2 MET 18 -22.061 -23.855 43.219 5 HG2 MET 18 HG1 MET 18 -20.723 -24.443 41.552 6 HG3 MET 18 HG2 MET 18 -21.860 -23.803 40.364 7 HE1 MET 18 HE1 MET 18 -17.838 -22.437 40.468 8 HE2 MET 18 HE2 MET 18 -18.496 -23.867 41.264 9 HE3 MET 18 HE3 MET 18 -18.786 -23.602 39.543 10 H LEU 19 H LEU 19 -26.090 -22.865 41.193 11 HA LEU 19 HA LEU 19 -25.212 -20.587 39.554 12 HB2 LEU 19 HB1 LEU 19 -26.114 -23.014 38.542 13 HB3 LEU 19 HB2 LEU 19 -27.530 -21.952 38.468 14 HG LEU 19 HG LEU 19 -26.364 -21.904 36.359 15 HD11 LEU 19 HD11 LEU 19 -25.657 -19.304 37.662 16 HD12 LEU 19 HD12 LEU 19 -27.340 -19.788 37.462 17 HD13 LEU 19 HD13 LEU 19 -26.302 -19.606 36.049 18 HD21 LEU 19 HD21 LEU 19 -23.951 -20.585 37.398 19 HD22 LEU 19 HD22 LEU 19 -24.135 -21.757 36.092 20 HD23 LEU 19 HD23 LEU 19 -24.091 -22.303 37.769 21 H VAL 20 H VAL 20 -26.104 -18.830 40.396 22 HA VAL 20 HA VAL 20 -28.572 -18.979 41.906 23 HB VAL 20 HB VAL 20 -28.209 -16.574 42.336 24 HG11 VAL 20 HG11 VAL 20 -26.874 -17.122 44.035 25 HG12 VAL 20 HG12 VAL 20 -26.759 -18.725 43.305 26 HG13 VAL 20 HG13 VAL 20 -25.534 -17.504 42.956 27 HG21 VAL 20 HG21 VAL 20 -27.056 -15.405 40.833 28 HG22 VAL 20 HG22 VAL 20 -25.594 -16.142 41.491 29 HG23 VAL 20 HG23 VAL 20 -26.399 -16.867 40.101 30 H LEU 21 H LEU 21 -30.539 -18.473 41.180 31 HA LEU 21 HA LEU 21 -30.909 -17.806 38.411 32 HB2 LEU 21 HB1 LEU 21 -32.516 -18.807 40.612 33 HB3 LEU 21 HB2 LEU 21 -33.368 -17.560 39.686 34 HG LEU 21 HG LEU 21 -32.089 -19.668 38.073 35 HD11 LEU 21 HD11 LEU 21 -34.116 -21.155 38.534 36 HD12 LEU 21 HD12 LEU 21 -34.279 -20.250 40.038 37 HD13 LEU 21 HD13 LEU 21 -32.807 -21.165 39.715 38 HD21 LEU 21 HD21 LEU 21 -34.944 -19.087 37.806 39 HD22 LEU 21 HD22 LEU 21 -33.662 -19.068 36.595 40 HD23 LEU 21 HD23 LEU 21 -33.903 -17.672 37.647 41 H ASP 22 H ASP 22 -30.840 -15.813 37.635 42 HA ASP 22 HA ASP 22 -32.336 -13.675 38.729 43 HB2 ASP 22 HB1 ASP 22 -30.693 -13.386 40.387 44 HB3 ASP 22 HB2 ASP 22 -29.374 -13.712 39.253 45 HD2 ASP 22 HD ASP 22 -29.210 -10.427 38.250 46 H PHE 23 H PHE 23 -29.198 -13.863 37.044 47 HA PHE 23 HA PHE 23 -28.587 -13.315 34.917 48 HB2 PHE 23 HB1 PHE 23 -31.490 -12.965 34.182 49 HB3 PHE 23 HB2 PHE 23 -30.143 -13.451 33.150 50 HD1 PHE 23 HD1 PHE 23 -28.914 -15.678 33.980 51 HD2 PHE 23 HD2 PHE 23 -32.955 -14.626 34.802 52 HE1 PHE 23 HE1 PHE 23 -29.452 -18.051 34.351 53 HE2 PHE 23 HE2 PHE 23 -33.500 -16.995 35.177 54 HZ PHE 23 HZ PHE 23 -31.747 -18.711 34.952 55 H ASN 24 H ASN 24 -31.595 -11.447 35.317 56 HA ASN 24 HA ASN 24 -32.011 -9.211 35.317 57 HB2 ASN 24 HB1 ASN 24 -30.336 -9.354 37.232 58 HB3 ASN 24 HB2 ASN 24 -29.118 -8.805 36.074 59 HD21 ASN 24 HD21 ASN 24 -31.931 -7.922 37.895 60 HD22 ASN 24 HD22 ASN 24 -31.824 -6.219 37.625 61 H ASN 25 H ASN 25 -31.443 -7.137 34.221 62 HA ASN 25 HA ASN 25 -29.647 -7.452 31.936 63 HB2 ASN 25 HB1 ASN 25 -32.592 -7.278 31.828 64 HB3 ASN 25 HB2 ASN 25 -31.741 -6.179 30.737 65 HD21 ASN 25 HD21 ASN 25 -30.228 -7.080 29.227 66 HD22 ASN 25 HD22 ASN 25 -30.447 -8.693 28.649 67 H ILE 26 H ILE 26 -28.533 -5.647 31.485 68 HA ILE 26 HA ILE 26 -29.424 -3.137 32.750 69 HB ILE 26 HB ILE 26 -27.002 -2.504 32.832 70 HG12 ILE 26 HG11 ILE 26 -26.282 -5.391 32.648 71 HG13 ILE 26 HG12 ILE 26 -26.545 -4.513 31.132 72 HG21 ILE 26 HG21 ILE 26 -27.691 -4.986 34.398 73 HG22 ILE 26 HG22 ILE 26 -26.539 -3.731 34.851 74 HG23 ILE 26 HG23 ILE 26 -28.263 -3.364 34.785 75 HD11 ILE 26 HD11 ILE 26 -24.910 -2.777 32.102 76 HD12 ILE 26 HD12 ILE 26 -24.445 -4.072 33.206 77 HD13 ILE 26 HD13 ILE 26 -24.272 -4.293 31.464 78 H ARG 27 H ARG 27 -30.321 -3.759 30.226 79 HA ARG 27 HA ARG 27 -30.523 -2.883 28.137 80 HB2 ARG 27 HB1 ARG 27 -29.281 -0.776 29.739 81 HB3 ARG 27 HB2 ARG 27 -28.892 -0.653 28.017 82 HG2 ARG 27 HG1 ARG 27 -30.804 0.641 28.206 83 HG3 ARG 27 HG2 ARG 27 -31.426 -0.919 27.644 84 HD2 ARG 27 HD1 ARG 27 -31.692 -1.445 30.186 85 HD3 ARG 27 HD2 ARG 27 -31.598 0.313 30.364 86 HE ARG 27 HE ARG 27 -33.487 -0.220 28.391 87 HH11 ARG 27 HH11 ARG 27 -33.041 -0.773 31.799 88 HH12 ARG 27 HH12 ARG 27 -34.736 -0.762 32.155 89 HH21 ARG 27 HH21 ARG 27 -35.722 -0.203 28.848 90 HH22 ARG 27 HH22 ARG 27 -36.261 -0.438 30.477 91 H SER 28 H SER 28 -29.258 -2.303 26.130 92 HA SER 28 HA SER 28 -26.468 -2.920 26.043 93 HB2 SER 28 HB1 SER 28 -27.677 -5.191 26.282 94 HB3 SER 28 HB2 SER 28 -28.223 -4.913 24.620 95 HG SER 28 HG SER 28 -25.859 -5.823 25.448 96 H SER 29 H SER 29 -27.197 -0.688 25.164 97 HA SER 29 HA SER 29 -27.317 -0.936 22.245 98 HB2 SER 29 HB1 SER 29 -29.559 -0.368 22.665 99 HB3 SER 29 HB2 SER 29 -29.122 0.727 23.987 100 HG SER 29 HG SER 29 -29.255 2.214 22.507 101 H ALA 30 H ALA 30 -25.620 0.044 21.389 102 HA ALA 30 HA ALA 30 -24.787 2.656 22.307 103 HB1 ALA 30 HB1 ALA 30 -22.357 1.786 22.474 104 HB2 ALA 30 HB2 ALA 30 -23.445 1.556 23.844 105 HB3 ALA 30 HB3 ALA 30 -23.113 0.215 22.748 106 H ASP 31 H ASP 31 -25.792 2.561 19.997 107 HA ASP 31 HA ASP 31 -23.664 2.048 18.030 108 HB2 ASP 31 HB1 ASP 31 -26.068 0.984 17.902 109 HB3 ASP 31 HB2 ASP 31 -26.505 2.565 17.241 110 HD2 ASP 31 HD ASP 31 -24.724 1.990 14.300 111 H LEU 32 H LEU 32 -26.415 4.289 18.416 112 HA LEU 32 HA LEU 32 -26.623 6.523 18.044 113 HB2 LEU 32 HB1 LEU 32 -24.331 6.238 19.480 114 HB3 LEU 32 HB2 LEU 32 -23.735 7.073 18.036 115 HG LEU 32 HG LEU 32 -25.549 8.806 18.475 116 HD11 LEU 32 HD11 LEU 32 -26.920 7.523 19.999 117 HD12 LEU 32 HD12 LEU 32 -26.305 8.962 20.810 118 HD13 LEU 32 HD13 LEU 32 -25.579 7.389 21.136 119 HD21 LEU 32 HD21 LEU 32 -24.100 10.077 19.754 120 HD22 LEU 32 HD22 LEU 32 -23.020 8.878 19.044 121 HD23 LEU 32 HD23 LEU 32 -23.567 8.696 20.712 122 H HIS 33 H HIS 33 -25.788 8.363 16.560 123 HA HIS 33 HA HIS 33 -24.628 7.340 14.082 124 HB2 HIS 33 HB1 HIS 33 -26.395 8.231 12.694 125 HB3 HIS 33 HB2 HIS 33 -27.091 7.105 13.865 126 HD1 HIS 33 HD1 HIS 33 -28.653 8.057 15.678 127 HD2 HIS 33 HD2 HIS 33 -27.165 10.920 13.059 128 HE1 HIS 33 HE1 HIS 33 -30.025 10.124 16.091 129 HE2 HIS 33 HE2 HIS 33 -29.117 11.874 14.490 130 H GLY 34 H GLY 34 -24.805 9.439 12.447 131 HA2 GLY 34 HA2 GLY 34 -24.481 11.819 12.328 132 HA3 GLY 34 HA3 GLY 34 -23.877 11.778 13.978 133 HA1 GLY 34 HA1 GLY 34 -24.169 11.062 11.997 134 H ALA 35 H ALA 35 -23.113 11.270 10.623 135 HA ALA 35 HA ALA 35 -20.281 11.518 11.257 136 HB1 ALA 35 HB1 ALA 35 -20.170 9.573 9.334 137 HB2 ALA 35 HB2 ALA 35 -19.947 9.315 11.064 138 HB3 ALA 35 HB3 ALA 35 -21.527 9.047 10.329 139 H ARG 36 H ARG 36 -19.331 12.885 9.894 140 HA ARG 36 HA ARG 36 -20.794 14.005 7.707 141 HB2 ARG 36 HB1 ARG 36 -18.872 14.967 9.337 142 HB3 ARG 36 HB2 ARG 36 -17.891 14.541 7.926 143 HG2 ARG 36 HG1 ARG 36 -18.404 16.645 7.299 144 HG3 ARG 36 HG2 ARG 36 -19.864 15.848 6.686 145 HD2 ARG 36 HD1 ARG 36 -20.629 16.316 9.236 146 HD3 ARG 36 HD2 ARG 36 -19.522 17.671 8.981 147 HE ARG 36 HE ARG 36 -21.352 17.403 6.818 148 HH11 ARG 36 HH11 ARG 36 -21.049 18.561 10.088 149 HH12 ARG 36 HH12 ARG 36 -22.305 19.744 9.922 150 HH21 ARG 36 HH21 ARG 36 -23.005 18.956 6.589 151 HH22 ARG 36 HH22 ARG 36 -23.417 19.967 7.932 152 H LYS 37 H LYS 37 -20.660 13.578 5.582 153 HA LYS 37 HA LYS 37 -18.646 11.610 4.711 154 HB2 LYS 37 HB1 LYS 37 -21.504 11.981 3.782 155 HB3 LYS 37 HB2 LYS 37 -20.331 10.920 2.987 156 HG2 LYS 37 HG1 LYS 37 -21.017 10.616 5.898 157 HG3 LYS 37 HG2 LYS 37 -21.974 9.853 4.615 158 HD2 LYS 37 HD1 LYS 37 -18.992 9.501 4.694 159 HD3 LYS 37 HD2 LYS 37 -20.047 8.515 5.723 160 HE2 LYS 37 HE1 LYS 37 -20.836 7.296 3.991 161 HE3 LYS 37 HE2 LYS 37 -20.885 8.700 2.912 162 HZ1 LYS 37 HZ1 LYS 37 -19.108 6.695 2.726 163 HZ2 LYS 37 HZ2 LYS 37 -18.220 7.836 3.606 164 HZ3 LYS 37 HZ3 LYS 37 -18.868 8.247 2.097 165 H GLY 38 H GLY 38 -17.574 13.906 4.512 166 HA2 GLY 38 HA2 GLY 38 -18.222 15.032 1.864 167 HA3 GLY 38 HA3 GLY 38 -17.388 15.897 3.146 168 HA1 GLY 38 HA1 GLY 38 -17.922 14.210 1.968 169 H SER 39 H SER 39 -15.658 13.619 3.787 170 HA SER 39 HA SER 39 -13.715 14.044 1.652 171 HB2 SER 39 HB1 SER 39 -13.181 14.360 4.131 172 HB3 SER 39 HB2 SER 39 -13.237 12.591 4.255 173 HG SER 39 HG SER 39 -11.681 12.745 2.366 174 H GLN 40 H GLN 40 -13.261 12.560 0.168 175 HA GLN 40 HA GLN 40 -14.677 10.160 -0.077 176 HB2 GLN 40 HB1 GLN 40 -12.882 11.648 -1.637 177 HB3 GLN 40 HB2 GLN 40 -12.143 10.048 -1.463 178 HG2 GLN 40 HG1 GLN 40 -15.016 10.048 -2.122 179 HG3 GLN 40 HG2 GLN 40 -13.935 10.691 -3.368 180 HE21 GLN 40 HE21 GLN 40 -15.412 7.977 -2.338 181 HE22 GLN 40 HE22 GLN 40 -14.347 6.785 -2.991 182 H CYS 41 H CYS 41 -11.272 10.683 0.839 183 HA CYS 41 HA CYS 41 -11.363 8.114 2.272 184 HB2 CYS 41 HB1 CYS 41 -9.142 7.556 1.552 185 HB3 CYS 41 HB2 CYS 41 -10.108 7.913 0.120 186 H LEU 42 H LEU 42 -10.202 8.002 4.188 187 HA LEU 42 HA LEU 42 -9.500 10.600 5.331 188 HB2 LEU 42 HB1 LEU 42 -10.871 8.358 6.304 189 HB3 LEU 42 HB2 LEU 42 -9.323 8.384 7.166 190 HG LEU 42 HG LEU 42 -9.905 10.859 7.660 191 HD11 LEU 42 HD11 LEU 42 -11.906 10.641 6.020 192 HD12 LEU 42 HD12 LEU 42 -12.104 11.546 7.520 193 HD13 LEU 42 HD13 LEU 42 -12.722 9.899 7.395 194 HD21 LEU 42 HD21 LEU 42 -10.144 8.546 9.070 195 HD22 LEU 42 HD22 LEU 42 -11.786 9.184 9.162 196 HD23 LEU 42 HD23 LEU 42 -10.428 10.158 9.726 197 H SER 43 H SER 43 -8.106 7.534 4.445 198 HA SER 43 HA SER 43 -5.447 8.629 4.809 199 HB2 SER 43 HB1 SER 43 -6.397 7.273 6.936 200 HB3 SER 43 HB2 SER 43 -5.760 5.920 5.985 201 HG SER 43 HG SER 43 -4.366 8.173 6.974 202 H ASP 44 H ASP 44 -3.774 6.905 4.097 203 HA ASP 44 HA ASP 44 -4.332 6.201 1.440 204 HB2 ASP 44 HB1 ASP 44 -2.189 4.886 1.583 205 HB3 ASP 44 HB2 ASP 44 -2.059 6.577 2.086 206 HD2 ASP 44 HD ASP 44 -1.698 3.789 4.889 207 H THR 45 H THR 45 -4.763 4.479 4.424 208 HA THR 45 HA THR 45 -4.854 1.847 3.489 209 HB THR 45 HB THR 45 -6.787 2.605 5.611 210 HG1 THR 45 HG1 THR 45 -3.979 2.732 6.066 211 HG21 THR 45 HG21 THR 45 -4.604 0.528 5.387 212 HG22 THR 45 HG22 THR 45 -6.330 0.266 5.135 213 HG23 THR 45 HG23 THR 45 -5.725 0.682 6.739 214 H ASP 46 H ASP 46 -7.125 4.446 3.187 215 HA ASP 46 HA ASP 46 -9.418 2.847 2.613 216 HB2 ASP 46 HB1 ASP 46 -8.840 5.608 2.966 217 HB3 ASP 46 HB2 ASP 46 -9.606 5.426 1.382 218 HD2 ASP 46 HD ASP 46 -12.673 5.059 2.829 219 H CYS 47 H CYS 47 -6.767 4.110 0.742 220 HA CYS 47 HA CYS 47 -7.982 3.749 -1.817 221 HB2 CYS 47 HB1 CYS 47 -5.452 4.694 -0.759 222 HB3 CYS 47 HB2 CYS 47 -5.201 3.639 -2.150 223 H ASN 48 H ASN 48 -6.625 2.325 -3.450 224 HA ASN 48 HA ASN 48 -7.157 -0.363 -2.786 225 HB2 ASN 48 HB1 ASN 48 -6.003 1.102 -5.083 226 HB3 ASN 48 HB2 ASN 48 -5.492 -0.584 -4.925 227 HD21 ASN 48 HD21 ASN 48 -8.446 1.372 -4.758 228 HD22 ASN 48 HD22 ASN 48 -9.447 0.236 -5.589 229 H THR 49 H THR 49 -5.373 -2.090 -3.208 230 HA THR 49 HA THR 49 -3.492 -1.867 -1.095 231 HB THR 49 HB THR 49 -3.560 -3.925 -3.309 232 HG1 THR 49 HG1 THR 49 -5.051 -3.587 -0.961 233 HG21 THR 49 HG21 THR 49 -2.344 -5.342 -1.763 234 HG22 THR 49 HG22 THR 49 -2.383 -4.080 -0.532 235 HG23 THR 49 HG23 THR 49 -1.453 -3.841 -2.011 236 H ARG 50 H ARG 50 -1.306 -1.536 -1.111 237 HA ARG 50 HA ARG 50 0.712 -0.756 -1.810 238 HB2 ARG 50 HB1 ARG 50 -0.039 -2.729 -3.644 239 HB3 ARG 50 HB2 ARG 50 0.508 -1.369 -4.634 240 HG2 ARG 50 HG1 ARG 50 2.584 -2.085 -4.326 241 HG3 ARG 50 HG2 ARG 50 2.423 -1.574 -2.638 242 HD2 ARG 50 HD1 ARG 50 3.166 -3.867 -2.682 243 HD3 ARG 50 HD2 ARG 50 1.501 -3.808 -2.090 244 HE ARG 50 HE ARG 50 0.883 -5.082 -3.874 245 HH11 ARG 50 HH11 ARG 50 3.906 -3.524 -4.620 246 HH12 ARG 50 HH12 ARG 50 4.106 -4.345 -6.132 247 HH21 ARG 50 HH21 ARG 50 1.135 -6.169 -5.863 248 HH22 ARG 50 HH22 ARG 50 2.528 -5.848 -6.839 249 H LYS 51 H LYS 51 -1.736 0.891 -2.033 250 HA LYS 51 HA LYS 51 -0.587 2.989 -3.704 251 HB2 LYS 51 HB1 LYS 51 -3.480 2.117 -3.936 252 HB3 LYS 51 HB2 LYS 51 -2.733 3.486 -4.774 253 HG2 LYS 51 HG1 LYS 51 -1.102 1.683 -5.717 254 HG3 LYS 51 HG2 LYS 51 -2.399 0.563 -5.263 255 HD2 LYS 51 HD1 LYS 51 -3.968 2.142 -6.551 256 HD3 LYS 51 HD2 LYS 51 -2.484 2.826 -7.237 257 HE2 LYS 51 HE1 LYS 51 -2.871 1.235 -8.821 258 HE3 LYS 51 HE2 LYS 51 -1.959 0.252 -7.667 259 HZ1 LYS 51 HZ1 LYS 51 -4.614 0.162 -6.866 260 HZ2 LYS 51 HZ2 LYS 51 -3.699 -1.088 -7.545 261 HZ3 LYS 51 HZ3 LYS 51 -4.619 -0.076 -8.541 262 H PHE 52 H PHE 52 -0.911 5.022 -2.922 263 HA PHE 52 HA PHE 52 -2.359 5.204 -0.373 264 HB2 PHE 52 HB1 PHE 52 -0.986 7.216 0.058 265 HB3 PHE 52 HB2 PHE 52 -0.003 5.774 -0.205 266 HD1 PHE 52 HD1 PHE 52 1.548 5.628 -1.975 267 HD2 PHE 52 HD2 PHE 52 -1.175 8.893 -1.786 268 HE1 PHE 52 HE1 PHE 52 2.810 6.779 -3.746 269 HE2 PHE 52 HE2 PHE 52 0.081 10.049 -3.558 270 HZ PHE 52 HZ PHE 52 2.077 8.993 -4.541 271 H CYS 53 H CYS 53 -3.252 7.466 0.069 272 HA CYS 53 HA CYS 53 -4.926 8.199 -2.208 273 HB2 CYS 53 HB1 CYS 53 -5.421 7.894 0.521 274 HB3 CYS 53 HB2 CYS 53 -5.456 9.639 0.262 275 H LEU 54 H LEU 54 -4.257 9.787 -3.480 276 HA LEU 54 HA LEU 54 -2.527 11.881 -2.381 277 HB2 LEU 54 HB1 LEU 54 -1.764 10.657 -4.383 278 HB3 LEU 54 HB2 LEU 54 -3.199 11.232 -5.249 279 HG LEU 54 HG LEU 54 -2.150 13.593 -4.501 280 HD11 LEU 54 HD11 LEU 54 -0.226 12.412 -3.428 281 HD12 LEU 54 HD12 LEU 54 0.227 13.590 -4.660 282 HD13 LEU 54 HD13 LEU 54 0.258 11.867 -5.033 283 HD21 LEU 54 HD21 LEU 54 -1.667 13.895 -6.725 284 HD22 LEU 54 HD22 LEU 54 -2.733 12.493 -6.806 285 HD23 LEU 54 HD23 LEU 54 -0.985 12.279 -6.911 286 H GLN 55 H GLN 55 -3.116 13.982 -2.282 287 HA GLN 55 HA GLN 55 -5.674 14.771 -3.490 288 HB2 GLN 55 HB1 GLN 55 -6.132 16.121 -1.409 289 HB3 GLN 55 HB2 GLN 55 -6.253 14.364 -1.218 290 HG2 GLN 55 HG1 GLN 55 -3.589 15.428 -0.641 291 HG3 GLN 55 HG2 GLN 55 -4.861 16.044 0.420 292 HE21 GLN 55 HE21 GLN 55 -5.479 14.835 2.075 293 HE22 GLN 55 HE22 GLN 55 -5.084 13.169 2.308 294 HA PRO 56 HA PRO 56 -2.457 17.808 -4.676 295 HB2 PRO 56 HB1 PRO 56 -3.556 18.330 -7.131 296 HB3 PRO 56 HB2 PRO 56 -2.485 16.967 -6.815 297 HG2 PRO 56 HG1 PRO 56 -5.481 17.048 -6.906 298 HG3 PRO 56 HG2 PRO 56 -4.349 15.852 -7.641 299 HD2 PRO 56 HD1 PRO 56 -5.704 15.367 -5.341 300 HD3 PRO 56 HD2 PRO 56 -4.076 14.738 -5.642 301 H ARG 57 H ARG 57 -2.554 20.039 -4.704 302 HA ARG 57 HA ARG 57 -5.006 21.200 -3.706 303 HB2 ARG 57 HB1 ARG 57 -3.641 23.285 -3.537 304 HB3 ARG 57 HB2 ARG 57 -2.965 21.905 -2.659 305 HG2 ARG 57 HG1 ARG 57 -1.137 21.754 -3.990 306 HG3 ARG 57 HG2 ARG 57 -2.017 22.295 -5.429 307 HD2 ARG 57 HD1 ARG 57 -0.652 24.116 -5.044 308 HD3 ARG 57 HD2 ARG 57 -2.116 24.579 -4.166 309 HE ARG 57 HE ARG 57 -0.631 23.306 -2.286 310 HH11 ARG 57 HH11 ARG 57 -0.011 25.931 -4.487 311 HH12 ARG 57 HH12 ARG 57 1.125 26.713 -3.440 312 HH21 ARG 57 HH21 ARG 57 0.863 24.327 -0.898 313 HH22 ARG 57 HH22 ARG 57 1.623 25.799 -1.399 314 H ASP 58 H ASP 58 -3.261 21.045 -6.696 315 HA ASP 58 HA ASP 58 -4.799 23.212 -7.888 316 HB2 ASP 58 HB1 ASP 58 -2.245 22.231 -8.327 317 HB3 ASP 58 HB2 ASP 58 -3.164 21.611 -9.706 318 HD2 ASP 58 HD ASP 58 -3.998 25.155 -10.342 319 H GLU 59 H GLU 59 -4.833 19.773 -7.658 320 HA GLU 59 HA GLU 59 -7.031 19.681 -9.618 321 HB2 GLU 59 HB1 GLU 59 -4.603 18.311 -9.743 322 HB3 GLU 59 HB2 GLU 59 -5.766 17.110 -9.162 323 HG2 GLU 59 HG1 GLU 59 -6.642 16.861 -11.181 324 HG3 GLU 59 HG2 GLU 59 -6.892 18.606 -11.335 325 HE2 GLU 59 HE GLU 59 -3.332 17.394 -12.610 326 H LYS 60 H LYS 60 -8.206 17.387 -9.214 327 HA LYS 60 HA LYS 60 -9.305 17.633 -6.544 328 HB2 LYS 60 HB1 LYS 60 -11.091 16.272 -7.289 329 HB3 LYS 60 HB2 LYS 60 -10.693 17.336 -8.647 330 HG2 LYS 60 HG1 LYS 60 -9.108 15.178 -9.170 331 HG3 LYS 60 HG2 LYS 60 -10.531 14.425 -8.432 332 HD2 LYS 60 HD1 LYS 60 -11.916 15.877 -10.035 333 HD3 LYS 60 HD2 LYS 60 -10.388 16.143 -10.892 334 HE2 LYS 60 HE1 LYS 60 -10.127 13.643 -11.038 335 HE3 LYS 60 HE2 LYS 60 -11.768 13.511 -10.390 336 HZ1 LYS 60 HZ1 LYS 60 -11.187 15.104 -12.812 337 HZ2 LYS 60 HZ2 LYS 60 -12.675 14.496 -12.286 338 HZ3 LYS 60 HZ3 LYS 60 -11.500 13.443 -12.896 339 HA PRO 61 HA PRO 61 -7.211 14.254 -4.679 340 HB2 PRO 61 HB1 PRO 61 -9.138 13.315 -2.975 341 HB3 PRO 61 HB2 PRO 61 -8.273 14.832 -2.725 342 HG2 PRO 61 HG1 PRO 61 -10.972 14.361 -3.944 343 HG3 PRO 61 HG2 PRO 61 -10.468 15.599 -2.734 344 HD2 PRO 61 HD1 PRO 61 -10.788 16.170 -5.369 345 HD3 PRO 61 HD2 PRO 61 -9.565 16.961 -4.359 346 H PHE 62 H PHE 62 -6.777 12.207 -5.234 347 HA PHE 62 HA PHE 62 -8.877 10.332 -5.877 348 HB2 PHE 62 HB1 PHE 62 -7.921 9.783 -8.120 349 HB3 PHE 62 HB2 PHE 62 -8.678 11.375 -8.035 350 HD1 PHE 62 HD1 PHE 62 -5.359 9.717 -7.819 351 HD2 PHE 62 HD2 PHE 62 -7.526 13.272 -8.705 352 HE1 PHE 62 HE1 PHE 62 -3.295 10.762 -8.653 353 HE2 PHE 62 HE2 PHE 62 -5.466 14.323 -9.542 354 HZ PHE 62 HZ PHE 62 -3.346 13.068 -9.517 355 H CYS 63 H CYS 63 -7.720 8.217 -6.770 356 HA CYS 63 HA CYS 63 -5.707 7.578 -4.771 357 HB2 CYS 63 HB1 CYS 63 -7.824 6.176 -5.473 358 HB3 CYS 63 HB2 CYS 63 -6.756 5.589 -6.750 359 H ALA 64 H ALA 64 -3.605 7.270 -5.170 360 HA ALA 64 HA ALA 64 -2.731 7.040 -7.973 361 HB1 ALA 64 HB1 ALA 64 -2.263 9.288 -7.403 362 HB2 ALA 64 HB2 ALA 64 -1.607 8.829 -5.830 363 HB3 ALA 64 HB3 ALA 64 -0.729 8.424 -7.305 364 H THR 65 H THR 65 -0.615 6.054 -8.252 365 HA THR 65 HA THR 65 -0.159 3.976 -6.240 366 HB THR 65 HB THR 65 1.287 3.953 -8.844 367 HG1 THR 65 HG1 THR 65 -0.694 2.877 -9.692 368 HG21 THR 65 HG21 THR 65 0.096 1.494 -8.321 369 HG22 THR 65 HG22 THR 65 0.558 2.108 -6.733 370 HG23 THR 65 HG23 THR 65 1.771 1.942 -8.002 371 H CYS 66 H CYS 66 2.171 3.270 -5.984 372 HA CYS 66 HA CYS 66 3.679 5.357 -4.887 373 HB2 CYS 66 HB1 CYS 66 5.392 3.750 -4.488 374 HB3 CYS 66 HB2 CYS 66 3.849 2.913 -4.302 375 H ARG 67 H ARG 67 6.106 5.614 -5.543 376 HA ARG 67 HA ARG 67 6.136 6.288 -8.408 377 HB2 ARG 67 HB1 ARG 67 7.946 7.446 -6.289 378 HB3 ARG 67 HB2 ARG 67 7.627 8.071 -7.914 379 HG2 ARG 67 HG1 ARG 67 5.123 8.101 -6.863 380 HG3 ARG 67 HG2 ARG 67 6.112 8.427 -5.430 381 HD2 ARG 67 HD1 ARG 67 7.161 10.317 -6.495 382 HD3 ARG 67 HD2 ARG 67 6.371 9.929 -8.029 383 HE ARG 67 HE ARG 67 4.295 10.286 -6.315 384 HH11 ARG 67 HH11 ARG 67 7.067 12.199 -7.196 385 HH12 ARG 67 HH12 ARG 67 6.271 13.714 -6.925 386 HH21 ARG 67 HH21 ARG 67 3.236 12.274 -5.955 387 HH22 ARG 67 HH22 ARG 67 4.092 13.755 -6.218 388 H GLY 68 H GLY 68 8.203 6.108 -9.533 389 HA2 GLY 68 HA2 GLY 68 9.400 3.568 -9.116 390 HA3 GLY 68 HA3 GLY 68 9.927 4.781 -10.274 391 HA1 GLY 68 HA1 GLY 68 9.317 4.041 -8.377 392 H LEU 69 H LEU 69 12.037 3.770 -9.531 393 HA LEU 69 HA LEU 69 13.023 4.442 -6.938 394 HB2 LEU 69 HB1 LEU 69 14.292 3.435 -9.472 395 HB3 LEU 69 HB2 LEU 69 15.264 3.880 -8.059 396 HG LEU 69 HG LEU 69 13.153 1.724 -8.140 397 HD11 LEU 69 HD11 LEU 69 14.741 0.332 -8.808 398 HD12 LEU 69 HD12 LEU 69 15.782 0.828 -7.474 399 HD13 LEU 69 HD13 LEU 69 15.833 1.705 -9.003 400 HD21 LEU 69 HD21 LEU 69 13.213 2.678 -5.950 401 HD22 LEU 69 HD22 LEU 69 14.977 2.678 -5.938 402 HD23 LEU 69 HD23 LEU 69 14.094 1.150 -5.899 403 H ARG 70 H ARG 70 13.953 5.607 -10.183 404 HA ARG 70 HA ARG 70 15.571 7.707 -9.340 405 HB2 ARG 70 HB1 ARG 70 13.873 7.514 -11.840 406 HB3 ARG 70 HB2 ARG 70 15.192 8.667 -11.589 407 HG2 ARG 70 HG1 ARG 70 15.566 5.676 -11.510 408 HG3 ARG 70 HG2 ARG 70 15.778 6.663 -12.967 409 HD2 ARG 70 HD1 ARG 70 17.228 7.882 -10.823 410 HD3 ARG 70 HD2 ARG 70 17.643 6.162 -10.895 411 HE ARG 70 HE ARG 70 17.826 6.930 -13.477 412 HH11 ARG 70 HH11 ARG 70 19.148 8.200 -10.518 413 HH12 ARG 70 HH12 ARG 70 20.575 8.831 -11.273 414 HH21 ARG 70 HH21 ARG 70 19.700 7.756 -14.482 415 HH22 ARG 70 HH22 ARG 70 20.887 8.578 -13.528 416 H ARG 71 H ARG 71 12.126 7.437 -9.418 417 HA ARG 71 HA ARG 71 11.377 10.125 -9.519 418 HB2 ARG 71 HB1 ARG 71 10.152 7.588 -8.771 419 HB3 ARG 71 HB2 ARG 71 9.552 8.937 -7.795 420 HG2 ARG 71 HG1 ARG 71 8.162 8.529 -9.781 421 HG3 ARG 71 HG2 ARG 71 8.895 10.142 -9.782 422 HD2 ARG 71 HD1 ARG 71 10.659 9.348 -11.301 423 HD3 ARG 71 HD2 ARG 71 9.914 7.743 -11.300 424 HE ARG 71 HE ARG 71 9.069 10.029 -12.799 425 HH11 ARG 71 HH11 ARG 71 8.004 7.070 -11.305 426 HH12 ARG 71 HH12 ARG 71 6.635 6.882 -12.350 427 HH21 ARG 71 HH21 ARG 71 7.269 9.792 -14.182 428 HH22 ARG 71 HH22 ARG 71 6.219 8.430 -13.986 429 H ARG 72 H ARG 72 11.181 11.727 -8.021 430 HA ARG 72 HA ARG 72 12.805 11.514 -5.663 431 HB2 ARG 72 HB1 ARG 72 12.088 13.882 -5.279 432 HB3 ARG 72 HB2 ARG 72 12.846 13.593 -6.852 433 HG2 ARG 72 HG1 ARG 72 9.956 13.272 -6.951 434 HG3 ARG 72 HG2 ARG 72 10.452 14.882 -6.404 435 HD2 ARG 72 HD1 ARG 72 12.163 14.551 -8.470 436 HD3 ARG 72 HD2 ARG 72 10.792 13.585 -9.033 437 HE ARG 72 HE ARG 72 9.739 15.988 -8.163 438 HH11 ARG 72 HH11 ARG 72 11.992 14.904 -10.586 439 HH12 ARG 72 HH12 ARG 72 11.641 16.202 -11.679 440 HH21 ARG 72 HH21 ARG 72 9.269 17.702 -9.593 441 HH22 ARG 72 HH22 ARG 72 10.093 17.794 -11.113 442 H CYS 73 H CYS 73 12.063 12.059 -3.502 443 HA CYS 73 HA CYS 73 9.237 11.828 -2.930 444 HB2 CYS 73 HB1 CYS 73 9.558 9.900 -1.377 445 HB3 CYS 73 HB2 CYS 73 9.765 9.486 -3.080 446 H GLN 74 H GLN 74 8.805 12.035 -0.569 447 HA GLN 74 HA GLN 74 10.910 13.643 0.721 448 HB2 GLN 74 HB1 GLN 74 7.948 14.007 0.522 449 HB3 GLN 74 HB2 GLN 74 8.784 14.590 1.969 450 HG2 GLN 74 HG1 GLN 74 10.222 16.004 0.622 451 HG3 GLN 74 HG2 GLN 74 9.471 15.380 -0.852 452 HE21 GLN 74 HE21 GLN 74 7.369 16.000 -1.378 453 HE22 GLN 74 HE22 GLN 74 6.616 17.379 -0.659 454 H ARG 75 H ARG 75 8.640 11.048 1.045 455 HA ARG 75 HA ARG 75 9.684 10.525 3.747 456 HB2 ARG 75 HB1 ARG 75 6.833 10.383 2.773 457 HB3 ARG 75 HB2 ARG 75 7.380 9.494 4.201 458 HG2 ARG 75 HG1 ARG 75 7.233 11.297 5.486 459 HG3 ARG 75 HG2 ARG 75 8.203 12.247 4.349 460 HD2 ARG 75 HD1 ARG 75 5.875 12.131 2.981 461 HD3 ARG 75 HD2 ARG 75 5.272 12.056 4.643 462 HE ARG 75 HE ARG 75 7.078 14.132 4.609 463 HH11 ARG 75 HH11 ARG 75 4.131 13.321 2.944 464 HH12 ARG 75 HH12 ARG 75 3.653 14.970 2.716 465 HH21 ARG 75 HH21 ARG 75 6.461 16.307 4.314 466 HH22 ARG 75 HH22 ARG 75 4.979 16.668 3.494 467 H ASP 76 H ASP 76 9.040 8.156 4.380 468 HA ASP 76 HA ASP 76 10.230 6.460 2.377 469 HB2 ASP 76 HB1 ASP 76 10.925 6.080 4.628 470 HB3 ASP 76 HB2 ASP 76 9.253 5.958 5.188 471 HD2 ASP 76 HD ASP 76 10.364 2.851 2.994 472 H ALA 77 H ALA 77 7.140 6.439 4.157 473 HA ALA 77 HA ALA 77 5.941 4.307 2.852 474 HB1 ALA 77 HB1 ALA 77 3.853 5.127 3.662 475 HB2 ALA 77 HB2 ALA 77 5.077 5.492 4.879 476 HB3 ALA 77 HB3 ALA 77 4.489 6.766 3.809 477 H MET 78 H MET 78 6.482 7.558 1.757 478 HA MET 78 HA MET 78 4.557 7.806 -0.230 479 HB2 MET 78 HB1 MET 78 7.250 8.955 0.265 480 HB3 MET 78 HB2 MET 78 6.606 9.111 -1.376 481 HG2 MET 78 HG1 MET 78 4.454 9.943 -0.049 482 HG3 MET 78 HG2 MET 78 5.684 10.354 1.148 483 HE1 MET 78 HE1 MET 78 4.865 12.017 -2.932 484 HE2 MET 78 HE2 MET 78 6.278 10.969 -3.065 485 HE3 MET 78 HE3 MET 78 4.765 10.331 -2.420 486 H CYS 79 H CYS 79 7.409 5.844 -0.121 487 HA CYS 79 HA CYS 79 7.167 5.208 -2.975 488 HB2 CYS 79 HB1 CYS 79 9.394 5.760 -1.595 489 HB3 CYS 79 HB2 CYS 79 9.326 4.021 -1.305 490 H CYS 80 H CYS 80 7.168 2.987 -3.660 491 HA CYS 80 HA CYS 80 5.257 1.396 -2.463 492 HB2 CYS 80 HB1 CYS 80 7.262 1.077 -4.579 493 HB3 CYS 80 HB2 CYS 80 6.844 -0.438 -3.776 494 HA PRO 81 HA PRO 81 7.095 -0.757 0.887 495 HB2 PRO 81 HB1 PRO 81 6.038 -3.271 0.630 496 HB3 PRO 81 HB2 PRO 81 5.101 -1.868 1.146 497 HG2 PRO 81 HG1 PRO 81 5.333 -3.104 -1.577 498 HG3 PRO 81 HG2 PRO 81 3.860 -2.548 -0.699 499 HD2 PRO 81 HD1 PRO 81 5.036 -1.087 -2.661 500 HD3 PRO 81 HD2 PRO 81 4.237 -0.346 -1.264 501 H GLY 82 H GLY 82 9.198 -1.237 0.980 502 HA2 GLY 82 HA2 GLY 82 10.672 -3.274 0.767 503 HA3 GLY 82 HA3 GLY 82 10.264 -3.212 -0.941 504 HA1 GLY 82 HA1 GLY 82 10.628 -2.424 1.000 505 H THR 83 H THR 83 10.344 -0.153 -0.623 506 HA THR 83 HA THR 83 13.277 0.081 -0.816 507 HB THR 83 HB THR 83 12.943 1.926 -2.394 508 HG1 THR 83 HG1 THR 83 10.185 1.254 -2.441 509 HG21 THR 83 HG21 THR 83 11.296 0.142 -3.884 510 HG22 THR 83 HG22 THR 83 12.387 -0.813 -2.882 511 HG23 THR 83 HG23 THR 83 13.037 0.386 -3.999 512 H LEU 84 H LEU 84 13.960 2.484 -0.556 513 HA LEU 84 HA LEU 84 12.424 3.760 1.595 514 HB2 LEU 84 HB1 LEU 84 14.896 2.412 1.900 515 HB3 LEU 84 HB2 LEU 84 15.218 4.150 2.040 516 HG LEU 84 HG LEU 84 12.939 3.160 3.625 517 HD11 LEU 84 HD11 LEU 84 14.572 1.305 3.822 518 HD12 LEU 84 HD12 LEU 84 14.283 2.152 5.340 519 HD13 LEU 84 HD13 LEU 84 15.759 2.461 4.426 520 HD21 LEU 84 HD21 LEU 84 13.350 5.281 4.254 521 HD22 LEU 84 HD22 LEU 84 15.031 5.226 3.721 522 HD23 LEU 84 HD23 LEU 84 14.576 4.536 5.280 523 H CYS 85 H CYS 85 12.985 6.030 1.936 524 HA CYS 85 HA CYS 85 13.537 7.332 -0.606 525 HB2 CYS 85 HB1 CYS 85 11.607 7.905 1.018 526 HB3 CYS 85 HB2 CYS 85 12.843 8.737 1.963 527 H VAL 86 H VAL 86 15.708 7.307 -0.960 528 HA VAL 86 HA VAL 86 17.443 8.434 1.134 529 HB VAL 86 HB VAL 86 18.200 6.762 -1.267 530 HG11 VAL 86 HG11 VAL 86 20.440 6.721 -0.288 531 HG12 VAL 86 HG12 VAL 86 19.941 8.368 -0.678 532 HG13 VAL 86 HG13 VAL 86 19.902 7.807 0.994 533 HG21 VAL 86 HG21 VAL 86 18.949 5.516 1.133 534 HG22 VAL 86 HG22 VAL 86 17.287 6.059 1.362 535 HG23 VAL 86 HG23 VAL 86 17.693 5.010 0.004 536 H ASN 87 H ASN 87 18.571 10.266 0.782 537 HA ASN 87 HA ASN 87 19.121 12.268 -0.151 538 HB2 ASN 87 HB1 ASN 87 20.285 10.362 -1.649 539 HB3 ASN 87 HB2 ASN 87 19.267 11.113 -2.885 540 HD21 ASN 87 HD21 ASN 87 21.845 11.280 -3.339 541 HD22 ASN 87 HD22 ASN 87 22.460 12.863 -3.021 542 H ASP 88 H ASP 88 16.348 11.738 0.048 543 HA ASP 88 HA ASP 88 14.354 12.634 -0.583 544 HB2 ASP 88 HB1 ASP 88 16.110 14.628 -0.963 545 HB3 ASP 88 HB2 ASP 88 15.576 14.406 -2.633 546 HD2 ASP 88 HD ASP 88 12.478 15.776 -1.996 547 H VAL 89 H VAL 89 15.629 10.395 -2.072 548 HA VAL 89 HA VAL 89 13.778 10.404 -4.324 549 HB VAL 89 HB VAL 89 16.714 9.783 -4.680 550 HG11 VAL 89 HG11 VAL 89 14.457 9.727 -6.681 551 HG12 VAL 89 HG12 VAL 89 16.160 9.415 -7.021 552 HG13 VAL 89 HG13 VAL 89 15.250 8.313 -5.987 553 HG21 VAL 89 HG21 VAL 89 16.254 12.186 -4.546 554 HG22 VAL 89 HG22 VAL 89 16.748 11.711 -6.172 555 HG23 VAL 89 HG23 VAL 89 15.048 12.025 -5.822 556 H CYS 90 H CYS 90 13.034 8.386 -4.889 557 HA CYS 90 HA CYS 90 13.051 6.374 -2.959 558 HB2 CYS 90 HB1 CYS 90 12.207 6.537 -5.823 559 HB3 CYS 90 HB2 CYS 90 12.277 4.949 -5.057 560 H THR 91 H THR 91 14.180 4.496 -2.689 561 HA THR 91 HA THR 91 16.153 3.665 -4.643 562 HB THR 91 HB THR 91 17.003 4.509 -1.865 563 HG1 THR 91 HG1 THR 91 18.455 5.817 -3.405 564 HG21 THR 91 HG21 THR 91 18.602 3.273 -4.110 565 HG22 THR 91 HG22 THR 91 18.172 2.490 -2.590 566 HG23 THR 91 HG23 THR 91 19.261 3.876 -2.592 567 H THR 92 H THR 92 16.458 1.511 -4.608 568 HA THR 92 HA THR 92 14.790 -0.138 -3.049 569 HB THR 92 HB THR 92 16.826 -1.807 -3.929 570 HG1 THR 92 HG1 THR 92 17.379 -1.047 -5.965 571 HG21 THR 92 HG21 THR 92 15.261 -2.464 -5.645 572 HG22 THR 92 HG22 THR 92 14.399 -0.933 -5.498 573 HG23 THR 92 HG23 THR 92 14.369 -2.094 -4.171 574 H MET 93 H MET 93 15.146 -1.362 -1.248 575 HA MET 93 HA MET 93 16.919 -0.485 0.696 576 HB2 MET 93 HB1 MET 93 14.904 -2.455 0.471 577 HB3 MET 93 HB2 MET 93 16.343 -3.269 1.106 578 HG2 MET 93 HG1 MET 93 15.987 -0.769 2.466 579 HG3 MET 93 HG2 MET 93 14.484 -1.695 2.504 580 HE1 MET 93 HE1 MET 93 17.695 -1.654 5.168 581 HE2 MET 93 HE2 MET 93 16.452 -0.585 4.520 582 HE3 MET 93 HE3 MET 93 16.052 -1.722 5.807 583 H GLU 94 H GLU 94 17.258 -3.131 -1.625 584 HA GLU 94 HA GLU 94 19.573 -4.312 -0.664 585 HB2 GLU 94 HB1 GLU 94 18.313 -4.055 -3.356 586 HB3 GLU 94 HB2 GLU 94 19.974 -4.662 -3.269 587 HG2 GLU 94 HG1 GLU 94 19.371 -6.571 -2.101 588 HG3 GLU 94 HG2 GLU 94 17.844 -5.865 -1.556 589 HE2 GLU 94 HE GLU 94 16.686 -6.346 -5.015 590 H ASP 95 H ASP 95 19.161 -1.362 -2.505 591 HA ASP 95 HA ASP 95 21.997 -1.033 -2.960 592 HB2 ASP 95 HB1 ASP 95 19.880 -0.170 -4.352 593 HB3 ASP 95 HB2 ASP 95 20.113 1.242 -3.315 594 HD2 ASP 95 HD ASP 95 23.328 0.451 -5.482 595 H ALA 96 H ALA 96 19.525 0.278 -0.818 596 HA ALA 96 HA ALA 96 21.224 2.241 0.373 597 HB1 ALA 96 HB1 ALA 96 18.534 1.819 0.344 598 HB2 ALA 96 HB2 ALA 96 18.959 1.309 1.979 599 HB3 ALA 96 HB3 ALA 96 19.371 2.933 1.427 600 H THR 97 H THR 97 22.814 1.890 1.762 601 HA THR 97 HA THR 97 22.828 -0.621 3.296 602 HB THR 97 HB THR 97 24.775 -0.373 1.866 603 HG1 THR 97 HG1 THR 97 25.936 -1.172 3.439 604 HG21 THR 97 HG21 THR 97 26.392 1.470 2.278 605 HG22 THR 97 HG22 THR 97 25.202 2.231 3.334 606 HG23 THR 97 HG23 THR 97 24.856 2.026 1.617 607 H GLU 98 H GLU 98 22.972 2.859 3.551 608 HA GLU 98 HA GLU 98 22.799 4.279 5.321 609 HB2 GLU 98 HB1 GLU 98 21.278 1.950 6.020 610 HB3 GLU 98 HB2 GLU 98 22.072 2.584 7.471 611 HG2 GLU 98 HG1 GLU 98 20.990 4.649 7.323 612 HG3 GLU 98 HG2 GLU 98 20.538 4.383 5.634 613 HE2 GLU 98 HE GLU 98 17.976 2.109 6.720 614 H ASN 99 H ASN 99 23.445 4.367 7.847 615 HA ASN 99 HA ASN 99 26.274 3.914 7.861 616 HB2 ASN 99 HB1 ASN 99 24.757 5.806 8.987 617 HB3 ASN 99 HB2 ASN 99 24.851 4.693 10.357 618 HD21 ASN 99 HD21 ASN 99 26.324 7.241 8.851 619 HD22 ASN 99 HD22 ASN 99 27.890 7.121 9.570 620 H LEU 100 H LEU 100 26.974 1.880 8.103 621 HA LEU 100 HA LEU 100 25.993 0.374 10.432 622 HB2 LEU 100 HB1 LEU 100 25.909 -0.360 7.626 623 HB3 LEU 100 HB2 LEU 100 26.833 -1.529 8.584 624 HG LEU 100 HG LEU 100 24.551 -1.168 10.087 625 HD11 LEU 100 HD11 LEU 100 22.701 -1.484 8.495 626 HD12 LEU 100 HD12 LEU 100 23.815 -1.174 7.163 627 HD13 LEU 100 HD13 LEU 100 23.466 0.097 8.335 628 HD21 LEU 100 HD21 LEU 100 24.267 -3.404 9.751 629 HD22 LEU 100 HD22 LEU 100 25.923 -3.235 9.170 630 HD23 LEU 100 HD23 LEU 100 24.587 -3.301 8.019 631 H TYR 101 H TYR 101 27.578 -1.600 10.768 632 HA TYR 101 HA TYR 101 30.317 -1.157 10.086 633 HB2 TYR 101 HB1 TYR 101 29.455 0.415 12.155 634 HB3 TYR 101 HB2 TYR 101 30.057 -1.005 13.015 635 HD1 TYR 101 HD1 TYR 101 31.146 1.235 10.222 636 HD2 TYR 101 HD2 TYR 101 32.270 -1.012 13.656 637 HE1 TYR 101 HE1 TYR 101 33.455 2.050 9.992 638 HE2 TYR 101 HE2 TYR 101 34.582 -0.202 13.436 639 HH TYR 101 HH TYR 101 35.728 1.354 10.658 640 H PHE 102 H PHE 102 31.753 -2.762 11.089 641 HA PHE 102 HA PHE 102 30.273 -5.153 11.970 642 HB2 PHE 102 HB1 PHE 102 31.749 -6.555 10.727 643 HB3 PHE 102 HB2 PHE 102 31.209 -5.279 9.634 644 HD1 PHE 102 HD1 PHE 102 32.728 -3.321 9.186 645 HD2 PHE 102 HD2 PHE 102 34.043 -6.859 11.152 646 HE1 PHE 102 HE1 PHE 102 35.062 -2.731 8.679 647 HE2 PHE 102 HE2 PHE 102 36.379 -6.275 10.650 648 HZ PHE 102 HZ PHE 102 36.892 -4.208 9.412 649 H GLN 103 H GLN 103 31.515 -6.667 13.291 650 HA GLN 103 HA GLN 103 33.627 -5.324 14.846 651 HB2 GLN 103 HB1 GLN 103 31.077 -6.280 15.715 652 HB3 GLN 103 HB2 GLN 103 32.337 -7.278 16.459 653 HG2 GLN 103 HG1 GLN 103 33.275 -4.677 16.738 654 HG3 GLN 103 HG2 GLN 103 31.538 -4.570 17.056 655 HE21 GLN 103 HE21 GLN 103 34.152 -4.579 18.700 656 HE22 GLN 103 HE22 GLN 103 33.773 -5.622 20.025 657 H SER 104 H SER 104 35.507 -6.348 14.815 658 HA SER 104 HA SER 104 35.752 -8.955 13.645 659 HB2 SER 104 HB1 SER 104 37.434 -7.118 13.339 660 HB3 SER 104 HB2 SER 104 37.887 -7.325 15.041 661 HG SER 104 HG SER 104 39.279 -8.594 13.926 662 H LEU 105 H LEU 105 36.071 -10.882 14.614 663 HA LEU 105 HA LEU 105 35.328 -11.229 17.311 664 HB2 LEU 105 HB1 LEU 105 36.066 -12.896 15.050 665 HB3 LEU 105 HB2 LEU 105 36.709 -13.526 16.578 666 HG LEU 105 HG LEU 105 34.185 -13.112 17.342 667 HD11 LEU 105 HD11 LEU 105 33.594 -14.124 14.635 668 HD12 LEU 105 HD12 LEU 105 33.903 -12.394 14.774 669 HD13 LEU 105 HD13 LEU 105 32.615 -13.139 15.721 670 HD21 LEU 105 HD21 LEU 105 35.432 -15.212 17.485 671 HD22 LEU 105 HD22 LEU 105 35.130 -15.509 15.773 672 HD23 LEU 105 HD23 LEU 105 33.785 -15.475 16.914 673 H GLU 106 H GLU 106 36.768 -12.618 18.818 674 HA GLU 106 HA GLU 106 39.585 -11.912 18.702 675 HB2 GLU 106 HB1 GLU 106 37.822 -11.094 21.023 676 HB3 GLU 106 HB2 GLU 106 39.584 -10.940 20.962 677 HG2 GLU 106 HG1 GLU 106 39.292 -9.454 18.954 678 HG3 GLU 106 HG2 GLU 106 37.558 -9.469 19.303 679 HE2 GLU 106 HE GLU 106 38.682 -7.916 22.524 680 H HIS 107 H HIS 107 40.882 -13.073 20.257 681 HA HIS 107 HA HIS 107 39.710 -15.091 21.914 682 HB2 HIS 107 HB1 HIS 107 40.808 -17.007 20.693 683 HB3 HIS 107 HB2 HIS 107 39.399 -16.308 19.889 684 HD1 HIS 107 HD1 HIS 107 39.952 -14.610 17.866 685 HD2 HIS 107 HD2 HIS 107 43.068 -17.044 19.143 686 HE1 HIS 107 HE1 HIS 107 41.650 -14.559 16.011 687 HE2 HIS 107 HE2 HIS 107 43.554 -16.045 16.789 688 H HIS 108 H HIS 108 41.188 -16.011 23.334 689 HA HIS 108 HA HIS 108 43.452 -14.507 23.974 690 HB2 HIS 108 HB1 HIS 108 44.024 -16.343 25.524 691 HB3 HIS 108 HB2 HIS 108 42.323 -15.882 25.632 692 HD1 HIS 108 HD1 HIS 108 40.614 -17.677 25.280 693 HD2 HIS 108 HD2 HIS 108 44.416 -18.845 24.079 694 HE1 HIS 108 HE1 HIS 108 40.426 -20.127 24.744 695 HE2 HIS 108 HE2 HIS 108 42.749 -20.842 24.008 696 H HIS 109 H HIS 109 45.709 -15.287 24.082 697 HA HIS 109 HA HIS 109 46.407 -16.997 21.790 698 HB2 HIS 109 HB1 HIS 109 47.717 -14.397 22.625 699 HB3 HIS 109 HB2 HIS 109 48.386 -15.506 21.421 700 HD1 HIS 109 HD1 HIS 109 46.460 -12.540 21.582 701 HD2 HIS 109 HD2 HIS 109 46.306 -15.972 19.245 702 HE1 HIS 109 HE1 HIS 109 45.132 -11.907 19.542 703 HE2 HIS 109 HE2 HIS 109 45.039 -14.004 18.112 704 H HIS 110 H HIS 110 48.810 -17.646 21.929 705 HA HIS 110 HA HIS 110 50.011 -17.784 24.513 706 HB2 HIS 110 HB1 HIS 110 49.893 -20.319 24.640 707 HB3 HIS 110 HB2 HIS 110 48.409 -19.449 25.038 708 HD1 HIS 110 HD1 HIS 110 46.595 -20.976 24.293 709 HD2 HIS 110 HD2 HIS 110 49.561 -20.548 21.414 710 HE1 HIS 110 HE1 HIS 110 45.748 -22.202 22.267 711 HE2 HIS 110 HE2 HIS 110 47.560 -21.941 20.508 712 H HIS 111 H HIS 111 50.878 -16.929 21.998 713 HA HIS 111 HA HIS 111 53.294 -18.444 21.751 714 HB2 HIS 111 HB1 HIS 111 51.241 -19.399 20.214 715 HB3 HIS 111 HB2 HIS 111 52.014 -18.263 19.105 716 HD1 HIS 111 HD1 HIS 111 52.043 -21.565 19.201 717 HD2 HIS 111 HD2 HIS 111 55.153 -18.901 19.904 718 HE1 HIS 111 HE1 HIS 111 54.154 -22.866 18.772 719 HE2 HIS 111 HE2 HIS 111 56.055 -21.237 19.202 720 H HIS 112 H HIS 112 52.368 -15.709 22.298 721 HA HIS 112 HA HIS 112 53.361 -14.205 20.000 722 HB2 HIS 112 HB1 HIS 112 51.306 -13.676 21.665 723 HB3 HIS 112 HB2 HIS 112 52.593 -12.799 22.499 724 HD1 HIS 112 HD1 HIS 112 50.672 -12.808 19.275 725 HD2 HIS 112 HD2 HIS 112 53.476 -10.475 21.262 726 HE1 HIS 112 HE1 HIS 112 50.781 -10.648 17.990 727 HE2 HIS 112 HE2 HIS 112 52.494 -9.222 19.203 Start of MODEL 57 1 H1 MET 18 H MET 18 -28.167 -14.853 -7.820 2 HA MET 18 HA MET 18 -30.143 -14.912 -8.956 3 HB2 MET 18 HB1 MET 18 -31.227 -16.159 -6.418 4 HB3 MET 18 HB2 MET 18 -32.080 -16.075 -7.965 5 HG2 MET 18 HG1 MET 18 -31.028 -17.861 -8.781 6 HG3 MET 18 HG2 MET 18 -29.456 -17.277 -8.225 7 HE1 MET 18 HE1 MET 18 -29.845 -20.132 -8.399 8 HE2 MET 18 HE2 MET 18 -28.481 -19.758 -7.345 9 HE3 MET 18 HE3 MET 18 -29.696 -20.932 -6.834 10 H LEU 19 H LEU 19 -29.745 -12.531 -8.535 11 HA LEU 19 HA LEU 19 -31.181 -11.132 -6.558 12 HB2 LEU 19 HB1 LEU 19 -29.328 -10.488 -8.475 13 HB3 LEU 19 HB2 LEU 19 -30.799 -9.716 -9.091 14 HG LEU 19 HG LEU 19 -29.582 -8.099 -7.827 15 HD11 LEU 19 HD11 LEU 19 -32.171 -8.554 -7.473 16 HD12 LEU 19 HD12 LEU 19 -31.311 -7.287 -6.599 17 HD13 LEU 19 HD13 LEU 19 -31.632 -8.833 -5.816 18 HD21 LEU 19 HD21 LEU 19 -28.867 -8.402 -5.573 19 HD22 LEU 19 HD22 LEU 19 -28.279 -9.777 -6.506 20 HD23 LEU 19 HD23 LEU 19 -29.688 -9.959 -5.459 21 H VAL 20 H VAL 20 -33.319 -11.441 -6.353 22 HA VAL 20 HA VAL 20 -35.104 -11.962 -8.474 23 HB VAL 20 HB VAL 20 -35.575 -12.548 -6.117 24 HG11 VAL 20 HG11 VAL 20 -36.024 -11.005 -4.459 25 HG12 VAL 20 HG12 VAL 20 -34.725 -10.208 -5.349 26 HG13 VAL 20 HG13 VAL 20 -36.401 -9.722 -5.609 27 HG21 VAL 20 HG21 VAL 20 -37.801 -12.519 -6.476 28 HG22 VAL 20 HG22 VAL 20 -37.840 -10.779 -6.763 29 HG23 VAL 20 HG23 VAL 20 -37.335 -11.872 -8.050 30 H LEU 21 H LEU 21 -36.380 -10.666 -9.697 31 HA LEU 21 HA LEU 21 -35.671 -7.887 -9.877 32 HB2 LEU 21 HB1 LEU 21 -36.508 -9.736 -11.679 33 HB3 LEU 21 HB2 LEU 21 -38.013 -8.851 -11.375 34 HG LEU 21 HG LEU 21 -35.433 -7.579 -12.285 35 HD11 LEU 21 HD11 LEU 21 -36.685 -7.307 -14.441 36 HD12 LEU 21 HD12 LEU 21 -37.871 -8.453 -13.818 37 HD13 LEU 21 HD13 LEU 21 -36.199 -8.959 -14.060 38 HD21 LEU 21 HD21 LEU 21 -36.833 -6.046 -11.048 39 HD22 LEU 21 HD22 LEU 21 -38.240 -6.509 -12.007 40 HD23 LEU 21 HD23 LEU 21 -36.898 -5.651 -12.766 41 H ASP 22 H ASP 22 -36.564 -6.317 -8.731 42 HA ASP 22 HA ASP 22 -39.312 -6.690 -7.731 43 HB2 ASP 22 HB1 ASP 22 -38.756 -5.333 -5.819 44 HB3 ASP 22 HB2 ASP 22 -37.545 -6.613 -5.970 45 HD2 ASP 22 HD ASP 22 -35.335 -4.018 -7.341 46 H PHE 23 H PHE 23 -39.918 -4.179 -6.919 47 HA PHE 23 HA PHE 23 -39.482 -2.403 -9.203 48 HB2 PHE 23 HB1 PHE 23 -41.821 -3.910 -8.911 49 HB3 PHE 23 HB2 PHE 23 -42.250 -2.299 -8.333 50 HD1 PHE 23 HD1 PHE 23 -40.647 -4.014 -11.215 51 HD2 PHE 23 HD2 PHE 23 -42.811 -0.623 -9.826 52 HE1 PHE 23 HE1 PHE 23 -40.897 -3.228 -13.533 53 HE2 PHE 23 HE2 PHE 23 -43.065 0.168 -12.142 54 HZ PHE 23 HZ PHE 23 -42.108 -1.135 -13.999 55 H ASN 24 H ASN 24 -40.581 -0.208 -8.738 56 HA ASN 24 HA ASN 24 -39.509 0.768 -6.289 57 HB2 ASN 24 HB1 ASN 24 -41.454 2.331 -7.968 58 HB3 ASN 24 HB2 ASN 24 -40.044 2.906 -7.069 59 HD21 ASN 24 HD21 ASN 24 -41.121 2.611 -10.050 60 HD22 ASN 24 HD22 ASN 24 -39.655 2.298 -10.909 61 H ASN 25 H ASN 25 -42.839 0.470 -7.514 62 HA ASN 25 HA ASN 25 -44.844 0.320 -6.452 63 HB2 ASN 25 HB1 ASN 25 -42.937 -1.022 -4.710 64 HB3 ASN 25 HB2 ASN 25 -44.283 -0.326 -3.799 65 HD21 ASN 25 HD21 ASN 25 -43.505 -2.428 -6.512 66 HD22 ASN 25 HD22 ASN 25 -44.940 -3.386 -6.417 67 H ILE 26 H ILE 26 -45.500 2.428 -6.470 68 HA ILE 26 HA ILE 26 -46.063 4.486 -5.679 69 HB ILE 26 HB ILE 26 -45.490 3.359 -2.940 70 HG12 ILE 26 HG11 ILE 26 -48.250 3.261 -3.462 71 HG13 ILE 26 HG12 ILE 26 -47.469 2.579 -4.898 72 HG21 ILE 26 HG21 ILE 26 -46.034 5.892 -3.520 73 HG22 ILE 26 HG22 ILE 26 -47.684 5.272 -3.501 74 HG23 ILE 26 HG23 ILE 26 -46.663 5.105 -2.072 75 HD11 ILE 26 HD11 ILE 26 -46.917 0.701 -3.846 76 HD12 ILE 26 HD12 ILE 26 -46.337 1.565 -2.422 77 HD13 ILE 26 HD13 ILE 26 -48.056 1.213 -2.600 78 H ARG 27 H ARG 27 -44.357 5.663 -6.522 79 HA ARG 27 HA ARG 27 -41.814 5.835 -5.237 80 HB2 ARG 27 HB1 ARG 27 -43.098 7.599 -7.336 81 HB3 ARG 27 HB2 ARG 27 -41.400 7.685 -6.837 82 HG2 ARG 27 HG1 ARG 27 -41.704 5.026 -7.478 83 HG3 ARG 27 HG2 ARG 27 -42.711 5.856 -8.677 84 HD2 ARG 27 HD1 ARG 27 -39.977 6.925 -8.120 85 HD3 ARG 27 HD2 ARG 27 -40.139 5.456 -9.091 86 HE ARG 27 HE ARG 27 -41.897 7.408 -10.087 87 HH11 ARG 27 HH11 ARG 27 -38.491 6.725 -9.861 88 HH12 ARG 27 HH12 ARG 27 -38.088 7.597 -11.303 89 HH21 ARG 27 HH21 ARG 27 -41.379 8.559 -11.988 90 HH22 ARG 27 HH22 ARG 27 -39.731 8.640 -12.511 91 H SER 28 H SER 28 -41.303 6.977 -3.500 92 HA SER 28 HA SER 28 -43.187 8.876 -2.398 93 HB2 SER 28 HB1 SER 28 -41.455 7.098 -1.255 94 HB3 SER 28 HB2 SER 28 -40.549 8.614 -1.105 95 HG SER 28 HG SER 28 -41.778 8.798 0.616 96 H SER 29 H SER 29 -41.690 10.750 -1.167 97 HA SER 29 HA SER 29 -40.449 12.203 -3.411 98 HB2 SER 29 HB1 SER 29 -42.078 13.208 -1.064 99 HB3 SER 29 HB2 SER 29 -41.121 14.278 -2.106 100 HG SER 29 HG SER 29 -42.790 14.266 -3.370 101 H ALA 30 H ALA 30 -38.368 11.397 -2.951 102 HA ALA 30 HA ALA 30 -37.070 11.343 -0.513 103 HB1 ALA 30 HB1 ALA 30 -35.758 12.054 -3.131 104 HB2 ALA 30 HB2 ALA 30 -35.012 11.290 -1.726 105 HB3 ALA 30 HB3 ALA 30 -36.218 10.414 -2.670 106 H ASP 31 H ASP 31 -36.624 13.915 -2.948 107 HA ASP 31 HA ASP 31 -36.167 16.135 -2.751 108 HB2 ASP 31 HB1 ASP 31 -38.310 15.831 -1.253 109 HB3 ASP 31 HB2 ASP 31 -37.177 16.152 0.068 110 HD2 ASP 31 HD ASP 31 -36.967 19.499 -0.712 111 H LEU 32 H LEU 32 -35.006 17.790 -1.245 112 HA LEU 32 HA LEU 32 -33.076 18.400 -0.211 113 HB2 LEU 32 HB1 LEU 32 -34.285 17.016 1.608 114 HB3 LEU 32 HB2 LEU 32 -33.084 15.770 1.226 115 HG LEU 32 HG LEU 32 -31.533 18.008 1.645 116 HD11 LEU 32 HD11 LEU 32 -33.734 19.032 2.509 117 HD12 LEU 32 HD12 LEU 32 -32.283 19.186 3.499 118 HD13 LEU 32 HD13 LEU 32 -33.500 17.976 3.902 119 HD21 LEU 32 HD21 LEU 32 -32.320 15.665 3.338 120 HD22 LEU 32 HD22 LEU 32 -31.193 16.880 3.942 121 HD23 LEU 32 HD23 LEU 32 -30.807 15.966 2.482 122 H HIS 33 H HIS 33 -32.523 17.628 -2.629 123 HA HIS 33 HA HIS 33 -30.519 15.508 -2.588 124 HB2 HIS 33 HB1 HIS 33 -32.219 16.748 -4.604 125 HB3 HIS 33 HB2 HIS 33 -30.539 16.620 -5.139 126 HD1 HIS 33 HD1 HIS 33 -33.408 14.829 -5.638 127 HD2 HIS 33 HD2 HIS 33 -29.682 13.709 -4.182 128 HE1 HIS 33 HE1 HIS 33 -33.265 12.345 -5.999 129 HE2 HIS 33 HE2 HIS 33 -30.988 11.659 -5.109 130 H GLY 34 H GLY 34 -28.841 16.444 -1.416 131 HA2 GLY 34 HA2 GLY 34 -27.653 18.887 -2.557 132 HA3 GLY 34 HA3 GLY 34 -27.374 18.290 -0.928 133 HA1 GLY 34 HA1 GLY 34 -27.712 18.140 -3.021 134 H ALA 35 H ALA 35 -25.427 19.018 -2.973 135 HA ALA 35 HA ALA 35 -23.731 16.717 -2.726 136 HB1 ALA 35 HB1 ALA 35 -24.678 17.538 -5.467 137 HB2 ALA 35 HB2 ALA 35 -23.319 16.456 -5.157 138 HB3 ALA 35 HB3 ALA 35 -24.948 15.989 -4.667 139 H ARG 36 H ARG 36 -22.712 18.516 -1.537 140 HA ARG 36 HA ARG 36 -20.894 19.974 -3.306 141 HB2 ARG 36 HB1 ARG 36 -22.947 21.157 -1.584 142 HB3 ARG 36 HB2 ARG 36 -21.326 21.796 -1.280 143 HG2 ARG 36 HG1 ARG 36 -21.173 22.815 -3.308 144 HG3 ARG 36 HG2 ARG 36 -22.200 21.609 -4.102 145 HD2 ARG 36 HD1 ARG 36 -24.025 22.680 -2.455 146 HD3 ARG 36 HD2 ARG 36 -22.947 24.071 -2.635 147 HE ARG 36 HE ARG 36 -23.427 23.100 -5.188 148 HH11 ARG 36 HH11 ARG 36 -25.253 24.472 -2.560 149 HH12 ARG 36 HH12 ARG 36 -26.453 25.178 -3.589 150 HH21 ARG 36 HH21 ARG 36 -25.001 24.026 -6.554 151 HH22 ARG 36 HH22 ARG 36 -26.309 24.924 -5.861 152 H LYS 37 H LYS 37 -18.851 20.258 -2.495 153 HA LYS 37 HA LYS 37 -17.020 19.882 -1.201 154 HB2 LYS 37 HB1 LYS 37 -18.337 21.344 0.370 155 HB3 LYS 37 HB2 LYS 37 -18.927 19.863 1.141 156 HG2 LYS 37 HG1 LYS 37 -16.117 19.635 1.017 157 HG3 LYS 37 HG2 LYS 37 -16.485 21.273 1.586 158 HD2 LYS 37 HD1 LYS 37 -18.019 19.014 2.779 159 HD3 LYS 37 HD2 LYS 37 -16.322 19.211 3.250 160 HE2 LYS 37 HE1 LYS 37 -17.720 21.755 3.267 161 HE3 LYS 37 HE2 LYS 37 -18.520 20.562 4.300 162 HZ1 LYS 37 HZ1 LYS 37 -16.760 20.451 5.707 163 HZ2 LYS 37 HZ2 LYS 37 -16.544 22.040 5.172 164 HZ3 LYS 37 HZ3 LYS 37 -15.613 20.792 4.512 165 H GLY 38 H GLY 38 -16.622 17.819 -2.039 166 HA2 GLY 38 HA2 GLY 38 -17.088 15.665 -0.107 167 HA3 GLY 38 HA3 GLY 38 -17.631 15.416 -1.759 168 HA1 GLY 38 HA1 GLY 38 -16.429 16.243 -0.212 169 H SER 39 H SER 39 -15.417 14.301 0.106 170 HA SER 39 HA SER 39 -13.097 14.754 -1.620 171 HB2 SER 39 HB1 SER 39 -13.292 13.244 1.005 172 HB3 SER 39 HB2 SER 39 -11.801 13.642 0.134 173 HG SER 39 HG SER 39 -12.222 15.141 1.806 174 H GLN 40 H GLN 40 -11.678 12.626 -1.755 175 HA GLN 40 HA GLN 40 -13.433 10.580 -2.929 176 HB2 GLN 40 HB1 GLN 40 -10.600 11.425 -3.524 177 HB3 GLN 40 HB2 GLN 40 -11.259 9.889 -4.108 178 HG2 GLN 40 HG1 GLN 40 -13.114 11.959 -4.743 179 HG3 GLN 40 HG2 GLN 40 -11.499 12.454 -5.264 180 HE21 GLN 40 HE21 GLN 40 -14.207 10.632 -6.018 181 HE22 GLN 40 HE22 GLN 40 -13.557 9.738 -7.346 182 H CYS 41 H CYS 41 -10.190 10.704 -1.438 183 HA CYS 41 HA CYS 41 -10.910 8.292 0.092 184 HB2 CYS 41 HB1 CYS 41 -8.526 7.574 -0.124 185 HB3 CYS 41 HB2 CYS 41 -9.421 7.564 -1.644 186 H LEU 42 H LEU 42 -9.999 8.097 2.161 187 HA LEU 42 HA LEU 42 -9.022 10.639 3.272 188 HB2 LEU 42 HB1 LEU 42 -10.901 8.596 4.194 189 HB3 LEU 42 HB2 LEU 42 -9.697 9.049 5.413 190 HG LEU 42 HG LEU 42 -10.521 11.497 4.585 191 HD11 LEU 42 HD11 LEU 42 -13.182 10.446 4.885 192 HD12 LEU 42 HD12 LEU 42 -12.397 9.763 3.462 193 HD13 LEU 42 HD13 LEU 42 -12.528 11.513 3.642 194 HD21 LEU 42 HD21 LEU 42 -12.116 10.079 6.671 195 HD22 LEU 42 HD22 LEU 42 -11.425 11.703 6.691 196 HD23 LEU 42 HD23 LEU 42 -10.381 10.296 6.902 197 H SER 43 H SER 43 -8.285 7.284 2.829 198 HA SER 43 HA SER 43 -5.626 7.743 3.950 199 HB2 SER 43 HB1 SER 43 -7.652 6.149 5.230 200 HB3 SER 43 HB2 SER 43 -6.323 5.101 4.701 201 HG SER 43 HG SER 43 -6.166 6.191 6.855 202 H ASP 44 H ASP 44 -4.035 6.213 3.220 203 HA ASP 44 HA ASP 44 -4.171 5.622 0.507 204 HB2 ASP 44 HB1 ASP 44 -2.418 4.129 2.463 205 HB3 ASP 44 HB2 ASP 44 -2.088 4.500 0.767 206 HD2 ASP 44 HD ASP 44 -1.100 7.132 3.474 207 H THR 45 H THR 45 -5.258 3.804 3.247 208 HA THR 45 HA THR 45 -5.424 1.277 1.905 209 HB THR 45 HB THR 45 -6.767 0.563 3.859 210 HG1 THR 45 HG1 THR 45 -7.292 2.019 5.441 211 HG21 THR 45 HG21 THR 45 -4.298 0.501 3.924 212 HG22 THR 45 HG22 THR 45 -5.005 0.773 5.517 213 HG23 THR 45 HG23 THR 45 -4.295 2.119 4.626 214 H ASP 46 H ASP 46 -7.448 4.069 2.182 215 HA ASP 46 HA ASP 46 -9.931 2.841 1.574 216 HB2 ASP 46 HB1 ASP 46 -8.957 5.480 2.093 217 HB3 ASP 46 HB2 ASP 46 -9.913 5.516 0.605 218 HD2 ASP 46 HD ASP 46 -12.761 4.338 2.450 219 H CYS 47 H CYS 47 -7.230 3.853 -0.345 220 HA CYS 47 HA CYS 47 -8.577 4.040 -2.840 221 HB2 CYS 47 HB1 CYS 47 -5.791 4.054 -1.878 222 HB3 CYS 47 HB2 CYS 47 -5.998 3.409 -3.507 223 H ASN 48 H ASN 48 -6.102 1.627 -1.997 224 HA ASN 48 HA ASN 48 -7.850 -0.545 -2.795 225 HB2 ASN 48 HB1 ASN 48 -7.023 0.054 -4.959 226 HB3 ASN 48 HB2 ASN 48 -5.369 0.195 -4.351 227 HD21 ASN 48 HD21 ASN 48 -4.527 -1.281 -5.782 228 HD22 ASN 48 HD22 ASN 48 -4.845 -2.975 -5.675 229 H THR 49 H THR 49 -4.315 -0.158 -2.600 230 HA THR 49 HA THR 49 -4.011 -1.243 -0.029 231 HB THR 49 HB THR 49 -2.830 -3.405 -1.289 232 HG1 THR 49 HG1 THR 49 -3.890 -3.488 -3.144 233 HG21 THR 49 HG21 THR 49 -3.834 -4.184 0.551 234 HG22 THR 49 HG22 THR 49 -5.295 -4.340 -0.424 235 HG23 THR 49 HG23 THR 49 -5.027 -2.885 0.536 236 H ARG 50 H ARG 50 -2.473 -1.468 -3.241 237 HA ARG 50 HA ARG 50 0.077 -0.696 -2.014 238 HB2 ARG 50 HB1 ARG 50 -0.400 -1.664 -4.839 239 HB3 ARG 50 HB2 ARG 50 1.148 -1.544 -3.986 240 HG2 ARG 50 HG1 ARG 50 0.942 -3.628 -3.270 241 HG3 ARG 50 HG2 ARG 50 -0.568 -3.199 -2.448 242 HD2 ARG 50 HD1 ARG 50 -1.875 -4.083 -4.075 243 HD3 ARG 50 HD2 ARG 50 -0.779 -3.563 -5.362 244 HE ARG 50 HE ARG 50 -0.842 -6.118 -4.111 245 HH11 ARG 50 HH11 ARG 50 1.288 -3.781 -5.567 246 HH12 ARG 50 HH12 ARG 50 2.466 -4.959 -6.044 247 HH21 ARG 50 HH21 ARG 50 0.701 -7.678 -4.735 248 HH22 ARG 50 HH22 ARG 50 2.130 -7.175 -5.572 249 H LYS 51 H LYS 51 -1.921 1.282 -2.301 250 HA LYS 51 HA LYS 51 -0.510 3.124 -4.080 251 HB2 LYS 51 HB1 LYS 51 -3.438 2.443 -4.200 252 HB3 LYS 51 HB2 LYS 51 -2.858 4.038 -4.705 253 HG2 LYS 51 HG1 LYS 51 -2.697 3.072 -6.725 254 HG3 LYS 51 HG2 LYS 51 -1.165 2.452 -6.082 255 HD2 LYS 51 HD1 LYS 51 -2.278 0.387 -5.370 256 HD3 LYS 51 HD2 LYS 51 -3.815 1.007 -5.998 257 HE2 LYS 51 HE1 LYS 51 -2.645 1.219 -8.257 258 HE3 LYS 51 HE2 LYS 51 -1.347 0.250 -7.542 259 HZ1 LYS 51 HZ1 LYS 51 -2.862 -1.170 -8.718 260 HZ2 LYS 51 HZ2 LYS 51 -4.182 -0.573 -7.848 261 HZ3 LYS 51 HZ3 LYS 51 -2.996 -1.488 -7.062 262 H PHE 52 H PHE 52 -0.716 5.326 -3.511 263 HA PHE 52 HA PHE 52 -1.561 5.721 -0.728 264 HB2 PHE 52 HB1 PHE 52 -0.154 7.803 -0.867 265 HB3 PHE 52 HB2 PHE 52 0.738 6.292 -1.047 266 HD1 PHE 52 HD1 PHE 52 2.099 5.912 -2.890 267 HD2 PHE 52 HD2 PHE 52 -0.795 9.030 -3.028 268 HE1 PHE 52 HE1 PHE 52 3.045 6.691 -5.025 269 HE2 PHE 52 HE2 PHE 52 0.145 9.814 -5.162 270 HZ PHE 52 HZ PHE 52 2.067 8.644 -6.163 271 H CYS 53 H CYS 53 -2.853 7.467 -0.127 272 HA CYS 53 HA CYS 53 -4.725 8.319 -2.151 273 HB2 CYS 53 HB1 CYS 53 -5.565 7.674 0.035 274 HB3 CYS 53 HB2 CYS 53 -4.567 8.903 0.812 275 H LEU 54 H LEU 54 -3.628 9.718 -3.506 276 HA LEU 54 HA LEU 54 -2.196 11.988 -2.440 277 HB2 LEU 54 HB1 LEU 54 -1.864 10.584 -4.681 278 HB3 LEU 54 HB2 LEU 54 -2.953 11.834 -5.306 279 HG LEU 54 HG LEU 54 -0.608 12.378 -5.729 280 HD11 LEU 54 HD11 LEU 54 -0.609 14.641 -4.698 281 HD12 LEU 54 HD12 LEU 54 -2.015 14.158 -3.750 282 HD13 LEU 54 HD13 LEU 54 -2.118 14.220 -5.509 283 HD21 LEU 54 HD21 LEU 54 1.014 12.210 -4.207 284 HD22 LEU 54 HD22 LEU 54 -0.152 11.320 -3.228 285 HD23 LEU 54 HD23 LEU 54 0.066 13.053 -2.981 286 H GLN 55 H GLN 55 -3.309 13.630 -1.613 287 HA GLN 55 HA GLN 55 -5.665 14.595 -3.094 288 HB2 GLN 55 HB1 GLN 55 -6.502 15.419 -0.847 289 HB3 GLN 55 HB2 GLN 55 -6.534 13.667 -1.096 290 HG2 GLN 55 HG1 GLN 55 -5.106 13.270 0.573 291 HG3 GLN 55 HG2 GLN 55 -4.056 14.616 0.108 292 HE21 GLN 55 HE21 GLN 55 -3.764 15.770 1.887 293 HE22 GLN 55 HE22 GLN 55 -5.016 16.364 2.919 294 HA PRO 56 HA PRO 56 -2.614 18.012 -3.081 295 HB2 PRO 56 HB1 PRO 56 -3.407 19.013 -5.504 296 HB3 PRO 56 HB2 PRO 56 -2.268 17.681 -5.328 297 HG2 PRO 56 HG1 PRO 56 -5.218 17.601 -5.864 298 HG3 PRO 56 HG2 PRO 56 -3.889 16.672 -6.656 299 HD2 PRO 56 HD1 PRO 56 -5.496 15.596 -4.752 300 HD3 PRO 56 HD2 PRO 56 -3.790 15.152 -4.927 301 H ARG 57 H ARG 57 -2.919 20.288 -2.932 302 HA ARG 57 HA ARG 57 -5.505 21.016 -1.867 303 HB2 ARG 57 HB1 ARG 57 -3.005 21.712 -1.154 304 HB3 ARG 57 HB2 ARG 57 -3.399 23.072 -2.215 305 HG2 ARG 57 HG1 ARG 57 -5.119 23.828 -0.855 306 HG3 ARG 57 HG2 ARG 57 -5.295 22.256 -0.056 307 HD2 ARG 57 HD1 ARG 57 -4.189 23.371 1.604 308 HD3 ARG 57 HD2 ARG 57 -2.804 22.763 0.688 309 HE ARG 57 HE ARG 57 -3.451 25.239 -0.386 310 HH11 ARG 57 HH11 ARG 57 -2.360 23.937 2.653 311 HH12 ARG 57 HH12 ARG 57 -1.507 25.374 3.111 312 HH21 ARG 57 HH21 ARG 57 -2.330 27.136 0.205 313 HH22 ARG 57 HH22 ARG 57 -1.491 27.192 1.718 314 H ASP 58 H ASP 58 -3.423 22.049 -4.549 315 HA ASP 58 HA ASP 58 -5.348 23.927 -5.549 316 HB2 ASP 58 HB1 ASP 58 -3.799 24.405 -7.262 317 HB3 ASP 58 HB2 ASP 58 -2.809 24.033 -5.845 318 HD2 ASP 58 HD ASP 58 -2.181 21.956 -9.012 319 H GLU 59 H GLU 59 -4.733 20.560 -5.955 320 HA GLU 59 HA GLU 59 -6.617 20.469 -8.217 321 HB2 GLU 59 HB1 GLU 59 -4.087 19.159 -7.740 322 HB3 GLU 59 HB2 GLU 59 -5.372 17.964 -7.978 323 HG2 GLU 59 HG1 GLU 59 -5.980 19.489 -10.033 324 HG3 GLU 59 HG2 GLU 59 -4.288 19.982 -9.871 325 HE2 GLU 59 HE GLU 59 -5.081 16.347 -11.198 326 H LYS 60 H LYS 60 -7.566 18.031 -8.242 327 HA LYS 60 HA LYS 60 -9.033 17.830 -5.721 328 HB2 LYS 60 HB1 LYS 60 -10.528 16.292 -7.044 329 HB3 LYS 60 HB2 LYS 60 -10.463 17.965 -7.621 330 HG2 LYS 60 HG1 LYS 60 -9.480 17.414 -9.581 331 HG3 LYS 60 HG2 LYS 60 -8.546 16.094 -8.854 332 HD2 LYS 60 HD1 LYS 60 -10.497 14.662 -8.809 333 HD3 LYS 60 HD2 LYS 60 -11.512 15.989 -9.398 334 HE2 LYS 60 HE1 LYS 60 -9.140 14.979 -10.964 335 HE3 LYS 60 HE2 LYS 60 -10.748 14.252 -11.105 336 HZ1 LYS 60 HZ1 LYS 60 -10.477 15.885 -12.811 337 HZ2 LYS 60 HZ2 LYS 60 -10.025 17.070 -11.694 338 HZ3 LYS 60 HZ3 LYS 60 -11.608 16.474 -11.699 339 HA PRO 61 HA PRO 61 -7.102 14.116 -4.400 340 HB2 PRO 61 HB1 PRO 61 -9.189 12.815 -3.197 341 HB3 PRO 61 HB2 PRO 61 -8.409 14.240 -2.516 342 HG2 PRO 61 HG1 PRO 61 -10.925 14.040 -4.136 343 HG3 PRO 61 HG2 PRO 61 -10.611 14.981 -2.629 344 HD2 PRO 61 HD1 PRO 61 -10.628 16.122 -5.094 345 HD3 PRO 61 HD2 PRO 61 -9.561 16.675 -3.789 346 H PHE 62 H PHE 62 -6.607 12.141 -5.195 347 HA PHE 62 HA PHE 62 -8.535 10.494 -6.542 348 HB2 PHE 62 HB1 PHE 62 -7.613 10.516 -8.734 349 HB3 PHE 62 HB2 PHE 62 -7.858 12.202 -8.278 350 HD1 PHE 62 HD1 PHE 62 -5.737 13.262 -7.007 351 HD2 PHE 62 HD2 PHE 62 -5.623 10.039 -9.785 352 HE1 PHE 62 HE1 PHE 62 -3.376 13.762 -7.486 353 HE2 PHE 62 HE2 PHE 62 -3.262 10.533 -10.267 354 HZ PHE 62 HZ PHE 62 -2.134 12.396 -9.116 355 H CYS 63 H CYS 63 -7.607 8.428 -7.244 356 HA CYS 63 HA CYS 63 -5.601 7.542 -5.367 357 HB2 CYS 63 HB1 CYS 63 -7.404 6.197 -7.359 358 HB3 CYS 63 HB2 CYS 63 -6.044 5.311 -6.667 359 H ALA 64 H ALA 64 -3.505 7.688 -5.774 360 HA ALA 64 HA ALA 64 -2.589 7.621 -8.568 361 HB1 ALA 64 HB1 ALA 64 -1.478 9.456 -7.978 362 HB2 ALA 64 HB2 ALA 64 -1.843 9.210 -6.270 363 HB3 ALA 64 HB3 ALA 64 -0.444 8.419 -6.996 364 H THR 65 H THR 65 -1.071 6.172 -9.244 365 HA THR 65 HA THR 65 -0.818 3.742 -7.807 366 HB THR 65 HB THR 65 -0.773 3.858 -10.280 367 HG1 THR 65 HG1 THR 65 0.467 2.110 -10.333 368 HG21 THR 65 HG21 THR 65 0.948 5.907 -10.028 369 HG22 THR 65 HG22 THR 65 0.825 4.925 -11.488 370 HG23 THR 65 HG23 THR 65 2.091 4.594 -10.306 371 H CYS 66 H CYS 66 1.430 2.710 -7.538 372 HA CYS 66 HA CYS 66 2.867 4.274 -5.630 373 HB2 CYS 66 HB1 CYS 66 2.507 1.607 -6.005 374 HB3 CYS 66 HB2 CYS 66 4.132 1.811 -6.662 375 H ARG 67 H ARG 67 5.384 4.188 -5.771 376 HA ARG 67 HA ARG 67 6.131 5.265 -8.408 377 HB2 ARG 67 HB1 ARG 67 7.255 5.863 -5.662 378 HB3 ARG 67 HB2 ARG 67 7.907 6.506 -7.177 379 HG2 ARG 67 HG1 ARG 67 5.027 6.948 -6.484 380 HG3 ARG 67 HG2 ARG 67 6.293 7.953 -5.760 381 HD2 ARG 67 HD1 ARG 67 6.837 8.965 -7.743 382 HD3 ARG 67 HD2 ARG 67 6.377 7.550 -8.700 383 HE ARG 67 HE ARG 67 4.276 8.419 -8.905 384 HH11 ARG 67 HH11 ARG 67 5.889 9.991 -6.251 385 HH12 ARG 67 HH12 ARG 67 4.628 11.152 -6.001 386 HH21 ARG 67 HH21 ARG 67 2.609 9.943 -8.587 387 HH22 ARG 67 HH22 ARG 67 2.761 11.123 -7.330 388 H GLY 68 H GLY 68 8.454 4.995 -8.992 389 HA2 GLY 68 HA2 GLY 68 9.273 2.245 -8.365 390 HA3 GLY 68 HA3 GLY 68 9.780 3.175 -9.768 391 HA1 GLY 68 HA1 GLY 68 9.259 2.860 -7.731 392 H LEU 69 H LEU 69 11.917 2.330 -9.076 393 HA LEU 69 HA LEU 69 13.115 3.277 -6.674 394 HB2 LEU 69 HB1 LEU 69 14.018 1.864 -9.129 395 HB3 LEU 69 HB2 LEU 69 15.248 2.711 -8.174 396 HG LEU 69 HG LEU 69 13.425 0.536 -7.146 397 HD11 LEU 69 HD11 LEU 69 15.552 0.200 -8.793 398 HD12 LEU 69 HD12 LEU 69 15.020 -0.978 -7.594 399 HD13 LEU 69 HD13 LEU 69 16.332 0.136 -7.213 400 HD21 LEU 69 HD21 LEU 69 15.603 2.160 -5.854 401 HD22 LEU 69 HD22 LEU 69 15.056 0.610 -5.213 402 HD23 LEU 69 HD23 LEU 69 13.930 1.962 -5.333 403 H ARG 70 H ARG 70 13.787 4.128 -10.077 404 HA ARG 70 HA ARG 70 15.384 6.354 -9.514 405 HB2 ARG 70 HB1 ARG 70 13.656 5.822 -11.944 406 HB3 ARG 70 HB2 ARG 70 14.957 7.019 -11.851 407 HG2 ARG 70 HG1 ARG 70 16.421 4.949 -11.179 408 HG3 ARG 70 HG2 ARG 70 15.129 4.052 -11.991 409 HD2 ARG 70 HD1 ARG 70 15.543 5.972 -13.831 410 HD3 ARG 70 HD2 ARG 70 17.158 5.887 -13.112 411 HE ARG 70 HE ARG 70 15.970 3.971 -14.844 412 HH11 ARG 70 HH11 ARG 70 18.120 4.300 -12.126 413 HH12 ARG 70 HH12 ARG 70 19.001 2.851 -12.480 414 HH21 ARG 70 HH21 ARG 70 17.120 2.061 -15.321 415 HH22 ARG 70 HH22 ARG 70 18.431 1.578 -14.298 416 H ARG 71 H ARG 71 11.942 5.963 -9.538 417 HA ARG 71 HA ARG 71 11.036 8.536 -9.972 418 HB2 ARG 71 HB1 ARG 71 10.030 6.120 -8.692 419 HB3 ARG 71 HB2 ARG 71 9.412 7.590 -7.926 420 HG2 ARG 71 HG1 ARG 71 7.919 6.760 -9.690 421 HG3 ARG 71 HG2 ARG 71 8.546 8.381 -10.036 422 HD2 ARG 71 HD1 ARG 71 10.144 7.517 -11.607 423 HD3 ARG 71 HD2 ARG 71 9.762 5.854 -11.137 424 HE ARG 71 HE ARG 71 7.934 5.914 -12.518 425 HH11 ARG 71 HH11 ARG 71 9.086 9.158 -11.996 426 HH12 ARG 71 HH12 ARG 71 8.039 9.860 -13.184 427 HH21 ARG 71 HH21 ARG 71 6.551 6.827 -14.085 428 HH22 ARG 71 HH22 ARG 71 6.597 8.534 -14.371 429 H ARG 72 H ARG 72 10.653 10.328 -8.678 430 HA ARG 72 HA ARG 72 12.493 10.642 -6.468 431 HB2 ARG 72 HB1 ARG 72 10.579 12.560 -7.812 432 HB3 ARG 72 HB2 ARG 72 11.663 13.008 -6.486 433 HG2 ARG 72 HG1 ARG 72 13.458 11.920 -8.164 434 HG3 ARG 72 HG2 ARG 72 12.259 12.506 -9.330 435 HD2 ARG 72 HD1 ARG 72 13.031 14.583 -9.112 436 HD3 ARG 72 HD2 ARG 72 12.645 14.538 -7.386 437 HE ARG 72 HE ARG 72 15.086 13.196 -7.875 438 HH11 ARG 72 HH11 ARG 72 13.694 16.383 -7.725 439 HH12 ARG 72 HH12 ARG 72 15.181 17.154 -7.281 440 HH21 ARG 72 HH21 ARG 72 17.050 14.199 -7.290 441 HH22 ARG 72 HH22 ARG 72 17.089 15.911 -7.034 442 H CYS 73 H CYS 73 11.843 11.512 -4.394 443 HA CYS 73 HA CYS 73 9.060 11.267 -3.628 444 HB2 CYS 73 HB1 CYS 73 9.527 9.668 -1.799 445 HB3 CYS 73 HB2 CYS 73 9.776 8.962 -3.396 446 H GLN 74 H GLN 74 8.648 12.056 -1.460 447 HA GLN 74 HA GLN 74 10.777 13.860 -0.515 448 HB2 GLN 74 HB1 GLN 74 8.438 14.679 -1.522 449 HB3 GLN 74 HB2 GLN 74 7.937 14.422 0.158 450 HG2 GLN 74 HG1 GLN 74 10.400 15.842 0.188 451 HG3 GLN 74 HG2 GLN 74 9.310 16.634 -0.957 452 HE21 GLN 74 HE21 GLN 74 7.193 17.252 -0.192 453 HE22 GLN 74 HE22 GLN 74 6.977 17.673 1.469 454 H ARG 75 H ARG 75 8.465 11.426 0.332 455 HA ARG 75 HA ARG 75 9.421 11.536 3.117 456 HB2 ARG 75 HB1 ARG 75 6.650 11.083 2.039 457 HB3 ARG 75 HB2 ARG 75 7.123 10.440 3.620 458 HG2 ARG 75 HG1 ARG 75 7.650 12.678 4.414 459 HG3 ARG 75 HG2 ARG 75 7.238 13.342 2.824 460 HD2 ARG 75 HD1 ARG 75 4.955 12.050 3.286 461 HD3 ARG 75 HD2 ARG 75 5.464 12.291 4.963 462 HE ARG 75 HE ARG 75 4.451 14.275 3.190 463 HH11 ARG 75 HH11 ARG 75 6.647 13.760 5.841 464 HH12 ARG 75 HH12 ARG 75 6.550 15.394 6.410 465 HH21 ARG 75 HH21 ARG 75 4.314 16.429 3.929 466 HH22 ARG 75 HH22 ARG 75 5.222 16.911 5.322 467 H ASP 76 H ASP 76 8.866 9.331 4.232 468 HA ASP 76 HA ASP 76 10.257 7.313 2.718 469 HB2 ASP 76 HB1 ASP 76 9.913 5.946 4.834 470 HB3 ASP 76 HB2 ASP 76 10.849 7.436 5.011 471 HD2 ASP 76 HD ASP 76 8.341 8.950 6.912 472 H ALA 77 H ALA 77 7.060 7.529 4.276 473 HA ALA 77 HA ALA 77 6.098 5.066 3.299 474 HB1 ALA 77 HB1 ALA 77 4.093 5.612 4.272 475 HB2 ALA 77 HB2 ALA 77 5.193 6.658 5.171 476 HB3 ALA 77 HB3 ALA 77 4.228 7.319 3.851 477 H MET 78 H MET 78 6.359 8.208 1.862 478 HA MET 78 HA MET 78 4.397 8.113 -0.096 479 HB2 MET 78 HB1 MET 78 6.959 9.522 0.284 480 HB3 MET 78 HB2 MET 78 6.434 9.372 -1.400 481 HG2 MET 78 HG1 MET 78 4.171 10.277 -0.578 482 HG3 MET 78 HG2 MET 78 5.060 10.754 0.871 483 HE1 MET 78 HE1 MET 78 4.885 12.575 -3.183 484 HE2 MET 78 HE2 MET 78 6.135 11.331 -3.250 485 HE3 MET 78 HE3 MET 78 4.504 10.915 -2.723 486 H CYS 79 H CYS 79 7.393 6.380 0.140 487 HA CYS 79 HA CYS 79 7.145 5.420 -2.619 488 HB2 CYS 79 HB1 CYS 79 9.355 5.764 -0.718 489 HB3 CYS 79 HB2 CYS 79 9.394 4.222 -1.574 490 H CYS 80 H CYS 80 7.149 3.178 -3.095 491 HA CYS 80 HA CYS 80 5.400 1.616 -1.639 492 HB2 CYS 80 HB1 CYS 80 7.267 1.203 -3.864 493 HB3 CYS 80 HB2 CYS 80 6.974 -0.256 -2.914 494 HA PRO 81 HA PRO 81 7.564 -0.173 1.729 495 HB2 PRO 81 HB1 PRO 81 6.608 -2.739 1.753 496 HB3 PRO 81 HB2 PRO 81 5.646 -1.339 2.222 497 HG2 PRO 81 HG1 PRO 81 5.742 -2.789 -0.402 498 HG3 PRO 81 HG2 PRO 81 4.310 -2.218 0.534 499 HD2 PRO 81 HD1 PRO 81 5.281 -0.880 -1.620 500 HD3 PRO 81 HD2 PRO 81 4.546 -0.058 -0.233 501 H GLY 82 H GLY 82 9.489 -1.127 2.163 502 HA2 GLY 82 HA2 GLY 82 11.086 -2.905 1.863 503 HA3 GLY 82 HA3 GLY 82 10.568 -3.029 0.189 504 HA1 GLY 82 HA1 GLY 82 11.034 -2.037 2.010 505 H THR 83 H THR 83 10.593 0.044 0.175 506 HA THR 83 HA THR 83 13.502 0.312 -0.225 507 HB THR 83 HB THR 83 12.775 2.199 -1.842 508 HG1 THR 83 HG1 THR 83 10.537 2.120 -1.253 509 HG21 THR 83 HG21 THR 83 13.656 0.644 -3.185 510 HG22 THR 83 HG22 THR 83 12.011 0.060 -3.438 511 HG23 THR 83 HG23 THR 83 13.024 -0.669 -2.193 512 H LEU 84 H LEU 84 14.157 2.725 -0.244 513 HA LEU 84 HA LEU 84 12.726 4.185 1.869 514 HB2 LEU 84 HB1 LEU 84 15.524 3.239 1.822 515 HB3 LEU 84 HB2 LEU 84 15.283 4.913 2.351 516 HG LEU 84 HG LEU 84 13.406 3.455 3.798 517 HD11 LEU 84 HD11 LEU 84 15.887 2.036 4.437 518 HD12 LEU 84 HD12 LEU 84 15.149 1.568 2.906 519 HD13 LEU 84 HD13 LEU 84 14.222 1.458 4.401 520 HD21 LEU 84 HD21 LEU 84 16.086 4.649 4.417 521 HD22 LEU 84 HD22 LEU 84 15.117 3.868 5.668 522 HD23 LEU 84 HD23 LEU 84 14.479 5.265 4.802 523 H CYS 85 H CYS 85 13.313 6.503 1.957 524 HA CYS 85 HA CYS 85 13.599 7.543 -0.759 525 HB2 CYS 85 HB1 CYS 85 11.726 8.180 0.933 526 HB3 CYS 85 HB2 CYS 85 12.962 9.213 1.655 527 H VAL 86 H VAL 86 15.750 7.595 -1.218 528 HA VAL 86 HA VAL 86 17.510 9.024 0.658 529 HB VAL 86 HB VAL 86 18.276 7.186 -1.616 530 HG11 VAL 86 HG11 VAL 86 19.931 8.946 -1.150 531 HG12 VAL 86 HG12 VAL 86 19.988 8.429 0.536 532 HG13 VAL 86 HG13 VAL 86 20.533 7.340 -0.742 533 HG21 VAL 86 HG21 VAL 86 18.364 6.714 1.363 534 HG22 VAL 86 HG22 VAL 86 17.193 6.007 0.249 535 HG23 VAL 86 HG23 VAL 86 18.902 5.593 0.112 536 H ASN 87 H ASN 87 18.389 10.921 0.099 537 HA ASN 87 HA ASN 87 18.739 12.853 -1.054 538 HB2 ASN 87 HB1 ASN 87 20.181 10.990 -2.270 539 HB3 ASN 87 HB2 ASN 87 19.062 11.321 -3.599 540 HD21 ASN 87 HD21 ASN 87 21.830 11.808 -3.673 541 HD22 ASN 87 HD22 ASN 87 22.070 13.512 -3.838 542 H ASP 88 H ASP 88 16.055 12.205 -0.770 543 HA ASP 88 HA ASP 88 13.989 12.785 -1.524 544 HB2 ASP 88 HB1 ASP 88 15.774 14.754 -2.478 545 HB3 ASP 88 HB2 ASP 88 14.685 14.380 -3.819 546 HD2 ASP 88 HD ASP 88 12.871 15.702 -0.540 547 H VAL 89 H VAL 89 15.470 10.491 -2.703 548 HA VAL 89 HA VAL 89 13.664 10.056 -4.954 549 HB VAL 89 HB VAL 89 16.644 9.605 -5.168 550 HG11 VAL 89 HG11 VAL 89 14.425 9.046 -7.133 551 HG12 VAL 89 HG12 VAL 89 16.151 8.903 -7.471 552 HG13 VAL 89 HG13 VAL 89 15.394 7.845 -6.279 553 HG21 VAL 89 HG21 VAL 89 16.201 11.208 -7.186 554 HG22 VAL 89 HG22 VAL 89 14.804 11.701 -6.230 555 HG23 VAL 89 HG23 VAL 89 16.429 11.863 -5.564 556 H CYS 90 H CYS 90 12.995 7.967 -5.169 557 HA CYS 90 HA CYS 90 13.152 6.237 -2.994 558 HB2 CYS 90 HB1 CYS 90 11.743 6.337 -5.387 559 HB3 CYS 90 HB2 CYS 90 12.682 4.850 -5.517 560 H THR 91 H THR 91 14.314 4.381 -2.561 561 HA THR 91 HA THR 91 16.380 3.501 -4.397 562 HB THR 91 HB THR 91 17.165 4.413 -1.626 563 HG1 THR 91 HG1 THR 91 16.774 6.243 -2.869 564 HG21 THR 91 HG21 THR 91 18.571 2.633 -2.414 565 HG22 THR 91 HG22 THR 91 19.467 4.146 -2.566 566 HG23 THR 91 HG23 THR 91 18.742 3.404 -3.991 567 H THR 92 H THR 92 17.066 1.409 -4.029 568 HA THR 92 HA THR 92 15.320 -0.229 -2.467 569 HB THR 92 HB THR 92 17.664 -1.672 -3.267 570 HG1 THR 92 HG1 THR 92 17.474 -1.196 -5.550 571 HG21 THR 92 HG21 THR 92 15.500 -2.701 -3.071 572 HG22 THR 92 HG22 THR 92 16.009 -2.803 -4.757 573 HG23 THR 92 HG23 THR 92 14.818 -1.599 -4.267 574 H MET 93 H MET 93 15.682 -1.271 -0.561 575 HA MET 93 HA MET 93 17.486 -0.160 1.281 576 HB2 MET 93 HB1 MET 93 15.282 -1.744 1.465 577 HB3 MET 93 HB2 MET 93 16.563 -2.907 1.834 578 HG2 MET 93 HG1 MET 93 17.327 -1.632 3.691 579 HG3 MET 93 HG2 MET 93 16.309 -0.265 3.235 580 HE1 MET 93 HE1 MET 93 16.076 -2.468 6.375 581 HE2 MET 93 HE2 MET 93 16.423 -0.824 5.841 582 HE3 MET 93 HE3 MET 93 14.848 -1.212 6.532 583 H GLU 94 H GLU 94 17.813 -2.755 -0.991 584 HA GLU 94 HA GLU 94 20.064 -4.004 0.252 585 HB2 GLU 94 HB1 GLU 94 18.683 -4.212 -2.391 586 HB3 GLU 94 HB2 GLU 94 20.313 -4.886 -2.228 587 HG2 GLU 94 HG1 GLU 94 19.352 -6.743 -1.489 588 HG3 GLU 94 HG2 GLU 94 18.998 -5.847 -0.004 589 HE2 GLU 94 HE GLU 94 16.027 -6.465 -2.564 590 H ASP 95 H ASP 95 19.607 -1.336 -1.918 591 HA ASP 95 HA ASP 95 22.419 -1.227 -2.647 592 HB2 ASP 95 HB1 ASP 95 20.656 -0.678 -4.308 593 HB3 ASP 95 HB2 ASP 95 20.182 0.700 -3.306 594 HD2 ASP 95 HD ASP 95 23.046 2.504 -4.217 595 H ALA 96 H ALA 96 20.079 0.896 -0.996 596 HA ALA 96 HA ALA 96 21.814 2.893 -0.192 597 HB1 ALA 96 HB1 ALA 96 19.467 1.854 1.389 598 HB2 ALA 96 HB2 ALA 96 20.195 3.457 1.504 599 HB3 ALA 96 HB3 ALA 96 19.355 2.973 0.031 600 H THR 97 H THR 97 23.162 3.225 1.532 601 HA THR 97 HA THR 97 24.584 2.736 3.242 602 HB THR 97 HB THR 97 22.703 0.506 4.011 603 HG1 THR 97 HG1 THR 97 21.628 2.584 3.734 604 HG21 THR 97 HG21 THR 97 24.349 0.250 5.535 605 HG22 THR 97 HG22 THR 97 23.597 1.648 6.305 606 HG23 THR 97 HG23 THR 97 24.997 1.865 5.254 607 H GLU 98 H GLU 98 26.367 2.012 2.177 608 HA GLU 98 HA GLU 98 26.561 -0.898 1.754 609 HB2 GLU 98 HB1 GLU 98 27.179 1.356 -0.006 610 HB3 GLU 98 HB2 GLU 98 28.523 0.214 0.158 611 HG2 GLU 98 HG1 GLU 98 27.528 -1.318 -1.109 612 HG3 GLU 98 HG2 GLU 98 25.989 -1.131 -0.256 613 HE2 GLU 98 HE GLU 98 26.298 1.646 -3.027 614 H ASN 99 H ASN 99 29.003 -1.540 1.610 615 HA ASN 99 HA ASN 99 30.953 -1.874 2.730 616 HB2 ASN 99 HB1 ASN 99 30.876 0.815 2.137 617 HB3 ASN 99 HB2 ASN 99 31.164 0.818 3.881 618 HD21 ASN 99 HD21 ASN 99 32.788 1.243 1.264 619 HD22 ASN 99 HD22 ASN 99 34.263 0.408 1.599 620 H LEU 100 H LEU 100 30.325 -3.254 4.332 621 HA LEU 100 HA LEU 100 28.940 -2.403 6.677 622 HB2 LEU 100 HB1 LEU 100 29.620 -4.849 5.450 623 HB3 LEU 100 HB2 LEU 100 30.354 -4.869 7.063 624 HG LEU 100 HG LEU 100 27.697 -3.966 7.387 625 HD11 LEU 100 HD11 LEU 100 27.138 -4.875 5.225 626 HD12 LEU 100 HD12 LEU 100 26.453 -5.896 6.487 627 HD13 LEU 100 HD13 LEU 100 27.908 -6.408 5.633 628 HD21 LEU 100 HD21 LEU 100 27.656 -6.480 8.326 629 HD22 LEU 100 HD22 LEU 100 28.427 -5.140 9.174 630 HD23 LEU 100 HD23 LEU 100 29.398 -6.239 8.195 631 H TYR 101 H TYR 101 30.081 -3.421 8.835 632 HA TYR 101 HA TYR 101 32.409 -1.711 9.211 633 HB2 TYR 101 HB1 TYR 101 30.354 -1.825 10.775 634 HB3 TYR 101 HB2 TYR 101 31.063 -3.332 11.362 635 HD1 TYR 101 HD1 TYR 101 32.641 -0.072 10.443 636 HD2 TYR 101 HD2 TYR 101 31.923 -2.966 13.478 637 HE1 TYR 101 HE1 TYR 101 34.095 1.185 11.977 638 HE2 TYR 101 HE2 TYR 101 33.373 -1.716 15.021 639 HH TYR 101 HH TYR 101 34.254 1.376 14.621 640 H PHE 102 H PHE 102 33.674 -3.236 7.824 641 HA PHE 102 HA PHE 102 35.254 -4.851 7.558 642 HB2 PHE 102 HB1 PHE 102 35.520 -3.803 10.219 643 HB3 PHE 102 HB2 PHE 102 35.926 -5.520 10.230 644 HD1 PHE 102 HD1 PHE 102 38.085 -6.145 9.776 645 HD2 PHE 102 HD2 PHE 102 36.626 -2.471 8.198 646 HE1 PHE 102 HE1 PHE 102 40.318 -5.653 8.867 647 HE2 PHE 102 HE2 PHE 102 38.855 -1.974 7.284 648 HZ PHE 102 HZ PHE 102 40.705 -3.565 7.618 649 H GLN 103 H GLN 103 35.986 -7.115 8.736 650 HA GLN 103 HA GLN 103 33.986 -8.705 9.886 651 HB2 GLN 103 HB1 GLN 103 33.547 -10.167 7.842 652 HB3 GLN 103 HB2 GLN 103 32.718 -8.604 7.903 653 HG2 GLN 103 HG1 GLN 103 33.846 -7.760 6.136 654 HG3 GLN 103 HG2 GLN 103 35.328 -8.640 6.534 655 HE21 GLN 103 HE21 GLN 103 33.047 -8.365 4.268 656 HE22 GLN 103 HE22 GLN 103 33.063 -9.961 3.606 657 H SER 104 H SER 104 35.714 -9.443 11.097 658 HA SER 104 HA SER 104 38.070 -10.534 9.889 659 HB2 SER 104 HB1 SER 104 37.639 -11.441 12.611 660 HB3 SER 104 HB2 SER 104 38.891 -10.363 11.971 661 HG SER 104 HG SER 104 37.523 -8.626 12.242 662 H LEU 105 H LEU 105 35.657 -12.103 11.998 663 HA LEU 105 HA LEU 105 34.655 -14.152 11.876 664 HB2 LEU 105 HB1 LEU 105 34.891 -13.496 9.278 665 HB3 LEU 105 HB2 LEU 105 35.947 -14.918 9.331 666 HG LEU 105 HG LEU 105 33.694 -15.509 8.610 667 HD11 LEU 105 HD11 LEU 105 33.442 -17.409 9.942 668 HD12 LEU 105 HD12 LEU 105 34.040 -16.593 11.386 669 HD13 LEU 105 HD13 LEU 105 35.153 -17.009 10.083 670 HD21 LEU 105 HD21 LEU 105 32.783 -13.606 10.257 671 HD22 LEU 105 HD22 LEU 105 32.531 -15.019 11.284 672 HD23 LEU 105 HD23 LEU 105 31.785 -14.944 9.687 673 H GLU 106 H GLU 106 37.827 -14.458 10.264 674 HA GLU 106 HA GLU 106 38.954 -15.882 12.472 675 HB2 GLU 106 HB1 GLU 106 39.263 -18.031 11.453 676 HB3 GLU 106 HB2 GLU 106 37.537 -17.638 11.401 677 HG2 GLU 106 HG1 GLU 106 37.779 -16.931 9.054 678 HG3 GLU 106 HG2 GLU 106 39.482 -17.409 9.117 679 HE2 GLU 106 HE GLU 106 38.076 -20.816 9.676 680 H HIS 107 H HIS 107 41.040 -17.168 11.324 681 HA HIS 107 HA HIS 107 42.288 -15.751 9.208 682 HB2 HIS 107 HB1 HIS 107 42.399 -14.455 11.702 683 HB3 HIS 107 HB2 HIS 107 43.991 -15.187 11.474 684 HD1 HIS 107 HD1 HIS 107 45.601 -13.823 10.189 685 HD2 HIS 107 HD2 HIS 107 41.670 -12.841 9.272 686 HE1 HIS 107 HE1 HIS 107 45.747 -11.887 8.592 687 HE2 HIS 107 HE2 HIS 107 43.345 -11.285 8.029 688 H HIS 108 H HIS 108 44.094 -16.802 8.477 689 HA HIS 108 HA HIS 108 44.523 -19.452 9.390 690 HB2 HIS 108 HB1 HIS 108 45.345 -17.799 7.164 691 HB3 HIS 108 HB2 HIS 108 46.716 -18.722 7.788 692 HD1 HIS 108 HD1 HIS 108 44.493 -19.052 5.200 693 HD2 HIS 108 HD2 HIS 108 45.509 -21.609 8.314 694 HE1 HIS 108 HE1 HIS 108 43.856 -21.354 4.414 695 HE2 HIS 108 HE2 HIS 108 44.475 -22.917 6.318 696 H HIS 109 H HIS 109 46.700 -20.321 9.956 697 HA HIS 109 HA HIS 109 48.566 -18.526 11.221 698 HB2 HIS 109 HB1 HIS 109 46.437 -19.614 12.762 699 HB3 HIS 109 HB2 HIS 109 47.921 -20.439 13.252 700 HD1 HIS 109 HD1 HIS 109 46.057 -17.870 14.493 701 HD2 HIS 109 HD2 HIS 109 50.051 -18.060 13.365 702 HE1 HIS 109 HE1 HIS 109 47.193 -15.994 15.723 703 HE2 HIS 109 HE2 HIS 109 49.635 -16.110 15.034 704 H HIS 110 H HIS 110 50.217 -19.982 12.537 705 HA HIS 110 HA HIS 110 50.601 -22.663 11.825 706 HB2 HIS 110 HB1 HIS 110 51.068 -21.009 9.657 707 HB3 HIS 110 HB2 HIS 110 52.685 -21.258 10.326 708 HD1 HIS 110 HD1 HIS 110 53.755 -23.547 10.055 709 HD2 HIS 110 HD2 HIS 110 49.828 -23.401 8.709 710 HE1 HIS 110 HE1 HIS 110 53.389 -25.704 8.813 711 HE2 HIS 110 HE2 HIS 110 50.988 -25.615 7.990 712 H HIS 111 H HIS 111 52.659 -23.506 12.541 713 HA HIS 111 HA HIS 111 54.650 -21.870 13.715 714 HB2 HIS 111 HB1 HIS 111 54.259 -22.386 16.078 715 HB3 HIS 111 HB2 HIS 111 52.917 -21.462 15.397 716 HD1 HIS 111 HD1 HIS 111 50.718 -22.883 14.794 717 HD2 HIS 111 HD2 HIS 111 53.518 -24.774 17.212 718 HE1 HIS 111 HE1 HIS 111 49.502 -24.817 15.846 719 HE2 HIS 111 HE2 HIS 111 51.212 -25.973 17.323 720 H HIS 112 H HIS 112 56.437 -23.054 14.419 721 HA HIS 112 HA HIS 112 56.750 -25.611 13.266 722 HB2 HIS 112 HB1 HIS 112 58.470 -23.692 14.066 723 HB3 HIS 112 HB2 HIS 112 58.615 -24.808 15.427 724 HD1 HIS 112 HD1 HIS 112 60.508 -24.122 12.702 725 HD2 HIS 112 HD2 HIS 112 58.715 -27.658 13.945 726 HE1 HIS 112 HE1 HIS 112 61.806 -25.963 11.583 727 HE2 HIS 112 HE2 HIS 112 60.710 -28.125 12.343 Start of MODEL 58 1 H1 MET 18 H MET 18 -79.568 -6.750 23.753 2 HA MET 18 HA MET 18 -77.953 -7.932 22.332 3 HB2 MET 18 HB1 MET 18 -80.464 -8.359 20.700 4 HB3 MET 18 HB2 MET 18 -78.833 -8.654 20.079 5 HG2 MET 18 HG1 MET 18 -78.488 -10.496 21.424 6 HG3 MET 18 HG2 MET 18 -79.683 -9.969 22.612 7 HE1 MET 18 HE1 MET 18 -82.444 -11.136 22.413 8 HE2 MET 18 HE2 MET 18 -82.044 -9.489 21.926 9 HE3 MET 18 HE3 MET 18 -83.016 -10.511 20.866 10 H LEU 19 H LEU 19 -77.323 -5.695 22.560 11 HA LEU 19 HA LEU 19 -77.989 -4.095 20.177 12 HB2 LEU 19 HB1 LEU 19 -78.083 -3.427 23.007 13 HB3 LEU 19 HB2 LEU 19 -77.056 -2.313 22.085 14 HG LEU 19 HG LEU 19 -79.411 -1.552 22.363 15 HD11 LEU 19 HD11 LEU 19 -77.759 -1.455 20.121 16 HD12 LEU 19 HD12 LEU 19 -79.107 -0.384 20.502 17 HD13 LEU 19 HD13 LEU 19 -79.370 -1.806 19.495 18 HD21 LEU 19 HD21 LEU 19 -80.230 -4.009 22.011 19 HD22 LEU 19 HD22 LEU 19 -80.222 -3.557 20.306 20 HD23 LEU 19 HD23 LEU 19 -81.213 -2.655 21.454 21 H VAL 20 H VAL 20 -76.329 -3.582 18.909 22 HA VAL 20 HA VAL 20 -73.604 -3.883 19.997 23 HB VAL 20 HB VAL 20 -74.518 -4.242 17.138 24 HG11 VAL 20 HG11 VAL 20 -72.021 -5.342 17.355 25 HG12 VAL 20 HG12 VAL 20 -72.382 -3.753 16.679 26 HG13 VAL 20 HG13 VAL 20 -71.889 -3.903 18.366 27 HG21 VAL 20 HG21 VAL 20 -74.040 -6.128 19.384 28 HG22 VAL 20 HG22 VAL 20 -75.240 -6.188 18.093 29 HG23 VAL 20 HG23 VAL 20 -73.565 -6.629 17.762 30 H LEU 21 H LEU 21 -72.293 -2.170 19.951 31 HA LEU 21 HA LEU 21 -73.287 0.305 18.780 32 HB2 LEU 21 HB1 LEU 21 -70.730 -0.002 20.333 33 HB3 LEU 21 HB2 LEU 21 -71.746 1.436 20.134 34 HG LEU 21 HG LEU 21 -73.439 -0.283 21.430 35 HD11 LEU 21 HD11 LEU 21 -70.635 -0.970 22.113 36 HD12 LEU 21 HD12 LEU 21 -72.078 -1.983 22.091 37 HD13 LEU 21 HD13 LEU 21 -71.804 -0.867 23.429 38 HD21 LEU 21 HD21 LEU 21 -73.224 1.181 23.262 39 HD22 LEU 21 HD22 LEU 21 -72.870 2.154 21.835 40 HD23 LEU 21 HD23 LEU 21 -71.553 1.574 22.855 41 H ASP 22 H ASP 22 -71.963 1.653 17.445 42 HA ASP 22 HA ASP 22 -70.126 0.095 15.759 43 HB2 ASP 22 HB1 ASP 22 -70.542 1.936 14.071 44 HB3 ASP 22 HB2 ASP 22 -71.942 0.929 14.461 45 HD2 ASP 22 HD ASP 22 -72.114 4.760 15.242 46 H PHE 23 H PHE 23 -68.108 0.888 15.209 47 HA PHE 23 HA PHE 23 -67.236 3.437 16.306 48 HB2 PHE 23 HB1 PHE 23 -66.635 0.883 17.540 49 HB3 PHE 23 HB2 PHE 23 -65.157 1.689 17.011 50 HD1 PHE 23 HD1 PHE 23 -67.885 1.735 19.385 51 HD2 PHE 23 HD2 PHE 23 -64.567 3.926 17.869 52 HE1 PHE 23 HE1 PHE 23 -67.941 3.188 21.371 53 HE2 PHE 23 HE2 PHE 23 -64.616 5.381 19.852 54 HZ PHE 23 HZ PHE 23 -66.305 5.013 21.607 55 H ASN 24 H ASN 24 -64.974 3.953 15.622 56 HA ASN 24 HA ASN 24 -64.126 2.529 13.209 57 HB2 ASN 24 HB1 ASN 24 -65.409 5.104 13.242 58 HB3 ASN 24 HB2 ASN 24 -63.745 5.280 12.674 59 HD21 ASN 24 HD21 ASN 24 -63.173 4.529 10.702 60 HD22 ASN 24 HD22 ASN 24 -64.278 3.812 9.583 61 H ASN 25 H ASN 25 -61.931 3.015 12.559 62 HA ASN 25 HA ASN 25 -60.259 4.539 14.352 63 HB2 ASN 25 HB1 ASN 25 -60.604 1.704 14.730 64 HB3 ASN 25 HB2 ASN 25 -58.938 2.041 14.246 65 HD21 ASN 25 HD21 ASN 25 -60.052 1.157 16.818 66 HD22 ASN 25 HD22 ASN 25 -59.506 2.311 17.982 67 H ILE 26 H ILE 26 -58.047 4.706 13.591 68 HA ILE 26 HA ILE 26 -57.552 3.745 10.877 69 HB ILE 26 HB ILE 26 -57.108 5.830 9.924 70 HG12 ILE 26 HG11 ILE 26 -55.777 6.784 11.710 71 HG13 ILE 26 HG12 ILE 26 -57.028 7.940 11.226 72 HG21 ILE 26 HG21 ILE 26 -59.145 7.154 10.268 73 HG22 ILE 26 HG22 ILE 26 -59.493 5.431 10.150 74 HG23 ILE 26 HG23 ILE 26 -59.494 6.224 11.725 75 HD11 ILE 26 HD11 ILE 26 -56.995 8.032 13.560 76 HD12 ILE 26 HD12 ILE 26 -58.399 7.039 13.166 77 HD13 ILE 26 HD13 ILE 26 -56.906 6.277 13.715 78 H ARG 27 H ARG 27 -55.256 4.482 10.181 79 HA ARG 27 HA ARG 27 -53.404 4.739 12.410 80 HB2 ARG 27 HB1 ARG 27 -53.789 2.263 10.817 81 HB3 ARG 27 HB2 ARG 27 -52.119 2.750 11.132 82 HG2 ARG 27 HG1 ARG 27 -52.584 2.791 13.547 83 HG3 ARG 27 HG2 ARG 27 -54.238 2.250 13.212 84 HD2 ARG 27 HD1 ARG 27 -51.840 0.691 12.259 85 HD3 ARG 27 HD2 ARG 27 -52.517 0.475 13.879 86 HE ARG 27 HE ARG 27 -53.642 -0.440 11.399 87 HH11 ARG 27 HH11 ARG 27 -54.325 0.456 14.693 88 HH12 ARG 27 HH12 ARG 27 -55.777 -0.484 14.784 89 HH21 ARG 27 HH21 ARG 27 -55.553 -1.682 11.507 90 HH22 ARG 27 HH22 ARG 27 -56.474 -1.700 12.971 91 H SER 28 H SER 28 -51.581 5.816 11.870 92 HA SER 28 HA SER 28 -51.117 6.344 9.008 93 HB2 SER 28 HB1 SER 28 -51.609 8.198 11.197 94 HB3 SER 28 HB2 SER 28 -50.060 8.523 10.399 95 HG SER 28 HG SER 28 -51.179 9.408 8.872 96 H SER 29 H SER 29 -48.991 6.475 8.309 97 HA SER 29 HA SER 29 -46.778 6.320 10.122 98 HB2 SER 29 HB1 SER 29 -46.059 4.053 8.945 99 HB3 SER 29 HB2 SER 29 -47.082 4.049 10.393 100 HG SER 29 HG SER 29 -48.548 3.106 9.243 101 H ALA 30 H ALA 30 -44.754 6.514 9.073 102 HA ALA 30 HA ALA 30 -44.391 6.438 6.282 103 HB1 ALA 30 HB1 ALA 30 -44.380 9.281 7.164 104 HB2 ALA 30 HB2 ALA 30 -44.621 8.596 5.556 105 HB3 ALA 30 HB3 ALA 30 -45.920 8.527 6.748 106 H ASP 31 H ASP 31 -42.329 7.760 5.669 107 HA ASP 31 HA ASP 31 -40.474 8.522 7.621 108 HB2 ASP 31 HB1 ASP 31 -40.815 5.832 7.771 109 HB3 ASP 31 HB2 ASP 31 -39.510 5.928 6.582 110 HD2 ASP 31 HD ASP 31 -37.623 7.733 9.164 111 H LEU 32 H LEU 32 -38.226 8.680 6.715 112 HA LEU 32 HA LEU 32 -37.689 8.294 3.983 113 HB2 LEU 32 HB1 LEU 32 -39.414 10.415 4.397 114 HB3 LEU 32 HB2 LEU 32 -37.824 11.187 4.284 115 HG LEU 32 HG LEU 32 -38.077 9.317 2.145 116 HD11 LEU 32 HD11 LEU 32 -40.565 9.858 2.750 117 HD12 LEU 32 HD12 LEU 32 -40.030 9.854 1.071 118 HD13 LEU 32 HD13 LEU 32 -40.216 11.381 1.932 119 HD21 LEU 32 HD21 LEU 32 -37.230 11.038 0.937 120 HD22 LEU 32 HD22 LEU 32 -36.863 11.658 2.547 121 HD23 LEU 32 HD23 LEU 32 -38.290 12.233 1.684 122 H HIS 33 H HIS 33 -35.669 9.413 3.296 123 HA HIS 33 HA HIS 33 -34.052 10.800 5.158 124 HB2 HIS 33 HB1 HIS 33 -32.454 9.139 5.776 125 HB3 HIS 33 HB2 HIS 33 -34.050 8.497 6.173 126 HD1 HIS 33 HD1 HIS 33 -35.070 6.812 4.259 127 HD2 HIS 33 HD2 HIS 33 -30.961 7.423 4.278 128 HE1 HIS 33 HE1 HIS 33 -34.100 4.898 2.949 129 HE2 HIS 33 HE2 HIS 33 -31.587 5.272 2.960 130 H GLY 34 H GLY 34 -31.582 10.502 4.373 131 HA2 GLY 34 HA2 GLY 34 -30.933 9.821 1.782 132 HA3 GLY 34 HA3 GLY 34 -31.584 11.450 1.680 133 HA1 GLY 34 HA1 GLY 34 -30.663 9.780 2.620 134 H ALA 35 H ALA 35 -30.004 12.887 1.543 135 HA ALA 35 HA ALA 35 -28.078 14.031 1.941 136 HB1 ALA 35 HB1 ALA 35 -29.001 13.199 4.444 137 HB2 ALA 35 HB2 ALA 35 -27.271 12.855 4.438 138 HB3 ALA 35 HB3 ALA 35 -27.846 14.488 4.101 139 H ARG 36 H ARG 36 -25.678 13.744 2.373 140 HA ARG 36 HA ARG 36 -24.531 11.150 2.301 141 HB2 ARG 36 HB1 ARG 36 -23.620 11.245 -0.003 142 HB3 ARG 36 HB2 ARG 36 -25.382 11.078 0.042 143 HG2 ARG 36 HG1 ARG 36 -24.230 13.820 -0.156 144 HG3 ARG 36 HG2 ARG 36 -24.205 12.776 -1.586 145 HD2 ARG 36 HD1 ARG 36 -26.774 12.446 -0.611 146 HD3 ARG 36 HD2 ARG 36 -26.434 14.157 -0.323 147 HE ARG 36 HE ARG 36 -25.631 13.750 -2.894 148 HH11 ARG 36 HH11 ARG 36 -28.587 13.208 -1.135 149 HH12 ARG 36 HH12 ARG 36 -29.606 13.448 -2.515 150 HH21 ARG 36 HH21 ARG 36 -26.963 14.068 -4.719 151 HH22 ARG 36 HH22 ARG 36 -28.681 13.936 -4.553 152 H LYS 37 H LYS 37 -22.132 11.493 1.230 153 HA LYS 37 HA LYS 37 -21.078 13.922 2.527 154 HB2 LYS 37 HB1 LYS 37 -20.572 11.334 3.258 155 HB3 LYS 37 HB2 LYS 37 -19.218 11.672 2.168 156 HG2 LYS 37 HG1 LYS 37 -18.284 12.365 4.118 157 HG3 LYS 37 HG2 LYS 37 -19.066 13.877 3.622 158 HD2 LYS 37 HD1 LYS 37 -20.405 13.870 5.407 159 HD3 LYS 37 HD2 LYS 37 -20.902 12.198 5.093 160 HE2 LYS 37 HE1 LYS 37 -19.881 12.252 7.259 161 HE3 LYS 37 HE2 LYS 37 -18.768 11.440 6.148 162 HZ1 LYS 37 HZ1 LYS 37 -17.279 13.127 6.248 163 HZ2 LYS 37 HZ2 LYS 37 -17.973 13.334 7.775 164 HZ3 LYS 37 HZ3 LYS 37 -18.451 14.324 6.489 165 H GLY 38 H GLY 38 -19.298 14.969 1.554 166 HA2 GLY 38 HA2 GLY 38 -19.008 14.342 -1.317 167 HA3 GLY 38 HA3 GLY 38 -18.893 15.959 -0.639 168 HA1 GLY 38 HA1 GLY 38 -18.664 13.846 -0.673 169 H SER 39 H SER 39 -17.311 12.795 -0.707 170 HA SER 39 HA SER 39 -14.723 14.101 -0.753 171 HB2 SER 39 HB1 SER 39 -13.880 13.371 1.247 172 HB3 SER 39 HB2 SER 39 -15.584 13.506 1.713 173 HG SER 39 HG SER 39 -15.198 11.487 2.288 174 H GLN 40 H GLN 40 -13.170 12.904 -1.774 175 HA GLN 40 HA GLN 40 -14.082 10.644 -3.291 176 HB2 GLN 40 HB1 GLN 40 -11.439 12.092 -3.110 177 HB3 GLN 40 HB2 GLN 40 -11.678 10.668 -4.134 178 HG2 GLN 40 HG1 GLN 40 -13.451 13.080 -4.370 179 HG3 GLN 40 HG2 GLN 40 -11.898 12.974 -5.210 180 HE21 GLN 40 HE21 GLN 40 -15.038 12.658 -5.716 181 HE22 GLN 40 HE22 GLN 40 -15.057 11.430 -6.931 182 H CYS 41 H CYS 41 -11.405 11.116 -0.980 183 HA CYS 41 HA CYS 41 -11.816 8.397 -0.003 184 HB2 CYS 41 HB1 CYS 41 -9.493 7.775 -0.221 185 HB3 CYS 41 HB2 CYS 41 -10.114 8.236 -1.805 186 H LEU 42 H LEU 42 -11.152 8.068 2.111 187 HA LEU 42 HA LEU 42 -10.586 10.521 3.602 188 HB2 LEU 42 HB1 LEU 42 -12.258 8.281 4.040 189 HB3 LEU 42 HB2 LEU 42 -10.999 8.248 5.287 190 HG LEU 42 HG LEU 42 -11.721 10.807 5.514 191 HD11 LEU 42 HD11 LEU 42 -13.491 10.143 3.638 192 HD12 LEU 42 HD12 LEU 42 -13.841 11.322 4.901 193 HD13 LEU 42 HD13 LEU 42 -14.413 9.662 5.063 194 HD21 LEU 42 HD21 LEU 42 -13.213 8.484 6.730 195 HD22 LEU 42 HD22 LEU 42 -13.143 10.125 7.373 196 HD23 LEU 42 HD23 LEU 42 -11.680 9.142 7.303 197 H SER 43 H SER 43 -9.200 7.458 2.749 198 HA SER 43 HA SER 43 -6.625 8.269 3.703 199 HB2 SER 43 HB1 SER 43 -8.137 7.086 5.639 200 HB3 SER 43 HB2 SER 43 -7.337 5.675 4.923 201 HG SER 43 HG SER 43 -6.012 8.006 5.855 202 H ASP 44 H ASP 44 -4.989 6.457 3.350 203 HA ASP 44 HA ASP 44 -5.083 5.609 0.703 204 HB2 ASP 44 HB1 ASP 44 -3.080 4.382 1.138 205 HB3 ASP 44 HB2 ASP 44 -3.028 5.835 2.145 206 HD2 ASP 44 HD ASP 44 -2.793 2.401 3.914 207 H THR 45 H THR 45 -6.287 4.100 3.591 208 HA THR 45 HA THR 45 -6.488 1.447 2.706 209 HB THR 45 HB THR 45 -8.644 1.641 4.338 210 HG1 THR 45 HG1 THR 45 -8.223 3.246 5.872 211 HG21 THR 45 HG21 THR 45 -7.219 0.889 6.102 212 HG22 THR 45 HG22 THR 45 -5.810 1.657 5.369 213 HG23 THR 45 HG23 THR 45 -6.558 0.262 4.592 214 H ASP 46 H ASP 46 -8.355 4.261 1.950 215 HA ASP 46 HA ASP 46 -10.704 2.940 1.047 216 HB2 ASP 46 HB1 ASP 46 -10.515 5.379 1.681 217 HB3 ASP 46 HB2 ASP 46 -9.687 5.635 0.140 218 HD2 ASP 46 HD ASP 46 -12.638 5.690 -1.590 219 H CYS 47 H CYS 47 -7.609 3.600 -0.367 220 HA CYS 47 HA CYS 47 -8.514 3.027 -3.066 221 HB2 CYS 47 HB1 CYS 47 -6.091 4.122 -1.807 222 HB3 CYS 47 HB2 CYS 47 -5.773 3.067 -3.184 223 H ASN 48 H ASN 48 -6.997 1.405 -0.400 224 HA ASN 48 HA ASN 48 -6.398 -0.760 -0.050 225 HB2 ASN 48 HB1 ASN 48 -8.589 -0.835 -1.912 226 HB3 ASN 48 HB2 ASN 48 -7.452 -2.132 -2.292 227 HD21 ASN 48 HD21 ASN 48 -8.039 -3.963 -1.403 228 HD22 ASN 48 HD22 ASN 48 -8.717 -4.164 0.175 229 H THR 49 H THR 49 -5.370 -2.752 -1.269 230 HA THR 49 HA THR 49 -3.499 -3.531 -2.309 231 HB THR 49 HB THR 49 -3.501 -1.696 -4.574 232 HG1 THR 49 HG1 THR 49 -5.632 -1.444 -4.504 233 HG21 THR 49 HG21 THR 49 -4.193 -4.084 -5.580 234 HG22 THR 49 HG22 THR 49 -3.540 -4.606 -4.027 235 HG23 THR 49 HG23 THR 49 -2.536 -3.675 -5.138 236 H ARG 50 H ARG 50 -1.490 -2.515 -3.758 237 HA ARG 50 HA ARG 50 -0.124 -0.857 -1.843 238 HB2 ARG 50 HB1 ARG 50 0.817 -1.833 -4.551 239 HB3 ARG 50 HB2 ARG 50 1.831 -1.171 -3.259 240 HG2 ARG 50 HG1 ARG 50 2.192 -3.301 -2.696 241 HG3 ARG 50 HG2 ARG 50 0.574 -3.223 -1.980 242 HD2 ARG 50 HD1 ARG 50 -0.143 -3.796 -4.488 243 HD3 ARG 50 HD2 ARG 50 1.477 -4.508 -4.496 244 HE ARG 50 HE ARG 50 0.020 -5.328 -2.201 245 HH11 ARG 50 HH11 ARG 50 0.326 -5.870 -5.625 246 HH12 ARG 50 HH12 ARG 50 -0.254 -7.500 -5.552 247 HH21 ARG 50 HH21 ARG 50 -0.745 -7.473 -2.090 248 HH22 ARG 50 HH22 ARG 50 -0.864 -8.412 -3.540 249 H LYS 51 H LYS 51 -2.013 0.770 -2.450 250 HA LYS 51 HA LYS 51 -0.761 2.775 -4.175 251 HB2 LYS 51 HB1 LYS 51 -3.636 1.855 -4.373 252 HB3 LYS 51 HB2 LYS 51 -3.025 3.346 -5.110 253 HG2 LYS 51 HG1 LYS 51 -1.384 1.961 -6.393 254 HG3 LYS 51 HG2 LYS 51 -2.215 0.525 -5.770 255 HD2 LYS 51 HD1 LYS 51 -4.321 1.977 -6.720 256 HD3 LYS 51 HD2 LYS 51 -3.036 2.422 -7.857 257 HE2 LYS 51 HE1 LYS 51 -3.577 0.535 -8.947 258 HE3 LYS 51 HE2 LYS 51 -2.702 -0.286 -7.648 259 HZ1 LYS 51 HZ1 LYS 51 -4.900 -1.235 -7.985 260 HZ2 LYS 51 HZ2 LYS 51 -5.621 0.261 -7.666 261 HZ3 LYS 51 HZ3 LYS 51 -4.776 -0.547 -6.444 262 H PHE 52 H PHE 52 -0.966 4.842 -3.456 263 HA PHE 52 HA PHE 52 -2.403 5.194 -0.916 264 HB2 PHE 52 HB1 PHE 52 -0.903 7.141 -0.557 265 HB3 PHE 52 HB2 PHE 52 -0.031 5.615 -0.712 266 HD1 PHE 52 HD1 PHE 52 1.654 5.340 -2.295 267 HD2 PHE 52 HD2 PHE 52 -1.030 8.626 -2.634 268 HE1 PHE 52 HE1 PHE 52 3.042 6.283 -4.094 269 HE2 PHE 52 HE2 PHE 52 0.353 9.574 -4.434 270 HZ PHE 52 HZ PHE 52 2.391 8.402 -5.168 271 H CYS 53 H CYS 53 -3.307 7.389 -0.529 272 HA CYS 53 HA CYS 53 -4.579 8.388 -2.987 273 HB2 CYS 53 HB1 CYS 53 -5.805 7.431 -0.778 274 HB3 CYS 53 HB2 CYS 53 -5.693 9.139 -0.346 275 H LEU 54 H LEU 54 -3.106 9.925 -3.627 276 HA LEU 54 HA LEU 54 -2.096 11.884 -1.765 277 HB2 LEU 54 HB1 LEU 54 -0.621 11.177 -3.505 278 HB3 LEU 54 HB2 LEU 54 -1.832 11.549 -4.744 279 HG LEU 54 HG LEU 54 -1.351 13.964 -3.396 280 HD11 LEU 54 HD11 LEU 54 1.188 12.458 -3.990 281 HD12 LEU 54 HD12 LEU 54 0.669 13.114 -2.437 282 HD13 LEU 54 HD13 LEU 54 1.099 14.203 -3.756 283 HD21 LEU 54 HD21 LEU 54 -0.215 13.062 -6.035 284 HD22 LEU 54 HD22 LEU 54 -0.598 14.710 -5.534 285 HD23 LEU 54 HD23 LEU 54 -1.894 13.543 -5.800 286 H GLN 55 H GLN 55 -2.806 13.921 -1.454 287 HA GLN 55 HA GLN 55 -5.021 14.868 -3.147 288 HB2 GLN 55 HB1 GLN 55 -5.839 16.045 -1.028 289 HB3 GLN 55 HB2 GLN 55 -6.081 14.294 -1.130 290 HG2 GLN 55 HG1 GLN 55 -4.775 13.874 0.632 291 HG3 GLN 55 HG2 GLN 55 -3.553 15.042 0.113 292 HE21 GLN 55 HE21 GLN 55 -3.429 16.949 1.114 293 HE22 GLN 55 HE22 GLN 55 -4.548 17.523 2.298 294 HA PRO 56 HA PRO 56 -1.703 18.018 -3.380 295 HB2 PRO 56 HB1 PRO 56 -2.310 18.777 -5.941 296 HB3 PRO 56 HB2 PRO 56 -1.291 17.392 -5.552 297 HG2 PRO 56 HG1 PRO 56 -4.213 17.473 -6.228 298 HG3 PRO 56 HG2 PRO 56 -2.932 16.357 -6.834 299 HD2 PRO 56 HD1 PRO 56 -4.701 15.644 -4.901 300 HD3 PRO 56 HD2 PRO 56 -3.031 15.053 -4.935 301 H ARG 57 H ARG 57 -1.829 20.326 -3.598 302 HA ARG 57 HA ARG 57 -4.368 21.377 -2.699 303 HB2 ARG 57 HB1 ARG 57 -1.604 22.523 -3.026 304 HB3 ARG 57 HB2 ARG 57 -2.992 23.565 -2.685 305 HG2 ARG 57 HG1 ARG 57 -3.441 22.343 -0.622 306 HG3 ARG 57 HG2 ARG 57 -2.073 21.270 -0.966 307 HD2 ARG 57 HD1 ARG 57 -0.532 23.174 -0.871 308 HD3 ARG 57 HD2 ARG 57 -1.898 24.252 -0.548 309 HE ARG 57 HE ARG 57 -1.893 23.559 1.636 310 HH11 ARG 57 HH11 ARG 57 0.015 21.359 -0.272 311 HH12 ARG 57 HH12 ARG 57 0.630 20.497 1.100 312 HH21 ARG 57 HH21 ARG 57 -1.090 22.433 3.449 313 HH22 ARG 57 HH22 ARG 57 0.000 21.108 3.216 314 H ASP 58 H ASP 58 -2.191 21.868 -5.460 315 HA ASP 58 HA ASP 58 -3.951 23.720 -6.757 316 HB2 ASP 58 HB1 ASP 58 -1.359 22.396 -7.399 317 HB3 ASP 58 HB2 ASP 58 -2.324 22.994 -8.754 318 HD2 ASP 58 HD ASP 58 -0.167 25.579 -7.004 319 H GLU 59 H GLU 59 -3.631 20.289 -6.652 320 HA GLU 59 HA GLU 59 -5.546 20.035 -8.877 321 HB2 GLU 59 HB1 GLU 59 -3.092 18.644 -8.296 322 HB3 GLU 59 HB2 GLU 59 -4.444 17.503 -8.307 323 HG2 GLU 59 HG1 GLU 59 -5.035 18.822 -10.545 324 HG3 GLU 59 HG2 GLU 59 -3.287 19.093 -10.516 325 HE2 GLU 59 HE GLU 59 -4.275 15.833 -12.067 326 H LYS 60 H LYS 60 -6.651 17.682 -8.570 327 HA LYS 60 HA LYS 60 -7.994 17.861 -5.966 328 HB2 LYS 60 HB1 LYS 60 -9.738 16.409 -7.104 329 HB3 LYS 60 HB2 LYS 60 -9.563 18.056 -7.730 330 HG2 LYS 60 HG1 LYS 60 -7.824 16.217 -9.133 331 HG3 LYS 60 HG2 LYS 60 -9.520 15.701 -9.197 332 HD2 LYS 60 HD1 LYS 60 -10.095 18.074 -9.882 333 HD3 LYS 60 HD2 LYS 60 -8.352 18.330 -10.087 334 HE2 LYS 60 HE1 LYS 60 -8.378 16.285 -11.616 335 HE3 LYS 60 HE2 LYS 60 -10.142 16.433 -11.584 336 HZ1 LYS 60 HZ1 LYS 60 -9.301 18.954 -12.156 337 HZ2 LYS 60 HZ2 LYS 60 -9.879 17.828 -13.279 338 HZ3 LYS 60 HZ3 LYS 60 -8.214 17.989 -13.022 339 HA PRO 61 HA PRO 61 -6.423 14.017 -4.547 340 HB2 PRO 61 HB1 PRO 61 -8.560 13.036 -3.141 341 HB3 PRO 61 HB2 PRO 61 -7.576 14.394 -2.596 342 HG2 PRO 61 HG1 PRO 61 -10.204 14.408 -4.042 343 HG3 PRO 61 HG2 PRO 61 -9.681 15.381 -2.618 344 HD2 PRO 61 HD1 PRO 61 -9.736 16.386 -5.140 345 HD3 PRO 61 HD2 PRO 61 -8.528 16.876 -3.940 346 H PHE 62 H PHE 62 -6.276 11.897 -5.136 347 HA PHE 62 HA PHE 62 -8.418 10.390 -6.227 348 HB2 PHE 62 HB1 PHE 62 -7.806 10.247 -8.522 349 HB3 PHE 62 HB2 PHE 62 -7.881 11.965 -8.129 350 HD1 PHE 62 HD1 PHE 62 -6.014 9.584 -9.800 351 HD2 PHE 62 HD2 PHE 62 -5.544 12.936 -7.219 352 HE1 PHE 62 HE1 PHE 62 -3.716 9.891 -10.622 353 HE2 PHE 62 HE2 PHE 62 -3.245 13.249 -8.037 354 HZ PHE 62 HZ PHE 62 -2.328 11.726 -9.742 355 H CYS 63 H CYS 63 -7.615 8.272 -7.145 356 HA CYS 63 HA CYS 63 -5.725 7.151 -5.340 357 HB2 CYS 63 HB1 CYS 63 -7.789 6.128 -6.732 358 HB3 CYS 63 HB2 CYS 63 -6.462 5.648 -7.793 359 H ALA 64 H ALA 64 -3.616 7.543 -5.498 360 HA ALA 64 HA ALA 64 -2.397 7.733 -8.164 361 HB1 ALA 64 HB1 ALA 64 -1.691 9.634 -7.142 362 HB2 ALA 64 HB2 ALA 64 -1.773 8.929 -5.526 363 HB3 ALA 64 HB3 ALA 64 -0.416 8.549 -6.585 364 H THR 65 H THR 65 -0.769 6.393 -8.798 365 HA THR 65 HA THR 65 -0.534 3.877 -7.466 366 HB THR 65 HB THR 65 1.263 3.468 -9.245 367 HG1 THR 65 HG1 THR 65 1.584 5.006 -10.739 368 HG21 THR 65 HG21 THR 65 -0.384 2.609 -10.497 369 HG22 THR 65 HG22 THR 65 -1.085 4.199 -10.808 370 HG23 THR 65 HG23 THR 65 -1.492 3.329 -9.329 371 H CYS 66 H CYS 66 1.692 2.897 -7.100 372 HA CYS 66 HA CYS 66 3.024 4.389 -5.096 373 HB2 CYS 66 HB1 CYS 66 2.883 1.727 -5.830 374 HB3 CYS 66 HB2 CYS 66 4.553 2.156 -6.208 375 H ARG 67 H ARG 67 5.542 4.476 -5.163 376 HA ARG 67 HA ARG 67 6.289 5.808 -7.680 377 HB2 ARG 67 HB1 ARG 67 7.290 6.259 -4.858 378 HB3 ARG 67 HB2 ARG 67 7.939 7.062 -6.297 379 HG2 ARG 67 HG1 ARG 67 5.077 7.374 -6.192 380 HG3 ARG 67 HG2 ARG 67 5.829 7.919 -4.683 381 HD2 ARG 67 HD1 ARG 67 7.518 9.130 -6.264 382 HD3 ARG 67 HD2 ARG 67 6.240 8.923 -7.469 383 HE ARG 67 HE ARG 67 6.267 10.787 -5.314 384 HH11 ARG 67 HH11 ARG 67 4.174 8.813 -7.277 385 HH12 ARG 67 HH12 ARG 67 2.793 9.838 -7.065 386 HH21 ARG 67 HH21 ARG 67 4.455 12.143 -5.028 387 HH22 ARG 67 HH22 ARG 67 2.954 11.732 -5.786 388 H GLY 68 H GLY 68 8.026 5.116 -8.792 389 HA2 GLY 68 HA2 GLY 68 9.310 2.672 -7.909 390 HA3 GLY 68 HA3 GLY 68 9.514 3.456 -9.468 391 HA1 GLY 68 HA1 GLY 68 9.339 3.356 -7.352 392 H LEU 69 H LEU 69 11.778 2.619 -8.690 393 HA LEU 69 HA LEU 69 13.199 4.110 -6.762 394 HB2 LEU 69 HB1 LEU 69 14.290 2.682 -9.193 395 HB3 LEU 69 HB2 LEU 69 15.198 3.156 -7.747 396 HG LEU 69 HG LEU 69 13.067 1.032 -7.933 397 HD11 LEU 69 HD11 LEU 69 15.032 -0.357 -7.090 398 HD12 LEU 69 HD12 LEU 69 16.047 0.999 -7.578 399 HD13 LEU 69 HD13 LEU 69 15.066 0.155 -8.777 400 HD21 LEU 69 HD21 LEU 69 14.340 0.889 -5.456 401 HD22 LEU 69 HD22 LEU 69 12.676 1.380 -5.773 402 HD23 LEU 69 HD23 LEU 69 13.950 2.596 -5.678 403 H ARG 70 H ARG 70 12.367 4.736 -10.064 404 HA ARG 70 HA ARG 70 14.268 6.945 -10.252 405 HB2 ARG 70 HB1 ARG 70 12.399 5.643 -12.231 406 HB3 ARG 70 HB2 ARG 70 13.263 7.146 -12.590 407 HG2 ARG 70 HG1 ARG 70 15.301 5.565 -11.715 408 HG3 ARG 70 HG2 ARG 70 14.241 4.391 -12.514 409 HD2 ARG 70 HD1 ARG 70 14.347 6.658 -14.201 410 HD3 ARG 70 HD2 ARG 70 16.005 6.319 -13.684 411 HE ARG 70 HE ARG 70 14.954 3.887 -14.428 412 HH11 ARG 70 HH11 ARG 70 15.502 6.974 -15.942 413 HH12 ARG 70 HH12 ARG 70 15.731 6.304 -17.524 414 HH21 ARG 70 HH21 ARG 70 15.252 2.993 -16.506 415 HH22 ARG 70 HH22 ARG 70 15.586 4.040 -17.843 416 H ARG 71 H ARG 71 11.590 6.691 -8.653 417 HA ARG 71 HA ARG 71 10.342 9.160 -9.652 418 HB2 ARG 71 HB1 ARG 71 9.326 6.799 -8.122 419 HB3 ARG 71 HB2 ARG 71 8.538 8.368 -7.894 420 HG2 ARG 71 HG1 ARG 71 8.933 7.075 -10.591 421 HG3 ARG 71 HG2 ARG 71 7.472 6.899 -9.604 422 HD2 ARG 71 HD1 ARG 71 7.748 9.599 -9.593 423 HD3 ARG 71 HD2 ARG 71 8.430 9.199 -11.174 424 HE ARG 71 HE ARG 71 5.949 7.875 -10.762 425 HH11 ARG 71 HH11 ARG 71 7.352 10.959 -11.558 426 HH12 ARG 71 HH12 ARG 71 5.968 11.508 -12.442 427 HH21 ARG 71 HH21 ARG 71 4.120 8.585 -11.924 428 HH22 ARG 71 HH22 ARG 71 4.129 10.156 -12.649 429 H ARG 72 H ARG 72 10.254 10.963 -8.419 430 HA ARG 72 HA ARG 72 12.005 11.148 -6.168 431 HB2 ARG 72 HB1 ARG 72 11.188 13.513 -6.058 432 HB3 ARG 72 HB2 ARG 72 11.853 13.038 -7.628 433 HG2 ARG 72 HG1 ARG 72 9.034 12.519 -7.597 434 HG3 ARG 72 HG2 ARG 72 9.348 14.187 -7.093 435 HD2 ARG 72 HD1 ARG 72 11.035 14.053 -9.179 436 HD3 ARG 72 HD2 ARG 72 9.827 12.869 -9.699 437 HE ARG 72 HE ARG 72 8.368 14.584 -10.085 438 HH11 ARG 72 HH11 ARG 72 10.935 15.727 -8.030 439 HH12 ARG 72 HH12 ARG 72 10.423 17.381 -8.090 440 HH21 ARG 72 HH21 ARG 72 7.685 16.760 -10.173 441 HH22 ARG 72 HH22 ARG 72 8.574 17.967 -9.309 442 H CYS 73 H CYS 73 11.456 11.757 -4.028 443 HA CYS 73 HA CYS 73 8.685 11.636 -3.195 444 HB2 CYS 73 HB1 CYS 73 9.103 9.827 -1.540 445 HB3 CYS 73 HB2 CYS 73 9.196 9.277 -3.214 446 H GLN 74 H GLN 74 8.489 11.991 -0.803 447 HA GLN 74 HA GLN 74 10.666 13.747 0.116 448 HB2 GLN 74 HB1 GLN 74 8.244 14.624 -0.412 449 HB3 GLN 74 HB2 GLN 74 7.881 13.954 1.187 450 HG2 GLN 74 HG1 GLN 74 9.005 15.564 2.286 451 HG3 GLN 74 HG2 GLN 74 10.270 15.659 1.053 452 HE21 GLN 74 HE21 GLN 74 8.484 17.660 2.489 453 HE22 GLN 74 HE22 GLN 74 7.871 18.653 1.215 454 H ARG 75 H ARG 75 8.624 11.059 0.897 455 HA ARG 75 HA ARG 75 10.160 10.650 3.358 456 HB2 ARG 75 HB1 ARG 75 7.990 9.821 4.432 457 HB3 ARG 75 HB2 ARG 75 8.201 11.572 4.272 458 HG2 ARG 75 HG1 ARG 75 6.738 11.645 2.363 459 HG3 ARG 75 HG2 ARG 75 6.619 9.877 2.354 460 HD2 ARG 75 HD1 ARG 75 5.509 9.894 4.518 461 HD3 ARG 75 HD2 ARG 75 5.706 11.650 4.615 462 HE ARG 75 HE ARG 75 3.661 10.248 3.231 463 HH11 ARG 75 HH11 ARG 75 5.651 13.101 3.088 464 HH12 ARG 75 HH12 ARG 75 4.507 14.011 2.159 465 HH21 ARG 75 HH21 ARG 75 2.146 11.436 2.008 466 HH22 ARG 75 HH22 ARG 75 2.513 13.064 1.546 467 H ASP 76 H ASP 76 9.997 8.414 4.170 468 HA ASP 76 HA ASP 76 10.180 6.554 1.978 469 HB2 ASP 76 HB1 ASP 76 10.310 5.750 4.872 470 HB3 ASP 76 HB2 ASP 76 11.182 5.079 3.485 471 HD2 ASP 76 HD ASP 76 13.805 7.236 3.919 472 H ALA 77 H ALA 77 7.851 7.403 4.394 473 HA ALA 77 HA ALA 77 6.346 5.040 4.498 474 HB1 ALA 77 HB1 ALA 77 5.341 7.869 4.786 475 HB2 ALA 77 HB2 ALA 77 4.548 6.406 5.371 476 HB3 ALA 77 HB3 ALA 77 6.084 6.916 6.071 477 H MET 78 H MET 78 6.083 7.864 2.363 478 HA MET 78 HA MET 78 3.809 6.942 0.951 479 HB2 MET 78 HB1 MET 78 4.182 8.732 -0.558 480 HB3 MET 78 HB2 MET 78 4.683 9.317 1.035 481 HG2 MET 78 HG1 MET 78 6.547 9.997 0.018 482 HG3 MET 78 HG2 MET 78 7.013 8.295 0.060 483 HE1 MET 78 HE1 MET 78 4.172 9.826 -2.625 484 HE2 MET 78 HE2 MET 78 5.150 10.986 -1.724 485 HE3 MET 78 HE3 MET 78 5.447 10.729 -3.444 486 H CYS 79 H CYS 79 7.187 6.235 0.726 487 HA CYS 79 HA CYS 79 7.086 5.189 -1.951 488 HB2 CYS 79 HB1 CYS 79 9.110 5.634 0.113 489 HB3 CYS 79 HB2 CYS 79 9.344 4.117 -0.758 490 H CYS 80 H CYS 80 7.045 3.055 -2.595 491 HA CYS 80 HA CYS 80 5.463 1.264 -1.215 492 HB2 CYS 80 HB1 CYS 80 7.239 1.161 -3.557 493 HB3 CYS 80 HB2 CYS 80 7.023 -0.396 -2.753 494 HA PRO 81 HA PRO 81 7.907 -0.731 1.833 495 HB2 PRO 81 HB1 PRO 81 7.080 -3.335 1.645 496 HB3 PRO 81 HB2 PRO 81 6.080 -2.042 2.306 497 HG2 PRO 81 HG1 PRO 81 6.093 -3.217 -0.455 498 HG3 PRO 81 HG2 PRO 81 4.693 -2.821 0.610 499 HD2 PRO 81 HD1 PRO 81 5.467 -1.224 -1.444 500 HD3 PRO 81 HD2 PRO 81 4.777 -0.586 0.056 501 H GLY 82 H GLY 82 9.840 -1.778 2.127 502 HA2 GLY 82 HA2 GLY 82 11.552 -3.321 1.564 503 HA3 GLY 82 HA3 GLY 82 10.901 -3.409 -0.066 504 HA1 GLY 82 HA1 GLY 82 11.459 -2.464 1.755 505 H THR 83 H THR 83 10.737 -0.344 0.056 506 HA THR 83 HA THR 83 13.580 0.128 -0.566 507 HB THR 83 HB THR 83 12.565 2.044 -2.016 508 HG1 THR 83 HG1 THR 83 10.482 1.356 -2.864 509 HG21 THR 83 HG21 THR 83 13.150 -0.731 -2.535 510 HG22 THR 83 HG22 THR 83 13.461 0.684 -3.541 511 HG23 THR 83 HG23 THR 83 11.907 -0.143 -3.636 512 H LEU 84 H LEU 84 14.083 2.575 -0.530 513 HA LEU 84 HA LEU 84 12.720 3.885 1.717 514 HB2 LEU 84 HB1 LEU 84 15.681 3.420 1.388 515 HB3 LEU 84 HB2 LEU 84 15.020 4.672 2.454 516 HG LEU 84 HG LEU 84 14.148 1.834 2.802 517 HD11 LEU 84 HD11 LEU 84 16.143 2.061 4.619 518 HD12 LEU 84 HD12 LEU 84 16.850 2.900 3.240 519 HD13 LEU 84 HD13 LEU 84 16.295 1.234 3.070 520 HD21 LEU 84 HD21 LEU 84 14.081 2.619 5.185 521 HD22 LEU 84 HD22 LEU 84 12.962 3.440 4.096 522 HD23 LEU 84 HD23 LEU 84 14.457 4.237 4.591 523 H CYS 85 H CYS 85 13.089 6.204 1.829 524 HA CYS 85 HA CYS 85 13.328 7.347 -0.848 525 HB2 CYS 85 HB1 CYS 85 11.371 7.824 0.718 526 HB3 CYS 85 HB2 CYS 85 12.502 8.787 1.672 527 H VAL 86 H VAL 86 15.468 7.574 -1.293 528 HA VAL 86 HA VAL 86 17.075 9.151 0.610 529 HB VAL 86 HB VAL 86 18.129 7.308 -1.537 530 HG11 VAL 86 HG11 VAL 86 20.195 7.509 -0.012 531 HG12 VAL 86 HG12 VAL 86 19.803 8.860 -1.078 532 HG13 VAL 86 HG13 VAL 86 19.393 8.940 0.636 533 HG21 VAL 86 HG21 VAL 86 16.894 6.055 0.177 534 HG22 VAL 86 HG22 VAL 86 18.626 5.724 0.239 535 HG23 VAL 86 HG23 VAL 86 17.891 6.799 1.428 536 H ASN 87 H ASN 87 18.099 10.970 -0.081 537 HA ASN 87 HA ASN 87 18.477 12.825 -1.344 538 HB2 ASN 87 HB1 ASN 87 19.682 10.807 -2.619 539 HB3 ASN 87 HB2 ASN 87 18.510 11.245 -3.867 540 HD21 ASN 87 HD21 ASN 87 21.253 11.485 -4.219 541 HD22 ASN 87 HD22 ASN 87 21.650 13.160 -4.368 542 H ASP 88 H ASP 88 15.756 12.146 -0.867 543 HA ASP 88 HA ASP 88 13.668 12.820 -1.467 544 HB2 ASP 88 HB1 ASP 88 15.420 14.755 -2.507 545 HB3 ASP 88 HB2 ASP 88 14.289 14.389 -3.816 546 HD2 ASP 88 HD ASP 88 12.929 16.270 -0.624 547 H VAL 89 H VAL 89 15.003 10.487 -2.736 548 HA VAL 89 HA VAL 89 13.017 10.067 -4.824 549 HB VAL 89 HB VAL 89 15.963 9.636 -5.337 550 HG11 VAL 89 HG11 VAL 89 13.583 9.130 -7.120 551 HG12 VAL 89 HG12 VAL 89 15.278 8.920 -7.564 552 HG13 VAL 89 HG13 VAL 89 14.556 7.892 -6.326 553 HG21 VAL 89 HG21 VAL 89 15.330 11.986 -5.481 554 HG22 VAL 89 HG22 VAL 89 15.697 11.336 -7.078 555 HG23 VAL 89 HG23 VAL 89 14.019 11.576 -6.588 556 H CYS 90 H CYS 90 12.415 7.940 -5.078 557 HA CYS 90 HA CYS 90 12.876 6.195 -2.904 558 HB2 CYS 90 HB1 CYS 90 11.030 6.377 -4.962 559 HB3 CYS 90 HB2 CYS 90 11.909 4.894 -5.338 560 H THR 91 H THR 91 14.095 4.347 -2.715 561 HA THR 91 HA THR 91 15.744 3.459 -4.934 562 HB THR 91 HB THR 91 17.064 5.283 -3.856 563 HG1 THR 91 HG1 THR 91 18.809 4.138 -4.278 564 HG21 THR 91 HG21 THR 91 17.053 3.406 -1.488 565 HG22 THR 91 HG22 THR 91 16.304 5.001 -1.558 566 HG23 THR 91 HG23 THR 91 18.059 4.845 -1.647 567 H THR 92 H THR 92 16.882 1.451 -4.467 568 HA THR 92 HA THR 92 15.266 -0.321 -2.903 569 HB THR 92 HB THR 92 17.321 -1.904 -3.533 570 HG1 THR 92 HG1 THR 92 18.680 -0.964 -4.842 571 HG21 THR 92 HG21 THR 92 14.919 -1.010 -4.995 572 HG22 THR 92 HG22 THR 92 15.422 -2.633 -4.524 573 HG23 THR 92 HG23 THR 92 16.120 -1.874 -5.954 574 H MET 93 H MET 93 16.061 -1.730 -1.217 575 HA MET 93 HA MET 93 17.372 -0.351 0.850 576 HB2 MET 93 HB1 MET 93 16.163 -2.963 0.446 577 HB3 MET 93 HB2 MET 93 17.609 -3.062 1.461 578 HG2 MET 93 HG1 MET 93 16.623 -1.195 2.856 579 HG3 MET 93 HG2 MET 93 15.131 -1.440 1.945 580 HE1 MET 93 HE1 MET 93 17.002 -3.600 5.279 581 HE2 MET 93 HE2 MET 93 17.068 -1.938 4.696 582 HE3 MET 93 HE3 MET 93 15.693 -2.482 5.658 583 H GLU 94 H GLU 94 18.547 -2.480 -1.653 584 HA GLU 94 HA GLU 94 21.077 -3.040 -0.500 585 HB2 GLU 94 HB1 GLU 94 20.037 -3.132 -3.332 586 HB3 GLU 94 HB2 GLU 94 21.701 -3.569 -2.919 587 HG2 GLU 94 HG1 GLU 94 20.237 -5.042 -1.120 588 HG3 GLU 94 HG2 GLU 94 19.237 -5.078 -2.579 589 HE2 GLU 94 HE GLU 94 22.078 -6.565 -4.303 590 H ASP 95 H ASP 95 19.794 -0.356 -2.285 591 HA ASP 95 HA ASP 95 22.409 0.762 -2.858 592 HB2 ASP 95 HB1 ASP 95 19.705 1.170 -3.787 593 HB3 ASP 95 HB2 ASP 95 20.427 2.712 -3.307 594 HD2 ASP 95 HD ASP 95 22.599 2.712 -5.983 595 H ALA 96 H ALA 96 19.637 1.480 -0.767 596 HA ALA 96 HA ALA 96 20.839 3.781 0.422 597 HB1 ALA 96 HB1 ALA 96 18.620 2.162 1.638 598 HB2 ALA 96 HB2 ALA 96 18.942 3.889 1.804 599 HB3 ALA 96 HB3 ALA 96 18.355 3.244 0.270 600 H THR 97 H THR 97 22.250 3.897 2.043 601 HA THR 97 HA THR 97 23.632 3.317 3.757 602 HB THR 97 HB THR 97 21.779 1.054 4.459 603 HG1 THR 97 HG1 THR 97 20.276 2.436 5.070 604 HG21 THR 97 HG21 THR 97 22.426 1.625 6.739 605 HG22 THR 97 HG22 THR 97 23.383 2.982 6.145 606 HG23 THR 97 HG23 THR 97 23.856 1.330 5.752 607 H GLU 98 H GLU 98 25.432 2.575 2.747 608 HA GLU 98 HA GLU 98 25.542 -0.309 2.151 609 HB2 GLU 98 HB1 GLU 98 26.086 1.869 0.473 610 HB3 GLU 98 HB2 GLU 98 27.670 1.218 0.923 611 HG2 GLU 98 HG1 GLU 98 26.829 -1.051 0.238 612 HG3 GLU 98 HG2 GLU 98 25.409 -0.230 -0.425 613 HE2 GLU 98 HE GLU 98 27.161 0.919 -3.173 614 H ASN 99 H ASN 99 26.796 -1.466 3.442 615 HA ASN 99 HA ASN 99 28.851 -0.081 5.023 616 HB2 ASN 99 HB1 ASN 99 26.823 -1.792 5.819 617 HB3 ASN 99 HB2 ASN 99 28.251 -2.836 5.797 618 HD21 ASN 99 HD21 ASN 99 26.507 -1.357 7.898 619 HD22 ASN 99 HD22 ASN 99 27.687 -0.724 8.989 620 H LEU 100 H LEU 100 30.477 -2.086 5.782 621 HA LEU 100 HA LEU 100 32.299 -3.294 5.159 622 HB2 LEU 100 HB1 LEU 100 30.200 -4.533 4.013 623 HB3 LEU 100 HB2 LEU 100 31.135 -4.107 2.569 624 HG LEU 100 HG LEU 100 32.834 -5.325 4.558 625 HD11 LEU 100 HD11 LEU 100 30.933 -6.497 5.369 626 HD12 LEU 100 HD12 LEU 100 31.826 -7.609 4.332 627 HD13 LEU 100 HD13 LEU 100 30.361 -6.831 3.734 628 HD21 LEU 100 HD21 LEU 100 32.249 -6.776 2.088 629 HD22 LEU 100 HD22 LEU 100 33.785 -6.186 2.723 630 HD23 LEU 100 HD23 LEU 100 32.717 -5.093 1.839 631 H TYR 101 H TYR 101 33.882 -3.637 3.227 632 HA TYR 101 HA TYR 101 33.898 -1.624 1.197 633 HB2 TYR 101 HB1 TYR 101 36.007 -0.516 2.004 634 HB3 TYR 101 HB2 TYR 101 34.564 -0.146 2.953 635 HD1 TYR 101 HD1 TYR 101 34.453 -0.618 5.261 636 HD2 TYR 101 HD2 TYR 101 37.634 -2.224 2.936 637 HE1 TYR 101 HE1 TYR 101 35.588 -1.339 7.322 638 HE2 TYR 101 HE2 TYR 101 38.776 -2.951 4.989 639 HH TYR 101 HH TYR 101 37.249 -2.992 8.026 640 H PHE 102 H PHE 102 36.331 -1.531 0.294 641 HA PHE 102 HA PHE 102 37.036 -4.334 -0.168 642 HB2 PHE 102 HB1 PHE 102 36.953 -1.952 -1.798 643 HB3 PHE 102 HB2 PHE 102 38.562 -2.673 -1.855 644 HD1 PHE 102 HD1 PHE 102 38.911 -4.024 -3.664 645 HD2 PHE 102 HD2 PHE 102 35.069 -3.995 -1.831 646 HE1 PHE 102 HE1 PHE 102 38.129 -5.705 -5.282 647 HE2 PHE 102 HE2 PHE 102 34.282 -5.676 -3.447 648 HZ PHE 102 HZ PHE 102 35.813 -6.534 -5.175 649 H GLN 103 H GLN 103 39.175 -5.081 -0.036 650 HA GLN 103 HA GLN 103 40.853 -3.515 1.794 651 HB2 GLN 103 HB1 GLN 103 41.937 -5.613 2.377 652 HB3 GLN 103 HB2 GLN 103 40.182 -5.755 2.563 653 HG2 GLN 103 HG1 GLN 103 39.994 -6.980 0.501 654 HG3 GLN 103 HG2 GLN 103 41.714 -6.732 0.166 655 HE21 GLN 103 HE21 GLN 103 43.026 -8.320 0.694 656 HE22 GLN 103 HE22 GLN 103 42.707 -9.563 1.850 657 H SER 104 H SER 104 43.304 -4.342 1.490 658 HA SER 104 HA SER 104 43.959 -3.679 -1.297 659 HB2 SER 104 HB1 SER 104 46.142 -3.611 0.682 660 HB3 SER 104 HB2 SER 104 45.674 -2.412 -0.536 661 HG SER 104 HG SER 104 44.968 -2.587 2.116 662 H LEU 105 H LEU 105 46.490 -4.504 -1.562 663 HA LEU 105 HA LEU 105 46.208 -7.411 -1.531 664 HB2 LEU 105 HB1 LEU 105 46.853 -5.952 -3.580 665 HB3 LEU 105 HB2 LEU 105 48.457 -5.918 -2.827 666 HG LEU 105 HG LEU 105 47.089 -8.522 -3.417 667 HD11 LEU 105 HD11 LEU 105 48.788 -6.906 -5.311 668 HD12 LEU 105 HD12 LEU 105 47.079 -7.294 -5.508 669 HD13 LEU 105 HD13 LEU 105 48.286 -8.579 -5.556 670 HD21 LEU 105 HD21 LEU 105 49.640 -7.653 -2.383 671 HD22 LEU 105 HD22 LEU 105 49.841 -8.662 -3.816 672 HD23 LEU 105 HD23 LEU 105 48.935 -9.269 -2.429 673 H GLU 106 H GLU 106 48.168 -4.850 -0.194 674 HA GLU 106 HA GLU 106 49.768 -4.823 1.422 675 HB2 GLU 106 HB1 GLU 106 48.887 -7.653 2.029 676 HB3 GLU 106 HB2 GLU 106 49.721 -6.533 3.117 677 HG2 GLU 106 HG1 GLU 106 47.785 -5.784 3.870 678 HG3 GLU 106 HG2 GLU 106 47.348 -5.266 2.236 679 HE2 GLU 106 HE GLU 106 46.161 -8.967 2.991 680 H HIS 107 H HIS 107 51.586 -6.540 2.386 681 HA HIS 107 HA HIS 107 52.858 -7.775 0.039 682 HB2 HIS 107 HB1 HIS 107 53.756 -5.472 1.513 683 HB3 HIS 107 HB2 HIS 107 54.918 -6.788 1.706 684 HD1 HIS 107 HD1 HIS 107 55.050 -8.057 -0.987 685 HD2 HIS 107 HD2 HIS 107 54.755 -3.943 -0.492 686 HE1 HIS 107 HE1 HIS 107 55.948 -7.058 -3.114 687 HE2 HIS 107 HE2 HIS 107 55.767 -4.544 -2.812 688 H HIS 108 H HIS 108 54.942 -9.005 0.903 689 HA HIS 108 HA HIS 108 54.176 -10.479 3.334 690 HB2 HIS 108 HB1 HIS 108 54.007 -11.516 0.805 691 HB3 HIS 108 HB2 HIS 108 55.625 -12.028 1.293 692 HD1 HIS 108 HD1 HIS 108 52.016 -12.558 2.103 693 HD2 HIS 108 HD2 HIS 108 55.735 -13.938 3.339 694 HE1 HIS 108 HE1 HIS 108 51.544 -14.570 3.535 695 HE2 HIS 108 HE2 HIS 108 53.817 -15.414 4.292 696 H HIS 109 H HIS 109 55.972 -11.619 4.377 697 HA HIS 109 HA HIS 109 58.665 -11.231 3.705 698 HB2 HIS 109 HB1 HIS 109 57.506 -8.886 4.667 699 HB3 HIS 109 HB2 HIS 109 58.358 -9.554 6.064 700 HD1 HIS 109 HD1 HIS 109 59.414 -9.452 2.408 701 HD2 HIS 109 HD2 HIS 109 60.710 -8.224 6.159 702 HE1 HIS 109 HE1 HIS 109 61.686 -8.439 2.036 703 HE2 HIS 109 HE2 HIS 109 62.479 -7.689 4.329 704 H HIS 110 H HIS 110 60.027 -11.335 5.950 705 HA HIS 110 HA HIS 110 60.636 -12.670 7.689 706 HB2 HIS 110 HB1 HIS 110 58.353 -11.557 8.487 707 HB3 HIS 110 HB2 HIS 110 57.798 -13.233 8.416 708 HD1 HIS 110 HD1 HIS 110 61.170 -11.988 9.638 709 HD2 HIS 110 HD2 HIS 110 57.783 -13.942 11.042 710 HE1 HIS 110 HE1 HIS 110 61.717 -12.672 11.995 711 HE2 HIS 110 HE2 HIS 110 59.647 -13.866 12.854 712 H HIS 111 H HIS 111 60.336 -14.932 8.638 713 HA HIS 111 HA HIS 111 59.711 -16.762 6.423 714 HB2 HIS 111 HB1 HIS 111 61.987 -16.518 8.039 715 HB3 HIS 111 HB2 HIS 111 61.165 -17.970 8.622 716 HD1 HIS 111 HD1 HIS 111 60.638 -19.825 6.728 717 HD2 HIS 111 HD2 HIS 111 63.419 -16.902 5.738 718 HE1 HIS 111 HE1 HIS 111 61.892 -20.734 4.747 719 HE2 HIS 111 HE2 HIS 111 63.591 -18.947 4.140 720 H HIS 112 H HIS 112 59.789 -16.975 9.985 721 HA HIS 112 HA HIS 112 57.037 -17.899 10.015 722 HB2 HIS 112 HB1 HIS 112 59.229 -19.729 10.068 723 HB3 HIS 112 HB2 HIS 112 58.469 -19.732 11.662 724 HD1 HIS 112 HD1 HIS 112 57.375 -20.071 8.033 725 HD2 HIS 112 HD2 HIS 112 56.301 -21.342 11.841 726 HE1 HIS 112 HE1 HIS 112 55.467 -21.673 7.694 727 HE2 HIS 112 HE2 HIS 112 54.809 -22.449 10.021 Start of MODEL 59 1 H1 MET 18 H MET 18 -73.245 16.540 20.090 2 HA MET 18 HA MET 18 -72.557 17.927 17.947 3 HB2 MET 18 HB1 MET 18 -73.221 18.642 20.658 4 HB3 MET 18 HB2 MET 18 -72.061 19.803 19.993 5 HG2 MET 18 HG1 MET 18 -73.728 19.706 17.918 6 HG3 MET 18 HG2 MET 18 -74.858 19.253 19.197 7 HE1 MET 18 HE1 MET 18 -74.815 23.133 17.877 8 HE2 MET 18 HE2 MET 18 -73.165 22.596 17.564 9 HE3 MET 18 HE3 MET 18 -74.527 21.570 17.112 10 H LEU 19 H LEU 19 -70.626 17.570 16.952 11 HA LEU 19 HA LEU 19 -68.324 18.938 18.069 12 HB2 LEU 19 HB1 LEU 19 -66.833 16.976 17.598 13 HB3 LEU 19 HB2 LEU 19 -67.921 16.797 18.986 14 HG LEU 19 HG LEU 19 -69.290 15.688 16.803 15 HD11 LEU 19 HD11 LEU 19 -66.364 15.259 16.655 16 HD12 LEU 19 HD12 LEU 19 -67.575 15.277 15.375 17 HD13 LEU 19 HD13 LEU 19 -67.406 13.858 16.409 18 HD21 LEU 19 HD21 LEU 19 -68.770 13.546 18.065 19 HD22 LEU 19 HD22 LEU 19 -69.572 14.827 18.974 20 HD23 LEU 19 HD23 LEU 19 -67.841 14.551 19.178 21 H VAL 20 H VAL 20 -68.355 20.365 16.379 22 HA VAL 20 HA VAL 20 -68.512 19.465 13.644 23 HB VAL 20 HB VAL 20 -67.778 22.219 14.643 24 HG11 VAL 20 HG11 VAL 20 -68.150 21.024 12.019 25 HG12 VAL 20 HG12 VAL 20 -69.175 22.438 12.273 26 HG13 VAL 20 HG13 VAL 20 -67.426 22.569 12.467 27 HG21 VAL 20 HG21 VAL 20 -70.181 22.751 14.292 28 HG22 VAL 20 HG22 VAL 20 -70.490 21.028 14.071 29 HG23 VAL 20 HG23 VAL 20 -69.894 21.626 15.620 30 H LEU 21 H LEU 21 -66.881 19.153 12.234 31 HA LEU 21 HA LEU 21 -64.207 18.952 13.261 32 HB2 LEU 21 HB1 LEU 21 -65.692 18.030 10.949 33 HB3 LEU 21 HB2 LEU 21 -64.096 18.653 10.495 34 HG LEU 21 HG LEU 21 -64.614 16.467 12.509 35 HD11 LEU 21 HD11 LEU 21 -63.989 16.472 9.603 36 HD12 LEU 21 HD12 LEU 21 -65.013 15.384 10.539 37 HD13 LEU 21 HD13 LEU 21 -63.259 15.229 10.620 38 HD21 LEU 21 HD21 LEU 21 -62.627 17.361 13.230 39 HD22 LEU 21 HD22 LEU 21 -62.166 17.917 11.621 40 HD23 LEU 21 HD23 LEU 21 -62.050 16.205 12.029 41 H ASP 22 H ASP 22 -62.350 20.011 12.397 42 HA ASP 22 HA ASP 22 -62.661 22.287 10.665 43 HB2 ASP 22 HB1 ASP 22 -61.530 23.771 12.516 44 HB3 ASP 22 HB2 ASP 22 -63.286 23.568 12.485 45 HD2 ASP 22 HD ASP 22 -63.256 22.260 15.633 46 H PHE 23 H PHE 23 -61.188 20.287 9.971 47 HA PHE 23 HA PHE 23 -58.418 21.030 10.645 48 HB2 PHE 23 HB1 PHE 23 -59.068 18.777 11.476 49 HB3 PHE 23 HB2 PHE 23 -59.413 18.298 9.813 50 HD1 PHE 23 HD1 PHE 23 -57.666 17.817 8.247 51 HD2 PHE 23 HD2 PHE 23 -56.751 19.154 12.183 52 HE1 PHE 23 HE1 PHE 23 -55.319 17.152 7.923 53 HE2 PHE 23 HE2 PHE 23 -54.403 18.492 11.864 54 HZ PHE 23 HZ PHE 23 -53.683 17.491 9.733 55 H ASN 24 H ASN 24 -57.327 21.894 9.018 56 HA ASN 24 HA ASN 24 -57.216 20.848 6.419 57 HB2 ASN 24 HB1 ASN 24 -58.343 22.711 5.188 58 HB3 ASN 24 HB2 ASN 24 -59.452 21.678 6.097 59 HD21 ASN 24 HD21 ASN 24 -58.595 24.811 5.445 60 HD22 ASN 24 HD22 ASN 24 -59.389 25.593 6.764 61 H ASN 25 H ASN 25 -55.112 21.327 7.713 62 HA ASN 25 HA ASN 25 -53.968 23.735 6.533 63 HB2 ASN 25 HB1 ASN 25 -54.769 23.884 9.117 64 HB3 ASN 25 HB2 ASN 25 -53.128 23.257 9.331 65 HD21 ASN 25 HD21 ASN 25 -54.931 25.804 7.668 66 HD22 ASN 25 HD22 ASN 25 -53.685 26.996 7.773 67 H ILE 26 H ILE 26 -52.173 23.175 5.508 68 HA ILE 26 HA ILE 26 -50.628 20.881 6.529 69 HB ILE 26 HB ILE 26 -49.893 20.472 4.213 70 HG12 ILE 26 HG11 ILE 26 -50.484 22.964 3.617 71 HG13 ILE 26 HG12 ILE 26 -50.601 21.696 2.385 72 HG21 ILE 26 HG21 ILE 26 -52.161 19.710 3.347 73 HG22 ILE 26 HG22 ILE 26 -51.667 19.108 4.928 74 HG23 ILE 26 HG23 ILE 26 -52.836 20.424 4.812 75 HD11 ILE 26 HD11 ILE 26 -52.870 21.773 2.306 76 HD12 ILE 26 HD12 ILE 26 -53.024 22.286 3.988 77 HD13 ILE 26 HD13 ILE 26 -52.534 23.445 2.753 78 H ARG 27 H ARG 27 -48.300 20.925 5.864 79 HA ARG 27 HA ARG 27 -47.238 23.648 5.613 80 HB2 ARG 27 HB1 ARG 27 -45.521 23.131 7.329 81 HB3 ARG 27 HB2 ARG 27 -47.165 23.178 7.978 82 HG2 ARG 27 HG1 ARG 27 -46.494 20.502 7.143 83 HG3 ARG 27 HG2 ARG 27 -45.289 21.139 8.276 84 HD2 ARG 27 HD1 ARG 27 -48.134 21.628 8.964 85 HD3 ARG 27 HD2 ARG 27 -47.566 19.955 9.060 86 HE ARG 27 HE ARG 27 -46.886 22.106 10.823 87 HH11 ARG 27 HH11 ARG 27 -45.792 19.084 9.486 88 HH12 ARG 27 HH12 ARG 27 -44.739 18.727 10.814 89 HH21 ARG 27 HH21 ARG 27 -45.503 21.647 12.579 90 HH22 ARG 27 HH22 ARG 27 -44.577 20.186 12.574 91 H SER 28 H SER 28 -47.316 22.184 3.437 92 HA SER 28 HA SER 28 -45.239 20.329 3.025 93 HB2 SER 28 HB1 SER 28 -46.248 22.106 0.816 94 HB3 SER 28 HB2 SER 28 -45.820 20.387 0.764 95 HG SER 28 HG SER 28 -48.206 21.307 0.971 96 H SER 29 H SER 29 -43.142 20.712 3.224 97 HA SER 29 HA SER 29 -42.107 23.386 2.600 98 HB2 SER 29 HB1 SER 29 -39.977 22.194 3.704 99 HB3 SER 29 HB2 SER 29 -41.254 22.942 4.680 100 HG SER 29 HG SER 29 -41.565 21.048 5.506 101 H ALA 30 H ALA 30 -40.041 23.546 1.470 102 HA ALA 30 HA ALA 30 -39.165 21.287 -0.102 103 HB1 ALA 30 HB1 ALA 30 -39.555 23.262 -2.065 104 HB2 ALA 30 HB2 ALA 30 -40.359 21.698 -1.925 105 HB3 ALA 30 HB3 ALA 30 -41.074 23.127 -1.179 106 H ASP 31 H ASP 31 -37.109 21.538 0.652 107 HA ASP 31 HA ASP 31 -35.510 23.581 -0.545 108 HB2 ASP 31 HB1 ASP 31 -36.481 23.950 2.185 109 HB3 ASP 31 HB2 ASP 31 -34.715 23.974 2.085 110 HD2 ASP 31 HD ASP 31 -36.662 27.099 0.855 111 H LEU 32 H LEU 32 -34.238 21.976 -1.369 112 HA LEU 32 HA LEU 32 -32.679 20.433 0.595 113 HB2 LEU 32 HB1 LEU 32 -34.490 19.335 -1.142 114 HB3 LEU 32 HB2 LEU 32 -32.976 19.216 -2.055 115 HG LEU 32 HG LEU 32 -32.177 18.206 0.317 116 HD11 LEU 32 HD11 LEU 32 -33.831 16.867 1.321 117 HD12 LEU 32 HD12 LEU 32 -34.976 17.157 0.012 118 HD13 LEU 32 HD13 LEU 32 -34.567 18.458 1.130 119 HD21 LEU 32 HD21 LEU 32 -33.580 16.332 -1.510 120 HD22 LEU 32 HD22 LEU 32 -31.961 16.241 -0.816 121 HD23 LEU 32 HD23 LEU 32 -32.278 17.319 -2.176 122 H HIS 33 H HIS 33 -30.607 20.960 0.523 123 HA HIS 33 HA HIS 33 -29.332 21.451 -2.059 124 HB2 HIS 33 HB1 HIS 33 -30.024 23.533 -0.293 125 HB3 HIS 33 HB2 HIS 33 -28.282 23.306 -0.114 126 HD1 HIS 33 HD1 HIS 33 -30.356 23.100 -3.292 127 HD2 HIS 33 HD2 HIS 33 -27.227 25.279 -1.645 128 HE1 HIS 33 HE1 HIS 33 -29.562 24.628 -5.126 129 HE2 HIS 33 HE2 HIS 33 -27.650 25.960 -4.120 130 H GLY 34 H GLY 34 -26.874 21.680 -1.730 131 HA2 GLY 34 HA2 GLY 34 -24.935 21.090 -0.471 132 HA3 GLY 34 HA3 GLY 34 -25.945 20.080 0.552 133 HA1 GLY 34 HA1 GLY 34 -25.293 20.964 -1.268 134 H ALA 35 H ALA 35 -25.756 17.970 0.250 135 HA ALA 35 HA ALA 35 -25.192 15.960 -0.662 136 HB1 ALA 35 HB1 ALA 35 -25.798 15.698 -3.113 137 HB2 ALA 35 HB2 ALA 35 -27.098 16.180 -2.024 138 HB3 ALA 35 HB3 ALA 35 -26.322 17.381 -3.056 139 H ARG 36 H ARG 36 -23.094 17.895 -0.410 140 HA ARG 36 HA ARG 36 -21.409 17.290 -2.742 141 HB2 ARG 36 HB1 ARG 36 -19.913 19.097 -1.766 142 HB3 ARG 36 HB2 ARG 36 -21.474 19.630 -2.407 143 HG2 ARG 36 HG1 ARG 36 -22.326 20.143 -0.343 144 HG3 ARG 36 HG2 ARG 36 -21.277 18.981 0.489 145 HD2 ARG 36 HD1 ARG 36 -19.853 21.166 -0.888 146 HD3 ARG 36 HD2 ARG 36 -20.882 21.668 0.461 147 HE ARG 36 HE ARG 36 -18.429 20.180 0.618 148 HH11 ARG 36 HH11 ARG 36 -21.441 20.908 2.206 149 HH12 ARG 36 HH12 ARG 36 -20.848 20.529 3.789 150 HH21 ARG 36 HH21 ARG 36 -17.638 19.678 2.698 151 HH22 ARG 36 HH22 ARG 36 -18.684 19.830 4.068 152 H LYS 37 H LYS 37 -19.306 16.484 -2.453 153 HA LYS 37 HA LYS 37 -18.355 15.766 0.167 154 HB2 LYS 37 HB1 LYS 37 -20.098 13.985 -0.757 155 HB3 LYS 37 HB2 LYS 37 -18.674 13.421 -1.648 156 HG2 LYS 37 HG1 LYS 37 -18.006 12.297 0.135 157 HG3 LYS 37 HG2 LYS 37 -17.867 13.823 1.026 158 HD2 LYS 37 HD1 LYS 37 -20.488 13.537 1.262 159 HD3 LYS 37 HD2 LYS 37 -20.082 11.831 1.009 160 HE2 LYS 37 HE1 LYS 37 -19.036 11.628 3.015 161 HE3 LYS 37 HE2 LYS 37 -18.404 13.280 2.958 162 HZ1 LYS 37 HZ1 LYS 37 -20.224 12.681 4.664 163 HZ2 LYS 37 HZ2 LYS 37 -21.287 12.832 3.357 164 HZ3 LYS 37 HZ3 LYS 37 -20.336 14.149 3.829 165 H GLY 38 H GLY 38 -16.408 16.702 -0.198 166 HA2 GLY 38 HA2 GLY 38 -14.940 15.953 -2.633 167 HA3 GLY 38 HA3 GLY 38 -14.575 17.329 -1.602 168 HA1 GLY 38 HA1 GLY 38 -15.184 15.341 -2.048 169 H SER 39 H SER 39 -14.632 13.776 -1.596 170 HA SER 39 HA SER 39 -11.997 13.645 -0.497 171 HB2 SER 39 HB1 SER 39 -14.173 13.781 1.348 172 HB3 SER 39 HB2 SER 39 -13.513 12.137 1.394 173 HG SER 39 HG SER 39 -11.391 13.254 1.551 174 H GLN 40 H GLN 40 -11.092 11.916 -1.381 175 HA GLN 40 HA GLN 40 -12.831 9.710 -2.249 176 HB2 GLN 40 HB1 GLN 40 -10.457 11.029 -3.399 177 HB3 GLN 40 HB2 GLN 40 -10.463 9.262 -3.517 178 HG2 GLN 40 HG1 GLN 40 -11.481 9.843 -5.488 179 HG3 GLN 40 HG2 GLN 40 -12.874 9.593 -4.426 180 HE21 GLN 40 HE21 GLN 40 -14.091 10.930 -5.831 181 HE22 GLN 40 HE22 GLN 40 -13.953 12.651 -5.758 182 H CYS 41 H CYS 41 -9.519 10.253 -1.042 183 HA CYS 41 HA CYS 41 -9.814 7.913 0.684 184 HB2 CYS 41 HB1 CYS 41 -7.494 7.161 0.006 185 HB3 CYS 41 HB2 CYS 41 -8.762 6.906 -1.193 186 H LEU 42 H LEU 42 -8.428 7.900 2.489 187 HA LEU 42 HA LEU 42 -7.325 10.541 3.126 188 HB2 LEU 42 HB1 LEU 42 -8.661 8.418 4.641 189 HB3 LEU 42 HB2 LEU 42 -7.226 9.080 5.444 190 HG LEU 42 HG LEU 42 -8.974 11.172 4.442 191 HD11 LEU 42 HD11 LEU 42 -10.515 10.533 6.561 192 HD12 LEU 42 HD12 LEU 42 -10.164 8.926 5.924 193 HD13 LEU 42 HD13 LEU 42 -10.922 10.139 4.891 194 HD21 LEU 42 HD21 LEU 42 -7.047 11.057 6.249 195 HD22 LEU 42 HD22 LEU 42 -8.403 10.705 7.321 196 HD23 LEU 42 HD23 LEU 42 -8.381 12.203 6.389 197 H SER 43 H SER 43 -6.463 7.193 2.732 198 HA SER 43 HA SER 43 -3.655 7.897 2.768 199 HB2 SER 43 HB1 SER 43 -4.900 6.709 5.065 200 HB3 SER 43 HB2 SER 43 -3.788 5.535 4.340 201 HG SER 43 HG SER 43 -3.182 8.173 5.184 202 H ASP 44 H ASP 44 -2.348 5.720 2.435 203 HA ASP 44 HA ASP 44 -3.146 4.688 -0.058 204 HB2 ASP 44 HB1 ASP 44 -1.220 3.269 0.063 205 HB3 ASP 44 HB2 ASP 44 -0.789 4.815 0.804 206 HD2 ASP 44 HD ASP 44 -0.308 1.653 2.933 207 H THR 45 H THR 45 -3.685 3.602 3.208 208 HA THR 45 HA THR 45 -4.340 0.928 2.755 209 HB THR 45 HB THR 45 -5.745 1.113 4.821 210 HG1 THR 45 HG1 THR 45 -6.288 3.031 5.538 211 HG21 THR 45 HG21 THR 45 -3.174 0.838 4.718 212 HG22 THR 45 HG22 THR 45 -3.918 1.261 6.260 213 HG23 THR 45 HG23 THR 45 -3.131 2.505 5.290 214 H ASP 46 H ASP 46 -6.094 3.830 2.056 215 HA ASP 46 HA ASP 46 -8.668 2.590 1.814 216 HB2 ASP 46 HB1 ASP 46 -8.190 5.059 2.277 217 HB3 ASP 46 HB2 ASP 46 -7.832 5.198 0.550 218 HD2 ASP 46 HD ASP 46 -11.153 5.286 -0.270 219 H CYS 47 H CYS 47 -5.936 3.098 -0.267 220 HA CYS 47 HA CYS 47 -7.257 2.772 -2.752 221 HB2 CYS 47 HB1 CYS 47 -4.638 3.295 -1.869 222 HB3 CYS 47 HB2 CYS 47 -4.535 1.802 -2.803 223 H ASN 48 H ASN 48 -6.193 0.831 -4.184 224 HA ASN 48 HA ASN 48 -7.421 -1.544 -3.093 225 HB2 ASN 48 HB1 ASN 48 -6.160 -0.881 -5.757 226 HB3 ASN 48 HB2 ASN 48 -6.725 -2.510 -5.358 227 HD21 ASN 48 HD21 ASN 48 -8.286 -2.490 -6.959 228 HD22 ASN 48 HD22 ASN 48 -9.730 -1.549 -6.831 229 H THR 49 H THR 49 -4.312 -1.171 -4.789 230 HA THR 49 HA THR 49 -2.721 -2.159 -2.676 231 HB THR 49 HB THR 49 -3.793 -4.287 -3.065 232 HG1 THR 49 HG1 THR 49 -1.837 -5.021 -2.750 233 HG21 THR 49 HG21 THR 49 -3.559 -3.489 -5.852 234 HG22 THR 49 HG22 THR 49 -4.637 -4.666 -5.102 235 HG23 THR 49 HG23 THR 49 -3.007 -5.140 -5.576 236 H ARG 50 H ARG 50 -0.484 -2.435 -3.283 237 HA ARG 50 HA ARG 50 1.398 -1.725 -4.346 238 HB2 ARG 50 HB1 ARG 50 -0.287 -2.486 -6.741 239 HB3 ARG 50 HB2 ARG 50 1.432 -2.073 -6.835 240 HG2 ARG 50 HG1 ARG 50 2.116 -4.035 -5.922 241 HG3 ARG 50 HG2 ARG 50 0.671 -4.182 -4.907 242 HD2 ARG 50 HD1 ARG 50 0.393 -5.893 -6.468 243 HD3 ARG 50 HD2 ARG 50 -0.590 -4.573 -7.117 244 HE ARG 50 HE ARG 50 1.804 -4.202 -8.324 245 HH11 ARG 50 HH11 ARG 50 -0.320 -6.942 -7.998 246 HH12 ARG 50 HH12 ARG 50 0.144 -7.647 -9.510 247 HH21 ARG 50 HH21 ARG 50 2.423 -5.122 -10.318 248 HH22 ARG 50 HH22 ARG 50 1.706 -6.611 -10.829 249 H LYS 51 H LYS 51 -0.765 0.218 -3.769 250 HA LYS 51 HA LYS 51 0.335 2.417 -5.297 251 HB2 LYS 51 HB1 LYS 51 -2.492 1.468 -5.581 252 HB3 LYS 51 HB2 LYS 51 -2.148 3.204 -5.673 253 HG2 LYS 51 HG1 LYS 51 -1.793 2.874 -7.846 254 HG3 LYS 51 HG2 LYS 51 -0.265 2.122 -7.354 255 HD2 LYS 51 HD1 LYS 51 -1.145 -0.053 -7.488 256 HD3 LYS 51 HD2 LYS 51 -2.815 0.540 -7.494 257 HE2 LYS 51 HE1 LYS 51 -1.944 1.769 -9.709 258 HE3 LYS 51 HE2 LYS 51 -0.846 0.382 -9.706 259 HZ1 LYS 51 HZ1 LYS 51 -2.949 -1.000 -9.390 260 HZ2 LYS 51 HZ2 LYS 51 -2.674 -0.337 -10.921 261 HZ3 LYS 51 HZ3 LYS 51 -3.794 0.383 -9.877 262 H PHE 52 H PHE 52 -0.628 4.543 -4.517 263 HA PHE 52 HA PHE 52 -1.446 4.361 -1.698 264 HB2 PHE 52 HB1 PHE 52 0.099 6.042 -1.025 265 HB3 PHE 52 HB2 PHE 52 1.018 4.860 -1.959 266 HD1 PHE 52 HD1 PHE 52 0.204 8.293 -1.610 267 HD2 PHE 52 HD2 PHE 52 1.409 5.360 -4.450 268 HE1 PHE 52 HE1 PHE 52 1.019 10.074 -3.100 269 HE2 PHE 52 HE2 PHE 52 2.226 7.136 -5.943 270 HZ PHE 52 HZ PHE 52 2.032 9.496 -5.269 271 H CYS 53 H CYS 53 -1.951 6.784 -0.955 272 HA CYS 53 HA CYS 53 -3.837 7.830 -2.957 273 HB2 CYS 53 HB1 CYS 53 -4.938 7.008 -0.958 274 HB3 CYS 53 HB2 CYS 53 -3.891 7.995 0.062 275 H LEU 54 H LEU 54 -2.740 9.393 -4.022 276 HA LEU 54 HA LEU 54 -0.940 11.192 -2.702 277 HB2 LEU 54 HB1 LEU 54 -0.528 10.560 -4.995 278 HB3 LEU 54 HB2 LEU 54 -2.115 11.187 -5.476 279 HG LEU 54 HG LEU 54 -1.173 13.465 -4.619 280 HD11 LEU 54 HD11 LEU 54 0.983 13.607 -4.105 281 HD12 LEU 54 HD12 LEU 54 1.456 12.729 -5.558 282 HD13 LEU 54 HD13 LEU 54 1.022 11.843 -4.097 283 HD21 LEU 54 HD21 LEU 54 0.144 12.604 -7.134 284 HD22 LEU 54 HD22 LEU 54 -0.835 14.032 -6.797 285 HD23 LEU 54 HD23 LEU 54 -1.612 12.467 -7.040 286 H GLN 55 H GLN 55 -1.260 13.280 -2.083 287 HA GLN 55 HA GLN 55 -3.953 14.406 -2.452 288 HB2 GLN 55 HB1 GLN 55 -3.638 15.414 -0.123 289 HB3 GLN 55 HB2 GLN 55 -4.013 13.687 -0.215 290 HG2 GLN 55 HG1 GLN 55 -1.637 13.149 0.083 291 HG3 GLN 55 HG2 GLN 55 -1.282 14.877 0.212 292 HE21 GLN 55 HE21 GLN 55 -2.936 12.186 1.727 293 HE22 GLN 55 HE22 GLN 55 -2.987 12.864 3.315 294 HA PRO 56 HA PRO 56 -0.903 17.466 -3.978 295 HB2 PRO 56 HB1 PRO 56 -2.560 18.463 -5.918 296 HB3 PRO 56 HB2 PRO 56 -1.568 17.021 -6.131 297 HG2 PRO 56 HG1 PRO 56 -4.464 17.246 -5.383 298 HG3 PRO 56 HG2 PRO 56 -3.677 16.152 -6.581 299 HD2 PRO 56 HD1 PRO 56 -4.416 15.324 -4.103 300 HD3 PRO 56 HD2 PRO 56 -2.987 14.689 -4.938 301 H ARG 57 H ARG 57 -0.848 19.711 -3.733 302 HA ARG 57 HA ARG 57 -2.757 20.767 -1.841 303 HB2 ARG 57 HB1 ARG 57 -1.288 22.754 -1.817 304 HB3 ARG 57 HB2 ARG 57 -0.405 21.251 -1.510 305 HG2 ARG 57 HG1 ARG 57 0.424 21.219 -3.790 306 HG3 ARG 57 HG2 ARG 57 -0.511 22.678 -4.159 307 HD2 ARG 57 HD1 ARG 57 1.264 22.911 -1.817 308 HD3 ARG 57 HD2 ARG 57 2.088 22.666 -3.363 309 HE ARG 57 HE ARG 57 0.684 25.019 -2.509 310 HH11 ARG 57 HH11 ARG 57 1.736 23.171 -5.267 311 HH12 ARG 57 HH12 ARG 57 1.736 24.531 -6.341 312 HH21 ARG 57 HH21 ARG 57 0.681 26.816 -3.913 313 HH22 ARG 57 HH22 ARG 57 1.136 26.603 -5.570 314 H ASP 58 H ASP 58 -2.105 21.012 -5.238 315 HA ASP 58 HA ASP 58 -3.814 23.348 -5.557 316 HB2 ASP 58 HB1 ASP 58 -1.604 22.508 -6.919 317 HB3 ASP 58 HB2 ASP 58 -2.900 21.922 -7.969 318 HD2 ASP 58 HD ASP 58 -3.657 25.089 -9.057 319 H GLU 59 H GLU 59 -3.984 19.912 -5.773 320 HA GLU 59 HA GLU 59 -6.697 20.131 -6.903 321 HB2 GLU 59 HB1 GLU 59 -4.452 18.540 -7.752 322 HB3 GLU 59 HB2 GLU 59 -5.784 17.485 -7.250 323 HG2 GLU 59 HG1 GLU 59 -7.257 18.377 -8.847 324 HG3 GLU 59 HG2 GLU 59 -6.203 19.767 -9.149 325 HE2 GLU 59 HE GLU 59 -4.398 18.060 -11.519 326 H LYS 60 H LYS 60 -7.842 17.846 -6.395 327 HA LYS 60 HA LYS 60 -7.972 17.761 -3.493 328 HB2 LYS 60 HB1 LYS 60 -9.735 16.998 -5.746 329 HB3 LYS 60 HB2 LYS 60 -9.846 15.980 -4.300 330 HG2 LYS 60 HG1 LYS 60 -10.502 17.796 -2.936 331 HG3 LYS 60 HG2 LYS 60 -10.068 18.973 -4.189 332 HD2 LYS 60 HD1 LYS 60 -12.019 16.982 -5.092 333 HD3 LYS 60 HD2 LYS 60 -12.587 17.979 -3.741 334 HE2 LYS 60 HE1 LYS 60 -12.776 19.819 -5.016 335 HE3 LYS 60 HE2 LYS 60 -11.219 19.521 -5.804 336 HZ1 LYS 60 HZ1 LYS 60 -13.873 18.450 -6.540 337 HZ2 LYS 60 HZ2 LYS 60 -12.447 17.729 -7.092 338 HZ3 LYS 60 HZ3 LYS 60 -12.793 19.335 -7.494 339 HA PRO 61 HA PRO 61 -5.875 13.958 -2.866 340 HB2 PRO 61 HB1 PRO 61 -7.407 12.744 -0.949 341 HB3 PRO 61 HB2 PRO 61 -6.390 14.149 -0.635 342 HG2 PRO 61 HG1 PRO 61 -9.332 14.021 -1.207 343 HG3 PRO 61 HG2 PRO 61 -8.456 14.965 0.054 344 HD2 PRO 61 HD1 PRO 61 -9.349 16.080 -2.255 345 HD3 PRO 61 HD2 PRO 61 -7.862 16.608 -1.449 346 H PHE 62 H PHE 62 -5.750 12.121 -3.990 347 HA PHE 62 HA PHE 62 -8.094 10.469 -4.417 348 HB2 PHE 62 HB1 PHE 62 -7.656 10.362 -6.904 349 HB3 PHE 62 HB2 PHE 62 -8.343 11.880 -6.322 350 HD1 PHE 62 HD1 PHE 62 -5.019 10.343 -7.020 351 HD2 PHE 62 HD2 PHE 62 -7.405 13.869 -6.992 352 HE1 PHE 62 HE1 PHE 62 -3.172 11.598 -8.053 353 HE2 PHE 62 HE2 PHE 62 -5.561 15.129 -8.025 354 HZ PHE 62 HZ PHE 62 -3.442 13.994 -8.558 355 H CYS 63 H CYS 63 -7.397 8.511 -5.867 356 HA CYS 63 HA CYS 63 -4.933 7.486 -4.677 357 HB2 CYS 63 HB1 CYS 63 -7.481 6.352 -5.523 358 HB3 CYS 63 HB2 CYS 63 -6.112 5.434 -6.152 359 H ALA 64 H ALA 64 -3.117 7.659 -5.797 360 HA ALA 64 HA ALA 64 -3.253 7.538 -8.739 361 HB1 ALA 64 HB1 ALA 64 -0.970 8.707 -8.559 362 HB2 ALA 64 HB2 ALA 64 -2.422 9.655 -8.232 363 HB3 ALA 64 HB3 ALA 64 -1.442 9.055 -6.895 364 H THR 65 H THR 65 -1.014 6.840 -9.663 365 HA THR 65 HA THR 65 -0.557 4.166 -8.729 366 HB THR 65 HB THR 65 1.424 5.064 -10.636 367 HG1 THR 65 HG1 THR 65 -0.245 5.447 -12.309 368 HG21 THR 65 HG21 THR 65 -0.906 3.226 -11.131 369 HG22 THR 65 HG22 THR 65 0.489 2.732 -10.172 370 HG23 THR 65 HG23 THR 65 0.697 3.188 -11.863 371 H CYS 66 H CYS 66 1.261 3.310 -7.777 372 HA CYS 66 HA CYS 66 2.711 4.933 -6.009 373 HB2 CYS 66 HB1 CYS 66 2.459 2.150 -6.584 374 HB3 CYS 66 HB2 CYS 66 4.179 2.539 -6.524 375 H ARG 67 H ARG 67 5.142 5.022 -5.931 376 HA ARG 67 HA ARG 67 6.123 5.882 -8.555 377 HB2 ARG 67 HB1 ARG 67 7.331 6.401 -5.831 378 HB3 ARG 67 HB2 ARG 67 7.772 7.178 -7.358 379 HG2 ARG 67 HG1 ARG 67 5.167 7.817 -7.296 380 HG3 ARG 67 HG2 ARG 67 5.493 7.698 -5.559 381 HD2 ARG 67 HD1 ARG 67 7.172 9.367 -5.643 382 HD3 ARG 67 HD2 ARG 67 7.247 9.290 -7.409 383 HE ARG 67 HE ARG 67 5.383 10.791 -5.823 384 HH11 ARG 67 HH11 ARG 67 5.929 9.259 -8.901 385 HH12 ARG 67 HH12 ARG 67 4.798 10.261 -9.748 386 HH21 ARG 67 HH21 ARG 67 3.890 12.116 -6.926 387 HH22 ARG 67 HH22 ARG 67 3.639 11.886 -8.623 388 H GLY 68 H GLY 68 8.007 5.108 -9.453 389 HA2 GLY 68 HA2 GLY 68 8.869 2.509 -8.465 390 HA3 GLY 68 HA3 GLY 68 9.296 3.235 -10.008 391 HA1 GLY 68 HA1 GLY 68 8.931 3.196 -7.914 392 H LEU 69 H LEU 69 11.363 2.134 -9.011 393 HA LEU 69 HA LEU 69 12.782 3.525 -6.998 394 HB2 LEU 69 HB1 LEU 69 13.622 1.628 -9.181 395 HB3 LEU 69 HB2 LEU 69 14.783 2.342 -8.047 396 HG LEU 69 HG LEU 69 12.470 0.548 -7.311 397 HD11 LEU 69 HD11 LEU 69 15.432 0.010 -7.205 398 HD12 LEU 69 HD12 LEU 69 14.360 -0.560 -8.483 399 HD13 LEU 69 HD13 LEU 69 14.126 -1.113 -6.825 400 HD21 LEU 69 HD21 LEU 69 14.094 2.372 -5.760 401 HD22 LEU 69 HD22 LEU 69 14.262 0.709 -5.198 402 HD23 LEU 69 HD23 LEU 69 12.665 1.452 -5.288 403 H ARG 70 H ARG 70 12.384 4.033 -10.408 404 HA ARG 70 HA ARG 70 14.565 5.973 -10.495 405 HB2 ARG 70 HB1 ARG 70 12.682 5.066 -12.688 406 HB3 ARG 70 HB2 ARG 70 14.118 6.080 -12.895 407 HG2 ARG 70 HG1 ARG 70 15.265 3.972 -11.706 408 HG3 ARG 70 HG2 ARG 70 13.902 3.164 -12.498 409 HD2 ARG 70 HD1 ARG 70 14.891 4.896 -14.444 410 HD3 ARG 70 HD2 ARG 70 16.331 4.249 -13.646 411 HE ARG 70 HE ARG 70 14.563 2.838 -15.380 412 HH11 ARG 70 HH11 ARG 70 16.672 2.476 -12.633 413 HH12 ARG 70 HH12 ARG 70 16.990 0.800 -12.935 414 HH21 ARG 70 HH21 ARG 70 14.974 0.631 -15.787 415 HH22 ARG 70 HH22 ARG 70 16.025 -0.248 -14.729 416 H ARG 71 H ARG 71 11.727 6.162 -9.188 417 HA ARG 71 HA ARG 71 10.898 8.679 -10.457 418 HB2 ARG 71 HB1 ARG 71 9.486 6.560 -8.914 419 HB3 ARG 71 HB2 ARG 71 8.910 8.222 -8.730 420 HG2 ARG 71 HG1 ARG 71 9.246 6.855 -11.398 421 HG3 ARG 71 HG2 ARG 71 7.731 6.893 -10.480 422 HD2 ARG 71 HD1 ARG 71 7.858 9.398 -10.499 423 HD3 ARG 71 HD2 ARG 71 9.250 9.252 -11.580 424 HE ARG 71 HE ARG 71 7.283 7.798 -12.799 425 HH11 ARG 71 HH11 ARG 71 7.598 11.075 -11.666 426 HH12 ARG 71 HH12 ARG 71 6.527 11.728 -12.860 427 HH21 ARG 71 HH21 ARG 71 5.871 8.648 -14.376 428 HH22 ARG 71 HH22 ARG 71 5.544 10.347 -14.400 429 H ARG 72 H ARG 72 10.440 10.520 -9.163 430 HA ARG 72 HA ARG 72 12.213 10.741 -6.872 431 HB2 ARG 72 HB1 ARG 72 10.489 12.886 -8.127 432 HB3 ARG 72 HB2 ARG 72 11.867 13.117 -7.040 433 HG2 ARG 72 HG1 ARG 72 12.799 11.600 -9.239 434 HG3 ARG 72 HG2 ARG 72 11.843 12.946 -9.880 435 HD2 ARG 72 HD1 ARG 72 13.270 14.233 -7.966 436 HD3 ARG 72 HD2 ARG 72 14.412 12.968 -8.438 437 HE ARG 72 HE ARG 72 13.502 14.058 -10.795 438 HH11 ARG 72 HH11 ARG 72 15.145 15.206 -7.950 439 HH12 ARG 72 HH12 ARG 72 15.997 16.460 -8.789 440 HH21 ARG 72 HH21 ARG 72 14.618 15.705 -11.911 441 HH22 ARG 72 HH22 ARG 72 15.695 16.744 -11.042 442 H CYS 73 H CYS 73 11.587 11.310 -4.798 443 HA CYS 73 HA CYS 73 8.705 11.341 -4.235 444 HB2 CYS 73 HB1 CYS 73 9.173 9.944 -2.194 445 HB3 CYS 73 HB2 CYS 73 9.330 9.095 -3.732 446 H GLN 74 H GLN 74 8.340 11.974 -1.853 447 HA GLN 74 HA GLN 74 10.241 14.112 -1.148 448 HB2 GLN 74 HB1 GLN 74 7.277 14.086 -1.352 449 HB3 GLN 74 HB2 GLN 74 7.980 15.004 -0.011 450 HG2 GLN 74 HG1 GLN 74 9.172 15.466 -2.678 451 HG3 GLN 74 HG2 GLN 74 7.518 16.043 -2.433 452 HE21 GLN 74 HE21 GLN 74 10.614 16.006 -0.695 453 HE22 GLN 74 HE22 GLN 74 10.520 17.641 -0.146 454 H ARG 75 H ARG 75 8.142 11.557 -0.002 455 HA ARG 75 HA ARG 75 9.472 11.725 2.617 456 HB2 ARG 75 HB1 ARG 75 6.554 11.100 2.105 457 HB3 ARG 75 HB2 ARG 75 7.359 10.994 3.678 458 HG2 ARG 75 HG1 ARG 75 7.308 13.217 4.020 459 HG3 ARG 75 HG2 ARG 75 7.618 13.583 2.315 460 HD2 ARG 75 HD1 ARG 75 5.142 12.549 2.093 461 HD3 ARG 75 HD2 ARG 75 5.055 13.200 3.737 462 HE ARG 75 HE ARG 75 5.145 14.698 1.291 463 HH11 ARG 75 HH11 ARG 75 5.844 14.761 4.702 464 HH12 ARG 75 HH12 ARG 75 5.737 16.487 4.824 465 HH21 ARG 75 HH21 ARG 75 5.003 16.970 1.439 466 HH22 ARG 75 HH22 ARG 75 5.259 17.741 2.968 467 H ASP 76 H ASP 76 9.251 9.631 3.858 468 HA ASP 76 HA ASP 76 10.156 7.488 2.186 469 HB2 ASP 76 HB1 ASP 76 9.465 7.268 5.118 470 HB3 ASP 76 HB2 ASP 76 10.638 6.321 4.194 471 HD2 ASP 76 HD ASP 76 11.875 9.563 5.911 472 H ALA 77 H ALA 77 7.169 8.339 3.767 473 HA ALA 77 HA ALA 77 5.967 5.743 3.399 474 HB1 ALA 77 HB1 ALA 77 4.092 7.900 3.872 475 HB2 ALA 77 HB2 ALA 77 4.448 6.476 4.852 476 HB3 ALA 77 HB3 ALA 77 5.435 7.928 5.017 477 H MET 78 H MET 78 6.162 8.746 1.652 478 HA MET 78 HA MET 78 3.953 8.601 -0.005 479 HB2 MET 78 HB1 MET 78 6.663 9.799 -0.203 480 HB3 MET 78 HB2 MET 78 5.760 9.626 -1.714 481 HG2 MET 78 HG1 MET 78 4.440 10.878 0.662 482 HG3 MET 78 HG2 MET 78 5.573 11.811 -0.320 483 HE1 MET 78 HE1 MET 78 4.256 11.305 -3.813 484 HE2 MET 78 HE2 MET 78 4.380 12.911 -3.094 485 HE3 MET 78 HE3 MET 78 5.600 11.688 -2.736 486 H CYS 79 H CYS 79 7.047 6.931 -0.262 487 HA CYS 79 HA CYS 79 6.372 5.728 -2.798 488 HB2 CYS 79 HB1 CYS 79 8.719 5.855 -1.027 489 HB3 CYS 79 HB2 CYS 79 8.522 4.309 -1.855 490 H CYS 80 H CYS 80 6.238 3.418 -3.129 491 HA CYS 80 HA CYS 80 4.351 2.158 -1.522 492 HB2 CYS 80 HB1 CYS 80 6.049 1.426 -3.800 493 HB3 CYS 80 HB2 CYS 80 5.642 0.061 -2.759 494 HA PRO 81 HA PRO 81 6.478 0.312 1.841 495 HB2 PRO 81 HB1 PRO 81 5.253 -2.126 2.052 496 HB3 PRO 81 HB2 PRO 81 4.473 -0.607 2.483 497 HG2 PRO 81 HG1 PRO 81 4.277 -2.189 -0.057 498 HG3 PRO 81 HG2 PRO 81 2.965 -1.417 0.910 499 HD2 PRO 81 HD1 PRO 81 3.963 -0.305 -1.357 500 HD3 PRO 81 HD2 PRO 81 3.394 0.662 0.013 501 H GLY 82 H GLY 82 8.531 -0.347 1.791 502 HA2 GLY 82 HA2 GLY 82 9.794 -2.545 1.636 503 HA3 GLY 82 HA3 GLY 82 9.251 -2.550 -0.036 504 HA1 GLY 82 HA1 GLY 82 9.840 -1.681 1.812 505 H THR 83 H THR 83 9.616 0.497 0.050 506 HA THR 83 HA THR 83 12.548 0.484 -0.275 507 HB THR 83 HB THR 83 11.999 2.404 -1.974 508 HG1 THR 83 HG1 THR 83 9.949 1.591 -3.091 509 HG21 THR 83 HG21 THR 83 12.353 -0.435 -2.214 510 HG22 THR 83 HG22 THR 83 12.911 0.849 -3.285 511 HG23 THR 83 HG23 THR 83 11.308 0.149 -3.507 512 H LEU 84 H LEU 84 13.418 2.816 -0.319 513 HA LEU 84 HA LEU 84 12.039 4.416 1.735 514 HB2 LEU 84 HB1 LEU 84 14.848 3.463 1.576 515 HB3 LEU 84 HB2 LEU 84 14.578 5.107 2.179 516 HG LEU 84 HG LEU 84 12.800 3.323 3.530 517 HD11 LEU 84 HD11 LEU 84 14.478 1.954 4.705 518 HD12 LEU 84 HD12 LEU 84 15.703 2.509 3.564 519 HD13 LEU 84 HD13 LEU 84 14.341 1.542 2.997 520 HD21 LEU 84 HD21 LEU 84 14.159 5.597 4.074 521 HD22 LEU 84 HD22 LEU 84 15.137 4.414 4.944 522 HD23 LEU 84 HD23 LEU 84 13.416 4.569 5.299 523 H CYS 85 H CYS 85 12.672 6.719 1.742 524 HA CYS 85 HA CYS 85 13.030 7.664 -1.015 525 HB2 CYS 85 HB1 CYS 85 10.980 8.295 0.369 526 HB3 CYS 85 HB2 CYS 85 12.067 9.296 1.334 527 H VAL 86 H VAL 86 15.134 7.993 -1.417 528 HA VAL 86 HA VAL 86 16.651 9.628 0.511 529 HB VAL 86 HB VAL 86 17.841 7.553 -1.330 530 HG11 VAL 86 HG11 VAL 86 19.727 7.895 0.458 531 HG12 VAL 86 HG12 VAL 86 19.562 9.012 -0.898 532 HG13 VAL 86 HG13 VAL 86 18.934 9.453 0.690 533 HG21 VAL 86 HG21 VAL 86 16.424 6.501 0.379 534 HG22 VAL 86 HG22 VAL 86 18.133 6.152 0.637 535 HG23 VAL 86 HG23 VAL 86 17.319 7.356 1.635 536 H ASN 87 H ASN 87 17.596 11.426 -0.254 537 HA ASN 87 HA ASN 87 18.083 13.142 -1.667 538 HB2 ASN 87 HB1 ASN 87 19.696 11.257 -2.399 539 HB3 ASN 87 HB2 ASN 87 18.632 11.094 -3.803 540 HD21 ASN 87 HD21 ASN 87 20.406 11.695 -5.119 541 HD22 ASN 87 HD22 ASN 87 20.862 13.354 -5.283 542 H ASP 88 H ASP 88 15.358 12.360 -1.547 543 HA ASP 88 HA ASP 88 13.369 12.798 -2.560 544 HB2 ASP 88 HB1 ASP 88 15.045 14.800 -3.371 545 HB3 ASP 88 HB2 ASP 88 14.509 14.139 -4.921 546 HD2 ASP 88 HD ASP 88 11.749 15.823 -2.612 547 H VAL 89 H VAL 89 14.981 10.425 -3.282 548 HA VAL 89 HA VAL 89 13.507 9.729 -5.717 549 HB VAL 89 HB VAL 89 16.438 9.112 -5.320 550 HG11 VAL 89 HG11 VAL 89 15.463 7.285 -6.456 551 HG12 VAL 89 HG12 VAL 89 14.469 8.343 -7.460 552 HG13 VAL 89 HG13 VAL 89 16.217 8.282 -7.700 553 HG21 VAL 89 HG21 VAL 89 16.581 11.258 -6.048 554 HG22 VAL 89 HG22 VAL 89 16.375 10.473 -7.613 555 HG23 VAL 89 HG23 VAL 89 14.993 11.222 -6.814 556 H CYS 90 H CYS 90 12.754 7.659 -5.776 557 HA CYS 90 HA CYS 90 12.682 6.212 -3.317 558 HB2 CYS 90 HB1 CYS 90 11.012 6.372 -5.436 559 HB3 CYS 90 HB2 CYS 90 11.834 4.856 -5.813 560 H THR 91 H THR 91 14.261 4.966 -2.589 561 HA THR 91 HA THR 91 15.848 3.421 -4.535 562 HB THR 91 HB THR 91 17.159 5.235 -3.440 563 HG1 THR 91 HG1 THR 91 18.021 2.666 -2.577 564 HG21 THR 91 HG21 THR 91 16.643 3.631 -0.932 565 HG22 THR 91 HG22 THR 91 16.031 5.250 -1.273 566 HG23 THR 91 HG23 THR 91 17.763 4.987 -1.074 567 H THR 92 H THR 92 16.722 1.390 -3.730 568 HA THR 92 HA THR 92 14.754 -0.140 -2.367 569 HB THR 92 HB THR 92 16.915 -1.779 -2.334 570 HG1 THR 92 HG1 THR 92 18.092 -1.310 -4.268 571 HG21 THR 92 HG21 THR 92 16.071 -2.068 -4.921 572 HG22 THR 92 HG22 THR 92 14.708 -1.230 -4.178 573 HG23 THR 92 HG23 THR 92 15.272 -2.761 -3.510 574 H MET 93 H MET 93 14.793 -1.078 -0.335 575 HA MET 93 HA MET 93 15.870 0.403 1.766 576 HB2 MET 93 HB1 MET 93 13.938 -1.075 2.022 577 HB3 MET 93 HB2 MET 93 14.976 -2.485 1.764 578 HG2 MET 93 HG1 MET 93 15.666 -2.521 3.884 579 HG3 MET 93 HG2 MET 93 15.936 -0.777 3.905 580 HE1 MET 93 HE1 MET 93 13.723 -0.518 6.895 581 HE2 MET 93 HE2 MET 93 14.840 -1.869 6.700 582 HE3 MET 93 HE3 MET 93 15.288 -0.263 6.124 583 H GLU 94 H GLU 94 17.016 -2.613 0.288 584 HA GLU 94 HA GLU 94 19.131 -3.168 1.992 585 HB2 GLU 94 HB1 GLU 94 18.527 -3.763 -0.868 586 HB3 GLU 94 HB2 GLU 94 20.172 -4.068 -0.287 587 HG2 GLU 94 HG1 GLU 94 19.560 -5.954 0.693 588 HG3 GLU 94 HG2 GLU 94 18.263 -5.130 1.571 589 HE2 GLU 94 HE GLU 94 17.117 -6.449 -1.990 590 H ASP 95 H ASP 95 18.844 -0.747 -0.484 591 HA ASP 95 HA ASP 95 21.681 -0.152 -0.498 592 HB2 ASP 95 HB1 ASP 95 19.279 0.803 -1.993 593 HB3 ASP 95 HB2 ASP 95 20.671 1.888 -1.882 594 HD2 ASP 95 HD ASP 95 22.651 -0.530 -3.654 595 H ALA 96 H ALA 96 18.696 1.239 0.764 596 HA ALA 96 HA ALA 96 19.992 3.581 1.810 597 HB1 ALA 96 HB1 ALA 96 17.249 2.508 1.732 598 HB2 ALA 96 HB2 ALA 96 17.635 3.533 3.113 599 HB3 ALA 96 HB3 ALA 96 17.836 4.151 1.474 600 H THR 97 H THR 97 21.522 3.154 3.313 601 HA THR 97 HA THR 97 20.613 2.074 5.856 602 HB THR 97 HB THR 97 23.191 0.991 4.765 603 HG1 THR 97 HG1 THR 97 22.077 -0.174 3.403 604 HG21 THR 97 HG21 THR 97 21.850 -0.865 6.375 605 HG22 THR 97 HG22 THR 97 21.612 0.695 7.161 606 HG23 THR 97 HG23 THR 97 23.243 0.121 6.818 607 H GLU 98 H GLU 98 21.063 3.745 7.145 608 HA GLU 98 HA GLU 98 23.279 5.504 6.677 609 HB2 GLU 98 HB1 GLU 98 21.226 5.277 8.876 610 HB3 GLU 98 HB2 GLU 98 22.544 6.457 8.933 611 HG2 GLU 98 HG1 GLU 98 21.036 7.800 7.953 612 HG3 GLU 98 HG2 GLU 98 21.584 6.979 6.485 613 HE2 GLU 98 HE GLU 98 18.616 5.037 6.401 614 H ASN 99 H ASN 99 25.223 4.504 6.905 615 HA ASN 99 HA ASN 99 25.790 2.711 9.068 616 HB2 ASN 99 HB1 ASN 99 27.898 4.048 7.387 617 HB3 ASN 99 HB2 ASN 99 27.903 2.427 8.093 618 HD21 ASN 99 HD21 ASN 99 27.298 0.767 6.876 619 HD22 ASN 99 HD22 ASN 99 26.550 0.886 5.324 620 H LEU 100 H LEU 100 27.468 3.052 10.670 621 HA LEU 100 HA LEU 100 27.482 5.830 11.624 622 HB2 LEU 100 HB1 LEU 100 27.821 3.182 13.024 623 HB3 LEU 100 HB2 LEU 100 28.218 4.727 13.796 624 HG LEU 100 HG LEU 100 25.533 4.720 12.685 625 HD11 LEU 100 HD11 LEU 100 25.876 2.893 15.023 626 HD12 LEU 100 HD12 LEU 100 25.994 2.262 13.380 627 HD13 LEU 100 HD13 LEU 100 24.513 3.056 13.914 628 HD21 LEU 100 HD21 LEU 100 26.515 6.345 14.305 629 HD22 LEU 100 HD22 LEU 100 26.504 5.064 15.517 630 HD23 LEU 100 HD23 LEU 100 24.986 5.638 14.824 631 H TYR 101 H TYR 101 29.430 6.673 12.595 632 HA TYR 101 HA TYR 101 31.829 5.664 11.240 633 HB2 TYR 101 HB1 TYR 101 30.942 8.105 11.040 634 HB3 TYR 101 HB2 TYR 101 31.659 8.316 12.639 635 HD1 TYR 101 HD1 TYR 101 32.766 6.616 9.493 636 HD2 TYR 101 HD2 TYR 101 33.682 9.407 12.571 637 HE1 TYR 101 HE1 TYR 101 34.972 7.003 8.476 638 HE2 TYR 101 HE2 TYR 101 35.891 9.803 11.562 639 HH TYR 101 HH TYR 101 37.398 7.940 9.648 640 H PHE 102 H PHE 102 33.872 5.704 12.402 641 HA PHE 102 HA PHE 102 33.514 5.173 15.277 642 HB2 PHE 102 HB1 PHE 102 35.180 3.819 13.181 643 HB3 PHE 102 HB2 PHE 102 35.721 3.803 14.861 644 HD1 PHE 102 HD1 PHE 102 32.495 3.270 13.053 645 HD2 PHE 102 HD2 PHE 102 35.205 1.917 16.043 646 HE1 PHE 102 HE1 PHE 102 31.009 1.368 13.534 647 HE2 PHE 102 HE2 PHE 102 33.724 0.014 16.528 648 HZ PHE 102 HZ PHE 102 31.623 -0.263 15.272 649 H GLN 103 H GLN 103 34.329 6.754 16.471 650 HA GLN 103 HA GLN 103 36.905 7.929 15.675 651 HB2 GLN 103 HB1 GLN 103 34.492 9.278 15.611 652 HB3 GLN 103 HB2 GLN 103 35.182 9.750 17.171 653 HG2 GLN 103 HG1 GLN 103 37.300 10.347 15.944 654 HG3 GLN 103 HG2 GLN 103 36.388 10.118 14.445 655 HE21 GLN 103 HE21 GLN 103 36.739 12.064 17.312 656 HE22 GLN 103 HE22 GLN 103 35.826 13.417 16.749 657 H SER 104 H SER 104 38.041 8.997 17.506 658 HA SER 104 HA SER 104 37.357 7.821 20.110 659 HB2 SER 104 HB1 SER 104 40.181 7.903 19.971 660 HB3 SER 104 HB2 SER 104 39.142 6.468 20.030 661 HG SER 104 HG SER 104 39.210 6.298 17.860 662 H LEU 105 H LEU 105 37.564 9.172 21.798 663 HA LEU 105 HA LEU 105 39.317 11.462 21.702 664 HB2 LEU 105 HB1 LEU 105 36.851 11.858 20.646 665 HB3 LEU 105 HB2 LEU 105 36.552 12.241 22.350 666 HG LEU 105 HG LEU 105 38.616 13.806 22.093 667 HD11 LEU 105 HD11 LEU 105 38.831 14.731 19.830 668 HD12 LEU 105 HD12 LEU 105 37.749 13.478 19.224 669 HD13 LEU 105 HD13 LEU 105 39.315 13.037 19.905 670 HD21 LEU 105 HD21 LEU 105 36.776 15.334 20.712 671 HD22 LEU 105 HD22 LEU 105 36.885 15.158 22.463 672 HD23 LEU 105 HD23 LEU 105 35.786 14.132 21.539 673 H GLU 106 H GLU 106 40.160 11.699 23.660 674 HA GLU 106 HA GLU 106 38.512 11.064 26.006 675 HB2 GLU 106 HB1 GLU 106 40.128 9.191 25.339 676 HB3 GLU 106 HB2 GLU 106 41.418 10.294 25.844 677 HG2 GLU 106 HG1 GLU 106 40.764 10.254 28.083 678 HG3 GLU 106 HG2 GLU 106 39.161 9.619 27.688 679 HE2 GLU 106 HE GLU 106 41.939 7.075 28.537 680 H HIS 107 H HIS 107 41.638 12.428 24.976 681 HA HIS 107 HA HIS 107 42.803 14.258 25.662 682 HB2 HIS 107 HB1 HIS 107 40.016 15.020 25.590 683 HB3 HIS 107 HB2 HIS 107 40.862 15.909 26.860 684 HD1 HIS 107 HD1 HIS 107 43.575 16.378 25.525 685 HD2 HIS 107 HD2 HIS 107 39.929 16.889 23.600 686 HE1 HIS 107 HE1 HIS 107 44.031 17.969 23.631 687 HE2 HIS 107 HE2 HIS 107 41.801 18.282 22.455 688 H HIS 108 H HIS 108 43.021 15.839 27.686 689 HA HIS 108 HA HIS 108 42.324 14.638 30.206 690 HB2 HIS 108 HB1 HIS 108 45.034 14.314 29.015 691 HB3 HIS 108 HB2 HIS 108 44.947 14.682 30.741 692 HD1 HIS 108 HD1 HIS 108 42.869 12.999 31.885 693 HD2 HIS 108 HD2 HIS 108 45.221 11.630 28.744 694 HE1 HIS 108 HE1 HIS 108 42.728 10.490 31.982 695 HE2 HIS 108 HE2 HIS 108 44.164 9.653 30.063 696 H HIS 109 H HIS 109 43.709 15.852 32.005 697 HA HIS 109 HA HIS 109 44.169 18.635 31.255 698 HB2 HIS 109 HB1 HIS 109 41.822 17.684 32.653 699 HB3 HIS 109 HB2 HIS 109 42.746 18.792 33.673 700 HD1 HIS 109 HD1 HIS 109 43.543 21.061 32.121 701 HD2 HIS 109 HD2 HIS 109 40.008 19.076 31.212 702 HE1 HIS 109 HE1 HIS 109 42.161 22.711 30.821 703 HE2 HIS 109 HE2 HIS 109 40.000 21.501 30.265 704 H HIS 110 H HIS 110 45.655 19.679 32.519 705 HA HIS 110 HA HIS 110 46.821 18.112 34.728 706 HB2 HIS 110 HB1 HIS 110 48.328 20.034 32.946 707 HB3 HIS 110 HB2 HIS 110 49.004 18.910 34.128 708 HD1 HIS 110 HD1 HIS 110 48.608 16.276 33.520 709 HD2 HIS 110 HD2 HIS 110 48.229 19.014 30.419 710 HE1 HIS 110 HE1 HIS 110 48.807 14.929 31.406 711 HE2 HIS 110 HE2 HIS 110 48.574 16.603 29.509 712 H HIS 111 H HIS 111 44.777 19.807 35.311 713 HA HIS 111 HA HIS 111 46.090 22.199 36.416 714 HB2 HIS 111 HB1 HIS 111 43.306 21.649 35.464 715 HB3 HIS 111 HB2 HIS 111 43.550 22.858 36.730 716 HD1 HIS 111 HD1 HIS 111 42.850 23.060 33.450 717 HD2 HIS 111 HD2 HIS 111 46.153 24.413 35.576 718 HE1 HIS 111 HE1 HIS 111 43.844 24.897 32.051 719 HE2 HIS 111 HE2 HIS 111 45.863 25.725 33.348 720 H HIS 112 H HIS 112 43.244 20.230 37.277 721 HA HIS 112 HA HIS 112 43.813 20.600 40.090 722 HB2 HIS 112 HB1 HIS 112 41.487 20.531 38.876 723 HB3 HIS 112 HB2 HIS 112 41.664 18.783 39.058 724 HD1 HIS 112 HD1 HIS 112 39.513 20.595 40.549 725 HD2 HIS 112 HD2 HIS 112 43.033 19.102 42.174 726 HE1 HIS 112 HE1 HIS 112 39.134 20.537 43.035 727 HE2 HIS 112 HE2 HIS 112 41.285 19.625 44.029 Start of MODEL 60 1 H1 MET 18 H MET 18 -41.990 -27.615 38.105 2 HA MET 18 HA MET 18 -41.996 -29.282 36.550 3 HB2 MET 18 HB1 MET 18 -44.157 -30.476 36.075 4 HB3 MET 18 HB2 MET 18 -43.675 -30.454 37.779 5 HG2 MET 18 HG1 MET 18 -45.231 -28.571 38.173 6 HG3 MET 18 HG2 MET 18 -45.749 -28.697 36.490 7 HE1 MET 18 HE1 MET 18 -48.486 -31.153 36.527 8 HE2 MET 18 HE2 MET 18 -48.160 -29.425 36.386 9 HE3 MET 18 HE3 MET 18 -47.176 -30.584 35.492 10 H LEU 19 H LEU 19 -44.452 -26.788 36.249 11 HA LEU 19 HA LEU 19 -43.928 -26.717 33.352 12 HB2 LEU 19 HB1 LEU 19 -46.456 -26.840 34.836 13 HB3 LEU 19 HB2 LEU 19 -46.389 -25.551 33.622 14 HG LEU 19 HG LEU 19 -45.782 -28.428 32.979 15 HD11 LEU 19 HD11 LEU 19 -48.380 -27.186 32.254 16 HD12 LEU 19 HD12 LEU 19 -48.171 -27.782 33.900 17 HD13 LEU 19 HD13 LEU 19 -47.971 -28.878 32.534 18 HD21 LEU 19 HD21 LEU 19 -45.244 -27.617 30.988 19 HD22 LEU 19 HD22 LEU 19 -45.574 -25.978 31.551 20 HD23 LEU 19 HD23 LEU 19 -46.864 -26.939 30.827 21 H VAL 20 H VAL 20 -42.734 -24.976 32.955 22 HA VAL 20 HA VAL 20 -43.107 -22.562 34.569 23 HB VAL 20 HB VAL 20 -40.958 -23.198 32.542 24 HG11 VAL 20 HG11 VAL 20 -41.716 -20.763 33.905 25 HG12 VAL 20 HG12 VAL 20 -40.059 -21.234 34.290 26 HG13 VAL 20 HG13 VAL 20 -40.546 -21.011 32.609 27 HG21 VAL 20 HG21 VAL 20 -39.604 -23.193 34.792 28 HG22 VAL 20 HG22 VAL 20 -41.169 -23.615 35.486 29 HG23 VAL 20 HG23 VAL 20 -40.446 -24.644 34.250 30 H LEU 21 H LEU 21 -44.133 -20.825 33.819 31 HA LEU 21 HA LEU 21 -45.238 -20.855 31.157 32 HB2 LEU 21 HB1 LEU 21 -45.585 -19.257 33.628 33 HB3 LEU 21 HB2 LEU 21 -45.925 -18.434 32.096 34 HG LEU 21 HG LEU 21 -47.946 -19.366 33.140 35 HD11 LEU 21 HD11 LEU 21 -47.203 -20.766 30.575 36 HD12 LEU 21 HD12 LEU 21 -47.777 -19.102 30.695 37 HD13 LEU 21 HD13 LEU 21 -48.832 -20.435 31.165 38 HD21 LEU 21 HD21 LEU 21 -46.609 -21.373 34.069 39 HD22 LEU 21 HD22 LEU 21 -46.936 -22.112 32.501 40 HD23 LEU 21 HD23 LEU 21 -48.273 -21.627 33.545 41 H ASP 22 H ASP 22 -44.852 -19.367 29.515 42 HA ASP 22 HA ASP 22 -42.921 -17.268 29.796 43 HB2 ASP 22 HB1 ASP 22 -41.978 -19.874 29.099 44 HB3 ASP 22 HB2 ASP 22 -41.833 -18.833 27.677 45 HD2 ASP 22 HD ASP 22 -39.403 -16.854 29.188 46 H PHE 23 H PHE 23 -42.912 -15.851 28.046 47 HA PHE 23 HA PHE 23 -44.165 -16.444 25.562 48 HB2 PHE 23 HB1 PHE 23 -46.142 -15.068 25.740 49 HB3 PHE 23 HB2 PHE 23 -46.168 -16.274 27.029 50 HD1 PHE 23 HD1 PHE 23 -45.733 -12.715 26.276 51 HD2 PHE 23 HD2 PHE 23 -45.968 -15.661 29.340 52 HE1 PHE 23 HE1 PHE 23 -46.006 -10.940 27.958 53 HE2 PHE 23 HE2 PHE 23 -46.241 -13.890 31.027 54 HZ PHE 23 HZ PHE 23 -46.261 -11.526 30.336 55 H ASN 24 H ASN 24 -43.801 -14.859 24.030 56 HA ASN 24 HA ASN 24 -42.551 -12.365 24.940 57 HB2 ASN 24 HB1 ASN 24 -40.673 -12.577 23.558 58 HB3 ASN 24 HB2 ASN 24 -40.863 -14.192 24.250 59 HD21 ASN 24 HD21 ASN 24 -40.708 -12.366 21.406 60 HD22 ASN 24 HD22 ASN 24 -41.048 -13.635 20.284 61 H ASN 25 H ASN 25 -42.729 -10.612 23.499 62 HA ASN 25 HA ASN 25 -44.024 -10.882 20.960 63 HB2 ASN 25 HB1 ASN 25 -45.954 -9.315 21.736 64 HB3 ASN 25 HB2 ASN 25 -46.075 -11.051 22.049 65 HD21 ASN 25 HD21 ASN 25 -45.849 -11.830 24.139 66 HD22 ASN 25 HD22 ASN 25 -45.948 -10.798 25.522 67 H ILE 26 H ILE 26 -41.804 -9.815 20.865 68 HA ILE 26 HA ILE 26 -42.157 -6.897 21.070 69 HB ILE 26 HB ILE 26 -39.544 -8.366 21.429 70 HG12 ILE 26 HG11 ILE 26 -40.999 -8.811 23.320 71 HG13 ILE 26 HG12 ILE 26 -39.722 -7.682 23.802 72 HG21 ILE 26 HG21 ILE 26 -38.827 -6.329 20.748 73 HG22 ILE 26 HG22 ILE 26 -40.321 -5.523 21.222 74 HG23 ILE 26 HG23 ILE 26 -39.115 -5.929 22.442 75 HD11 ILE 26 HD11 ILE 26 -41.882 -6.112 22.921 76 HD12 ILE 26 HD12 ILE 26 -42.543 -7.358 23.981 77 HD13 ILE 26 HD13 ILE 26 -41.260 -6.296 24.561 78 H ARG 27 H ARG 27 -41.901 -5.809 19.230 79 HA ARG 27 HA ARG 27 -40.427 -7.098 17.030 80 HB2 ARG 27 HB1 ARG 27 -43.136 -5.803 17.025 81 HB3 ARG 27 HB2 ARG 27 -42.144 -5.789 15.559 82 HG2 ARG 27 HG1 ARG 27 -42.938 -7.794 15.055 83 HG3 ARG 27 HG2 ARG 27 -42.085 -8.431 16.472 84 HD2 ARG 27 HD1 ARG 27 -44.212 -7.494 17.747 85 HD3 ARG 27 HD2 ARG 27 -44.950 -7.691 16.151 86 HE ARG 27 HE ARG 27 -43.696 -10.070 16.608 87 HH11 ARG 27 HH11 ARG 27 -46.055 -8.165 18.317 88 HH12 ARG 27 HH12 ARG 27 -46.827 -9.536 19.045 89 HH21 ARG 27 HH21 ARG 27 -44.703 -11.883 17.559 90 HH22 ARG 27 HH22 ARG 27 -46.056 -11.650 18.614 91 H SER 28 H SER 28 -38.581 -5.913 17.139 92 HA SER 28 HA SER 28 -38.786 -2.992 17.217 93 HB2 SER 28 HB1 SER 28 -37.119 -4.636 18.582 94 HB3 SER 28 HB2 SER 28 -36.116 -4.273 17.166 95 HG SER 28 HG SER 28 -35.678 -2.495 18.192 96 H SER 29 H SER 29 -36.911 -1.927 15.868 97 HA SER 29 HA SER 29 -36.305 -3.168 13.358 98 HB2 SER 29 HB1 SER 29 -37.759 -2.135 11.922 99 HB3 SER 29 HB2 SER 29 -38.799 -2.194 13.357 100 HG SER 29 HG SER 29 -38.654 -0.095 12.323 101 H ALA 30 H ALA 30 -35.396 -1.379 11.803 102 HA ALA 30 HA ALA 30 -34.352 0.997 12.934 103 HB1 ALA 30 HB1 ALA 30 -32.557 0.264 14.010 104 HB2 ALA 30 HB2 ALA 30 -32.884 -1.394 13.505 105 HB3 ALA 30 HB3 ALA 30 -31.920 -0.333 12.477 106 H ASP 31 H ASP 31 -33.494 2.320 11.386 107 HA ASP 31 HA ASP 31 -32.541 1.308 8.870 108 HB2 ASP 31 HB1 ASP 31 -35.331 2.024 9.166 109 HB3 ASP 31 HB2 ASP 31 -34.534 3.082 7.996 110 HD2 ASP 31 HD ASP 31 -33.736 0.213 5.991 111 H LEU 32 H LEU 32 -30.784 2.531 8.686 112 HA LEU 32 HA LEU 32 -31.067 5.412 8.550 113 HB2 LEU 32 HB1 LEU 32 -29.184 5.807 10.117 114 HB3 LEU 32 HB2 LEU 32 -30.645 5.167 10.889 115 HG LEU 32 HG LEU 32 -29.048 2.935 10.269 116 HD11 LEU 32 HD11 LEU 32 -26.944 3.396 11.303 117 HD12 LEU 32 HD12 LEU 32 -27.439 5.042 11.699 118 HD13 LEU 32 HD13 LEU 32 -27.190 4.577 10.016 119 HD21 LEU 32 HD21 LEU 32 -30.578 3.157 12.158 120 HD22 LEU 32 HD22 LEU 32 -29.513 4.360 12.887 121 HD23 LEU 32 HD23 LEU 32 -28.963 2.694 12.697 122 H HIS 33 H HIS 33 -29.924 6.119 6.879 123 HA HIS 33 HA HIS 33 -27.408 4.786 6.186 124 HB2 HIS 33 HB1 HIS 33 -29.551 4.067 4.809 125 HB3 HIS 33 HB2 HIS 33 -29.238 5.583 3.961 126 HD1 HIS 33 HD1 HIS 33 -27.462 5.575 2.200 127 HD2 HIS 33 HD2 HIS 33 -27.311 2.202 4.620 128 HE1 HIS 33 HE1 HIS 33 -25.762 4.060 1.135 129 HE2 HIS 33 HE2 HIS 33 -25.667 1.999 2.614 130 H GLY 34 H GLY 34 -25.909 6.319 6.305 131 HA2 GLY 34 HA2 GLY 34 -26.306 8.807 4.842 132 HA3 GLY 34 HA3 GLY 34 -26.042 8.961 6.573 133 HA1 GLY 34 HA1 GLY 34 -25.912 8.038 4.662 134 H ALA 35 H ALA 35 -24.609 8.148 3.507 135 HA ALA 35 HA ALA 35 -21.976 8.681 4.604 136 HB1 ALA 35 HB1 ALA 35 -22.561 6.150 4.776 137 HB2 ALA 35 HB2 ALA 35 -22.237 6.148 3.042 138 HB3 ALA 35 HB3 ALA 35 -20.979 6.646 4.173 139 H ARG 36 H ARG 36 -22.842 10.475 3.079 140 HA ARG 36 HA ARG 36 -21.802 9.909 0.384 141 HB2 ARG 36 HB1 ARG 36 -24.287 11.408 1.188 142 HB3 ARG 36 HB2 ARG 36 -23.485 11.720 -0.359 143 HG2 ARG 36 HG1 ARG 36 -23.661 9.151 -0.699 144 HG3 ARG 36 HG2 ARG 36 -24.896 9.257 0.567 145 HD2 ARG 36 HD1 ARG 36 -26.160 10.877 -0.747 146 HD3 ARG 36 HD2 ARG 36 -24.899 10.859 -1.989 147 HE ARG 36 HE ARG 36 -26.021 8.266 -1.460 148 HH11 ARG 36 HH11 ARG 36 -26.364 11.218 -3.273 149 HH12 ARG 36 HH12 ARG 36 -27.288 10.485 -4.541 150 HH21 ARG 36 HH21 ARG 36 -27.236 7.289 -3.123 151 HH22 ARG 36 HH22 ARG 36 -27.785 8.250 -4.455 152 H LYS 37 H LYS 37 -21.428 12.126 -0.787 153 HA LYS 37 HA LYS 37 -20.037 13.924 -0.939 154 HB2 LYS 37 HB1 LYS 37 -21.404 14.556 1.685 155 HB3 LYS 37 HB2 LYS 37 -20.403 15.702 0.781 156 HG2 LYS 37 HG1 LYS 37 -22.143 14.933 -1.151 157 HG3 LYS 37 HG2 LYS 37 -23.157 14.811 0.296 158 HD2 LYS 37 HD1 LYS 37 -21.909 17.199 0.725 159 HD3 LYS 37 HD2 LYS 37 -22.058 17.183 -1.041 160 HE2 LYS 37 HE1 LYS 37 -24.532 16.267 -0.088 161 HE3 LYS 37 HE2 LYS 37 -24.086 17.616 0.965 162 HZ1 LYS 37 HZ1 LYS 37 -24.872 18.910 -0.644 163 HZ2 LYS 37 HZ2 LYS 37 -24.918 17.652 -1.773 164 HZ3 LYS 37 HZ3 LYS 37 -23.486 18.520 -1.532 165 H GLY 38 H GLY 38 -18.092 12.743 -0.773 166 HA2 GLY 38 HA2 GLY 38 -16.579 13.386 1.638 167 HA3 GLY 38 HA3 GLY 38 -16.713 11.683 1.225 168 HA1 GLY 38 HA1 GLY 38 -16.677 13.776 0.854 169 H SER 39 H SER 39 -14.360 11.781 1.113 170 HA SER 39 HA SER 39 -13.296 13.163 -1.238 171 HB2 SER 39 HB1 SER 39 -11.708 11.587 0.798 172 HB3 SER 39 HB2 SER 39 -11.129 12.842 -0.312 173 HG SER 39 HG SER 39 -11.722 13.284 2.098 174 H GLN 40 H GLN 40 -11.231 11.649 -2.023 175 HA GLN 40 HA GLN 40 -12.544 9.490 -3.406 176 HB2 GLN 40 HB1 GLN 40 -10.173 11.099 -3.755 177 HB3 GLN 40 HB2 GLN 40 -9.785 9.380 -3.935 178 HG2 GLN 40 HG1 GLN 40 -12.166 10.477 -5.361 179 HG3 GLN 40 HG2 GLN 40 -10.547 10.817 -5.986 180 HE21 GLN 40 HE21 GLN 40 -9.883 9.456 -7.468 181 HE22 GLN 40 HE22 GLN 40 -10.314 7.789 -7.596 182 H CYS 41 H CYS 41 -10.406 9.852 -0.695 183 HA CYS 41 HA CYS 41 -10.738 7.082 0.003 184 HB2 CYS 41 HB1 CYS 41 -8.400 6.474 0.055 185 HB3 CYS 41 HB2 CYS 41 -8.828 6.984 -1.578 186 H LEU 42 H LEU 42 -10.486 6.730 2.171 187 HA LEU 42 HA LEU 42 -10.276 9.079 3.833 188 HB2 LEU 42 HB1 LEU 42 -11.539 6.575 4.007 189 HB3 LEU 42 HB2 LEU 42 -10.331 6.607 5.305 190 HG LEU 42 HG LEU 42 -12.535 8.629 4.898 191 HD11 LEU 42 HD11 LEU 42 -12.237 6.226 6.648 192 HD12 LEU 42 HD12 LEU 42 -13.628 6.765 5.709 193 HD13 LEU 42 HD13 LEU 42 -13.186 7.607 7.194 194 HD21 LEU 42 HD21 LEU 42 -10.743 9.777 5.897 195 HD22 LEU 42 HD22 LEU 42 -10.320 8.401 6.915 196 HD23 LEU 42 HD23 LEU 42 -11.797 9.312 7.232 197 H SER 43 H SER 43 -8.254 6.426 2.896 198 HA SER 43 HA SER 43 -5.968 7.646 4.130 199 HB2 SER 43 HB1 SER 43 -7.215 6.159 5.911 200 HB3 SER 43 HB2 SER 43 -6.440 4.828 5.034 201 HG SER 43 HG SER 43 -5.232 5.790 6.854 202 H ASP 44 H ASP 44 -4.011 6.029 3.874 203 HA ASP 44 HA ASP 44 -3.776 5.509 1.101 204 HB2 ASP 44 HB1 ASP 44 -1.550 4.962 1.520 205 HB3 ASP 44 HB2 ASP 44 -1.935 6.071 2.843 206 HD2 ASP 44 HD ASP 44 -0.972 2.375 3.711 207 H THR 45 H THR 45 -4.686 3.561 3.828 208 HA THR 45 HA THR 45 -4.274 1.024 2.587 209 HB THR 45 HB THR 45 -6.305 1.351 4.749 210 HG1 THR 45 HG1 THR 45 -4.794 2.648 5.638 211 HG21 THR 45 HG21 THR 45 -5.517 -0.740 5.474 212 HG22 THR 45 HG22 THR 45 -4.001 -0.574 4.586 213 HG23 THR 45 HG23 THR 45 -5.508 -0.853 3.714 214 H ASP 46 H ASP 46 -6.801 3.386 2.524 215 HA ASP 46 HA ASP 46 -8.930 1.689 1.729 216 HB2 ASP 46 HB1 ASP 46 -8.420 4.620 1.790 217 HB3 ASP 46 HB2 ASP 46 -9.690 4.049 0.700 218 HD2 ASP 46 HD ASP 46 -11.868 3.618 3.295 219 H CYS 47 H CYS 47 -6.277 3.149 0.044 220 HA CYS 47 HA CYS 47 -7.440 2.737 -2.576 221 HB2 CYS 47 HB1 CYS 47 -5.793 4.612 -1.841 222 HB3 CYS 47 HB2 CYS 47 -4.548 3.380 -2.068 223 H ASN 48 H ASN 48 -7.772 0.527 -2.741 224 HA ASN 48 HA ASN 48 -7.231 -1.590 -3.388 225 HB2 ASN 48 HB1 ASN 48 -4.951 -0.010 -4.149 226 HB3 ASN 48 HB2 ASN 48 -4.404 -1.586 -3.564 227 HD21 ASN 48 HD21 ASN 48 -4.634 -3.334 -4.817 228 HD22 ASN 48 HD22 ASN 48 -5.415 -3.344 -6.358 229 H THR 49 H THR 49 -4.236 -0.766 -1.664 230 HA THR 49 HA THR 49 -4.908 -1.856 0.819 231 HB THR 49 HB THR 49 -5.117 -4.012 -0.175 232 HG1 THR 49 HG1 THR 49 -3.904 -4.898 1.318 233 HG21 THR 49 HG21 THR 49 -3.439 -5.031 -1.580 234 HG22 THR 49 HG22 THR 49 -2.377 -3.636 -1.387 235 HG23 THR 49 HG23 THR 49 -3.894 -3.473 -2.271 236 H ARG 50 H ARG 50 -2.320 -1.548 -1.577 237 HA ARG 50 HA ARG 50 -0.639 -0.345 0.507 238 HB2 ARG 50 HB1 ARG 50 1.346 -1.471 -0.455 239 HB3 ARG 50 HB2 ARG 50 0.182 -2.604 0.246 240 HG2 ARG 50 HG1 ARG 50 -0.690 -2.590 -2.301 241 HG3 ARG 50 HG2 ARG 50 1.034 -2.260 -2.552 242 HD2 ARG 50 HD1 ARG 50 1.611 -4.244 -1.211 243 HD3 ARG 50 HD2 ARG 50 -0.113 -4.574 -0.993 244 HE ARG 50 HE ARG 50 0.431 -4.401 -3.740 245 HH11 ARG 50 HH11 ARG 50 1.074 -6.458 -1.005 246 HH12 ARG 50 HH12 ARG 50 1.204 -7.901 -1.956 247 HH21 ARG 50 HH21 ARG 50 0.601 -6.294 -5.002 248 HH22 ARG 50 HH22 ARG 50 0.936 -7.806 -4.230 249 H LYS 51 H LYS 51 -2.138 1.158 -1.189 250 HA LYS 51 HA LYS 51 -0.207 2.119 -3.195 251 HB2 LYS 51 HB1 LYS 51 -2.908 1.424 -3.487 252 HB3 LYS 51 HB2 LYS 51 -2.872 3.195 -3.522 253 HG2 LYS 51 HG1 LYS 51 -2.208 3.152 -5.632 254 HG3 LYS 51 HG2 LYS 51 -0.750 2.267 -5.149 255 HD2 LYS 51 HD1 LYS 51 -2.480 0.228 -5.109 256 HD3 LYS 51 HD2 LYS 51 -3.290 1.257 -6.303 257 HE2 LYS 51 HE1 LYS 51 -1.642 1.010 -7.860 258 HE3 LYS 51 HE2 LYS 51 -0.372 0.881 -6.633 259 HZ1 LYS 51 HZ1 LYS 51 -2.228 -1.321 -6.615 260 HZ2 LYS 51 HZ2 LYS 51 -0.537 -1.331 -6.583 261 HZ3 LYS 51 HZ3 LYS 51 -1.355 -1.185 -8.057 262 H PHE 52 H PHE 52 -0.262 4.484 -3.590 263 HA PHE 52 HA PHE 52 -0.446 5.898 -1.031 264 HB2 PHE 52 HB1 PHE 52 1.703 6.190 -1.902 265 HB3 PHE 52 HB2 PHE 52 1.110 6.360 -3.556 266 HD1 PHE 52 HD1 PHE 52 1.339 8.082 -0.297 267 HD2 PHE 52 HD2 PHE 52 0.550 8.459 -4.462 268 HE1 PHE 52 HE1 PHE 52 1.386 10.533 -0.080 269 HE2 PHE 52 HE2 PHE 52 0.597 10.911 -4.253 270 HZ PHE 52 HZ PHE 52 1.016 11.950 -2.060 271 H CYS 53 H CYS 53 -1.655 7.730 -0.746 272 HA CYS 53 HA CYS 53 -3.552 8.356 -2.908 273 HB2 CYS 53 HB1 CYS 53 -3.867 7.904 -0.054 274 HB3 CYS 53 HB2 CYS 53 -4.541 9.461 -0.539 275 H LEU 54 H LEU 54 -3.414 10.286 -3.836 276 HA LEU 54 HA LEU 54 -1.771 12.347 -2.547 277 HB2 LEU 54 HB1 LEU 54 -1.508 11.386 -5.006 278 HB3 LEU 54 HB2 LEU 54 -2.745 12.608 -5.345 279 HG LEU 54 HG LEU 54 -0.363 13.520 -3.840 280 HD11 LEU 54 HD11 LEU 54 1.097 12.670 -5.293 281 HD12 LEU 54 HD12 LEU 54 0.436 13.820 -6.455 282 HD13 LEU 54 HD13 LEU 54 -0.174 12.166 -6.407 283 HD21 LEU 54 HD21 LEU 54 -1.929 15.187 -4.319 284 HD22 LEU 54 HD22 LEU 54 -2.200 14.593 -5.957 285 HD23 LEU 54 HD23 LEU 54 -0.685 15.400 -5.550 286 H GLN 55 H GLN 55 -2.546 14.348 -2.068 287 HA GLN 55 HA GLN 55 -5.316 14.976 -2.804 288 HB2 GLN 55 HB1 GLN 55 -5.622 15.901 -0.464 289 HB3 GLN 55 HB2 GLN 55 -5.578 14.137 -0.604 290 HG2 GLN 55 HG1 GLN 55 -3.627 13.937 0.528 291 HG3 GLN 55 HG2 GLN 55 -3.007 15.485 -0.064 292 HE21 GLN 55 HE21 GLN 55 -3.033 14.420 2.640 293 HE22 GLN 55 HE22 GLN 55 -3.892 15.567 3.604 294 HA PRO 56 HA PRO 56 -2.624 18.560 -3.750 295 HB2 PRO 56 HB1 PRO 56 -4.077 19.343 -5.937 296 HB3 PRO 56 HB2 PRO 56 -2.833 18.096 -5.991 297 HG2 PRO 56 HG1 PRO 56 -5.808 17.804 -5.749 298 HG3 PRO 56 HG2 PRO 56 -4.656 16.905 -6.805 299 HD2 PRO 56 HD1 PRO 56 -5.646 15.868 -4.500 300 HD3 PRO 56 HD2 PRO 56 -4.011 15.515 -5.084 301 H ARG 57 H ARG 57 -2.965 20.732 -3.359 302 HA ARG 57 HA ARG 57 -5.380 21.382 -1.910 303 HB2 ARG 57 HB1 ARG 57 -4.266 23.492 -1.388 304 HB3 ARG 57 HB2 ARG 57 -3.202 22.116 -1.061 305 HG2 ARG 57 HG1 ARG 57 -2.562 22.757 -3.658 306 HG3 ARG 57 HG2 ARG 57 -2.863 24.335 -2.911 307 HD2 ARG 57 HD1 ARG 57 -1.359 23.493 -0.990 308 HD3 ARG 57 HD2 ARG 57 -0.852 22.248 -2.139 309 HE ARG 57 HE ARG 57 -0.651 24.827 -3.301 310 HH11 ARG 57 HH11 ARG 57 0.901 22.694 -1.030 311 HH12 ARG 57 HH12 ARG 57 2.474 23.383 -1.258 312 HH21 ARG 57 HH21 ARG 57 1.415 25.743 -3.610 313 HH22 ARG 57 HH22 ARG 57 2.765 25.118 -2.726 314 H ASP 58 H ASP 58 -4.010 21.981 -5.042 315 HA ASP 58 HA ASP 58 -5.929 24.086 -5.646 316 HB2 ASP 58 HB1 ASP 58 -3.547 22.914 -7.047 317 HB3 ASP 58 HB2 ASP 58 -4.750 23.818 -7.979 318 HD2 ASP 58 HD ASP 58 -3.461 26.231 -5.203 319 H GLU 59 H GLU 59 -5.525 20.689 -6.065 320 HA GLU 59 HA GLU 59 -7.907 20.635 -7.801 321 HB2 GLU 59 HB1 GLU 59 -5.316 19.453 -8.181 322 HB3 GLU 59 HB2 GLU 59 -6.532 18.175 -8.036 323 HG2 GLU 59 HG1 GLU 59 -7.492 20.277 -9.754 324 HG3 GLU 59 HG2 GLU 59 -5.915 19.688 -10.299 325 HE2 GLU 59 HE GLU 59 -7.289 16.800 -11.516 326 H LYS 60 H LYS 60 -8.760 18.164 -7.698 327 HA LYS 60 HA LYS 60 -9.605 17.846 -4.946 328 HB2 LYS 60 HB1 LYS 60 -11.091 16.064 -5.901 329 HB3 LYS 60 HB2 LYS 60 -11.328 17.675 -6.598 330 HG2 LYS 60 HG1 LYS 60 -10.604 17.062 -8.650 331 HG3 LYS 60 HG2 LYS 60 -9.417 15.917 -8.000 332 HD2 LYS 60 HD1 LYS 60 -11.601 14.603 -7.268 333 HD3 LYS 60 HD2 LYS 60 -12.301 15.518 -8.615 334 HE2 LYS 60 HE1 LYS 60 -10.157 14.677 -9.898 335 HE3 LYS 60 HE2 LYS 60 -10.175 13.426 -8.644 336 HZ1 LYS 60 HZ1 LYS 60 -12.152 12.569 -9.390 337 HZ2 LYS 60 HZ2 LYS 60 -11.455 13.061 -10.850 338 HZ3 LYS 60 HZ3 LYS 60 -12.648 14.012 -10.121 339 HA PRO 61 HA PRO 61 -6.971 14.516 -3.830 340 HB2 PRO 61 HB1 PRO 61 -8.618 13.045 -2.208 341 HB3 PRO 61 HB2 PRO 61 -7.935 14.604 -1.746 342 HG2 PRO 61 HG1 PRO 61 -10.643 13.970 -2.871 343 HG3 PRO 61 HG2 PRO 61 -10.205 15.046 -1.492 344 HD2 PRO 61 HD1 PRO 61 -10.808 16.000 -3.961 345 HD3 PRO 61 HD2 PRO 61 -9.619 16.774 -2.901 346 H PHE 62 H PHE 62 -6.333 12.636 -4.710 347 HA PHE 62 HA PHE 62 -8.258 10.675 -5.625 348 HB2 PHE 62 HB1 PHE 62 -7.144 10.596 -7.918 349 HB3 PHE 62 HB2 PHE 62 -8.234 11.950 -7.615 350 HD1 PHE 62 HD1 PHE 62 -7.551 14.040 -8.255 351 HD2 PHE 62 HD2 PHE 62 -4.612 11.139 -7.228 352 HE1 PHE 62 HE1 PHE 62 -5.775 15.636 -8.848 353 HE2 PHE 62 HE2 PHE 62 -2.830 12.730 -7.817 354 HZ PHE 62 HZ PHE 62 -3.411 14.982 -8.627 355 H CYS 63 H CYS 63 -7.148 8.701 -6.476 356 HA CYS 63 HA CYS 63 -5.026 7.976 -4.702 357 HB2 CYS 63 HB1 CYS 63 -6.730 6.613 -6.712 358 HB3 CYS 63 HB2 CYS 63 -5.153 5.881 -6.404 359 H ALA 64 H ALA 64 -2.899 7.497 -5.162 360 HA ALA 64 HA ALA 64 -1.935 8.078 -7.875 361 HB1 ALA 64 HB1 ALA 64 -1.057 9.382 -5.329 362 HB2 ALA 64 HB2 ALA 64 0.060 9.215 -6.685 363 HB3 ALA 64 HB3 ALA 64 -1.443 10.115 -6.886 364 H THR 65 H THR 65 -1.096 6.201 -8.516 365 HA THR 65 HA THR 65 -0.136 4.173 -6.825 366 HB THR 65 HB THR 65 0.837 4.434 -9.651 367 HG1 THR 65 HG1 THR 65 -1.181 4.611 -10.261 368 HG21 THR 65 HG21 THR 65 1.524 2.370 -9.123 369 HG22 THR 65 HG22 THR 65 -0.174 1.898 -9.189 370 HG23 THR 65 HG23 THR 65 0.559 2.343 -7.648 371 H CYS 66 H CYS 66 1.933 3.504 -6.285 372 HA CYS 66 HA CYS 66 3.817 5.444 -5.668 373 HB2 CYS 66 HB1 CYS 66 5.288 3.675 -5.057 374 HB3 CYS 66 HB2 CYS 66 3.653 3.124 -4.693 375 H ARG 67 H ARG 67 6.211 5.209 -6.438 376 HA ARG 67 HA ARG 67 6.208 5.227 -9.386 377 HB2 ARG 67 HB1 ARG 67 7.642 7.015 -7.418 378 HB3 ARG 67 HB2 ARG 67 8.115 6.899 -9.121 379 HG2 ARG 67 HG1 ARG 67 5.265 7.369 -8.824 380 HG3 ARG 67 HG2 ARG 67 6.243 8.623 -8.045 381 HD2 ARG 67 HD1 ARG 67 7.350 9.178 -10.051 382 HD3 ARG 67 HD2 ARG 67 6.814 7.688 -10.840 383 HE ARG 67 HE ARG 67 4.889 8.755 -11.437 384 HH11 ARG 67 HH11 ARG 67 6.348 10.485 -8.792 385 HH12 ARG 67 HH12 ARG 67 5.209 11.790 -8.847 386 HH21 ARG 67 HH21 ARG 67 3.383 10.467 -11.518 387 HH22 ARG 67 HH22 ARG 67 3.523 11.779 -10.396 388 H GLY 68 H GLY 68 8.623 5.130 -10.189 389 HA2 GLY 68 HA2 GLY 68 9.608 2.574 -9.363 390 HA3 GLY 68 HA3 GLY 68 10.329 3.626 -10.571 391 HA1 GLY 68 HA1 GLY 68 9.447 3.132 -8.701 392 H LEU 69 H LEU 69 12.290 2.679 -9.459 393 HA LEU 69 HA LEU 69 12.946 3.677 -6.850 394 HB2 LEU 69 HB1 LEU 69 14.480 2.223 -8.992 395 HB3 LEU 69 HB2 LEU 69 15.269 2.830 -7.526 396 HG LEU 69 HG LEU 69 13.053 0.785 -7.630 397 HD11 LEU 69 HD11 LEU 69 14.646 -0.843 -7.174 398 HD12 LEU 69 HD12 LEU 69 15.854 0.339 -6.669 399 HD13 LEU 69 HD13 LEU 69 15.441 0.176 -8.376 400 HD21 LEU 69 HD21 LEU 69 14.375 0.863 -5.129 401 HD22 LEU 69 HD22 LEU 69 12.686 1.224 -5.487 402 HD23 LEU 69 HD23 LEU 69 13.891 2.512 -5.528 403 H ARG 70 H ARG 70 14.389 4.253 -10.066 404 HA ARG 70 HA ARG 70 16.028 6.375 -9.342 405 HB2 ARG 70 HB1 ARG 70 14.853 5.367 -11.875 406 HB3 ARG 70 HB2 ARG 70 15.458 7.031 -11.891 407 HG2 ARG 70 HG1 ARG 70 17.527 5.740 -10.683 408 HG3 ARG 70 HG2 ARG 70 16.926 4.500 -11.795 409 HD2 ARG 70 HD1 ARG 70 17.470 5.698 -13.668 410 HD3 ARG 70 HD2 ARG 70 17.237 7.253 -12.857 411 HE ARG 70 HE ARG 70 19.492 5.821 -11.837 412 HH11 ARG 70 HH11 ARG 70 18.390 7.893 -14.409 413 HH12 ARG 70 HH12 ARG 70 19.966 8.523 -14.753 414 HH21 ARG 70 HH21 ARG 70 21.573 6.645 -12.280 415 HH22 ARG 70 HH22 ARG 70 21.776 7.813 -13.542 416 H ARG 71 H ARG 71 12.607 6.279 -9.841 417 HA ARG 71 HA ARG 71 12.075 8.954 -10.437 418 HB2 ARG 71 HB1 ARG 71 10.585 6.636 -9.477 419 HB3 ARG 71 HB2 ARG 71 9.965 8.160 -8.823 420 HG2 ARG 71 HG1 ARG 71 8.816 7.495 -10.889 421 HG3 ARG 71 HG2 ARG 71 9.658 9.045 -11.047 422 HD2 ARG 71 HD1 ARG 71 11.441 8.063 -12.290 423 HD3 ARG 71 HD2 ARG 71 10.872 6.431 -11.912 424 HE ARG 71 HE ARG 71 9.414 6.580 -13.663 425 HH11 ARG 71 HH11 ARG 71 10.455 9.786 -12.791 426 HH12 ARG 71 HH12 ARG 71 9.669 10.547 -14.135 427 HH21 ARG 71 HH21 ARG 71 8.376 7.570 -15.436 428 HH22 ARG 71 HH22 ARG 71 8.486 9.286 -15.639 429 H ARG 72 H ARG 72 11.909 10.787 -9.254 430 HA ARG 72 HA ARG 72 13.225 10.910 -6.740 431 HB2 ARG 72 HB1 ARG 72 11.504 12.999 -8.096 432 HB3 ARG 72 HB2 ARG 72 12.642 13.284 -6.771 433 HG2 ARG 72 HG1 ARG 72 13.666 12.044 -9.283 434 HG3 ARG 72 HG2 ARG 72 13.303 13.778 -9.262 435 HD2 ARG 72 HD1 ARG 72 15.274 14.157 -8.296 436 HD3 ARG 72 HD2 ARG 72 14.717 13.238 -6.891 437 HE ARG 72 HE ARG 72 15.610 11.433 -8.841 438 HH11 ARG 72 HH11 ARG 72 16.855 13.864 -6.682 439 HH12 ARG 72 HH12 ARG 72 18.411 13.119 -6.531 440 HH21 ARG 72 HH21 ARG 72 17.656 10.442 -8.649 441 HH22 ARG 72 HH22 ARG 72 18.866 11.173 -7.650 442 H CYS 73 H CYS 73 12.352 11.599 -4.717 443 HA CYS 73 HA CYS 73 9.486 11.542 -4.333 444 HB2 CYS 73 HB1 CYS 73 9.448 9.704 -2.769 445 HB3 CYS 73 HB2 CYS 73 10.121 9.141 -4.300 446 H GLN 74 H GLN 74 8.897 11.995 -2.051 447 HA GLN 74 HA GLN 74 10.993 13.596 -0.738 448 HB2 GLN 74 HB1 GLN 74 8.045 14.072 -1.094 449 HB3 GLN 74 HB2 GLN 74 8.929 14.834 0.237 450 HG2 GLN 74 HG1 GLN 74 8.857 16.418 -1.513 451 HG3 GLN 74 HG2 GLN 74 10.506 15.774 -1.469 452 HE21 GLN 74 HE21 GLN 74 11.109 16.036 -3.536 453 HE22 GLN 74 HE22 GLN 74 10.327 15.301 -4.889 454 H ARG 75 H ARG 75 8.579 11.146 -0.383 455 HA ARG 75 HA ARG 75 9.456 10.726 2.382 456 HB2 ARG 75 HB1 ARG 75 7.046 10.105 2.933 457 HB3 ARG 75 HB2 ARG 75 7.407 11.827 2.753 458 HG2 ARG 75 HG1 ARG 75 6.428 11.886 0.564 459 HG3 ARG 75 HG2 ARG 75 6.228 10.126 0.571 460 HD2 ARG 75 HD1 ARG 75 4.118 10.673 1.210 461 HD3 ARG 75 HD2 ARG 75 4.883 10.703 2.806 462 HE ARG 75 HE ARG 75 4.564 12.966 2.882 463 HH11 ARG 75 HH11 ARG 75 4.187 11.874 -0.402 464 HH12 ARG 75 HH12 ARG 75 3.621 13.404 -0.985 465 HH21 ARG 75 HH21 ARG 75 3.820 14.987 2.126 466 HH22 ARG 75 HH22 ARG 75 3.414 15.175 0.454 467 H ASP 76 H ASP 76 8.954 8.544 3.183 468 HA ASP 76 HA ASP 76 9.499 6.586 1.140 469 HB2 ASP 76 HB1 ASP 76 8.897 5.872 3.993 470 HB3 ASP 76 HB2 ASP 76 10.040 5.125 2.870 471 HD2 ASP 76 HD ASP 76 12.564 7.322 3.723 472 H ALA 77 H ALA 77 6.739 7.723 2.867 473 HA ALA 77 HA ALA 77 5.089 5.440 2.654 474 HB1 ALA 77 HB1 ALA 77 4.208 8.321 2.737 475 HB2 ALA 77 HB2 ALA 77 3.260 6.902 3.183 476 HB3 ALA 77 HB3 ALA 77 4.656 7.371 4.154 477 H MET 78 H MET 78 5.503 8.281 0.566 478 HA MET 78 HA MET 78 3.524 7.597 -1.316 479 HB2 MET 78 HB1 MET 78 4.449 9.278 -2.713 480 HB3 MET 78 HB2 MET 78 4.657 9.841 -1.049 481 HG2 MET 78 HG1 MET 78 6.778 10.239 -1.602 482 HG3 MET 78 HG2 MET 78 6.992 8.489 -1.503 483 HE1 MET 78 HE1 MET 78 4.882 10.361 -4.336 484 HE2 MET 78 HE2 MET 78 6.132 11.482 -3.798 485 HE3 MET 78 HE3 MET 78 6.205 10.791 -5.420 486 H CYS 79 H CYS 79 6.740 6.441 -0.807 487 HA CYS 79 HA CYS 79 6.967 5.274 -3.452 488 HB2 CYS 79 HB1 CYS 79 8.883 6.219 -1.980 489 HB3 CYS 79 HB2 CYS 79 8.790 4.670 -1.139 490 H CYS 80 H CYS 80 6.826 3.115 -3.952 491 HA CYS 80 HA CYS 80 4.981 1.531 -2.649 492 HB2 CYS 80 HB1 CYS 80 6.972 1.162 -4.771 493 HB3 CYS 80 HB2 CYS 80 6.610 -0.321 -3.884 494 HA PRO 81 HA PRO 81 6.922 -0.387 0.785 495 HB2 PRO 81 HB1 PRO 81 5.948 -2.944 0.668 496 HB3 PRO 81 HB2 PRO 81 4.969 -1.550 1.122 497 HG2 PRO 81 HG1 PRO 81 5.216 -2.917 -1.536 498 HG3 PRO 81 HG2 PRO 81 3.734 -2.365 -0.673 499 HD2 PRO 81 HD1 PRO 81 4.842 -0.970 -2.719 500 HD3 PRO 81 HD2 PRO 81 4.031 -0.183 -1.354 501 H GLY 82 H GLY 82 8.766 -1.460 1.345 502 HA2 GLY 82 HA2 GLY 82 10.352 -3.248 1.055 503 HA3 GLY 82 HA3 GLY 82 9.981 -3.240 -0.663 504 HA1 GLY 82 HA1 GLY 82 10.303 -2.390 1.259 505 H THR 83 H THR 83 10.063 -0.171 -0.433 506 HA THR 83 HA THR 83 13.000 0.049 -0.575 507 HB THR 83 HB THR 83 12.603 1.958 -2.155 508 HG1 THR 83 HG1 THR 83 10.373 1.676 -3.179 509 HG21 THR 83 HG21 THR 83 11.504 0.191 -3.926 510 HG22 THR 83 HG22 THR 83 12.132 -0.888 -2.680 511 HG23 THR 83 HG23 THR 83 13.211 0.251 -3.487 512 H LEU 84 H LEU 84 13.685 2.458 -0.372 513 HA LEU 84 HA LEU 84 12.100 3.825 1.682 514 HB2 LEU 84 HB1 LEU 84 14.104 2.333 2.509 515 HB3 LEU 84 HB2 LEU 84 15.064 3.725 1.976 516 HG LEU 84 HG LEU 84 13.474 5.098 3.498 517 HD11 LEU 84 HD11 LEU 84 13.237 2.464 4.915 518 HD12 LEU 84 HD12 LEU 84 11.985 3.052 3.823 519 HD13 LEU 84 HD13 LEU 84 12.409 3.983 5.259 520 HD21 LEU 84 HD21 LEU 84 15.168 5.162 4.978 521 HD22 LEU 84 HD22 LEU 84 15.981 4.137 3.795 522 HD23 LEU 84 HD23 LEU 84 15.188 3.411 5.194 523 H CYS 85 H CYS 85 12.012 5.984 1.448 524 HA CYS 85 HA CYS 85 13.079 7.174 -0.912 525 HB2 CYS 85 HB1 CYS 85 10.898 7.757 0.300 526 HB3 CYS 85 HB2 CYS 85 11.903 8.672 1.425 527 H VAL 86 H VAL 86 15.177 7.608 -1.102 528 HA VAL 86 HA VAL 86 16.479 9.126 1.049 529 HB VAL 86 HB VAL 86 17.735 6.792 -0.402 530 HG11 VAL 86 HG11 VAL 86 19.684 7.209 1.016 531 HG12 VAL 86 HG12 VAL 86 19.335 8.594 -0.020 532 HG13 VAL 86 HG13 VAL 86 18.892 8.635 1.687 533 HG21 VAL 86 HG21 VAL 86 16.302 7.033 2.115 534 HG22 VAL 86 HG22 VAL 86 16.776 5.590 1.218 535 HG23 VAL 86 HG23 VAL 86 17.920 6.360 2.318 536 H ASN 87 H ASN 87 17.926 10.675 0.383 537 HA ASN 87 HA ASN 87 18.849 12.228 -0.997 538 HB2 ASN 87 HB1 ASN 87 19.784 9.794 -1.841 539 HB3 ASN 87 HB2 ASN 87 19.096 10.452 -3.331 540 HD21 ASN 87 HD21 ASN 87 21.680 10.576 -1.126 541 HD22 ASN 87 HD22 ASN 87 22.569 11.853 -1.876 542 H ASP 88 H ASP 88 15.966 11.850 -1.020 543 HA ASP 88 HA ASP 88 14.147 12.701 -2.087 544 HB2 ASP 88 HB1 ASP 88 16.011 13.899 -4.138 545 HB3 ASP 88 HB2 ASP 88 14.432 14.495 -3.610 546 HD2 ASP 88 HD ASP 88 15.941 15.591 -0.530 547 H VAL 89 H VAL 89 15.446 10.133 -2.893 548 HA VAL 89 HA VAL 89 13.852 9.713 -5.294 549 HB VAL 89 HB VAL 89 16.006 10.228 -6.257 550 HG11 VAL 89 HG11 VAL 89 17.985 8.801 -5.720 551 HG12 VAL 89 HG12 VAL 89 17.470 9.855 -4.402 552 HG13 VAL 89 HG13 VAL 89 17.072 8.137 -4.367 553 HG21 VAL 89 HG21 VAL 89 15.473 7.259 -6.273 554 HG22 VAL 89 HG22 VAL 89 14.723 8.460 -7.325 555 HG23 VAL 89 HG23 VAL 89 16.450 8.129 -7.456 556 H CYS 90 H CYS 90 13.083 7.638 -5.508 557 HA CYS 90 HA CYS 90 12.854 6.069 -3.202 558 HB2 CYS 90 HB1 CYS 90 12.212 5.676 -6.097 559 HB3 CYS 90 HB2 CYS 90 12.148 4.278 -5.021 560 H THR 91 H THR 91 14.566 5.166 -2.243 561 HA THR 91 HA THR 91 16.452 3.642 -3.919 562 HB THR 91 HB THR 91 16.952 4.940 -1.233 563 HG1 THR 91 HG1 THR 91 18.020 5.518 -3.815 564 HG21 THR 91 HG21 THR 91 18.187 2.833 -1.481 565 HG22 THR 91 HG22 THR 91 19.271 4.223 -1.527 566 HG23 THR 91 HG23 THR 91 18.835 3.395 -3.021 567 H THR 92 H THR 92 16.228 1.519 -3.755 568 HA THR 92 HA THR 92 14.569 0.159 -2.022 569 HB THR 92 HB THR 92 16.986 -1.338 -2.821 570 HG1 THR 92 HG1 THR 92 16.773 -1.016 -4.949 571 HG21 THR 92 HG21 THR 92 14.824 -2.501 -4.009 572 HG22 THR 92 HG22 THR 92 14.081 -1.709 -2.619 573 HG23 THR 92 HG23 THR 92 15.391 -2.864 -2.379 574 H MET 93 H MET 93 14.802 -0.901 -0.081 575 HA MET 93 HA MET 93 16.476 0.189 1.851 576 HB2 MET 93 HB1 MET 93 14.965 -2.421 1.734 577 HB3 MET 93 HB2 MET 93 15.887 -1.929 3.163 578 HG2 MET 93 HG1 MET 93 14.525 0.087 3.378 579 HG3 MET 93 HG2 MET 93 13.620 -0.379 1.936 580 HE1 MET 93 HE1 MET 93 12.710 -1.241 6.120 581 HE2 MET 93 HE2 MET 93 13.723 -0.032 5.332 582 HE3 MET 93 HE3 MET 93 11.976 -0.012 5.088 583 H GLU 94 H GLU 94 16.936 -2.605 -0.232 584 HA GLU 94 HA GLU 94 19.179 -3.702 1.059 585 HB2 GLU 94 HB1 GLU 94 18.062 -3.854 -1.719 586 HB3 GLU 94 HB2 GLU 94 19.659 -4.540 -1.381 587 HG2 GLU 94 HG1 GLU 94 18.826 -6.185 0.007 588 HG3 GLU 94 HG2 GLU 94 17.345 -5.279 0.347 589 HE2 GLU 94 HE GLU 94 17.475 -7.489 -2.941 590 H ASP 95 H ASP 95 18.834 -1.079 -1.232 591 HA ASP 95 HA ASP 95 21.636 -0.852 -1.792 592 HB2 ASP 95 HB1 ASP 95 19.867 -0.102 -3.373 593 HB3 ASP 95 HB2 ASP 95 19.437 1.178 -2.231 594 HD2 ASP 95 HD ASP 95 22.852 1.572 -4.219 595 H ALA 96 H ALA 96 19.335 0.863 0.286 596 HA ALA 96 HA ALA 96 21.072 2.845 1.233 597 HB1 ALA 96 HB1 ALA 96 19.250 2.090 3.297 598 HB2 ALA 96 HB2 ALA 96 19.216 3.508 2.247 599 HB3 ALA 96 HB3 ALA 96 18.425 2.015 1.739 600 H THR 97 H THR 97 22.550 2.931 2.846 601 HA THR 97 HA THR 97 22.944 0.537 4.505 602 HB THR 97 HB THR 97 25.179 2.020 3.106 603 HG1 THR 97 HG1 THR 97 23.805 -0.380 2.564 604 HG21 THR 97 HG21 THR 97 26.354 1.225 4.857 605 HG22 THR 97 HG22 THR 97 26.226 -0.320 4.018 606 HG23 THR 97 HG23 THR 97 25.093 0.080 5.310 607 H GLU 98 H GLU 98 24.572 3.681 4.051 608 HA GLU 98 HA GLU 98 23.612 4.819 6.449 609 HB2 GLU 98 HB1 GLU 98 25.752 2.963 6.770 610 HB3 GLU 98 HB2 GLU 98 26.383 4.588 7.077 611 HG2 GLU 98 HG1 GLU 98 25.305 4.782 9.021 612 HG3 GLU 98 HG2 GLU 98 23.816 4.091 8.360 613 HE2 GLU 98 HE GLU 98 25.768 1.854 10.733 614 H ASN 99 H ASN 99 23.391 6.720 5.385 615 HA ASN 99 HA ASN 99 23.931 8.668 4.336 616 HB2 ASN 99 HB1 ASN 99 26.469 8.105 5.878 617 HB3 ASN 99 HB2 ASN 99 26.211 9.605 4.978 618 HD21 ASN 99 HD21 ASN 99 26.629 9.403 7.772 619 HD22 ASN 99 HD22 ASN 99 25.211 9.999 8.559 620 H LEU 100 H LEU 100 23.955 6.783 2.515 621 HA LEU 100 HA LEU 100 24.758 6.126 0.492 622 HB2 LEU 100 HB1 LEU 100 25.147 8.861 0.715 623 HB3 LEU 100 HB2 LEU 100 26.718 8.249 0.168 624 HG LEU 100 HG LEU 100 25.259 7.011 -1.634 625 HD11 LEU 100 HD11 LEU 100 23.550 9.377 -1.654 626 HD12 LEU 100 HD12 LEU 100 23.244 8.290 -0.299 627 HD13 LEU 100 HD13 LEU 100 23.153 7.684 -1.953 628 HD21 LEU 100 HD21 LEU 100 26.122 8.500 -3.081 629 HD22 LEU 100 HD22 LEU 100 26.899 9.167 -1.645 630 HD23 LEU 100 HD23 LEU 100 25.404 9.880 -2.251 631 H TYR 101 H TYR 101 27.074 6.063 -0.792 632 HA TYR 101 HA TYR 101 28.822 4.591 1.047 633 HB2 TYR 101 HB1 TYR 101 27.967 4.223 -1.715 634 HB3 TYR 101 HB2 TYR 101 29.723 4.133 -1.548 635 HD1 TYR 101 HD1 TYR 101 30.404 2.747 0.738 636 HD2 TYR 101 HD2 TYR 101 26.935 2.157 -1.654 637 HE1 TYR 101 HE1 TYR 101 30.238 0.435 1.560 638 HE2 TYR 101 HE2 TYR 101 26.758 -0.157 -0.837 639 HH TYR 101 HH TYR 101 27.719 -1.761 0.370 640 H PHE 102 H PHE 102 30.891 5.165 1.408 641 HA PHE 102 HA PHE 102 31.854 7.597 0.060 642 HB2 PHE 102 HB1 PHE 102 32.029 6.597 2.847 643 HB3 PHE 102 HB2 PHE 102 33.470 7.398 2.219 644 HD1 PHE 102 HD1 PHE 102 33.665 9.671 2.459 645 HD2 PHE 102 HD2 PHE 102 29.782 7.930 2.371 646 HE1 PHE 102 HE1 PHE 102 32.670 11.875 2.911 647 HE2 PHE 102 HE2 PHE 102 28.781 10.131 2.822 648 HZ PHE 102 HZ PHE 102 30.225 12.108 3.092 649 H GLN 103 H GLN 103 33.097 6.958 -1.603 650 HA GLN 103 HA GLN 103 35.168 4.932 -1.067 651 HB2 GLN 103 HB1 GLN 103 33.240 5.095 -3.140 652 HB3 GLN 103 HB2 GLN 103 34.823 5.399 -3.872 653 HG2 GLN 103 HG1 GLN 103 34.945 3.170 -2.038 654 HG3 GLN 103 HG2 GLN 103 33.694 2.931 -3.267 655 HE21 GLN 103 HE21 GLN 103 37.070 3.151 -2.634 656 HE22 GLN 103 HE22 GLN 103 37.616 2.726 -4.216 657 H SER 104 H SER 104 36.867 6.171 -0.431 658 HA SER 104 HA SER 104 38.167 7.752 -2.470 659 HB2 SER 104 HB1 SER 104 38.016 9.235 0.086 660 HB3 SER 104 HB2 SER 104 37.954 9.831 -1.582 661 HG SER 104 HG SER 104 35.954 10.076 -0.436 662 H LEU 105 H LEU 105 40.201 8.865 -1.235 663 HA LEU 105 HA LEU 105 41.341 6.898 0.616 664 HB2 LEU 105 HB1 LEU 105 42.271 7.581 -2.109 665 HB3 LEU 105 HB2 LEU 105 43.519 7.475 -0.855 666 HG LEU 105 HG LEU 105 41.914 5.167 -0.596 667 HD11 LEU 105 HD11 LEU 105 42.610 4.326 -3.014 668 HD12 LEU 105 HD12 LEU 105 42.332 6.023 -3.403 669 HD13 LEU 105 HD13 LEU 105 41.040 5.059 -2.689 670 HD21 LEU 105 HD21 LEU 105 44.707 5.839 -1.381 671 HD22 LEU 105 HD22 LEU 105 44.136 4.187 -1.615 672 HD23 LEU 105 HD23 LEU 105 44.111 4.909 -0.005 673 H GLU 106 H GLU 106 41.803 8.020 2.387 674 HA GLU 106 HA GLU 106 42.460 10.834 2.248 675 HB2 GLU 106 HB1 GLU 106 41.446 9.012 4.230 676 HB3 GLU 106 HB2 GLU 106 42.848 9.878 4.876 677 HG2 GLU 106 HG1 GLU 106 41.835 11.996 4.508 678 HG3 GLU 106 HG2 GLU 106 40.526 11.265 3.569 679 HE2 GLU 106 HE GLU 106 40.239 11.314 7.490 680 H HIS 107 H HIS 107 44.409 11.772 2.706 681 HA HIS 107 HA HIS 107 46.725 9.996 2.599 682 HB2 HIS 107 HB1 HIS 107 46.196 12.845 1.923 683 HB3 HIS 107 HB2 HIS 107 47.828 12.438 2.462 684 HD1 HIS 107 HD1 HIS 107 45.492 10.572 0.102 685 HD2 HIS 107 HD2 HIS 107 49.313 12.201 0.220 686 HE1 HIS 107 HE1 HIS 107 46.541 9.988 -2.108 687 HE2 HIS 107 HE2 HIS 107 48.876 10.983 -2.038 688 H HIS 108 H HIS 108 48.699 10.883 3.867 689 HA HIS 108 HA HIS 108 47.876 11.781 6.540 690 HB2 HIS 108 HB1 HIS 108 49.047 9.208 5.793 691 HB3 HIS 108 HB2 HIS 108 49.979 10.046 7.038 692 HD1 HIS 108 HD1 HIS 108 46.243 10.346 6.897 693 HD2 HIS 108 HD2 HIS 108 49.158 8.360 9.091 694 HE1 HIS 108 HE1 HIS 108 45.041 9.364 8.875 695 HE2 HIS 108 HE2 HIS 108 46.823 8.149 10.218 696 H HIS 109 H HIS 109 49.098 13.374 7.328 697 HA HIS 109 HA HIS 109 51.142 14.560 5.784 698 HB2 HIS 109 HB1 HIS 109 50.337 14.962 8.674 699 HB3 HIS 109 HB2 HIS 109 51.517 15.972 7.834 700 HD1 HIS 109 HD1 HIS 109 50.518 17.196 5.587 701 HD2 HIS 109 HD2 HIS 109 47.783 15.869 8.419 702 HE1 HIS 109 HE1 HIS 109 48.389 18.442 5.101 703 HE2 HIS 109 HE2 HIS 109 46.715 17.631 6.830 704 H HIS 110 H HIS 110 53.115 13.782 5.486 705 HA HIS 110 HA HIS 110 54.322 12.051 7.499 706 HB2 HIS 110 HB1 HIS 110 56.063 11.656 5.758 707 HB3 HIS 110 HB2 HIS 110 54.431 11.230 5.238 708 HD1 HIS 110 HD1 HIS 110 53.309 12.728 3.431 709 HD2 HIS 110 HD2 HIS 110 57.238 13.748 4.320 710 HE1 HIS 110 HE1 HIS 110 54.034 14.282 1.592 711 HE2 HIS 110 HE2 HIS 110 56.435 14.907 2.133 712 H HIS 111 H HIS 111 54.844 15.155 5.924 713 HA HIS 111 HA HIS 111 56.172 16.929 6.439 714 HB2 HIS 111 HB1 HIS 111 55.226 16.014 8.836 715 HB3 HIS 111 HB2 HIS 111 56.971 15.956 9.103 716 HD1 HIS 111 HD1 HIS 111 54.620 18.540 7.568 717 HD2 HIS 111 HD2 HIS 111 57.816 18.260 10.207 718 HE1 HIS 111 HE1 HIS 111 55.058 20.891 8.346 719 HE2 HIS 111 HE2 HIS 111 57.012 20.721 9.959 720 H HIS 112 H HIS 112 58.479 17.452 7.427 721 HA HIS 112 HA HIS 112 60.303 15.702 6.024 722 HB2 HIS 112 HB1 HIS 112 60.446 18.196 5.899 723 HB3 HIS 112 HB2 HIS 112 60.917 18.209 7.601 724 HD1 HIS 112 HD1 HIS 112 62.246 15.718 5.100 725 HD2 HIS 112 HD2 HIS 112 63.518 19.041 7.244 726 HE1 HIS 112 HE1 HIS 112 64.733 15.830 4.751 727 HE2 HIS 112 HE2 HIS 112 65.512 17.862 6.061 Start of MODEL 61 1 H1 MET 18 H MET 18 -51.255 22.372 -49.355 2 HA MET 18 HA MET 18 -49.810 20.788 -50.981 3 HB2 MET 18 HB1 MET 18 -49.124 21.700 -48.184 4 HB3 MET 18 HB2 MET 18 -47.951 20.921 -49.257 5 HG2 MET 18 HG1 MET 18 -47.753 22.733 -50.617 6 HG3 MET 18 HG2 MET 18 -49.419 23.248 -50.338 7 HE1 MET 18 HE1 MET 18 -46.936 24.760 -50.708 8 HE2 MET 18 HE2 MET 18 -47.491 26.148 -49.770 9 HE3 MET 18 HE3 MET 18 -46.011 25.306 -49.309 10 H LEU 19 H LEU 19 -50.899 19.881 -47.731 11 HA LEU 19 HA LEU 19 -51.130 17.865 -46.707 12 HB2 LEU 19 HB1 LEU 19 -51.988 17.508 -49.304 13 HB3 LEU 19 HB2 LEU 19 -50.811 16.202 -49.081 14 HG LEU 19 HG LEU 19 -52.880 16.546 -46.979 15 HD11 LEU 19 HD11 LEU 19 -54.587 15.460 -48.194 16 HD12 LEU 19 HD12 LEU 19 -53.517 15.142 -49.560 17 HD13 LEU 19 HD13 LEU 19 -54.035 16.791 -49.212 18 HD21 LEU 19 HD21 LEU 19 -51.843 14.667 -46.384 19 HD22 LEU 19 HD22 LEU 19 -51.024 14.534 -47.941 20 HD23 LEU 19 HD23 LEU 19 -52.658 13.898 -47.747 21 H VAL 20 H VAL 20 -49.291 17.664 -45.531 22 HA VAL 20 HA VAL 20 -46.917 16.534 -46.844 23 HB VAL 20 HB VAL 20 -46.600 18.633 -45.566 24 HG11 VAL 20 HG11 VAL 20 -48.329 17.596 -43.763 25 HG12 VAL 20 HG12 VAL 20 -46.789 17.276 -42.964 26 HG13 VAL 20 HG13 VAL 20 -47.221 18.924 -43.422 27 HG21 VAL 20 HG21 VAL 20 -45.167 16.437 -44.115 28 HG22 VAL 20 HG22 VAL 20 -44.863 16.746 -45.824 29 HG23 VAL 20 HG23 VAL 20 -44.560 18.010 -44.632 30 H LEU 21 H LEU 21 -45.963 14.657 -46.129 31 HA LEU 21 HA LEU 21 -47.678 12.906 -44.557 32 HB2 LEU 21 HB1 LEU 21 -45.247 12.464 -46.276 33 HB3 LEU 21 HB2 LEU 21 -45.897 11.196 -45.224 34 HG LEU 21 HG LEU 21 -48.049 12.182 -46.778 35 HD11 LEU 21 HD11 LEU 21 -45.485 11.873 -48.272 36 HD12 LEU 21 HD12 LEU 21 -46.782 13.047 -48.493 37 HD13 LEU 21 HD13 LEU 21 -47.002 11.380 -49.023 38 HD21 LEU 21 HD21 LEU 21 -47.885 9.940 -45.881 39 HD22 LEU 21 HD22 LEU 21 -46.474 9.612 -46.887 40 HD23 LEU 21 HD23 LEU 21 -48.049 9.872 -47.636 41 H ASP 22 H ASP 22 -47.353 12.508 -42.476 42 HA ASP 22 HA ASP 22 -44.891 13.441 -41.218 43 HB2 ASP 22 HB1 ASP 22 -46.073 13.136 -39.099 44 HB3 ASP 22 HB2 ASP 22 -47.039 14.103 -40.220 45 HD2 ASP 22 HD ASP 22 -48.325 10.411 -39.492 46 H PHE 23 H PHE 23 -43.842 12.091 -39.572 47 HA PHE 23 HA PHE 23 -44.139 9.209 -40.028 48 HB2 PHE 23 HB1 PHE 23 -41.620 10.844 -40.294 49 HB3 PHE 23 HB2 PHE 23 -41.561 9.120 -39.921 50 HD1 PHE 23 HD1 PHE 23 -41.575 7.550 -41.617 51 HD2 PHE 23 HD2 PHE 23 -42.968 11.492 -42.416 52 HE1 PHE 23 HE1 PHE 23 -41.760 6.997 -44.007 53 HE2 PHE 23 HE2 PHE 23 -43.156 10.945 -44.806 54 HZ PHE 23 HZ PHE 23 -42.553 8.695 -45.605 55 H ASN 24 H ASN 24 -45.135 10.609 -37.853 56 HA ASN 24 HA ASN 24 -45.213 10.547 -35.581 57 HB2 ASN 24 HB1 ASN 24 -43.021 8.473 -35.669 58 HB3 ASN 24 HB2 ASN 24 -44.304 8.660 -34.467 59 HD21 ASN 24 HD21 ASN 24 -43.348 7.057 -37.242 60 HD22 ASN 24 HD22 ASN 24 -44.861 6.335 -37.660 61 H ASN 25 H ASN 25 -43.717 10.675 -33.543 62 HA ASN 25 HA ASN 25 -41.087 11.675 -33.852 63 HB2 ASN 25 HB1 ASN 25 -42.995 13.543 -34.547 64 HB3 ASN 25 HB2 ASN 25 -42.674 13.927 -32.852 65 HD21 ASN 25 HD21 ASN 25 -42.002 15.294 -35.427 66 HD22 ASN 25 HD22 ASN 25 -40.303 15.594 -35.331 67 H ILE 26 H ILE 26 -40.186 12.476 -31.802 68 HA ILE 26 HA ILE 26 -41.785 11.871 -29.430 69 HB ILE 26 HB ILE 26 -40.015 10.504 -28.441 70 HG12 ILE 26 HG11 ILE 26 -38.615 9.896 -30.923 71 HG13 ILE 26 HG12 ILE 26 -38.422 11.591 -30.447 72 HG21 ILE 26 HG21 ILE 26 -40.974 9.497 -31.116 73 HG22 ILE 26 HG22 ILE 26 -40.325 8.490 -29.823 74 HG23 ILE 26 HG23 ILE 26 -41.830 9.376 -29.579 75 HD11 ILE 26 HD11 ILE 26 -37.773 10.717 -28.151 76 HD12 ILE 26 HD12 ILE 26 -37.622 9.140 -28.926 77 HD13 ILE 26 HD13 ILE 26 -36.618 10.486 -29.463 78 H ARG 27 H ARG 27 -40.996 12.809 -27.498 79 HA ARG 27 HA ARG 27 -38.596 14.308 -27.363 80 HB2 ARG 27 HB1 ARG 27 -40.916 15.622 -28.508 81 HB3 ARG 27 HB2 ARG 27 -40.373 16.438 -27.034 82 HG2 ARG 27 HG1 ARG 27 -38.003 16.043 -28.319 83 HG3 ARG 27 HG2 ARG 27 -39.117 16.297 -29.673 84 HD2 ARG 27 HD1 ARG 27 -38.752 18.487 -29.298 85 HD3 ARG 27 HD2 ARG 27 -39.905 18.265 -27.975 86 HE ARG 27 HE ARG 27 -37.455 17.619 -26.913 87 HH11 ARG 27 HH11 ARG 27 -38.874 20.403 -28.450 88 HH12 ARG 27 HH12 ARG 27 -37.896 21.541 -27.586 89 HH21 ARG 27 HH21 ARG 27 -36.161 19.109 -25.769 90 HH22 ARG 27 HH22 ARG 27 -36.352 20.805 -26.062 91 H SER 28 H SER 28 -38.729 15.889 -25.396 92 HA SER 28 HA SER 28 -38.956 16.091 -23.142 93 HB2 SER 28 HB1 SER 28 -41.516 16.083 -24.181 94 HB3 SER 28 HB2 SER 28 -41.595 14.832 -22.927 95 HG SER 28 HG SER 28 -40.734 17.514 -22.583 96 H SER 29 H SER 29 -40.041 14.631 -21.157 97 HA SER 29 HA SER 29 -39.569 12.847 -19.821 98 HB2 SER 29 HB1 SER 29 -39.794 11.084 -22.255 99 HB3 SER 29 HB2 SER 29 -40.321 10.764 -20.594 100 HG SER 29 HG SER 29 -42.188 11.507 -21.165 101 H ALA 30 H ALA 30 -37.369 13.580 -19.573 102 HA ALA 30 HA ALA 30 -35.473 11.568 -20.484 103 HB1 ALA 30 HB1 ALA 30 -34.216 14.145 -20.728 104 HB2 ALA 30 HB2 ALA 30 -34.336 12.838 -21.907 105 HB3 ALA 30 HB3 ALA 30 -35.625 14.035 -21.784 106 H ASP 31 H ASP 31 -33.820 11.202 -19.061 107 HA ASP 31 HA ASP 31 -33.081 13.039 -17.011 108 HB2 ASP 31 HB1 ASP 31 -35.382 11.715 -16.405 109 HB3 ASP 31 HB2 ASP 31 -34.173 10.609 -15.740 110 HD2 ASP 31 HD ASP 31 -33.103 13.076 -13.427 111 H LEU 32 H LEU 32 -31.012 12.659 -16.579 112 HA LEU 32 HA LEU 32 -29.993 9.974 -16.303 113 HB2 LEU 32 HB1 LEU 32 -28.108 10.557 -17.981 114 HB3 LEU 32 HB2 LEU 32 -29.664 9.957 -18.581 115 HG LEU 32 HG LEU 32 -28.582 11.886 -19.846 116 HD11 LEU 32 HD11 LEU 32 -30.613 12.353 -20.659 117 HD12 LEU 32 HD12 LEU 32 -31.235 12.860 -19.090 118 HD13 LEU 32 HD13 LEU 32 -31.180 11.147 -19.505 119 HD21 LEU 32 HD21 LEU 32 -28.688 14.056 -18.990 120 HD22 LEU 32 HD22 LEU 32 -28.062 13.096 -17.649 121 HD23 LEU 32 HD23 LEU 32 -29.758 13.583 -17.670 122 H HIS 33 H HIS 33 -30.263 12.409 -14.695 123 HA HIS 33 HA HIS 33 -27.421 12.772 -14.016 124 HB2 HIS 33 HB1 HIS 33 -27.867 15.080 -13.372 125 HB3 HIS 33 HB2 HIS 33 -28.293 14.819 -15.066 126 HD1 HIS 33 HD1 HIS 33 -29.651 16.125 -11.971 127 HD2 HIS 33 HD2 HIS 33 -31.193 14.471 -15.456 128 HE1 HIS 33 HE1 HIS 33 -32.078 16.778 -12.008 129 HE2 HIS 33 HE2 HIS 33 -33.023 15.768 -14.139 130 H GLY 34 H GLY 34 -26.892 12.722 -11.862 131 HA2 GLY 34 HA2 GLY 34 -28.981 12.705 -9.844 132 HA3 GLY 34 HA3 GLY 34 -28.153 11.171 -10.074 133 HA1 GLY 34 HA1 GLY 34 -28.378 13.285 -10.126 134 H ALA 35 H ALA 35 -28.128 14.102 -8.442 135 HA ALA 35 HA ALA 35 -26.706 15.052 -6.941 136 HB1 ALA 35 HB1 ALA 35 -25.681 13.624 -5.525 137 HB2 ALA 35 HB2 ALA 35 -26.580 12.414 -6.443 138 HB3 ALA 35 HB3 ALA 35 -24.887 12.733 -6.825 139 H ARG 36 H ARG 36 -24.296 15.560 -6.541 140 HA ARG 36 HA ARG 36 -22.517 15.299 -8.770 141 HB2 ARG 36 HB1 ARG 36 -22.353 17.805 -9.135 142 HB3 ARG 36 HB2 ARG 36 -23.793 17.010 -9.789 143 HG2 ARG 36 HG1 ARG 36 -25.051 17.731 -7.761 144 HG3 ARG 36 HG2 ARG 36 -23.619 18.652 -7.274 145 HD2 ARG 36 HD1 ARG 36 -24.324 19.217 -10.027 146 HD3 ARG 36 HD2 ARG 36 -25.688 19.510 -8.938 147 HE ARG 36 HE ARG 36 -23.248 20.646 -7.967 148 HH11 ARG 36 HH11 ARG 36 -25.929 21.130 -10.135 149 HH12 ARG 36 HH12 ARG 36 -25.799 22.858 -10.119 150 HH21 ARG 36 HH21 ARG 36 -23.066 22.919 -7.939 151 HH22 ARG 36 HH22 ARG 36 -24.169 23.874 -8.871 152 H LYS 37 H LYS 37 -21.914 14.454 -6.394 153 HA LYS 37 HA LYS 37 -19.702 16.055 -5.589 154 HB2 LYS 37 HB1 LYS 37 -20.470 16.274 -3.181 155 HB3 LYS 37 HB2 LYS 37 -21.239 17.361 -4.348 156 HG2 LYS 37 HG1 LYS 37 -23.242 16.076 -4.370 157 HG3 LYS 37 HG2 LYS 37 -22.475 14.772 -3.447 158 HD2 LYS 37 HD1 LYS 37 -22.067 16.797 -1.733 159 HD3 LYS 37 HD2 LYS 37 -23.541 17.376 -2.526 160 HE2 LYS 37 HE1 LYS 37 -24.567 15.115 -2.062 161 HE3 LYS 37 HE2 LYS 37 -23.144 14.769 -1.068 162 HZ1 LYS 37 HZ1 LYS 37 -24.460 15.621 0.533 163 HZ2 LYS 37 HZ2 LYS 37 -25.380 16.553 -0.538 164 HZ3 LYS 37 HZ3 LYS 37 -23.859 17.096 -0.036 165 H GLY 38 H GLY 38 -18.249 14.930 -4.271 166 HA2 GLY 38 HA2 GLY 38 -18.393 12.851 -2.649 167 HA3 GLY 38 HA3 GLY 38 -18.750 12.052 -4.173 168 HA1 GLY 38 HA1 GLY 38 -17.924 13.552 -2.912 169 H SER 39 H SER 39 -16.464 11.818 -2.263 170 HA SER 39 HA SER 39 -14.273 12.531 -4.097 171 HB2 SER 39 HB1 SER 39 -13.368 11.699 -1.474 172 HB3 SER 39 HB2 SER 39 -13.100 13.234 -2.320 173 HG SER 39 HG SER 39 -14.250 13.728 -0.506 174 H GLN 40 H GLN 40 -12.328 10.977 -3.792 175 HA GLN 40 HA GLN 40 -13.355 8.278 -4.232 176 HB2 GLN 40 HB1 GLN 40 -11.416 9.824 -5.512 177 HB3 GLN 40 HB2 GLN 40 -10.497 8.600 -4.621 178 HG2 GLN 40 HG1 GLN 40 -10.880 7.188 -6.281 179 HG3 GLN 40 HG2 GLN 40 -12.587 7.198 -5.810 180 HE21 GLN 40 HE21 GLN 40 -10.724 7.394 -8.387 181 HE22 GLN 40 HE22 GLN 40 -11.641 8.464 -9.386 182 H CYS 41 H CYS 41 -10.509 9.706 -2.616 183 HA CYS 41 HA CYS 41 -10.838 7.713 -0.476 184 HB2 CYS 41 HB1 CYS 41 -8.313 7.652 -0.335 185 HB3 CYS 41 HB2 CYS 41 -9.019 6.867 -1.747 186 H LEU 42 H LEU 42 -10.236 8.368 1.596 187 HA LEU 42 HA LEU 42 -10.025 11.278 1.916 188 HB2 LEU 42 HB1 LEU 42 -11.520 9.221 3.240 189 HB3 LEU 42 HB2 LEU 42 -10.451 10.019 4.407 190 HG LEU 42 HG LEU 42 -12.660 11.036 4.407 191 HD11 LEU 42 HD11 LEU 42 -10.528 12.379 4.730 192 HD12 LEU 42 HD12 LEU 42 -11.985 13.285 4.327 193 HD13 LEU 42 HD13 LEU 42 -10.776 12.965 3.085 194 HD21 LEU 42 HD21 LEU 42 -12.153 11.879 1.563 195 HD22 LEU 42 HD22 LEU 42 -13.625 12.080 2.514 196 HD23 LEU 42 HD23 LEU 42 -13.125 10.470 1.992 197 H SER 43 H SER 43 -8.384 8.286 2.526 198 HA SER 43 HA SER 43 -6.044 9.764 3.430 199 HB2 SER 43 HB1 SER 43 -7.406 9.047 5.469 200 HB3 SER 43 HB2 SER 43 -6.995 7.381 5.023 201 HG SER 43 HG SER 43 -5.504 9.157 6.345 202 H ASP 44 H ASP 44 -4.132 8.218 3.664 203 HA ASP 44 HA ASP 44 -3.717 6.891 1.239 204 HB2 ASP 44 HB1 ASP 44 -1.668 5.964 2.325 205 HB3 ASP 44 HB2 ASP 44 -1.841 7.714 2.511 206 HD2 ASP 44 HD ASP 44 -2.465 7.399 5.953 207 H THR 45 H THR 45 -4.953 5.756 4.295 208 HA THR 45 HA THR 45 -4.667 2.970 3.741 209 HB THR 45 HB THR 45 -6.584 2.914 5.582 210 HG1 THR 45 HG1 THR 45 -7.099 4.892 6.133 211 HG21 THR 45 HG21 THR 45 -3.927 3.903 6.530 212 HG22 THR 45 HG22 THR 45 -4.024 2.372 5.660 213 HG23 THR 45 HG23 THR 45 -4.926 2.594 7.158 214 H ASP 46 H ASP 46 -7.012 5.390 2.944 215 HA ASP 46 HA ASP 46 -9.211 3.669 2.433 216 HB2 ASP 46 HB1 ASP 46 -8.854 6.388 2.542 217 HB3 ASP 46 HB2 ASP 46 -9.063 6.113 0.808 218 HD2 ASP 46 HD ASP 46 -12.357 4.920 1.328 219 H CYS 47 H CYS 47 -6.404 4.600 0.604 220 HA CYS 47 HA CYS 47 -7.246 4.033 -1.990 221 HB2 CYS 47 HB1 CYS 47 -4.672 4.248 -0.573 222 HB3 CYS 47 HB2 CYS 47 -4.629 3.218 -2.006 223 H ASN 48 H ASN 48 -5.115 1.858 -0.148 224 HA ASN 48 HA ASN 48 -6.802 -0.415 -0.487 225 HB2 ASN 48 HB1 ASN 48 -5.325 0.222 -2.739 226 HB3 ASN 48 HB2 ASN 48 -4.323 -0.993 -1.931 227 HD21 ASN 48 HD21 ASN 48 -5.376 -3.020 -1.327 228 HD22 ASN 48 HD22 ASN 48 -6.622 -3.643 -2.349 229 H THR 49 H THR 49 -3.281 0.167 -0.451 230 HA THR 49 HA THR 49 -2.883 -0.379 2.258 231 HB THR 49 HB THR 49 -3.581 -2.629 1.932 232 HG1 THR 49 HG1 THR 49 -1.616 -2.385 3.126 233 HG21 THR 49 HG21 THR 49 -3.399 -2.657 -0.532 234 HG22 THR 49 HG22 THR 49 -2.691 -4.091 0.211 235 HG23 THR 49 HG23 THR 49 -1.648 -2.798 -0.382 236 H ARG 50 H ARG 50 -1.562 -0.783 -0.996 237 HA ARG 50 HA ARG 50 1.035 0.178 0.012 238 HB2 ARG 50 HB1 ARG 50 2.112 -0.975 -1.804 239 HB3 ARG 50 HB2 ARG 50 1.059 -2.115 -0.953 240 HG2 ARG 50 HG1 ARG 50 -0.627 -1.192 -2.879 241 HG3 ARG 50 HG2 ARG 50 0.935 -1.142 -3.712 242 HD2 ARG 50 HD1 ARG 50 -0.311 -3.536 -2.342 243 HD3 ARG 50 HD2 ARG 50 -0.103 -3.290 -4.082 244 HE ARG 50 HE ARG 50 2.426 -3.131 -3.150 245 HH11 ARG 50 HH11 ARG 50 -0.125 -5.461 -2.729 246 HH12 ARG 50 HH12 ARG 50 0.955 -6.804 -2.542 247 HH21 ARG 50 HH21 ARG 50 3.859 -4.890 -2.904 248 HH22 ARG 50 HH22 ARG 50 3.220 -6.476 -2.641 249 H LYS 51 H LYS 51 -1.239 1.829 -0.739 250 HA LYS 51 HA LYS 51 0.100 3.433 -2.788 251 HB2 LYS 51 HB1 LYS 51 -2.601 2.212 -2.976 252 HB3 LYS 51 HB2 LYS 51 -2.453 3.894 -3.511 253 HG2 LYS 51 HG1 LYS 51 -1.997 2.891 -5.487 254 HG3 LYS 51 HG2 LYS 51 -0.360 2.884 -4.807 255 HD2 LYS 51 HD1 LYS 51 -0.371 0.629 -4.407 256 HD3 LYS 51 HD2 LYS 51 -2.126 0.582 -4.166 257 HE2 LYS 51 HE1 LYS 51 -1.261 1.321 -6.890 258 HE3 LYS 51 HE2 LYS 51 -0.856 -0.327 -6.384 259 HZ1 LYS 51 HZ1 LYS 51 -3.344 0.683 -7.209 260 HZ2 LYS 51 HZ2 LYS 51 -3.488 0.162 -5.606 261 HZ3 LYS 51 HZ3 LYS 51 -2.938 -0.907 -6.797 262 H PHE 52 H PHE 52 -0.470 5.673 -2.748 263 HA PHE 52 HA PHE 52 -1.601 6.513 -0.162 264 HB2 PHE 52 HB1 PHE 52 -0.264 8.598 -0.466 265 HB3 PHE 52 HB2 PHE 52 0.719 7.139 -0.324 266 HD1 PHE 52 HD1 PHE 52 -0.553 9.646 -2.703 267 HD2 PHE 52 HD2 PHE 52 2.132 6.404 -2.076 268 HE1 PHE 52 HE1 PHE 52 0.580 10.180 -4.821 269 HE2 PHE 52 HE2 PHE 52 3.270 6.933 -4.192 270 HZ PHE 52 HZ PHE 52 2.495 8.824 -5.568 271 H CYS 53 H CYS 53 -3.023 8.265 -0.086 272 HA CYS 53 HA CYS 53 -4.572 8.636 -2.511 273 HB2 CYS 53 HB1 CYS 53 -5.705 8.190 -0.371 274 HB3 CYS 53 HB2 CYS 53 -5.034 9.682 0.291 275 H LEU 54 H LEU 54 -3.331 9.945 -3.829 276 HA LEU 54 HA LEU 54 -2.068 12.328 -2.955 277 HB2 LEU 54 HB1 LEU 54 -1.382 11.089 -4.962 278 HB3 LEU 54 HB2 LEU 54 -2.921 11.515 -5.730 279 HG LEU 54 HG LEU 54 -2.111 13.971 -5.317 280 HD11 LEU 54 HD11 LEU 54 0.109 14.352 -5.002 281 HD12 LEU 54 HD12 LEU 54 0.592 12.820 -5.730 282 HD13 LEU 54 HD13 LEU 54 -0.049 12.851 -4.087 283 HD21 LEU 54 HD21 LEU 54 -2.240 13.744 -7.528 284 HD22 LEU 54 HD22 LEU 54 -1.740 12.053 -7.461 285 HD23 LEU 54 HD23 LEU 54 -0.524 13.333 -7.493 286 H GLN 55 H GLN 55 -2.873 14.294 -2.613 287 HA GLN 55 HA GLN 55 -5.531 14.928 -3.714 288 HB2 GLN 55 HB1 GLN 55 -4.454 15.816 -1.028 289 HB3 GLN 55 HB2 GLN 55 -6.066 16.142 -1.683 290 HG2 GLN 55 HG1 GLN 55 -6.325 13.579 -1.766 291 HG3 GLN 55 HG2 GLN 55 -4.941 13.566 -0.663 292 HE21 GLN 55 HE21 GLN 55 -7.469 12.587 0.007 293 HE22 GLN 55 HE22 GLN 55 -8.122 13.571 1.268 294 HA PRO 56 HA PRO 56 -2.641 18.109 -5.299 295 HB2 PRO 56 HB1 PRO 56 -3.998 18.473 -7.650 296 HB3 PRO 56 HB2 PRO 56 -2.817 17.190 -7.398 297 HG2 PRO 56 HG1 PRO 56 -5.807 17.087 -7.202 298 HG3 PRO 56 HG2 PRO 56 -4.676 15.934 -8.005 299 HD2 PRO 56 HD1 PRO 56 -5.774 15.454 -5.569 300 HD3 PRO 56 HD2 PRO 56 -4.145 14.914 -6.007 301 H ARG 57 H ARG 57 -2.893 20.335 -5.444 302 HA ARG 57 HA ARG 57 -5.287 21.386 -4.211 303 HB2 ARG 57 HB1 ARG 57 -2.607 22.097 -4.190 304 HB3 ARG 57 HB2 ARG 57 -3.368 23.359 -5.170 305 HG2 ARG 57 HG1 ARG 57 -5.111 23.293 -3.130 306 HG3 ARG 57 HG2 ARG 57 -3.636 22.780 -2.292 307 HD2 ARG 57 HD1 ARG 57 -2.835 24.861 -2.282 308 HD3 ARG 57 HD2 ARG 57 -3.057 24.989 -4.032 309 HE ARG 57 HE ARG 57 -5.562 25.320 -2.913 310 HH11 ARG 57 HH11 ARG 57 -2.471 26.916 -2.784 311 HH12 ARG 57 HH12 ARG 57 -3.146 28.484 -2.489 312 HH21 ARG 57 HH21 ARG 57 -6.463 27.379 -2.526 313 HH22 ARG 57 HH22 ARG 57 -5.417 28.747 -2.341 314 H ASP 58 H ASP 58 -3.903 21.178 -7.379 315 HA ASP 58 HA ASP 58 -5.710 23.181 -8.474 316 HB2 ASP 58 HB1 ASP 58 -3.382 21.613 -9.513 317 HB3 ASP 58 HB2 ASP 58 -4.555 22.258 -10.669 318 HD2 ASP 58 HD ASP 58 -3.388 25.468 -10.301 319 H GLU 59 H GLU 59 -5.493 19.764 -8.079 320 HA GLU 59 HA GLU 59 -7.906 19.437 -9.740 321 HB2 GLU 59 HB1 GLU 59 -5.372 18.064 -9.871 322 HB3 GLU 59 HB2 GLU 59 -6.669 16.921 -9.492 323 HG2 GLU 59 HG1 GLU 59 -6.867 16.815 -11.728 324 HG3 GLU 59 HG2 GLU 59 -7.843 18.271 -11.485 325 HE2 GLU 59 HE GLU 59 -4.478 18.571 -13.466 326 H LYS 60 H LYS 60 -8.850 17.085 -9.092 327 HA LYS 60 HA LYS 60 -9.600 17.392 -6.304 328 HB2 LYS 60 HB1 LYS 60 -10.670 15.927 -8.669 329 HB3 LYS 60 HB2 LYS 60 -11.044 15.279 -7.064 330 HG2 LYS 60 HG1 LYS 60 -12.048 17.394 -6.404 331 HG3 LYS 60 HG2 LYS 60 -11.632 18.088 -7.980 332 HD2 LYS 60 HD1 LYS 60 -13.627 17.400 -8.709 333 HD3 LYS 60 HD2 LYS 60 -12.999 15.747 -8.599 334 HE2 LYS 60 HE1 LYS 60 -13.682 15.983 -6.065 335 HE3 LYS 60 HE2 LYS 60 -14.751 17.240 -6.702 336 HZ1 LYS 60 HZ1 LYS 60 -16.145 15.697 -7.418 337 HZ2 LYS 60 HZ2 LYS 60 -15.188 14.505 -6.697 338 HZ3 LYS 60 HZ3 LYS 60 -14.933 14.929 -8.314 339 HA PRO 61 HA PRO 61 -7.213 14.125 -4.610 340 HB2 PRO 61 HB1 PRO 61 -8.959 12.963 -2.849 341 HB3 PRO 61 HB2 PRO 61 -8.233 14.548 -2.595 342 HG2 PRO 61 HG1 PRO 61 -10.929 13.849 -3.707 343 HG3 PRO 61 HG2 PRO 61 -10.489 15.100 -2.484 344 HD2 PRO 61 HD1 PRO 61 -10.984 15.704 -5.084 345 HD3 PRO 61 HD2 PRO 61 -9.796 16.583 -4.108 346 H PHE 62 H PHE 62 -6.741 11.953 -4.818 347 HA PHE 62 HA PHE 62 -8.636 9.975 -5.548 348 HB2 PHE 62 HB1 PHE 62 -7.718 9.525 -7.844 349 HB3 PHE 62 HB2 PHE 62 -8.672 11.003 -7.707 350 HD1 PHE 62 HD1 PHE 62 -7.837 12.992 -8.521 351 HD2 PHE 62 HD2 PHE 62 -5.138 9.841 -7.573 352 HE1 PHE 62 HE1 PHE 62 -5.979 14.309 -9.452 353 HE2 PHE 62 HE2 PHE 62 -3.276 11.153 -8.502 354 HZ PHE 62 HZ PHE 62 -3.694 13.390 -9.443 355 H CYS 63 H CYS 63 -7.345 7.977 -6.514 356 HA CYS 63 HA CYS 63 -5.082 7.596 -4.700 357 HB2 CYS 63 HB1 CYS 63 -7.088 6.014 -4.790 358 HB3 CYS 63 HB2 CYS 63 -6.452 5.470 -6.344 359 H ALA 64 H ALA 64 -3.059 7.590 -5.411 360 HA ALA 64 HA ALA 64 -2.578 7.101 -8.279 361 HB1 ALA 64 HB1 ALA 64 -0.436 8.619 -7.408 362 HB2 ALA 64 HB2 ALA 64 -1.802 9.186 -8.371 363 HB3 ALA 64 HB3 ALA 64 -1.830 9.355 -6.616 364 H THR 65 H THR 65 -1.369 5.376 -8.671 365 HA THR 65 HA THR 65 -0.313 3.676 -6.774 366 HB THR 65 HB THR 65 -0.602 2.837 -8.978 367 HG1 THR 65 HG1 THR 65 1.118 1.791 -8.076 368 HG21 THR 65 HG21 THR 65 0.752 3.647 -10.890 369 HG22 THR 65 HG22 THR 65 1.386 4.933 -9.861 370 HG23 THR 65 HG23 THR 65 -0.334 4.880 -10.249 371 H CYS 66 H CYS 66 1.938 3.115 -6.317 372 HA CYS 66 HA CYS 66 3.397 5.229 -5.263 373 HB2 CYS 66 HB1 CYS 66 5.232 3.641 -4.973 374 HB3 CYS 66 HB2 CYS 66 3.689 2.900 -4.546 375 H ARG 67 H ARG 67 5.828 5.545 -5.873 376 HA ARG 67 HA ARG 67 5.885 6.246 -8.728 377 HB2 ARG 67 HB1 ARG 67 7.650 7.366 -6.547 378 HB3 ARG 67 HB2 ARG 67 7.415 8.001 -8.182 379 HG2 ARG 67 HG1 ARG 67 4.863 7.896 -6.962 380 HG3 ARG 67 HG2 ARG 67 5.986 8.624 -5.801 381 HD2 ARG 67 HD1 ARG 67 6.698 10.265 -7.453 382 HD3 ARG 67 HD2 ARG 67 5.667 9.499 -8.669 383 HE ARG 67 HE ARG 67 4.839 11.300 -6.588 384 HH11 ARG 67 HH11 ARG 67 3.832 8.767 -8.753 385 HH12 ARG 67 HH12 ARG 67 2.163 9.235 -8.734 386 HH21 ARG 67 HH21 ARG 67 2.646 11.928 -6.556 387 HH22 ARG 67 HH22 ARG 67 1.491 11.034 -7.485 388 H GLY 68 H GLY 68 8.183 6.325 -9.648 389 HA2 GLY 68 HA2 GLY 68 9.282 3.696 -9.459 390 HA3 GLY 68 HA3 GLY 68 9.913 5.018 -10.429 391 HA1 GLY 68 HA1 GLY 68 9.146 4.087 -8.678 392 H LEU 69 H LEU 69 12.027 4.256 -9.804 393 HA LEU 69 HA LEU 69 12.790 4.519 -7.021 394 HB2 LEU 69 HB1 LEU 69 14.139 3.623 -9.536 395 HB3 LEU 69 HB2 LEU 69 15.122 4.097 -8.140 396 HG LEU 69 HG LEU 69 13.059 1.895 -8.164 397 HD11 LEU 69 HD11 LEU 69 15.085 1.398 -9.481 398 HD12 LEU 69 HD12 LEU 69 14.932 0.379 -8.049 399 HD13 LEU 69 HD13 LEU 69 16.067 1.729 -8.053 400 HD21 LEU 69 HD21 LEU 69 13.174 2.855 -5.979 401 HD22 LEU 69 HD22 LEU 69 14.936 2.884 -6.024 402 HD23 LEU 69 HD23 LEU 69 14.080 1.343 -5.956 403 H ARG 70 H ARG 70 13.926 5.966 -10.081 404 HA ARG 70 HA ARG 70 15.513 7.954 -8.954 405 HB2 ARG 70 HB1 ARG 70 14.202 7.517 -11.582 406 HB3 ARG 70 HB2 ARG 70 14.726 9.168 -11.223 407 HG2 ARG 70 HG1 ARG 70 16.837 7.383 -10.520 408 HG3 ARG 70 HG2 ARG 70 16.279 7.005 -12.157 409 HD2 ARG 70 HD1 ARG 70 16.757 9.153 -12.961 410 HD3 ARG 70 HD2 ARG 70 16.802 9.837 -11.331 411 HE ARG 70 HE ARG 70 18.967 8.617 -12.737 412 HH11 ARG 70 HH11 ARG 70 17.640 9.196 -9.571 413 HH12 ARG 70 HH12 ARG 70 19.169 9.091 -8.766 414 HH21 ARG 70 HH21 ARG 70 20.989 8.477 -11.689 415 HH22 ARG 70 HH22 ARG 70 21.074 8.682 -9.972 416 H ARG 71 H ARG 71 12.076 7.740 -9.247 417 HA ARG 71 HA ARG 71 11.313 10.407 -9.172 418 HB2 ARG 71 HB1 ARG 71 10.093 7.843 -8.260 419 HB3 ARG 71 HB2 ARG 71 9.356 9.354 -7.707 420 HG2 ARG 71 HG1 ARG 71 9.921 8.926 -10.620 421 HG3 ARG 71 HG2 ARG 71 8.474 8.241 -9.860 422 HD2 ARG 71 HD1 ARG 71 7.717 10.426 -9.172 423 HD3 ARG 71 HD2 ARG 71 9.231 11.155 -9.727 424 HE ARG 71 HE ARG 71 8.000 9.837 -11.883 425 HH11 ARG 71 HH11 ARG 71 7.589 12.628 -9.845 426 HH12 ARG 71 HH12 ARG 71 6.749 13.547 -11.050 427 HH21 ARG 71 HH21 ARG 71 6.897 11.037 -13.480 428 HH22 ARG 71 HH22 ARG 71 6.356 12.641 -13.117 429 H ARG 72 H ARG 72 10.948 11.893 -7.550 430 HA ARG 72 HA ARG 72 12.598 11.613 -5.210 431 HB2 ARG 72 HB1 ARG 72 10.683 13.851 -5.911 432 HB3 ARG 72 HB2 ARG 72 12.013 13.912 -4.746 433 HG2 ARG 72 HG1 ARG 72 13.169 13.121 -7.182 434 HG3 ARG 72 HG2 ARG 72 12.047 14.439 -7.559 435 HD2 ARG 72 HD1 ARG 72 13.956 14.669 -5.248 436 HD3 ARG 72 HD2 ARG 72 14.482 15.014 -6.901 437 HE ARG 72 HE ARG 72 12.094 16.418 -6.279 438 HH11 ARG 72 HH11 ARG 72 15.533 16.427 -5.744 439 HH12 ARG 72 HH12 ARG 72 15.622 18.139 -5.494 440 HH21 ARG 72 HH21 ARG 72 12.196 18.674 -5.952 441 HH22 ARG 72 HH22 ARG 72 13.723 19.416 -5.611 442 H CYS 73 H CYS 73 11.911 11.706 -3.046 443 HA CYS 73 HA CYS 73 9.064 11.414 -2.493 444 HB2 CYS 73 HB1 CYS 73 9.356 9.375 -1.198 445 HB3 CYS 73 HB2 CYS 73 9.861 9.115 -2.868 446 H GLN 74 H GLN 74 8.558 11.589 -0.203 447 HA GLN 74 HA GLN 74 10.639 13.063 1.273 448 HB2 GLN 74 HB1 GLN 74 7.736 13.568 0.862 449 HB3 GLN 74 HB2 GLN 74 8.408 13.952 2.456 450 HG2 GLN 74 HG1 GLN 74 9.844 15.578 1.614 451 HG3 GLN 74 HG2 GLN 74 9.716 14.958 -0.038 452 HE21 GLN 74 HE21 GLN 74 7.736 16.384 2.529 453 HE22 GLN 74 HE22 GLN 74 6.726 17.309 1.475 454 H ARG 75 H ARG 75 8.281 10.527 1.347 455 HA ARG 75 HA ARG 75 9.120 9.877 4.095 456 HB2 ARG 75 HB1 ARG 75 6.565 10.600 3.342 457 HB3 ARG 75 HB2 ARG 75 6.499 8.832 3.323 458 HG2 ARG 75 HG1 ARG 75 7.835 9.853 5.696 459 HG3 ARG 75 HG2 ARG 75 6.175 10.453 5.527 460 HD2 ARG 75 HD1 ARG 75 5.788 7.850 4.915 461 HD3 ARG 75 HD2 ARG 75 7.161 7.715 6.022 462 HE ARG 75 HE ARG 75 4.472 8.339 6.715 463 HH11 ARG 75 HH11 ARG 75 7.788 8.946 7.582 464 HH12 ARG 75 HH12 ARG 75 7.427 9.290 9.242 465 HH21 ARG 75 HH21 ARG 75 3.984 8.789 8.897 466 HH22 ARG 75 HH22 ARG 75 5.263 9.198 9.989 467 H ASP 76 H ASP 76 8.644 7.501 4.603 468 HA ASP 76 HA ASP 76 9.939 5.915 2.576 469 HB2 ASP 76 HB1 ASP 76 10.613 5.530 4.841 470 HB3 ASP 76 HB2 ASP 76 8.939 5.275 5.353 471 HD2 ASP 76 HD ASP 76 9.400 1.928 4.877 472 H ALA 77 H ALA 77 6.806 5.790 4.263 473 HA ALA 77 HA ALA 77 5.756 3.617 2.823 474 HB1 ALA 77 HB1 ALA 77 4.915 4.738 4.994 475 HB2 ALA 77 HB2 ALA 77 4.016 5.796 3.906 476 HB3 ALA 77 HB3 ALA 77 3.737 4.055 3.872 477 H MET 78 H MET 78 6.099 6.967 2.023 478 HA MET 78 HA MET 78 4.096 7.312 0.128 479 HB2 MET 78 HB1 MET 78 6.711 8.552 0.718 480 HB3 MET 78 HB2 MET 78 6.134 8.762 -0.943 481 HG2 MET 78 HG1 MET 78 3.895 9.457 0.252 482 HG3 MET 78 HG2 MET 78 4.986 9.780 1.603 483 HE1 MET 78 HE1 MET 78 5.040 10.034 -2.204 484 HE2 MET 78 HE2 MET 78 3.751 11.210 -1.947 485 HE3 MET 78 HE3 MET 78 5.325 11.742 -2.538 486 H CYS 79 H CYS 79 7.027 5.472 -0.034 487 HA CYS 79 HA CYS 79 6.669 5.057 -2.921 488 HB2 CYS 79 HB1 CYS 79 8.933 5.713 -1.711 489 HB3 CYS 79 HB2 CYS 79 9.018 3.974 -1.423 490 H CYS 80 H CYS 80 6.737 2.913 -3.779 491 HA CYS 80 HA CYS 80 5.057 1.091 -2.565 492 HB2 CYS 80 HB1 CYS 80 6.876 1.096 -4.866 493 HB3 CYS 80 HB2 CYS 80 6.638 -0.506 -4.164 494 HA PRO 81 HA PRO 81 7.341 -1.177 0.416 495 HB2 PRO 81 HB1 PRO 81 6.439 -3.735 0.035 496 HB3 PRO 81 HB2 PRO 81 5.459 -2.454 0.748 497 HG2 PRO 81 HG1 PRO 81 5.521 -3.449 -2.081 498 HG3 PRO 81 HG2 PRO 81 4.101 -3.076 -1.034 499 HD2 PRO 81 HD1 PRO 81 4.990 -1.378 -2.957 500 HD3 PRO 81 HD2 PRO 81 4.273 -0.814 -1.438 501 H GLY 82 H GLY 82 9.316 -2.087 0.623 502 HA2 GLY 82 HA2 GLY 82 10.885 -3.837 -0.037 503 HA3 GLY 82 HA3 GLY 82 10.400 -3.550 -1.701 504 HA1 GLY 82 HA1 GLY 82 10.828 -3.030 0.316 505 H THR 83 H THR 83 10.419 -0.566 -0.962 506 HA THR 83 HA THR 83 13.334 -0.217 -1.237 507 HB THR 83 HB THR 83 12.524 2.058 -2.303 508 HG1 THR 83 HG1 THR 83 10.360 0.311 -2.934 509 HG21 THR 83 HG21 THR 83 12.090 0.310 -4.442 510 HG22 THR 83 HG22 THR 83 13.176 -0.551 -3.352 511 HG23 THR 83 HG23 THR 83 13.618 1.044 -3.961 512 H LEU 84 H LEU 84 13.968 2.146 -0.669 513 HA LEU 84 HA LEU 84 12.489 3.078 1.688 514 HB2 LEU 84 HB1 LEU 84 15.450 2.514 1.522 515 HB3 LEU 84 HB2 LEU 84 14.702 3.481 2.805 516 HG LEU 84 HG LEU 84 13.981 0.606 2.263 517 HD11 LEU 84 HD11 LEU 84 15.959 1.742 4.233 518 HD12 LEU 84 HD12 LEU 84 16.319 0.694 2.862 519 HD13 LEU 84 HD13 LEU 84 15.379 0.077 4.220 520 HD21 LEU 84 HD21 LEU 84 13.092 2.685 4.133 521 HD22 LEU 84 HD22 LEU 84 13.459 1.128 4.876 522 HD23 LEU 84 HD23 LEU 84 12.270 1.227 3.577 523 H CYS 85 H CYS 85 12.472 5.266 1.994 524 HA CYS 85 HA CYS 85 13.169 6.896 -0.252 525 HB2 CYS 85 HB1 CYS 85 11.176 7.172 1.355 526 HB3 CYS 85 HB2 CYS 85 12.333 7.927 2.452 527 H VAL 86 H VAL 86 15.285 7.229 -0.608 528 HA VAL 86 HA VAL 86 16.844 8.430 1.581 529 HB VAL 86 HB VAL 86 17.896 6.428 -0.423 530 HG11 VAL 86 HG11 VAL 86 19.230 8.124 1.658 531 HG12 VAL 86 HG12 VAL 86 19.936 6.594 1.136 532 HG13 VAL 86 HG13 VAL 86 19.670 7.889 -0.033 533 HG21 VAL 86 HG21 VAL 86 17.014 4.973 1.046 534 HG22 VAL 86 HG22 VAL 86 18.413 5.395 2.033 535 HG23 VAL 86 HG23 VAL 86 16.863 6.188 2.316 536 H ASN 87 H ASN 87 18.207 10.093 1.022 537 HA ASN 87 HA ASN 87 18.950 11.886 -0.164 538 HB2 ASN 87 HB1 ASN 87 19.978 9.826 -1.423 539 HB3 ASN 87 HB2 ASN 87 18.832 10.275 -2.691 540 HD21 ASN 87 HD21 ASN 87 21.024 10.493 -3.763 541 HD22 ASN 87 HD22 ASN 87 21.744 12.062 -3.721 542 H ASP 88 H ASP 88 16.092 11.484 0.127 543 HA ASP 88 HA ASP 88 14.151 12.472 -0.531 544 HB2 ASP 88 HB1 ASP 88 16.176 14.268 -1.223 545 HB3 ASP 88 HB2 ASP 88 15.170 14.148 -2.672 546 HD2 ASP 88 HD ASP 88 12.358 15.322 -0.757 547 H VAL 89 H VAL 89 15.335 10.129 -1.967 548 HA VAL 89 HA VAL 89 13.442 10.129 -4.179 549 HB VAL 89 HB VAL 89 15.195 9.070 -5.682 550 HG11 VAL 89 HG11 VAL 89 16.119 11.281 -6.372 551 HG12 VAL 89 HG12 VAL 89 14.367 11.267 -6.156 552 HG13 VAL 89 HG13 VAL 89 15.404 11.978 -4.919 553 HG21 VAL 89 HG21 VAL 89 17.059 10.364 -3.694 554 HG22 VAL 89 HG22 VAL 89 16.872 8.631 -3.958 555 HG23 VAL 89 HG23 VAL 89 17.528 9.652 -5.238 556 H CYS 90 H CYS 90 12.938 8.006 -4.959 557 HA CYS 90 HA CYS 90 12.869 6.052 -2.897 558 HB2 CYS 90 HB1 CYS 90 12.043 6.085 -5.792 559 HB3 CYS 90 HB2 CYS 90 11.973 4.594 -4.851 560 H THR 91 H THR 91 14.686 5.058 -2.284 561 HA THR 91 HA THR 91 16.503 4.046 -4.369 562 HB THR 91 HB THR 91 17.079 4.592 -1.450 563 HG1 THR 91 HG1 THR 91 18.238 5.893 -3.685 564 HG21 THR 91 HG21 THR 91 19.421 4.126 -2.054 565 HG22 THR 91 HG22 THR 91 18.900 3.656 -3.672 566 HG23 THR 91 HG23 THR 91 18.391 2.711 -2.272 567 H THR 92 H THR 92 17.151 1.916 -4.363 568 HA THR 92 HA THR 92 15.336 0.039 -3.214 569 HB THR 92 HB THR 92 17.364 -1.538 -4.067 570 HG1 THR 92 HG1 THR 92 18.772 -0.309 -5.060 571 HG21 THR 92 HG21 THR 92 16.070 -1.947 -5.962 572 HG22 THR 92 HG22 THR 92 15.557 -0.265 -6.094 573 HG23 THR 92 HG23 THR 92 14.901 -1.288 -4.817 574 H MET 93 H MET 93 15.902 -1.731 -1.805 575 HA MET 93 HA MET 93 17.382 -0.871 0.473 576 HB2 MET 93 HB1 MET 93 15.326 -2.401 0.405 577 HB3 MET 93 HB2 MET 93 16.458 -3.692 -0.028 578 HG2 MET 93 HG1 MET 93 17.734 -3.197 2.060 579 HG3 MET 93 HG2 MET 93 16.453 -2.064 2.499 580 HE1 MET 93 HE1 MET 93 16.974 -3.490 4.519 581 HE2 MET 93 HE2 MET 93 15.639 -4.516 5.046 582 HE3 MET 93 HE3 MET 93 17.102 -5.243 4.379 583 H GLU 94 H GLU 94 18.101 -2.801 -2.318 584 HA GLU 94 HA GLU 94 20.356 -4.172 -1.280 585 HB2 GLU 94 HB1 GLU 94 19.188 -3.674 -3.967 586 HB3 GLU 94 HB2 GLU 94 20.899 -4.121 -3.907 587 HG2 GLU 94 HG1 GLU 94 20.293 -6.245 -3.802 588 HG3 GLU 94 HG2 GLU 94 19.617 -5.915 -2.200 589 HE2 GLU 94 HE GLU 94 17.149 -6.432 -5.232 590 H ASP 95 H ASP 95 19.930 -1.085 -2.922 591 HA ASP 95 HA ASP 95 22.755 -0.567 -3.104 592 HB2 ASP 95 HB1 ASP 95 20.579 0.392 -4.439 593 HB3 ASP 95 HB2 ASP 95 20.899 1.715 -3.310 594 HD2 ASP 95 HD ASP 95 23.984 2.419 -4.831 595 H ALA 96 H ALA 96 20.108 0.378 -0.981 596 HA ALA 96 HA ALA 96 21.606 2.283 0.514 597 HB1 ALA 96 HB1 ALA 96 19.158 0.809 1.457 598 HB2 ALA 96 HB2 ALA 96 19.740 2.392 1.973 599 HB3 ALA 96 HB3 ALA 96 19.097 2.177 0.344 600 H THR 97 H THR 97 23.551 1.085 0.946 601 HA THR 97 HA THR 97 23.454 -0.253 3.492 602 HB THR 97 HB THR 97 24.609 -1.815 1.180 603 HG1 THR 97 HG1 THR 97 22.644 -2.491 0.824 604 HG21 THR 97 HG21 THR 97 25.601 -2.926 2.848 605 HG22 THR 97 HG22 THR 97 23.996 -3.504 3.297 606 HG23 THR 97 HG23 THR 97 24.664 -2.067 4.070 607 H GLU 98 H GLU 98 24.940 1.009 4.440 608 HA GLU 98 HA GLU 98 27.178 2.130 3.129 609 HB2 GLU 98 HB1 GLU 98 25.909 2.528 5.535 610 HB3 GLU 98 HB2 GLU 98 27.445 1.799 6.030 611 HG2 GLU 98 HG1 GLU 98 28.482 3.733 5.772 612 HG3 GLU 98 HG2 GLU 98 28.002 3.771 4.069 613 HE2 GLU 98 HE GLU 98 25.208 5.808 4.836 614 H ASN 99 H ASN 99 29.373 1.617 3.258 615 HA ASN 99 HA ASN 99 29.923 -1.208 3.446 616 HB2 ASN 99 HB1 ASN 99 31.549 1.206 2.653 617 HB3 ASN 99 HB2 ASN 99 32.295 -0.384 2.848 618 HD21 ASN 99 HD21 ASN 99 32.045 1.218 0.451 619 HD22 ASN 99 HD22 ASN 99 31.179 0.255 -0.692 620 H LEU 100 H LEU 100 30.772 -2.251 5.128 621 HA LEU 100 HA LEU 100 32.092 -0.678 7.239 622 HB2 LEU 100 HB1 LEU 100 30.045 -2.874 7.506 623 HB3 LEU 100 HB2 LEU 100 31.120 -2.402 8.835 624 HG LEU 100 HG LEU 100 29.687 -0.141 7.678 625 HD11 LEU 100 HD11 LEU 100 27.499 -0.687 8.415 626 HD12 LEU 100 HD12 LEU 100 28.044 -2.208 9.121 627 HD13 LEU 100 HD13 LEU 100 28.032 -2.003 7.369 628 HD21 LEU 100 HD21 LEU 100 29.278 0.353 10.011 629 HD22 LEU 100 HD22 LEU 100 30.966 -0.105 9.783 630 HD23 LEU 100 HD23 LEU 100 29.825 -1.258 10.476 631 H TYR 101 H TYR 101 33.446 -2.069 8.698 632 HA TYR 101 HA TYR 101 34.497 -4.467 7.399 633 HB2 TYR 101 HB1 TYR 101 35.772 -1.988 7.172 634 HB3 TYR 101 HB2 TYR 101 36.666 -2.838 8.435 635 HD1 TYR 101 HD1 TYR 101 37.833 -4.946 7.957 636 HD2 TYR 101 HD2 TYR 101 35.860 -2.764 4.883 637 HE1 TYR 101 HE1 TYR 101 39.053 -6.244 6.260 638 HE2 TYR 101 HE2 TYR 101 37.073 -4.057 3.179 639 HH TYR 101 HH TYR 101 38.731 -6.890 3.853 640 H PHE 102 H PHE 102 35.371 -5.962 8.792 641 HA PHE 102 HA PHE 102 35.683 -5.263 11.605 642 HB2 PHE 102 HB1 PHE 102 33.681 -7.233 10.522 643 HB3 PHE 102 HB2 PHE 102 34.355 -7.430 12.142 644 HD1 PHE 102 HD1 PHE 102 33.584 -6.168 13.963 645 HD2 PHE 102 HD2 PHE 102 32.426 -5.109 10.007 646 HE1 PHE 102 HE1 PHE 102 31.932 -4.587 14.873 647 HE2 PHE 102 HE2 PHE 102 30.774 -3.526 10.910 648 HZ PHE 102 HZ PHE 102 30.526 -3.263 13.346 649 H GLN 103 H GLN 103 37.813 -5.693 10.151 650 HA GLN 103 HA GLN 103 38.674 -8.393 10.919 651 HB2 GLN 103 HB1 GLN 103 38.322 -7.512 8.270 652 HB3 GLN 103 HB2 GLN 103 40.070 -7.507 8.556 653 HG2 GLN 103 HG1 GLN 103 39.424 -9.903 9.621 654 HG3 GLN 103 HG2 GLN 103 38.194 -9.762 8.357 655 HE21 GLN 103 HE21 GLN 103 38.774 -9.908 6.238 656 HE22 GLN 103 HE22 GLN 103 40.368 -10.310 5.709 657 H SER 104 H SER 104 40.981 -8.607 11.234 658 HA SER 104 HA SER 104 42.545 -6.166 11.399 659 HB2 SER 104 HB1 SER 104 41.152 -6.632 13.598 660 HB3 SER 104 HB2 SER 104 42.445 -7.807 13.900 661 HG SER 104 HG SER 104 43.051 -5.148 13.183 662 H LEU 105 H LEU 105 42.552 -9.547 12.545 663 HA LEU 105 HA LEU 105 44.068 -11.225 12.322 664 HB2 LEU 105 HB1 LEU 105 44.242 -9.688 9.835 665 HB3 LEU 105 HB2 LEU 105 45.711 -10.605 10.216 666 HG LEU 105 HG LEU 105 44.125 -11.792 8.714 667 HD11 LEU 105 HD11 LEU 105 45.730 -12.814 10.562 668 HD12 LEU 105 HD12 LEU 105 44.682 -13.824 9.567 669 HD13 LEU 105 HD13 LEU 105 44.196 -13.397 11.207 670 HD21 LEU 105 HD21 LEU 105 42.365 -12.387 11.028 671 HD22 LEU 105 HD22 LEU 105 41.999 -12.354 9.302 672 HD23 LEU 105 HD23 LEU 105 42.144 -10.844 10.203 673 H GLU 106 H GLU 106 46.554 -11.635 12.086 674 HA GLU 106 HA GLU 106 48.330 -9.523 12.753 675 HB2 GLU 106 HB1 GLU 106 46.815 -10.529 14.908 676 HB3 GLU 106 HB2 GLU 106 48.439 -11.215 15.081 677 HG2 GLU 106 HG1 GLU 106 49.365 -8.902 14.857 678 HG3 GLU 106 HG2 GLU 106 47.700 -8.305 14.925 679 HE2 GLU 106 HE GLU 106 48.765 -8.173 18.309 680 H HIS 107 H HIS 107 50.484 -10.478 13.590 681 HA HIS 107 HA HIS 107 50.910 -13.199 12.587 682 HB2 HIS 107 HB1 HIS 107 51.716 -10.814 11.237 683 HB3 HIS 107 HB2 HIS 107 53.166 -11.631 11.828 684 HD1 HIS 107 HD1 HIS 107 52.481 -14.549 11.405 685 HD2 HIS 107 HD2 HIS 107 51.616 -11.583 8.627 686 HE1 HIS 107 HE1 HIS 107 52.277 -15.734 9.196 687 HE2 HIS 107 HE2 HIS 107 51.749 -13.924 7.498 688 H HIS 108 H HIS 108 52.769 -14.243 13.423 689 HA HIS 108 HA HIS 108 54.369 -12.886 15.420 690 HB2 HIS 108 HB1 HIS 108 52.144 -14.687 16.102 691 HB3 HIS 108 HB2 HIS 108 53.675 -15.103 16.878 692 HD1 HIS 108 HD1 HIS 108 54.874 -12.886 18.082 693 HD2 HIS 108 HD2 HIS 108 50.757 -12.846 17.531 694 HE1 HIS 108 HE1 HIS 108 53.998 -11.155 19.683 695 HE2 HIS 108 HE2 HIS 108 51.482 -11.130 19.345 696 H HIS 109 H HIS 109 56.375 -13.503 15.003 697 HA HIS 109 HA HIS 109 57.049 -16.297 14.764 698 HB2 HIS 109 HB1 HIS 109 56.367 -15.455 12.431 699 HB3 HIS 109 HB2 HIS 109 57.862 -14.515 12.474 700 HD1 HIS 109 HD1 HIS 109 56.593 -17.953 11.972 701 HD2 HIS 109 HD2 HIS 109 60.259 -16.053 12.431 702 HE1 HIS 109 HE1 HIS 109 58.317 -19.637 11.254 703 HE2 HIS 109 HE2 HIS 109 60.558 -18.476 11.533 704 H HIS 110 H HIS 110 58.220 -15.802 16.666 705 HA HIS 110 HA HIS 110 60.822 -14.587 16.115 706 HB2 HIS 110 HB1 HIS 110 58.936 -13.772 18.324 707 HB3 HIS 110 HB2 HIS 110 60.677 -13.495 18.434 708 HD1 HIS 110 HD1 HIS 110 61.484 -12.361 15.843 709 HD2 HIS 110 HD2 HIS 110 57.824 -11.423 17.570 710 HE1 HIS 110 HE1 HIS 110 60.792 -10.177 14.806 711 HE2 HIS 110 HE2 HIS 110 58.554 -9.603 15.859 712 H HIS 111 H HIS 111 62.434 -15.110 17.800 713 HA HIS 111 HA HIS 111 61.792 -17.616 19.207 714 HB2 HIS 111 HB1 HIS 111 63.361 -17.548 17.010 715 HB3 HIS 111 HB2 HIS 111 64.575 -17.240 18.257 716 HD1 HIS 111 HD1 HIS 111 62.985 -19.151 20.369 717 HD2 HIS 111 HD2 HIS 111 64.418 -20.136 16.594 718 HE1 HIS 111 HE1 HIS 111 63.285 -21.648 20.393 719 HE2 HIS 111 HE2 HIS 111 64.161 -22.251 18.087 720 H HIS 112 H HIS 112 62.018 -17.389 21.323 721 HA HIS 112 HA HIS 112 63.962 -15.419 22.332 722 HB2 HIS 112 HB1 HIS 112 61.195 -15.944 22.986 723 HB3 HIS 112 HB2 HIS 112 62.212 -16.128 24.418 724 HD1 HIS 112 HD1 HIS 112 60.153 -13.703 23.404 725 HD2 HIS 112 HD2 HIS 112 64.272 -13.638 23.950 726 HE1 HIS 112 HE1 HIS 112 60.747 -11.285 23.759 727 HE2 HIS 112 HE2 HIS 112 63.263 -11.244 24.092 Start of MODEL 62 1 H1 MET 18 H MET 18 -66.167 14.463 23.791 2 HA MET 18 HA MET 18 -63.566 13.081 23.686 3 HB2 MET 18 HB1 MET 18 -64.528 11.773 21.775 4 HB3 MET 18 HB2 MET 18 -65.279 11.446 23.343 5 HG2 MET 18 HG1 MET 18 -66.689 13.574 22.023 6 HG3 MET 18 HG2 MET 18 -66.538 12.180 20.949 7 HE1 MET 18 HE1 MET 18 -69.662 13.108 22.280 8 HE2 MET 18 HE2 MET 18 -68.973 12.318 20.862 9 HE3 MET 18 HE3 MET 18 -70.040 11.418 21.942 10 H LEU 19 H LEU 19 -63.759 15.838 23.343 11 HA LEU 19 HA LEU 19 -63.898 16.471 20.541 12 HB2 LEU 19 HB1 LEU 19 -62.821 18.116 22.836 13 HB3 LEU 19 HB2 LEU 19 -63.223 18.705 21.214 14 HG LEU 19 HG LEU 19 -65.379 17.433 22.828 15 HD11 LEU 19 HD11 LEU 19 -64.876 18.824 24.537 16 HD12 LEU 19 HD12 LEU 19 -65.730 19.991 23.528 17 HD13 LEU 19 HD13 LEU 19 -63.968 19.936 23.513 18 HD21 LEU 19 HD21 LEU 19 -65.251 19.713 20.859 19 HD22 LEU 19 HD22 LEU 19 -66.717 19.154 21.663 20 HD23 LEU 19 HD23 LEU 19 -65.856 18.086 20.554 21 H VAL 20 H VAL 20 -62.363 15.508 19.327 22 HA VAL 20 HA VAL 20 -59.670 15.135 20.200 23 HB VAL 20 HB VAL 20 -59.222 14.381 17.912 24 HG11 VAL 20 HG11 VAL 20 -60.596 12.442 17.940 25 HG12 VAL 20 HG12 VAL 20 -60.337 12.912 19.621 26 HG13 VAL 20 HG13 VAL 20 -61.870 13.278 18.828 27 HG21 VAL 20 HG21 VAL 20 -60.362 15.271 16.225 28 HG22 VAL 20 HG22 VAL 20 -61.767 14.338 16.738 29 HG23 VAL 20 HG23 VAL 20 -61.537 15.982 17.332 30 H LEU 21 H LEU 21 -57.830 16.247 19.659 31 HA LEU 21 HA LEU 21 -58.140 19.021 19.042 32 HB2 LEU 21 HB1 LEU 21 -56.050 17.251 20.012 33 HB3 LEU 21 HB2 LEU 21 -55.438 18.420 18.829 34 HG LEU 21 HG LEU 21 -56.681 20.160 20.337 35 HD11 LEU 21 HD11 LEU 21 -56.020 18.850 22.736 36 HD12 LEU 21 HD12 LEU 21 -57.031 17.738 21.814 37 HD13 LEU 21 HD13 LEU 21 -57.614 19.362 22.180 38 HD21 LEU 21 HD21 LEU 21 -54.088 19.408 20.011 39 HD22 LEU 21 HD22 LEU 21 -54.297 19.204 21.751 40 HD23 LEU 21 HD23 LEU 21 -54.625 20.766 21.000 41 H ASP 22 H ASP 22 -58.393 19.810 17.070 42 HA ASP 22 HA ASP 22 -57.405 18.294 14.771 43 HB2 ASP 22 HB1 ASP 22 -58.971 19.409 13.451 44 HB3 ASP 22 HB2 ASP 22 -59.811 19.239 14.999 45 HD2 ASP 22 HD ASP 22 -59.359 22.710 15.655 46 H PHE 23 H PHE 23 -55.999 19.136 13.260 47 HA PHE 23 HA PHE 23 -54.314 21.302 14.221 48 HB2 PHE 23 HB1 PHE 23 -54.061 19.231 12.050 49 HB3 PHE 23 HB2 PHE 23 -52.976 20.623 12.099 50 HD1 PHE 23 HD1 PHE 23 -54.077 17.653 13.995 51 HD2 PHE 23 HD2 PHE 23 -51.174 20.742 13.613 52 HE1 PHE 23 HE1 PHE 23 -52.641 16.501 15.626 53 HE2 PHE 23 HE2 PHE 23 -49.732 19.594 15.243 54 HZ PHE 23 HZ PHE 23 -50.464 17.470 16.252 55 H ASN 24 H ASN 24 -53.570 22.989 12.722 56 HA ASN 24 HA ASN 24 -55.079 23.591 10.375 57 HB2 ASN 24 HB1 ASN 24 -56.326 24.318 12.740 58 HB3 ASN 24 HB2 ASN 24 -55.514 25.804 12.234 59 HD21 ASN 24 HD21 ASN 24 -57.277 26.945 11.624 60 HD22 ASN 24 HD22 ASN 24 -58.296 26.511 10.299 61 H ASN 25 H ASN 25 -54.046 25.067 9.110 62 HA ASN 25 HA ASN 25 -52.483 26.575 8.410 63 HB2 ASN 25 HB1 ASN 25 -51.611 27.069 11.246 64 HB3 ASN 25 HB2 ASN 25 -51.636 28.188 9.879 65 HD21 ASN 25 HD21 ASN 25 -53.966 28.408 8.933 66 HD22 ASN 25 HD22 ASN 25 -55.184 28.748 10.110 67 H ILE 26 H ILE 26 -51.139 25.033 11.337 68 HA ILE 26 HA ILE 26 -49.217 23.869 11.696 69 HB ILE 26 HB ILE 26 -49.565 23.086 8.798 70 HG12 ILE 26 HG11 ILE 26 -50.339 21.503 11.249 71 HG13 ILE 26 HG12 ILE 26 -51.467 22.606 10.443 72 HG21 ILE 26 HG21 ILE 26 -47.575 22.117 9.028 73 HG22 ILE 26 HG22 ILE 26 -47.526 22.469 10.756 74 HG23 ILE 26 HG23 ILE 26 -48.337 21.015 10.175 75 HD11 ILE 26 HD11 ILE 26 -51.725 21.261 8.631 76 HD12 ILE 26 HD12 ILE 26 -50.110 20.567 8.774 77 HD13 ILE 26 HD13 ILE 26 -51.395 20.040 9.860 78 H ARG 27 H ARG 27 -48.029 25.840 11.972 79 HA ARG 27 HA ARG 27 -46.523 26.855 9.708 80 HB2 ARG 27 HB1 ARG 27 -46.466 27.659 12.627 81 HB3 ARG 27 HB2 ARG 27 -45.669 28.519 11.301 82 HG2 ARG 27 HG1 ARG 27 -47.499 29.772 11.164 83 HG3 ARG 27 HG2 ARG 27 -48.292 28.350 10.466 84 HD2 ARG 27 HD1 ARG 27 -49.744 28.599 12.174 85 HD3 ARG 27 HD2 ARG 27 -48.481 27.785 13.109 86 HE ARG 27 HE ARG 27 -47.935 30.523 13.136 87 HH11 ARG 27 HH11 ARG 27 -50.345 28.302 14.310 88 HH12 ARG 27 HH12 ARG 27 -50.760 29.274 15.684 89 HH21 ARG 27 HH21 ARG 27 -48.472 31.811 14.941 90 HH22 ARG 27 HH22 ARG 27 -49.693 31.269 16.041 91 H SER 28 H SER 28 -45.656 25.692 12.970 92 HA SER 28 HA SER 28 -43.826 24.594 13.757 93 HB2 SER 28 HB1 SER 28 -44.578 23.293 11.364 94 HB3 SER 28 HB2 SER 28 -42.812 23.436 11.319 95 HG SER 28 HG SER 28 -44.116 21.631 12.593 96 H SER 29 H SER 29 -41.344 24.086 12.942 97 HA SER 29 HA SER 29 -40.275 26.506 11.691 98 HB2 SER 29 HB1 SER 29 -38.465 26.199 13.698 99 HB3 SER 29 HB2 SER 29 -39.836 27.321 13.764 100 HG SER 29 HG SER 29 -40.193 24.661 14.589 101 H ALA 30 H ALA 30 -38.906 25.916 10.157 102 HA ALA 30 HA ALA 30 -37.500 23.343 10.429 103 HB1 ALA 30 HB1 ALA 30 -37.562 23.071 8.125 104 HB2 ALA 30 HB2 ALA 30 -39.132 23.794 8.483 105 HB3 ALA 30 HB3 ALA 30 -37.830 24.790 7.829 106 H ASP 31 H ASP 31 -35.349 23.329 10.578 107 HA ASP 31 HA ASP 31 -33.791 25.559 9.530 108 HB2 ASP 31 HB1 ASP 31 -32.480 25.628 11.716 109 HB3 ASP 31 HB2 ASP 31 -34.090 26.358 11.738 110 HD2 ASP 31 HD ASP 31 -33.369 23.444 14.199 111 H LEU 32 H LEU 32 -32.394 24.577 8.230 112 HA LEU 32 HA LEU 32 -31.163 22.058 9.135 113 HB2 LEU 32 HB1 LEU 32 -32.203 22.976 6.538 114 HB3 LEU 32 HB2 LEU 32 -30.626 22.169 6.469 115 HG LEU 32 HG LEU 32 -32.443 20.605 6.037 116 HD11 LEU 32 HD11 LEU 32 -31.734 18.872 7.481 117 HD12 LEU 32 HD12 LEU 32 -31.280 20.014 8.746 118 HD13 LEU 32 HD13 LEU 32 -30.342 19.932 7.256 119 HD21 LEU 32 HD21 LEU 32 -33.382 20.857 8.859 120 HD22 LEU 32 HD22 LEU 32 -34.222 20.216 7.445 121 HD23 LEU 32 HD23 LEU 32 -34.007 21.957 7.630 122 H HIS 33 H HIS 33 -28.965 21.840 9.106 123 HA HIS 33 HA HIS 33 -27.424 24.259 9.122 124 HB2 HIS 33 HB1 HIS 33 -27.079 21.485 9.954 125 HB3 HIS 33 HB2 HIS 33 -25.621 22.146 9.207 126 HD1 HIS 33 HD1 HIS 33 -27.861 22.627 12.178 127 HD2 HIS 33 HD2 HIS 33 -24.266 24.073 10.681 128 HE1 HIS 33 HE1 HIS 33 -26.835 23.948 14.054 129 HE2 HIS 33 HE2 HIS 33 -24.637 24.832 13.142 130 H GLY 34 H GLY 34 -27.573 21.377 7.055 131 HA2 GLY 34 HA2 GLY 34 -27.227 21.359 4.731 132 HA3 GLY 34 HA3 GLY 34 -26.500 22.956 4.850 133 HA1 GLY 34 HA1 GLY 34 -26.894 20.951 5.438 134 H ALA 35 H ALA 35 -25.874 19.645 6.025 135 HA ALA 35 HA ALA 35 -23.014 20.113 5.897 136 HB1 ALA 35 HB1 ALA 35 -23.017 17.625 6.631 137 HB2 ALA 35 HB2 ALA 35 -23.547 18.864 7.770 138 HB3 ALA 35 HB3 ALA 35 -24.738 17.890 6.909 139 H ARG 36 H ARG 36 -22.397 20.247 3.781 140 HA ARG 36 HA ARG 36 -22.708 17.792 2.197 141 HB2 ARG 36 HB1 ARG 36 -22.817 19.293 0.149 142 HB3 ARG 36 HB2 ARG 36 -24.261 19.249 1.171 143 HG2 ARG 36 HG1 ARG 36 -24.172 21.433 1.565 144 HG3 ARG 36 HG2 ARG 36 -22.455 21.349 1.994 145 HD2 ARG 36 HD1 ARG 36 -21.852 21.375 -0.393 146 HD3 ARG 36 HD2 ARG 36 -23.568 21.479 -0.806 147 HE ARG 36 HE ARG 36 -23.481 23.716 -0.379 148 HH11 ARG 36 HH11 ARG 36 -20.813 22.172 1.240 149 HH12 ARG 36 HH12 ARG 36 -20.105 23.661 1.773 150 HH21 ARG 36 HH21 ARG 36 -22.560 25.683 0.317 151 HH22 ARG 36 HH22 ARG 36 -21.101 25.658 1.248 152 H LYS 37 H LYS 37 -20.579 17.297 2.977 153 HA LYS 37 HA LYS 37 -18.531 17.954 1.189 154 HB2 LYS 37 HB1 LYS 37 -18.897 20.048 2.876 155 HB3 LYS 37 HB2 LYS 37 -17.710 19.101 3.786 156 HG2 LYS 37 HG1 LYS 37 -16.306 19.054 1.679 157 HG3 LYS 37 HG2 LYS 37 -17.423 20.270 1.034 158 HD2 LYS 37 HD1 LYS 37 -16.787 21.256 3.543 159 HD3 LYS 37 HD2 LYS 37 -15.262 20.567 2.958 160 HE2 LYS 37 HE1 LYS 37 -15.167 22.741 2.143 161 HE3 LYS 37 HE2 LYS 37 -15.805 21.831 0.766 162 HZ1 LYS 37 HZ1 LYS 37 -17.714 23.006 2.654 163 HZ2 LYS 37 HZ2 LYS 37 -17.869 22.742 0.991 164 HZ3 LYS 37 HZ3 LYS 37 -16.935 24.034 1.558 165 H GLY 38 H GLY 38 -17.732 15.947 1.152 166 HA2 GLY 38 HA2 GLY 38 -16.718 14.841 3.683 167 HA3 GLY 38 HA3 GLY 38 -17.727 13.843 2.647 168 HA1 GLY 38 HA1 GLY 38 -16.344 15.392 3.103 169 H SER 39 H SER 39 -14.726 14.027 3.555 170 HA SER 39 HA SER 39 -13.267 14.214 1.111 171 HB2 SER 39 HB1 SER 39 -12.200 14.661 3.277 172 HB3 SER 39 HB2 SER 39 -12.477 12.979 3.761 173 HG SER 39 HG SER 39 -10.392 13.903 2.507 174 H GLN 40 H GLN 40 -12.344 12.570 -0.124 175 HA GLN 40 HA GLN 40 -13.931 10.228 -0.414 176 HB2 GLN 40 HB1 GLN 40 -11.915 11.608 -1.902 177 HB3 GLN 40 HB2 GLN 40 -11.466 9.900 -1.784 178 HG2 GLN 40 HG1 GLN 40 -14.270 10.186 -2.414 179 HG3 GLN 40 HG2 GLN 40 -13.255 11.050 -3.575 180 HE21 GLN 40 HE21 GLN 40 -12.014 9.928 -4.995 181 HE22 GLN 40 HE22 GLN 40 -12.035 8.205 -5.138 182 H CYS 41 H CYS 41 -10.564 10.742 0.627 183 HA CYS 41 HA CYS 41 -10.708 8.158 2.031 184 HB2 CYS 41 HB1 CYS 41 -8.392 7.715 1.500 185 HB3 CYS 41 HB2 CYS 41 -9.286 7.997 0.006 186 H LEU 42 H LEU 42 -9.863 8.080 4.072 187 HA LEU 42 HA LEU 42 -9.270 10.656 5.300 188 HB2 LEU 42 HB1 LEU 42 -10.589 8.275 6.115 189 HB3 LEU 42 HB2 LEU 42 -9.182 8.508 7.169 190 HG LEU 42 HG LEU 42 -10.007 10.768 7.728 191 HD11 LEU 42 HD11 LEU 42 -11.268 11.351 5.805 192 HD12 LEU 42 HD12 LEU 42 -12.401 11.258 7.152 193 HD13 LEU 42 HD13 LEU 42 -12.314 9.943 5.981 194 HD21 LEU 42 HD21 LEU 42 -10.589 8.652 9.012 195 HD22 LEU 42 HD22 LEU 42 -12.167 8.737 8.227 196 HD23 LEU 42 HD23 LEU 42 -11.630 10.052 9.274 197 H SER 43 H SER 43 -7.699 7.710 4.386 198 HA SER 43 HA SER 43 -5.123 8.840 5.027 199 HB2 SER 43 HB1 SER 43 -6.199 6.420 6.483 200 HB3 SER 43 HB2 SER 43 -4.461 6.709 6.297 201 HG SER 43 HG SER 43 -6.339 8.090 7.822 202 H ASP 44 H ASP 44 -3.346 7.569 4.156 203 HA ASP 44 HA ASP 44 -3.803 6.658 1.570 204 HB2 ASP 44 HB1 ASP 44 -1.464 5.771 3.264 205 HB3 ASP 44 HB2 ASP 44 -1.513 6.019 1.514 206 HD2 ASP 44 HD ASP 44 -1.025 9.434 1.823 207 H THR 45 H THR 45 -4.005 4.982 4.592 208 HA THR 45 HA THR 45 -3.774 2.334 3.577 209 HB THR 45 HB THR 45 -5.102 1.827 5.786 210 HG1 THR 45 HG1 THR 45 -5.596 3.548 6.897 211 HG21 THR 45 HG21 THR 45 -2.881 2.438 7.060 212 HG22 THR 45 HG22 THR 45 -2.295 2.777 5.431 213 HG23 THR 45 HG23 THR 45 -2.896 1.169 5.835 214 H ASP 46 H ASP 46 -6.339 4.645 3.705 215 HA ASP 46 HA ASP 46 -8.527 2.850 3.524 216 HB2 ASP 46 HB1 ASP 46 -8.646 5.282 4.195 217 HB3 ASP 46 HB2 ASP 46 -8.429 5.687 2.488 218 HD2 ASP 46 HD ASP 46 -11.659 4.612 1.685 219 H CYS 47 H CYS 47 -6.284 4.141 1.210 220 HA CYS 47 HA CYS 47 -7.705 3.849 -1.162 221 HB2 CYS 47 HB1 CYS 47 -4.793 3.697 -0.454 222 HB3 CYS 47 HB2 CYS 47 -5.312 3.312 -2.095 223 H ASN 48 H ASN 48 -5.174 1.550 -0.179 224 HA ASN 48 HA ASN 48 -6.921 -0.714 -0.504 225 HB2 ASN 48 HB1 ASN 48 -6.414 -0.228 -2.848 226 HB3 ASN 48 HB2 ASN 48 -4.683 -0.261 -2.490 227 HD21 ASN 48 HD21 ASN 48 -4.342 -1.912 -3.983 228 HD22 ASN 48 HD22 ASN 48 -4.799 -3.546 -3.656 229 H THR 49 H THR 49 -3.422 -0.308 -0.999 230 HA THR 49 HA THR 49 -2.619 -1.014 1.591 231 HB THR 49 HB THR 49 -3.546 -3.195 1.231 232 HG1 THR 49 HG1 THR 49 -1.709 -3.639 2.238 233 HG21 THR 49 HG21 THR 49 -1.868 -3.423 -1.267 234 HG22 THR 49 HG22 THR 49 -3.588 -3.033 -1.268 235 HG23 THR 49 HG23 THR 49 -3.037 -4.590 -0.651 236 H ARG 50 H ARG 50 -1.875 -1.339 -1.854 237 HA ARG 50 HA ARG 50 0.921 -0.633 -1.258 238 HB2 ARG 50 HB1 ARG 50 1.388 -1.531 -3.568 239 HB3 ARG 50 HB2 ARG 50 0.857 -2.731 -2.379 240 HG2 ARG 50 HG1 ARG 50 -1.337 -2.821 -3.308 241 HG3 ARG 50 HG2 ARG 50 -0.998 -1.434 -4.358 242 HD2 ARG 50 HD1 ARG 50 -0.845 -3.382 -5.722 243 HD3 ARG 50 HD2 ARG 50 0.804 -2.804 -5.440 244 HE ARG 50 HE ARG 50 1.257 -4.733 -4.284 245 HH11 ARG 50 HH11 ARG 50 -2.185 -4.419 -4.709 246 HH12 ARG 50 HH12 ARG 50 -2.534 -6.013 -4.124 247 HH21 ARG 50 HH21 ARG 50 0.810 -6.832 -3.511 248 HH22 ARG 50 HH22 ARG 50 -0.829 -7.384 -3.442 249 H LYS 51 H LYS 51 -1.414 1.185 -1.528 250 HA LYS 51 HA LYS 51 -0.214 2.980 -3.494 251 HB2 LYS 51 HB1 LYS 51 -3.107 2.111 -3.475 252 HB3 LYS 51 HB2 LYS 51 -2.561 3.601 -4.264 253 HG2 LYS 51 HG1 LYS 51 -1.311 2.445 -5.872 254 HG3 LYS 51 HG2 LYS 51 -1.351 0.942 -4.934 255 HD2 LYS 51 HD1 LYS 51 -3.021 0.361 -6.328 256 HD3 LYS 51 HD2 LYS 51 -4.007 1.409 -5.296 257 HE2 LYS 51 HE1 LYS 51 -3.676 3.287 -6.792 258 HE3 LYS 51 HE2 LYS 51 -2.564 2.328 -7.779 259 HZ1 LYS 51 HZ1 LYS 51 -4.242 1.304 -8.819 260 HZ2 LYS 51 HZ2 LYS 51 -5.189 2.592 -8.267 261 HZ3 LYS 51 HZ3 LYS 51 -5.167 1.131 -7.413 262 H PHE 52 H PHE 52 -0.763 5.209 -3.177 263 HA PHE 52 HA PHE 52 -1.785 5.768 -0.470 264 HB2 PHE 52 HB1 PHE 52 -0.258 7.604 -0.282 265 HB3 PHE 52 HB2 PHE 52 0.666 6.191 -0.799 266 HD1 PHE 52 HD1 PHE 52 1.255 5.943 -3.243 267 HD2 PHE 52 HD2 PHE 52 -0.243 9.562 -1.577 268 HE1 PHE 52 HE1 PHE 52 2.129 7.190 -5.175 269 HE2 PHE 52 HE2 PHE 52 0.628 10.815 -3.508 270 HZ PHE 52 HZ PHE 52 1.816 9.629 -5.310 271 H CYS 53 H CYS 53 -2.555 8.104 -0.257 272 HA CYS 53 HA CYS 53 -4.345 8.652 -2.511 273 HB2 CYS 53 HB1 CYS 53 -4.716 8.595 0.279 274 HB3 CYS 53 HB2 CYS 53 -4.822 10.295 -0.183 275 H LEU 54 H LEU 54 -3.189 9.872 -3.931 276 HA LEU 54 HA LEU 54 -1.496 12.027 -3.078 277 HB2 LEU 54 HB1 LEU 54 -1.100 10.648 -5.122 278 HB3 LEU 54 HB2 LEU 54 -2.524 11.417 -5.844 279 HG LEU 54 HG LEU 54 -0.617 13.387 -4.907 280 HD11 LEU 54 HD11 LEU 54 0.333 11.308 -6.867 281 HD12 LEU 54 HD12 LEU 54 1.084 11.776 -5.342 282 HD13 LEU 54 HD13 LEU 54 1.060 12.906 -6.695 283 HD21 LEU 54 HD21 LEU 54 -1.101 13.140 -7.771 284 HD22 LEU 54 HD22 LEU 54 -1.419 14.487 -6.678 285 HD23 LEU 54 HD23 LEU 54 -2.581 13.166 -6.813 286 H GLN 55 H GLN 55 -2.093 14.036 -2.627 287 HA GLN 55 HA GLN 55 -4.751 14.937 -3.510 288 HB2 GLN 55 HB1 GLN 55 -4.688 14.915 -1.144 289 HB3 GLN 55 HB2 GLN 55 -3.080 15.654 -1.109 290 HG2 GLN 55 HG1 GLN 55 -3.901 17.721 -1.150 291 HG3 GLN 55 HG2 GLN 55 -5.018 17.327 -2.466 292 HE21 GLN 55 HE21 GLN 55 -6.857 18.217 -1.744 293 HE22 GLN 55 HE22 GLN 55 -7.646 17.785 -0.270 294 HA PRO 56 HA PRO 56 -1.924 17.507 -6.033 295 HB2 PRO 56 HB1 PRO 56 -3.680 17.768 -8.119 296 HB3 PRO 56 HB2 PRO 56 -2.615 16.378 -7.911 297 HG2 PRO 56 HG1 PRO 56 -5.499 16.694 -7.151 298 HG3 PRO 56 HG2 PRO 56 -4.683 15.315 -7.979 299 HD2 PRO 56 HD1 PRO 56 -5.310 15.272 -5.340 300 HD3 PRO 56 HD2 PRO 56 -3.869 14.476 -5.993 301 H ARG 57 H ARG 57 -1.972 19.714 -6.460 302 HA ARG 57 HA ARG 57 -3.931 21.210 -4.951 303 HB2 ARG 57 HB1 ARG 57 -1.244 21.640 -5.966 304 HB3 ARG 57 HB2 ARG 57 -2.295 23.025 -6.298 305 HG2 ARG 57 HG1 ARG 57 -2.957 22.889 -3.821 306 HG3 ARG 57 HG2 ARG 57 -1.529 21.854 -3.651 307 HD2 ARG 57 HD1 ARG 57 -0.068 23.566 -3.958 308 HD3 ARG 57 HD2 ARG 57 -1.123 24.380 -5.121 309 HE ARG 57 HE ARG 57 -2.215 24.499 -2.502 310 HH11 ARG 57 HH11 ARG 57 0.235 25.887 -4.550 311 HH12 ARG 57 HH12 ARG 57 0.265 27.402 -3.709 312 HH21 ARG 57 HH21 ARG 57 -2.185 26.489 -1.387 313 HH22 ARG 57 HH22 ARG 57 -1.112 27.742 -1.910 314 H ASP 58 H ASP 58 -3.062 20.694 -8.317 315 HA ASP 58 HA ASP 58 -4.930 22.675 -9.283 316 HB2 ASP 58 HB1 ASP 58 -2.860 22.273 -10.517 317 HB3 ASP 58 HB2 ASP 58 -3.315 20.581 -10.754 318 HD2 ASP 58 HD ASP 58 -5.474 21.356 -13.340 319 H GLU 59 H GLU 59 -4.954 19.313 -8.524 320 HA GLU 59 HA GLU 59 -7.647 19.081 -9.700 321 HB2 GLU 59 HB1 GLU 59 -5.327 17.435 -10.073 322 HB3 GLU 59 HB2 GLU 59 -6.589 16.491 -9.267 323 HG2 GLU 59 HG1 GLU 59 -8.154 16.940 -11.031 324 HG3 GLU 59 HG2 GLU 59 -7.016 18.055 -11.800 325 HE2 GLU 59 HE GLU 59 -5.552 15.499 -13.529 326 H LYS 60 H LYS 60 -8.695 16.964 -8.582 327 HA LYS 60 HA LYS 60 -8.911 17.701 -5.781 328 HB2 LYS 60 HB1 LYS 60 -10.554 16.226 -7.747 329 HB3 LYS 60 HB2 LYS 60 -10.651 15.639 -6.078 330 HG2 LYS 60 HG1 LYS 60 -12.141 17.223 -5.659 331 HG3 LYS 60 HG2 LYS 60 -10.861 18.423 -5.908 332 HD2 LYS 60 HD1 LYS 60 -12.195 19.200 -7.545 333 HD3 LYS 60 HD2 LYS 60 -11.542 17.840 -8.477 334 HE2 LYS 60 HE1 LYS 60 -13.578 16.949 -8.647 335 HE3 LYS 60 HE2 LYS 60 -13.685 16.866 -6.882 336 HZ1 LYS 60 HZ1 LYS 60 -14.191 19.457 -7.316 337 HZ2 LYS 60 HZ2 LYS 60 -15.389 18.269 -7.184 338 HZ3 LYS 60 HZ3 LYS 60 -14.862 18.774 -8.711 339 HA PRO 61 HA PRO 61 -6.626 14.377 -4.053 340 HB2 PRO 61 HB1 PRO 61 -8.151 13.669 -1.890 341 HB3 PRO 61 HB2 PRO 61 -7.224 15.166 -1.979 342 HG2 PRO 61 HG1 PRO 61 -10.132 14.694 -2.535 343 HG3 PRO 61 HG2 PRO 61 -9.354 16.014 -1.586 344 HD2 PRO 61 HD1 PRO 61 -10.231 16.361 -4.131 345 HD3 PRO 61 HD2 PRO 61 -8.802 17.191 -3.489 346 H PHE 62 H PHE 62 -6.371 12.235 -4.360 347 HA PHE 62 HA PHE 62 -8.503 10.355 -4.293 348 HB2 PHE 62 HB1 PHE 62 -8.665 9.738 -6.588 349 HB3 PHE 62 HB2 PHE 62 -8.871 11.489 -6.521 350 HD1 PHE 62 HD1 PHE 62 -7.313 8.944 -8.268 351 HD2 PHE 62 HD2 PHE 62 -6.547 12.826 -6.698 352 HE1 PHE 62 HE1 PHE 62 -5.491 9.239 -9.895 353 HE2 PHE 62 HE2 PHE 62 -4.723 13.127 -8.323 354 HZ PHE 62 HZ PHE 62 -4.194 11.332 -9.924 355 H CYS 63 H CYS 63 -7.676 8.178 -5.314 356 HA CYS 63 HA CYS 63 -5.089 7.693 -4.100 357 HB2 CYS 63 HB1 CYS 63 -7.169 5.871 -5.325 358 HB3 CYS 63 HB2 CYS 63 -5.626 5.287 -4.700 359 H ALA 64 H ALA 64 -3.221 7.352 -5.142 360 HA ALA 64 HA ALA 64 -3.290 6.952 -8.056 361 HB1 ALA 64 HB1 ALA 64 -1.634 8.572 -8.451 362 HB2 ALA 64 HB2 ALA 64 -2.786 9.345 -7.360 363 HB3 ALA 64 HB3 ALA 64 -1.258 8.726 -6.734 364 H THR 65 H THR 65 -1.349 5.986 -8.941 365 HA THR 65 HA THR 65 -0.387 3.848 -7.319 366 HB THR 65 HB THR 65 1.188 4.281 -9.718 367 HG1 THR 65 HG1 THR 65 -1.625 4.031 -10.090 368 HG21 THR 65 HG21 THR 65 0.324 2.160 -8.250 369 HG22 THR 65 HG22 THR 65 0.962 2.044 -9.890 370 HG23 THR 65 HG23 THR 65 -0.780 2.100 -9.623 371 H CYS 66 H CYS 66 1.847 3.370 -6.855 372 HA CYS 66 HA CYS 66 3.208 5.503 -5.627 373 HB2 CYS 66 HB1 CYS 66 4.912 3.933 -5.077 374 HB3 CYS 66 HB2 CYS 66 3.375 3.069 -5.004 375 H ARG 67 H ARG 67 5.672 5.799 -6.098 376 HA ARG 67 HA ARG 67 5.889 6.517 -8.939 377 HB2 ARG 67 HB1 ARG 67 7.260 7.595 -6.471 378 HB3 ARG 67 HB2 ARG 67 7.739 8.035 -8.117 379 HG2 ARG 67 HG1 ARG 67 5.095 8.560 -8.249 380 HG3 ARG 67 HG2 ARG 67 5.409 8.886 -6.536 381 HD2 ARG 67 HD1 ARG 67 7.533 10.138 -7.678 382 HD3 ARG 67 HD2 ARG 67 6.303 10.340 -8.934 383 HE ARG 67 HE ARG 67 5.248 11.019 -6.394 384 HH11 ARG 67 HH11 ARG 67 7.377 12.185 -8.891 385 HH12 ARG 67 HH12 ARG 67 7.117 13.856 -8.512 386 HH21 ARG 67 HH21 ARG 67 4.899 13.216 -5.887 387 HH22 ARG 67 HH22 ARG 67 5.708 14.441 -6.803 388 H GLY 68 H GLY 68 8.297 6.605 -9.672 389 HA2 GLY 68 HA2 GLY 68 9.288 3.910 -9.480 390 HA3 GLY 68 HA3 GLY 68 9.972 5.209 -10.447 391 HA1 GLY 68 HA1 GLY 68 9.138 4.312 -8.709 392 H LEU 69 H LEU 69 12.052 4.408 -9.756 393 HA LEU 69 HA LEU 69 12.745 4.685 -6.956 394 HB2 LEU 69 HB1 LEU 69 14.140 3.731 -9.423 395 HB3 LEU 69 HB2 LEU 69 15.097 4.201 -8.009 396 HG LEU 69 HG LEU 69 12.985 2.046 -8.052 397 HD11 LEU 69 HD11 LEU 69 15.225 1.693 -9.285 398 HD12 LEU 69 HD12 LEU 69 14.675 0.465 -8.146 399 HD13 LEU 69 HD13 LEU 69 15.920 1.619 -7.665 400 HD21 LEU 69 HD21 LEU 69 13.961 1.496 -5.819 401 HD22 LEU 69 HD22 LEU 69 13.079 3.021 -5.874 402 HD23 LEU 69 HD23 LEU 69 14.843 3.021 -5.891 403 H ARG 70 H ARG 70 14.012 6.065 -9.996 404 HA ARG 70 HA ARG 70 15.602 8.034 -8.844 405 HB2 ARG 70 HB1 ARG 70 14.123 8.182 -11.482 406 HB3 ARG 70 HB2 ARG 70 15.529 9.151 -11.018 407 HG2 ARG 70 HG1 ARG 70 16.100 6.340 -10.720 408 HG3 ARG 70 HG2 ARG 70 15.535 6.710 -12.358 409 HD2 ARG 70 HD1 ARG 70 17.682 8.323 -10.982 410 HD3 ARG 70 HD2 ARG 70 18.035 6.886 -11.952 411 HE ARG 70 HE ARG 70 16.476 8.504 -13.548 412 HH11 ARG 70 HH11 ARG 70 19.545 8.737 -11.923 413 HH12 ARG 70 HH12 ARG 70 20.227 9.824 -13.087 414 HH21 ARG 70 HH21 ARG 70 17.361 9.935 -15.087 415 HH22 ARG 70 HH22 ARG 70 18.983 10.506 -14.886 416 H ARG 71 H ARG 71 12.172 7.893 -9.251 417 HA ARG 71 HA ARG 71 11.476 10.583 -9.225 418 HB2 ARG 71 HB1 ARG 71 10.172 8.036 -8.659 419 HB3 ARG 71 HB2 ARG 71 9.533 9.358 -7.672 420 HG2 ARG 71 HG1 ARG 71 8.264 9.049 -9.752 421 HG3 ARG 71 HG2 ARG 71 9.020 10.648 -9.648 422 HD2 ARG 71 HD1 ARG 71 10.749 10.036 -11.173 423 HD3 ARG 71 HD2 ARG 71 10.280 8.332 -11.100 424 HE ARG 71 HE ARG 71 8.050 9.509 -12.049 425 HH11 ARG 71 HH11 ARG 71 11.398 9.682 -12.986 426 HH12 ARG 71 HH12 ARG 71 11.051 9.973 -14.658 427 HH21 ARG 71 HH21 ARG 71 7.580 9.892 -14.248 428 HH22 ARG 71 HH22 ARG 71 8.878 10.093 -15.375 429 H ARG 72 H ARG 72 11.007 12.062 -7.601 430 HA ARG 72 HA ARG 72 12.593 11.787 -5.216 431 HB2 ARG 72 HB1 ARG 72 10.749 13.992 -6.163 432 HB3 ARG 72 HB2 ARG 72 11.774 14.088 -4.723 433 HG2 ARG 72 HG1 ARG 72 13.400 13.316 -6.938 434 HG3 ARG 72 HG2 ARG 72 12.438 14.733 -7.389 435 HD2 ARG 72 HD1 ARG 72 14.104 14.517 -4.870 436 HD3 ARG 72 HD2 ARG 72 14.625 15.306 -6.366 437 HE ARG 72 HE ARG 72 12.303 16.565 -5.808 438 HH11 ARG 72 HH11 ARG 72 15.153 15.888 -3.926 439 HH12 ARG 72 HH12 ARG 72 14.996 17.304 -2.939 440 HH21 ARG 72 HH21 ARG 72 12.087 18.432 -4.516 441 HH22 ARG 72 HH22 ARG 72 13.251 18.750 -3.275 442 H CYS 73 H CYS 73 11.831 11.906 -3.068 443 HA CYS 73 HA CYS 73 8.975 11.583 -2.600 444 HB2 CYS 73 HB1 CYS 73 9.235 9.534 -1.311 445 HB3 CYS 73 HB2 CYS 73 9.794 9.288 -2.966 446 H GLN 74 H GLN 74 8.456 11.605 -0.258 447 HA GLN 74 HA GLN 74 10.463 13.146 1.252 448 HB2 GLN 74 HB1 GLN 74 8.695 14.425 2.268 449 HB3 GLN 74 HB2 GLN 74 8.507 14.492 0.508 450 HG2 GLN 74 HG1 GLN 74 6.725 12.875 0.570 451 HG3 GLN 74 HG2 GLN 74 6.966 12.638 2.307 452 HE21 GLN 74 HE21 GLN 74 4.540 13.398 1.054 453 HE22 GLN 74 HE22 GLN 74 4.115 14.966 1.640 454 H ARG 75 H ARG 75 8.012 10.654 1.326 455 HA ARG 75 HA ARG 75 8.902 9.933 4.042 456 HB2 ARG 75 HB1 ARG 75 6.391 10.720 3.432 457 HB3 ARG 75 HB2 ARG 75 6.252 8.983 3.131 458 HG2 ARG 75 HG1 ARG 75 7.579 9.136 5.566 459 HG3 ARG 75 HG2 ARG 75 6.356 10.414 5.638 460 HD2 ARG 75 HD1 ARG 75 4.735 8.599 4.727 461 HD3 ARG 75 HD2 ARG 75 5.980 7.466 5.272 462 HE ARG 75 HE ARG 75 4.130 8.870 6.909 463 HH11 ARG 75 HH11 ARG 75 7.388 7.645 6.824 464 HH12 ARG 75 HH12 ARG 75 7.503 7.465 8.543 465 HH21 ARG 75 HH21 ARG 75 4.270 8.637 9.173 466 HH22 ARG 75 HH22 ARG 75 5.730 8.028 9.878 467 H ASP 76 H ASP 76 8.388 7.540 4.506 468 HA ASP 76 HA ASP 76 9.726 5.988 2.481 469 HB2 ASP 76 HB1 ASP 76 10.360 5.531 4.731 470 HB3 ASP 76 HB2 ASP 76 8.676 5.330 5.232 471 HD2 ASP 76 HD ASP 76 10.179 2.341 3.084 472 H ALA 77 H ALA 77 6.601 5.673 4.175 473 HA ALA 77 HA ALA 77 5.573 3.591 2.638 474 HB1 ALA 77 HB1 ALA 77 3.898 5.789 3.825 475 HB2 ALA 77 HB2 ALA 77 3.460 4.100 3.567 476 HB3 ALA 77 HB3 ALA 77 4.649 4.524 4.797 477 H MET 78 H MET 78 5.911 6.959 1.908 478 HA MET 78 HA MET 78 3.947 7.318 -0.027 479 HB2 MET 78 HB1 MET 78 6.592 8.551 0.559 480 HB3 MET 78 HB2 MET 78 5.882 8.870 -1.031 481 HG2 MET 78 HG1 MET 78 4.329 9.297 1.509 482 HG3 MET 78 HG2 MET 78 5.401 10.531 0.840 483 HE1 MET 78 HE1 MET 78 4.304 10.392 -2.749 484 HE2 MET 78 HE2 MET 78 4.110 11.975 -1.996 485 HE3 MET 78 HE3 MET 78 5.483 10.956 -1.565 486 H CYS 79 H CYS 79 6.902 5.518 -0.148 487 HA CYS 79 HA CYS 79 6.698 5.213 -3.056 488 HB2 CYS 79 HB1 CYS 79 8.892 5.709 -1.691 489 HB3 CYS 79 HB2 CYS 79 8.872 3.965 -1.418 490 H CYS 80 H CYS 80 6.810 3.082 -4.002 491 HA CYS 80 HA CYS 80 4.924 1.302 -3.060 492 HB2 CYS 80 HB1 CYS 80 6.997 1.298 -5.134 493 HB3 CYS 80 HB2 CYS 80 6.612 -0.314 -4.527 494 HA PRO 81 HA PRO 81 6.745 -1.171 0.072 495 HB2 PRO 81 HB1 PRO 81 5.786 -3.669 -0.510 496 HB3 PRO 81 HB2 PRO 81 4.786 -2.369 0.135 497 HG2 PRO 81 HG1 PRO 81 5.137 -3.268 -2.704 498 HG3 PRO 81 HG2 PRO 81 3.620 -2.867 -1.814 499 HD2 PRO 81 HD1 PRO 81 4.798 -1.148 -3.553 500 HD3 PRO 81 HD2 PRO 81 3.934 -0.602 -2.107 501 H GLY 82 H GLY 82 8.860 -1.590 0.176 502 HA2 GLY 82 HA2 GLY 82 10.494 -3.419 -0.152 503 HA3 GLY 82 HA3 GLY 82 10.007 -3.421 -1.841 504 HA1 GLY 82 HA1 GLY 82 10.396 -2.571 0.068 505 H THR 83 H THR 83 10.230 -0.348 -0.346 506 HA THR 83 HA THR 83 12.971 0.055 -1.294 507 HB THR 83 HB THR 83 11.858 2.406 -2.086 508 HG1 THR 83 HG1 THR 83 9.926 0.361 -2.376 509 HG21 THR 83 HG21 THR 83 12.674 -0.091 -3.441 510 HG22 THR 83 HG22 THR 83 13.254 1.560 -3.659 511 HG23 THR 83 HG23 THR 83 11.741 1.051 -4.408 512 H LEU 84 H LEU 84 13.667 2.401 -0.725 513 HA LEU 84 HA LEU 84 12.458 3.286 1.792 514 HB2 LEU 84 HB1 LEU 84 15.366 2.601 1.362 515 HB3 LEU 84 HB2 LEU 84 14.779 3.575 2.721 516 HG LEU 84 HG LEU 84 13.997 0.712 2.174 517 HD11 LEU 84 HD11 LEU 84 15.536 1.406 4.578 518 HD12 LEU 84 HD12 LEU 84 16.418 1.533 3.057 519 HD13 LEU 84 HD13 LEU 84 15.658 0.008 3.512 520 HD21 LEU 84 HD21 LEU 84 12.245 1.916 3.323 521 HD22 LEU 84 HD22 LEU 84 13.406 2.559 4.486 522 HD23 LEU 84 HD23 LEU 84 13.055 0.830 4.454 523 H CYS 85 H CYS 85 12.272 5.433 1.925 524 HA CYS 85 HA CYS 85 13.050 7.081 -0.261 525 HB2 CYS 85 HB1 CYS 85 11.026 7.338 1.316 526 HB3 CYS 85 HB2 CYS 85 12.162 8.108 2.426 527 H VAL 86 H VAL 86 15.187 7.377 -0.561 528 HA VAL 86 HA VAL 86 16.689 8.600 1.656 529 HB VAL 86 HB VAL 86 17.778 6.581 -0.310 530 HG11 VAL 86 HG11 VAL 86 19.428 8.283 0.201 531 HG12 VAL 86 HG12 VAL 86 19.142 8.072 1.930 532 HG13 VAL 86 HG13 VAL 86 19.860 6.765 0.987 533 HG21 VAL 86 HG21 VAL 86 16.332 5.705 1.556 534 HG22 VAL 86 HG22 VAL 86 17.979 5.076 1.517 535 HG23 VAL 86 HG23 VAL 86 17.541 6.326 2.681 536 H ASN 87 H ASN 87 18.076 10.255 1.121 537 HA ASN 87 HA ASN 87 18.851 12.042 -0.054 538 HB2 ASN 87 HB1 ASN 87 19.951 10.036 -1.263 539 HB3 ASN 87 HB2 ASN 87 18.769 10.347 -2.540 540 HD21 ASN 87 HD21 ASN 87 19.953 11.171 -4.136 541 HD22 ASN 87 HD22 ASN 87 20.965 12.566 -4.006 542 H ASP 88 H ASP 88 15.985 11.653 0.185 543 HA ASP 88 HA ASP 88 14.061 12.651 -0.507 544 HB2 ASP 88 HB1 ASP 88 15.592 14.240 -2.549 545 HB3 ASP 88 HB2 ASP 88 14.193 14.721 -1.578 546 HD2 ASP 88 HD ASP 88 17.764 15.416 -0.169 547 H VAL 89 H VAL 89 15.260 10.297 -1.917 548 HA VAL 89 HA VAL 89 13.403 10.300 -4.161 549 HB VAL 89 HB VAL 89 15.175 9.229 -5.632 550 HG11 VAL 89 HG11 VAL 89 16.127 11.434 -6.306 551 HG12 VAL 89 HG12 VAL 89 14.372 11.430 -6.126 552 HG13 VAL 89 HG13 VAL 89 15.388 12.136 -4.868 553 HG21 VAL 89 HG21 VAL 89 17.020 10.519 -3.623 554 HG22 VAL 89 HG22 VAL 89 16.816 8.785 -3.869 555 HG23 VAL 89 HG23 VAL 89 17.502 9.782 -5.151 556 H CYS 90 H CYS 90 12.879 8.184 -4.926 557 HA CYS 90 HA CYS 90 12.756 6.239 -2.870 558 HB2 CYS 90 HB1 CYS 90 11.979 6.324 -5.766 559 HB3 CYS 90 HB2 CYS 90 11.972 4.778 -4.913 560 H THR 91 H THR 91 14.549 5.244 -2.189 561 HA THR 91 HA THR 91 16.410 4.182 -4.210 562 HB THR 91 HB THR 91 16.968 4.778 -1.297 563 HG1 THR 91 HG1 THR 91 16.697 6.557 -2.997 564 HG21 THR 91 HG21 THR 91 18.290 3.056 -3.061 565 HG22 THR 91 HG22 THR 91 18.894 3.673 -1.523 566 HG23 THR 91 HG23 THR 91 19.267 4.523 -3.023 567 H THR 92 H THR 92 16.507 2.052 -4.451 568 HA THR 92 HA THR 92 14.859 0.255 -3.103 569 HB THR 92 HB THR 92 17.400 -0.783 -4.259 570 HG1 THR 92 HG1 THR 92 16.844 -0.210 -6.308 571 HG21 THR 92 HG21 THR 92 16.082 -2.591 -4.021 572 HG22 THR 92 HG22 THR 92 15.295 -2.016 -5.491 573 HG23 THR 92 HG23 THR 92 14.613 -1.623 -3.913 574 H MET 93 H MET 93 15.374 -1.482 -1.658 575 HA MET 93 HA MET 93 16.876 -0.678 0.587 576 HB2 MET 93 HB1 MET 93 14.901 -2.296 0.493 577 HB3 MET 93 HB2 MET 93 16.076 -3.520 -0.013 578 HG2 MET 93 HG1 MET 93 16.883 -3.793 2.055 579 HG3 MET 93 HG2 MET 93 16.891 -2.057 2.370 580 HE1 MET 93 HE1 MET 93 15.713 -4.003 5.040 581 HE2 MET 93 HE2 MET 93 16.534 -2.501 4.614 582 HE3 MET 93 HE3 MET 93 14.927 -2.453 5.343 583 H GLU 94 H GLU 94 17.625 -2.721 -2.166 584 HA GLU 94 HA GLU 94 19.935 -3.964 -1.215 585 HB2 GLU 94 HB1 GLU 94 18.992 -3.182 -3.961 586 HB3 GLU 94 HB2 GLU 94 20.585 -3.921 -3.727 587 HG2 GLU 94 HG1 GLU 94 19.714 -5.951 -3.068 588 HG3 GLU 94 HG2 GLU 94 18.171 -5.239 -2.576 589 HE2 GLU 94 HE GLU 94 17.946 -5.014 -6.390 590 H ASP 95 H ASP 95 19.436 -0.756 -2.546 591 HA ASP 95 HA ASP 95 22.249 -0.153 -2.690 592 HB2 ASP 95 HB1 ASP 95 20.601 0.867 -4.239 593 HB3 ASP 95 HB2 ASP 95 19.871 1.709 -2.865 594 HD2 ASP 95 HD ASP 95 23.017 3.279 -4.531 595 H ALA 96 H ALA 96 19.565 0.596 -0.519 596 HA ALA 96 HA ALA 96 21.168 2.261 1.193 597 HB1 ALA 96 HB1 ALA 96 18.482 1.057 1.825 598 HB2 ALA 96 HB2 ALA 96 19.224 2.489 2.542 599 HB3 ALA 96 HB3 ALA 96 18.693 2.519 0.860 600 H THR 97 H THR 97 22.898 0.712 1.571 601 HA THR 97 HA THR 97 22.309 -0.959 3.897 602 HB THR 97 HB THR 97 24.143 -2.542 2.654 603 HG1 THR 97 HG1 THR 97 24.091 -2.119 0.588 604 HG21 THR 97 HG21 THR 97 21.254 -2.603 3.122 605 HG22 THR 97 HG22 THR 97 22.479 -3.832 3.437 606 HG23 THR 97 HG23 THR 97 21.790 -3.667 1.822 607 H GLU 98 H GLU 98 23.401 0.622 5.115 608 HA GLU 98 HA GLU 98 26.262 0.266 5.179 609 HB2 GLU 98 HB1 GLU 98 25.398 2.304 3.592 610 HB3 GLU 98 HB2 GLU 98 25.571 3.131 5.147 611 HG2 GLU 98 HG1 GLU 98 27.840 2.878 5.210 612 HG3 GLU 98 HG2 GLU 98 27.804 1.403 4.230 613 HE2 GLU 98 HE GLU 98 27.264 3.662 1.368 614 H ASN 99 H ASN 99 27.220 1.025 7.123 615 HA ASN 99 HA ASN 99 25.430 0.973 9.359 616 HB2 ASN 99 HB1 ASN 99 27.848 0.022 9.162 617 HB3 ASN 99 HB2 ASN 99 28.343 1.670 9.569 618 HD21 ASN 99 HD21 ASN 99 26.248 -0.951 10.678 619 HD22 ASN 99 HD22 ASN 99 26.430 -0.619 12.364 620 H LEU 100 H LEU 100 24.774 2.609 10.658 621 HA LEU 100 HA LEU 100 24.736 5.237 9.677 622 HB2 LEU 100 HB1 LEU 100 23.710 3.787 11.955 623 HB3 LEU 100 HB2 LEU 100 24.300 5.387 12.437 624 HG LEU 100 HG LEU 100 22.638 5.522 10.062 625 HD11 LEU 100 HD11 LEU 100 21.302 3.786 10.741 626 HD12 LEU 100 HD12 LEU 100 20.544 5.137 11.582 627 HD13 LEU 100 HD13 LEU 100 21.631 4.056 12.453 628 HD21 LEU 100 HD21 LEU 100 23.285 7.432 11.454 629 HD22 LEU 100 HD22 LEU 100 22.397 6.741 12.812 630 HD23 LEU 100 HD23 LEU 100 21.532 7.256 11.362 631 H TYR 101 H TYR 101 25.668 7.160 10.572 632 HA TYR 101 HA TYR 101 28.442 6.997 10.971 633 HB2 TYR 101 HB1 TYR 101 26.396 9.174 11.210 634 HB3 TYR 101 HB2 TYR 101 28.029 9.463 11.817 635 HD1 TYR 101 HD1 TYR 101 29.650 10.281 10.381 636 HD2 TYR 101 HD2 TYR 101 26.295 8.240 8.745 637 HE1 TYR 101 HE1 TYR 101 30.428 10.833 8.113 638 HE2 TYR 101 HE2 TYR 101 27.064 8.785 6.473 639 HH TYR 101 HH TYR 101 28.927 11.031 5.652 640 H PHE 102 H PHE 102 29.544 8.094 12.893 641 HA PHE 102 HA PHE 102 28.278 7.223 15.406 642 HB2 PHE 102 HB1 PHE 102 30.427 6.462 16.234 643 HB3 PHE 102 HB2 PHE 102 30.058 5.649 14.711 644 HD1 PHE 102 HD1 PHE 102 32.311 7.922 16.406 645 HD2 PHE 102 HD2 PHE 102 31.225 6.273 12.635 646 HE1 PHE 102 HE1 PHE 102 34.463 8.659 15.467 647 HE2 PHE 102 HE2 PHE 102 33.376 7.007 11.691 648 HZ PHE 102 HZ PHE 102 34.998 8.201 13.107 649 H GLN 103 H GLN 103 29.395 8.231 17.353 650 HA GLN 103 HA GLN 103 29.889 10.095 18.558 651 HB2 GLN 103 HB1 GLN 103 31.852 9.887 16.679 652 HB3 GLN 103 HB2 GLN 103 31.237 11.516 16.359 653 HG2 GLN 103 HG1 GLN 103 31.528 11.215 19.177 654 HG3 GLN 103 HG2 GLN 103 33.016 10.675 18.388 655 HE21 GLN 103 HE21 GLN 103 31.598 13.259 19.728 656 HE22 GLN 103 HE22 GLN 103 32.399 14.531 18.878 657 H SER 104 H SER 104 29.925 12.698 18.242 658 HA SER 104 HA SER 104 28.097 13.781 16.373 659 HB2 SER 104 HB1 SER 104 26.325 14.377 18.147 660 HB3 SER 104 HB2 SER 104 26.324 12.722 17.514 661 HG SER 104 HG SER 104 27.002 11.972 19.393 662 H LEU 105 H LEU 105 27.803 16.050 16.629 663 HA LEU 105 HA LEU 105 30.022 17.352 17.837 664 HB2 LEU 105 HB1 LEU 105 27.543 18.274 16.418 665 HB3 LEU 105 HB2 LEU 105 28.607 19.438 17.225 666 HG LEU 105 HG LEU 105 30.117 17.691 15.487 667 HD11 LEU 105 HD11 LEU 105 29.233 18.415 13.366 668 HD12 LEU 105 HD12 LEU 105 27.965 19.340 14.170 669 HD13 LEU 105 HD13 LEU 105 27.971 17.579 14.271 670 HD21 LEU 105 HD21 LEU 105 30.767 19.920 14.533 671 HD22 LEU 105 HD22 LEU 105 31.035 19.739 16.267 672 HD23 LEU 105 HD23 LEU 105 29.648 20.658 15.680 673 H GLU 106 H GLU 106 30.250 17.944 19.881 674 HA GLU 106 HA GLU 106 28.089 17.772 21.745 675 HB2 GLU 106 HB1 GLU 106 30.959 17.980 21.835 676 HB3 GLU 106 HB2 GLU 106 30.234 19.154 22.944 677 HG2 GLU 106 HG1 GLU 106 29.426 17.571 24.342 678 HG3 GLU 106 HG2 GLU 106 29.134 16.417 23.032 679 HE2 GLU 106 HE GLU 106 32.255 15.829 25.153 680 H HIS 107 H HIS 107 26.701 19.302 22.331 681 HA HIS 107 HA HIS 107 27.358 22.104 21.693 682 HB2 HIS 107 HB1 HIS 107 24.691 20.680 21.596 683 HB3 HIS 107 HB2 HIS 107 24.867 22.434 21.482 684 HD1 HIS 107 HD1 HIS 107 25.248 19.324 19.499 685 HD2 HIS 107 HD2 HIS 107 26.041 23.381 19.078 686 HE1 HIS 107 HE1 HIS 107 25.701 19.670 17.049 687 HE2 HIS 107 HE2 HIS 107 26.185 22.150 16.791 688 H HIS 108 H HIS 108 24.802 20.529 23.602 689 HA HIS 108 HA HIS 108 24.106 20.816 25.749 690 HB2 HIS 108 HB1 HIS 108 26.796 20.417 25.916 691 HB3 HIS 108 HB2 HIS 108 26.637 21.982 26.718 692 HD1 HIS 108 HD1 HIS 108 26.775 21.481 29.143 693 HD2 HIS 108 HD2 HIS 108 24.253 18.850 27.149 694 HE1 HIS 108 HE1 HIS 108 25.741 20.051 30.936 695 HE2 HIS 108 HE2 HIS 108 24.200 18.442 29.718 696 H HIS 109 H HIS 109 24.024 22.545 27.587 697 HA HIS 109 HA HIS 109 24.422 25.268 26.773 698 HB2 HIS 109 HB1 HIS 109 22.055 24.075 25.922 699 HB3 HIS 109 HB2 HIS 109 21.588 24.969 27.372 700 HD1 HIS 109 HD1 HIS 109 21.949 27.575 27.339 701 HD2 HIS 109 HD2 HIS 109 22.596 25.659 23.709 702 HE1 HIS 109 HE1 HIS 109 21.968 29.401 25.609 703 HE2 HIS 109 HE2 HIS 109 22.364 28.230 23.389 704 H HIS 110 H HIS 110 23.287 26.775 28.435 705 HA HIS 110 HA HIS 110 23.153 25.516 31.078 706 HB2 HIS 110 HB1 HIS 110 24.646 27.115 32.073 707 HB3 HIS 110 HB2 HIS 110 25.475 26.362 30.707 708 HD1 HIS 110 HD1 HIS 110 24.475 29.624 32.026 709 HD2 HIS 110 HD2 HIS 110 25.632 28.057 28.356 710 HE1 HIS 110 HE1 HIS 110 25.084 31.610 30.609 711 HE2 HIS 110 HE2 HIS 110 25.792 30.653 28.366 712 H HIS 111 H HIS 111 22.523 27.298 32.755 713 HA HIS 111 HA HIS 111 20.520 29.083 31.540 714 HB2 HIS 111 HB1 HIS 111 20.053 26.831 33.217 715 HB3 HIS 111 HB2 HIS 111 19.673 28.280 34.152 716 HD1 HIS 111 HD1 HIS 111 18.201 26.032 31.761 717 HD2 HIS 111 HD2 HIS 111 17.792 30.061 32.687 718 HE1 HIS 111 HE1 HIS 111 16.002 26.732 30.762 719 HE2 HIS 111 HE2 HIS 111 15.751 29.194 31.326 720 H HIS 112 H HIS 112 19.960 30.953 32.808 721 HA HIS 112 HA HIS 112 22.254 31.967 34.281 722 HB2 HIS 112 HB1 HIS 112 20.004 33.120 32.779 723 HB3 HIS 112 HB2 HIS 112 20.411 34.004 34.253 724 HD1 HIS 112 HD1 HIS 112 22.714 35.178 34.361 725 HD2 HIS 112 HD2 HIS 112 21.939 33.277 30.750 726 HE1 HIS 112 HE1 HIS 112 24.463 36.027 32.765 727 HE2 HIS 112 HE2 HIS 112 23.989 34.865 30.557 Start of MODEL 63 1 H1 MET 18 H MET 18 -54.270 45.445 28.875 2 HA MET 18 HA MET 18 -52.873 46.364 30.825 3 HB2 MET 18 HB1 MET 18 -52.804 43.517 31.188 4 HB3 MET 18 HB2 MET 18 -51.156 44.120 30.958 5 HG2 MET 18 HG1 MET 18 -51.501 45.754 32.765 6 HG3 MET 18 HG2 MET 18 -53.126 45.106 33.007 7 HE1 MET 18 HE1 MET 18 -49.622 44.123 35.235 8 HE2 MET 18 HE2 MET 18 -50.297 45.571 34.488 9 HE3 MET 18 HE3 MET 18 -51.130 44.807 35.843 10 H LEU 19 H LEU 19 -52.479 44.343 28.012 11 HA LEU 19 HA LEU 19 -50.089 45.896 27.265 12 HB2 LEU 19 HB1 LEU 19 -50.858 43.194 26.169 13 HB3 LEU 19 HB2 LEU 19 -49.317 44.050 25.985 14 HG LEU 19 HG LEU 19 -49.330 43.790 28.646 15 HD11 LEU 19 HD11 LEU 19 -51.577 42.552 28.364 16 HD12 LEU 19 HD12 LEU 19 -50.356 41.868 29.435 17 HD13 LEU 19 HD13 LEU 19 -50.582 41.203 27.818 18 HD21 LEU 19 HD21 LEU 19 -47.762 42.927 26.727 19 HD22 LEU 19 HD22 LEU 19 -48.533 41.381 27.085 20 HD23 LEU 19 HD23 LEU 19 -47.661 42.247 28.351 21 H VAL 20 H VAL 20 -49.937 46.713 25.175 22 HA VAL 20 HA VAL 20 -52.506 46.905 23.760 23 HB VAL 20 HB VAL 20 -51.537 48.891 22.645 24 HG11 VAL 20 HG11 VAL 20 -52.377 48.633 25.333 25 HG12 VAL 20 HG12 VAL 20 -51.084 49.834 25.296 26 HG13 VAL 20 HG13 VAL 20 -52.509 50.039 24.276 27 HG21 VAL 20 HG21 VAL 20 -49.218 48.418 24.517 28 HG22 VAL 20 HG22 VAL 20 -49.185 48.295 22.759 29 HG23 VAL 20 HG23 VAL 20 -49.453 49.858 23.528 30 H LEU 21 H LEU 21 -52.700 46.398 21.618 31 HA LEU 21 HA LEU 21 -50.876 44.513 20.539 32 HB2 LEU 21 HB1 LEU 21 -52.295 44.699 18.483 33 HB3 LEU 21 HB2 LEU 21 -53.166 44.299 19.974 34 HG LEU 21 HG LEU 21 -53.133 47.159 19.456 35 HD11 LEU 21 HD11 LEU 21 -54.527 45.408 17.439 36 HD12 LEU 21 HD12 LEU 21 -53.067 46.345 17.122 37 HD13 LEU 21 HD13 LEU 21 -54.571 47.170 17.529 38 HD21 LEU 21 HD21 LEU 21 -55.676 46.594 19.576 39 HD22 LEU 21 HD22 LEU 21 -54.676 46.478 21.024 40 HD23 LEU 21 HD23 LEU 21 -55.103 45.020 20.126 41 H ASP 22 H ASP 22 -49.148 44.782 19.283 42 HA ASP 22 HA ASP 22 -48.816 47.312 17.832 43 HB2 ASP 22 HB1 ASP 22 -46.605 47.656 18.593 44 HB3 ASP 22 HB2 ASP 22 -47.545 47.283 20.044 45 HD2 ASP 22 HD ASP 22 -46.015 44.086 20.272 46 H PHE 23 H PHE 23 -47.973 47.114 15.829 47 HA PHE 23 HA PHE 23 -47.916 44.612 14.569 48 HB2 PHE 23 HB1 PHE 23 -47.786 47.300 13.781 49 HB3 PHE 23 HB2 PHE 23 -46.296 46.571 13.178 50 HD1 PHE 23 HD1 PHE 23 -49.973 46.348 13.065 51 HD2 PHE 23 HD2 PHE 23 -46.292 45.055 11.362 52 HE1 PHE 23 HE1 PHE 23 -51.198 45.374 11.166 53 HE2 PHE 23 HE2 PHE 23 -47.510 44.079 9.460 54 HZ PHE 23 HZ PHE 23 -49.966 44.238 9.360 55 H ASN 24 H ASN 24 -46.522 43.063 15.143 56 HA ASN 24 HA ASN 24 -43.808 43.688 15.916 57 HB2 ASN 24 HB1 ASN 24 -45.615 41.603 16.453 58 HB3 ASN 24 HB2 ASN 24 -44.306 40.867 15.522 59 HD21 ASN 24 HD21 ASN 24 -45.306 41.669 18.555 60 HD22 ASN 24 HD22 ASN 24 -43.783 41.645 19.372 61 H ASN 25 H ASN 25 -41.931 42.940 14.867 62 HA ASN 25 HA ASN 25 -42.121 42.961 11.997 63 HB2 ASN 25 HB1 ASN 25 -40.148 43.595 13.915 64 HB3 ASN 25 HB2 ASN 25 -39.492 42.265 12.952 65 HD21 ASN 25 HD21 ASN 25 -38.916 42.599 10.861 66 HD22 ASN 25 HD22 ASN 25 -38.943 44.147 10.094 67 H ILE 26 H ILE 26 -41.052 41.337 10.636 68 HA ILE 26 HA ILE 26 -41.037 38.642 11.805 69 HB ILE 26 HB ILE 26 -42.093 37.819 9.656 70 HG12 ILE 26 HG11 ILE 26 -43.432 40.434 9.319 71 HG13 ILE 26 HG12 ILE 26 -41.745 40.370 8.783 72 HG21 ILE 26 HG21 ILE 26 -43.561 39.424 11.715 73 HG22 ILE 26 HG22 ILE 26 -44.428 38.605 10.417 74 HG23 ILE 26 HG23 ILE 26 -43.442 37.673 11.543 75 HD11 ILE 26 HD11 ILE 26 -43.026 39.859 6.888 76 HD12 ILE 26 HD12 ILE 26 -42.380 38.316 7.450 77 HD13 ILE 26 HD13 ILE 26 -44.057 38.745 7.785 78 H ARG 27 H ARG 27 -38.688 39.264 11.695 79 HA ARG 27 HA ARG 27 -37.398 39.485 9.172 80 HB2 ARG 27 HB1 ARG 27 -36.487 38.989 11.988 81 HB3 ARG 27 HB2 ARG 27 -35.351 38.788 10.644 82 HG2 ARG 27 HG1 ARG 27 -36.852 41.299 10.538 83 HG3 ARG 27 HG2 ARG 27 -35.833 41.122 11.976 84 HD2 ARG 27 HD1 ARG 27 -33.872 41.052 10.766 85 HD3 ARG 27 HD2 ARG 27 -34.678 40.430 9.320 86 HE ARG 27 HE ARG 27 -35.694 42.939 9.605 87 HH11 ARG 27 HH11 ARG 27 -32.480 41.615 9.406 88 HH12 ARG 27 HH12 ARG 27 -31.804 43.026 8.663 89 HH21 ARG 27 HH21 ARG 27 -34.816 44.803 8.628 90 HH22 ARG 27 HH22 ARG 27 -33.133 44.840 8.222 91 H SER 28 H SER 28 -36.588 37.966 7.838 92 HA SER 28 HA SER 28 -37.115 35.164 8.540 93 HB2 SER 28 HB1 SER 28 -36.679 36.495 5.848 94 HB3 SER 28 HB2 SER 28 -36.920 34.755 6.083 95 HG SER 28 HG SER 28 -38.948 35.386 7.156 96 H SER 29 H SER 29 -35.453 33.977 9.171 97 HA SER 29 HA SER 29 -32.738 34.861 8.664 98 HB2 SER 29 HB1 SER 29 -33.448 34.015 10.904 99 HB3 SER 29 HB2 SER 29 -33.692 32.418 10.177 100 HG SER 29 HG SER 29 -31.613 32.092 10.190 101 H ALA 30 H ALA 30 -32.342 34.507 6.504 102 HA ALA 30 HA ALA 30 -32.101 31.685 5.727 103 HB1 ALA 30 HB1 ALA 30 -34.176 32.763 4.753 104 HB2 ALA 30 HB2 ALA 30 -33.086 33.770 3.799 105 HB3 ALA 30 HB3 ALA 30 -33.067 32.017 3.602 106 H ASP 31 H ASP 31 -30.874 31.668 3.468 107 HA ASP 31 HA ASP 31 -28.881 31.956 2.411 108 HB2 ASP 31 HB1 ASP 31 -29.985 34.303 2.204 109 HB3 ASP 31 HB2 ASP 31 -28.790 34.787 3.416 110 HD2 ASP 31 HD ASP 31 -26.258 33.787 0.947 111 H LEU 32 H LEU 32 -28.402 30.593 4.521 112 HA LEU 32 HA LEU 32 -26.550 31.923 6.318 113 HB2 LEU 32 HB1 LEU 32 -27.644 29.122 6.140 114 HB3 LEU 32 HB2 LEU 32 -26.353 29.567 7.269 115 HG LEU 32 HG LEU 32 -28.868 31.153 7.340 116 HD11 LEU 32 HD11 LEU 32 -30.172 29.395 7.710 117 HD12 LEU 32 HD12 LEU 32 -29.239 29.086 9.174 118 HD13 LEU 32 HD13 LEU 32 -28.797 28.292 7.663 119 HD21 LEU 32 HD21 LEU 32 -28.201 30.670 9.876 120 HD22 LEU 32 HD22 LEU 32 -27.472 31.967 8.930 121 HD23 LEU 32 HD23 LEU 32 -26.621 30.434 9.129 122 H HIS 33 H HIS 33 -24.499 30.539 6.840 123 HA HIS 33 HA HIS 33 -22.866 30.603 4.515 124 HB2 HIS 33 HB1 HIS 33 -21.054 29.957 5.953 125 HB3 HIS 33 HB2 HIS 33 -22.065 31.110 6.830 126 HD1 HIS 33 HD1 HIS 33 -23.488 30.196 8.814 127 HD2 HIS 33 HD2 HIS 33 -20.947 27.404 7.080 128 HE1 HIS 33 HE1 HIS 33 -23.400 28.273 10.431 129 HE2 HIS 33 HE2 HIS 33 -21.848 26.566 9.372 130 H GLY 34 H GLY 34 -21.516 28.786 3.765 131 HA2 GLY 34 HA2 GLY 34 -22.416 26.099 4.296 132 HA3 GLY 34 HA3 GLY 34 -22.906 26.699 2.719 133 HA1 GLY 34 HA1 GLY 34 -21.706 26.596 4.470 134 H ALA 35 H ALA 35 -20.251 25.647 4.696 135 HA ALA 35 HA ALA 35 -18.183 26.251 2.825 136 HB1 ALA 35 HB1 ALA 35 -18.205 24.303 5.128 137 HB2 ALA 35 HB2 ALA 35 -16.775 24.833 4.242 138 HB3 ALA 35 HB3 ALA 35 -17.701 25.992 5.195 139 H ARG 36 H ARG 36 -16.831 24.585 1.780 140 HA ARG 36 HA ARG 36 -18.486 22.779 0.272 141 HB2 ARG 36 HB1 ARG 36 -15.492 23.223 0.219 142 HB3 ARG 36 HB2 ARG 36 -16.409 22.270 -0.957 143 HG2 ARG 36 HG1 ARG 36 -17.277 24.099 -2.001 144 HG3 ARG 36 HG2 ARG 36 -17.239 25.082 -0.529 145 HD2 ARG 36 HD1 ARG 36 -14.724 24.214 -1.949 146 HD3 ARG 36 HD2 ARG 36 -15.592 25.697 -2.369 147 HE ARG 36 HE ARG 36 -15.193 25.795 0.361 148 HH11 ARG 36 HH11 ARG 36 -13.220 25.634 -2.503 149 HH12 ARG 36 HH12 ARG 36 -11.893 26.493 -1.796 150 HH21 ARG 36 HH21 ARG 36 -13.452 26.927 1.305 151 HH22 ARG 36 HH22 ARG 36 -12.026 27.229 0.371 152 H LYS 37 H LYS 37 -16.223 22.555 2.912 153 HA LYS 37 HA LYS 37 -15.767 20.851 4.356 154 HB2 LYS 37 HB1 LYS 37 -17.646 19.066 2.820 155 HB3 LYS 37 HB2 LYS 37 -17.222 19.008 4.539 156 HG2 LYS 37 HG1 LYS 37 -18.332 21.472 4.399 157 HG3 LYS 37 HG2 LYS 37 -19.248 20.616 3.144 158 HD2 LYS 37 HD1 LYS 37 -19.454 18.748 4.979 159 HD3 LYS 37 HD2 LYS 37 -19.111 20.092 6.081 160 HE2 LYS 37 HE1 LYS 37 -21.094 20.859 4.114 161 HE3 LYS 37 HE2 LYS 37 -21.583 19.395 4.981 162 HZ1 LYS 37 HZ1 LYS 37 -22.374 21.007 6.368 163 HZ2 LYS 37 HZ2 LYS 37 -21.130 22.099 6.022 164 HZ3 LYS 37 HZ3 LYS 37 -20.839 20.783 7.046 165 H GLY 38 H GLY 38 -16.463 19.099 1.324 166 HA2 GLY 38 HA2 GLY 38 -15.000 18.040 -0.130 167 HA3 GLY 38 HA3 GLY 38 -13.657 18.657 0.822 168 HA1 GLY 38 HA1 GLY 38 -15.553 17.753 0.494 169 H SER 39 H SER 39 -12.473 17.124 1.721 170 HA SER 39 HA SER 39 -11.817 15.125 2.589 171 HB2 SER 39 HB1 SER 39 -14.488 15.628 3.849 172 HB3 SER 39 HB2 SER 39 -13.712 14.054 4.102 173 HG SER 39 HG SER 39 -12.366 14.960 5.427 174 H GLN 40 H GLN 40 -11.710 14.166 0.489 175 HA GLN 40 HA GLN 40 -13.949 12.680 -0.532 176 HB2 GLN 40 HB1 GLN 40 -12.023 13.797 -1.855 177 HB3 GLN 40 HB2 GLN 40 -11.112 12.333 -1.452 178 HG2 GLN 40 HG1 GLN 40 -13.788 12.285 -2.837 179 HG3 GLN 40 HG2 GLN 40 -12.240 12.332 -3.692 180 HE21 GLN 40 HE21 GLN 40 -10.639 10.622 -2.794 181 HE22 GLN 40 HE22 GLN 40 -11.291 9.031 -2.632 182 H CYS 41 H CYS 41 -11.025 11.979 1.279 183 HA CYS 41 HA CYS 41 -12.063 9.287 1.799 184 HB2 CYS 41 HB1 CYS 41 -9.954 8.236 1.446 185 HB3 CYS 41 HB2 CYS 41 -10.293 9.206 0.012 186 H LEU 42 H LEU 42 -11.393 8.369 3.787 187 HA LEU 42 HA LEU 42 -10.815 10.361 5.813 188 HB2 LEU 42 HB1 LEU 42 -12.143 7.804 5.690 189 HB3 LEU 42 HB2 LEU 42 -10.939 7.817 6.990 190 HG LEU 42 HG LEU 42 -13.148 9.850 6.692 191 HD11 LEU 42 HD11 LEU 42 -13.433 8.227 8.998 192 HD12 LEU 42 HD12 LEU 42 -13.269 7.165 7.600 193 HD13 LEU 42 HD13 LEU 42 -14.531 8.398 7.629 194 HD21 LEU 42 HD21 LEU 42 -12.531 10.553 8.904 195 HD22 LEU 42 HD22 LEU 42 -11.099 10.603 7.874 196 HD23 LEU 42 HD23 LEU 42 -11.318 9.278 9.018 197 H SER 43 H SER 43 -9.199 7.788 4.148 198 HA SER 43 HA SER 43 -6.648 8.579 5.056 199 HB2 SER 43 HB1 SER 43 -8.044 6.549 6.653 200 HB3 SER 43 HB2 SER 43 -6.454 6.021 6.076 201 HG SER 43 HG SER 43 -7.073 7.856 7.990 202 H ASP 44 H ASP 44 -5.013 6.638 4.552 203 HA ASP 44 HA ASP 44 -5.163 6.195 1.792 204 HB2 ASP 44 HB1 ASP 44 -3.532 4.484 3.667 205 HB3 ASP 44 HB2 ASP 44 -3.155 4.965 2.008 206 HD2 ASP 44 HD ASP 44 -1.649 7.129 4.744 207 H THR 45 H THR 45 -6.400 4.381 4.467 208 HA THR 45 HA THR 45 -6.630 1.839 3.336 209 HB THR 45 HB THR 45 -8.723 1.696 4.877 210 HG1 THR 45 HG1 THR 45 -7.554 4.013 6.016 211 HG21 THR 45 HG21 THR 45 -6.931 2.039 6.896 212 HG22 THR 45 HG22 THR 45 -5.858 1.850 5.508 213 HG23 THR 45 HG23 THR 45 -7.037 0.596 5.889 214 H ASP 46 H ASP 46 -8.411 4.746 2.737 215 HA ASP 46 HA ASP 46 -10.744 3.577 1.626 216 HB2 ASP 46 HB1 ASP 46 -10.460 5.975 2.426 217 HB3 ASP 46 HB2 ASP 46 -9.605 6.279 0.909 218 HD2 ASP 46 HD ASP 46 -12.527 6.338 -0.915 219 H CYS 47 H CYS 47 -7.571 4.268 0.379 220 HA CYS 47 HA CYS 47 -8.205 4.158 -2.381 221 HB2 CYS 47 HB1 CYS 47 -5.835 4.390 -0.736 222 HB3 CYS 47 HB2 CYS 47 -5.557 3.270 -2.071 223 H ASN 48 H ASN 48 -6.769 2.369 -3.662 224 HA ASN 48 HA ASN 48 -8.229 0.028 -3.618 225 HB2 ASN 48 HB1 ASN 48 -5.428 0.579 -4.614 226 HB3 ASN 48 HB2 ASN 48 -6.251 -0.962 -4.880 227 HD21 ASN 48 HD21 ASN 48 -5.339 1.057 -6.795 228 HD22 ASN 48 HD22 ASN 48 -6.734 1.495 -7.716 229 H THR 49 H THR 49 -4.780 0.032 -2.755 230 HA THR 49 HA THR 49 -5.251 -1.268 -0.236 231 HB THR 49 HB THR 49 -3.975 -2.862 -2.466 232 HG1 THR 49 HG1 THR 49 -5.762 -4.229 -2.154 233 HG21 THR 49 HG21 THR 49 -4.271 -3.418 0.483 234 HG22 THR 49 HG22 THR 49 -2.778 -3.320 -0.451 235 HG23 THR 49 HG23 THR 49 -3.894 -4.662 -0.709 236 H ARG 50 H ARG 50 -2.579 -1.499 -2.577 237 HA ARG 50 HA ARG 50 -0.776 -0.420 -0.545 238 HB2 ARG 50 HB1 ARG 50 1.025 -1.160 -2.091 239 HB3 ARG 50 HB2 ARG 50 -0.047 -2.472 -1.579 240 HG2 ARG 50 HG1 ARG 50 -0.855 -1.145 -4.073 241 HG3 ARG 50 HG2 ARG 50 0.697 -1.997 -4.141 242 HD2 ARG 50 HD1 ARG 50 -1.714 -3.330 -2.944 243 HD3 ARG 50 HD2 ARG 50 -1.482 -3.286 -4.697 244 HE ARG 50 HE ARG 50 0.889 -4.222 -3.790 245 HH11 ARG 50 HH11 ARG 50 -2.421 -5.159 -3.254 246 HH12 ARG 50 HH12 ARG 50 -2.044 -6.833 -3.011 247 HH21 ARG 50 HH21 ARG 50 1.397 -6.422 -3.472 248 HH22 ARG 50 HH22 ARG 50 0.128 -7.550 -3.134 249 H LYS 51 H LYS 51 -2.297 1.588 -1.282 250 HA LYS 51 HA LYS 51 -0.497 3.265 -2.850 251 HB2 LYS 51 HB1 LYS 51 -3.371 2.696 -3.521 252 HB3 LYS 51 HB2 LYS 51 -2.643 4.254 -3.943 253 HG2 LYS 51 HG1 LYS 51 -1.748 3.379 -5.766 254 HG3 LYS 51 HG2 LYS 51 -0.880 2.188 -4.783 255 HD2 LYS 51 HD1 LYS 51 -2.573 0.586 -4.984 256 HD3 LYS 51 HD2 LYS 51 -3.774 1.797 -5.466 257 HE2 LYS 51 HE1 LYS 51 -3.059 1.863 -7.645 258 HE3 LYS 51 HE2 LYS 51 -1.398 1.431 -7.213 259 HZ1 LYS 51 HZ1 LYS 51 -1.889 -0.612 -7.874 260 HZ2 LYS 51 HZ2 LYS 51 -3.538 -0.262 -8.012 261 HZ3 LYS 51 HZ3 LYS 51 -2.902 -0.761 -6.526 262 H PHE 52 H PHE 52 -1.060 5.595 -2.650 263 HA PHE 52 HA PHE 52 -2.156 6.123 0.029 264 HB2 PHE 52 HB1 PHE 52 -0.857 8.298 -0.178 265 HB3 PHE 52 HB2 PHE 52 0.106 6.826 -0.037 266 HD1 PHE 52 HD1 PHE 52 -1.390 8.960 -2.708 267 HD2 PHE 52 HD2 PHE 52 1.887 6.550 -1.453 268 HE1 PHE 52 HE1 PHE 52 -0.186 9.524 -4.778 269 HE2 PHE 52 HE2 PHE 52 3.096 7.112 -3.522 270 HZ PHE 52 HZ PHE 52 2.060 8.601 -5.187 271 H CYS 53 H CYS 53 -3.398 8.067 0.349 272 HA CYS 53 HA CYS 53 -5.245 8.521 -1.822 273 HB2 CYS 53 HB1 CYS 53 -5.630 8.380 0.815 274 HB3 CYS 53 HB2 CYS 53 -5.374 10.121 0.689 275 H LEU 54 H LEU 54 -4.197 9.678 -3.404 276 HA LEU 54 HA LEU 54 -2.748 12.092 -2.765 277 HB2 LEU 54 HB1 LEU 54 -2.488 10.308 -4.749 278 HB3 LEU 54 HB2 LEU 54 -3.530 11.492 -5.555 279 HG LEU 54 HG LEU 54 -1.169 11.865 -6.065 280 HD11 LEU 54 HD11 LEU 54 -1.064 14.262 -5.352 281 HD12 LEU 54 HD12 LEU 54 -2.516 13.975 -4.392 282 HD13 LEU 54 HD13 LEU 54 -2.567 13.789 -6.145 283 HD21 LEU 54 HD21 LEU 54 0.434 11.743 -4.535 284 HD22 LEU 54 HD22 LEU 54 -0.791 11.262 -3.360 285 HD23 LEU 54 HD23 LEU 54 -0.355 12.963 -3.534 286 H GLN 55 H GLN 55 -3.739 13.946 -2.366 287 HA GLN 55 HA GLN 55 -6.124 14.638 -3.937 288 HB2 GLN 55 HB1 GLN 55 -6.695 15.922 -1.648 289 HB3 GLN 55 HB2 GLN 55 -7.267 14.285 -2.007 290 HG2 GLN 55 HG1 GLN 55 -6.365 14.494 0.270 291 HG3 GLN 55 HG2 GLN 55 -5.484 13.319 -0.716 292 HE21 GLN 55 HE21 GLN 55 -5.391 16.595 0.549 293 HE22 GLN 55 HE22 GLN 55 -3.672 16.756 0.521 294 HA PRO 56 HA PRO 56 -3.040 17.997 -4.377 295 HB2 PRO 56 HB1 PRO 56 -3.773 18.622 -6.941 296 HB3 PRO 56 HB2 PRO 56 -2.648 17.325 -6.539 297 HG2 PRO 56 HG1 PRO 56 -5.587 17.182 -7.124 298 HG3 PRO 56 HG2 PRO 56 -4.249 16.137 -7.734 299 HD2 PRO 56 HD1 PRO 56 -5.908 15.371 -5.726 300 HD3 PRO 56 HD2 PRO 56 -4.202 14.896 -5.793 301 H ARG 57 H ARG 57 -3.327 20.224 -4.337 302 HA ARG 57 HA ARG 57 -5.986 21.111 -3.639 303 HB2 ARG 57 HB1 ARG 57 -3.863 21.799 -2.440 304 HB3 ARG 57 HB2 ARG 57 -3.495 22.799 -3.852 305 HG2 ARG 57 HG1 ARG 57 -5.360 24.202 -3.491 306 HG3 ARG 57 HG2 ARG 57 -6.054 23.079 -2.309 307 HD2 ARG 57 HD1 ARG 57 -3.340 24.013 -1.655 308 HD3 ARG 57 HD2 ARG 57 -4.574 25.279 -1.685 309 HE ARG 57 HE ARG 57 -4.293 23.200 0.260 310 HH11 ARG 57 HH11 ARG 57 -6.571 25.310 -1.315 311 HH12 ARG 57 HH12 ARG 57 -7.706 25.275 -0.008 312 HH21 ARG 57 HH21 ARG 57 -5.780 23.146 1.988 313 HH22 ARG 57 HH22 ARG 57 -7.255 24.044 1.871 314 H ASP 58 H ASP 58 -3.851 21.277 -6.363 315 HA ASP 58 HA ASP 58 -5.404 23.374 -7.655 316 HB2 ASP 58 HB1 ASP 58 -2.850 21.929 -8.282 317 HB3 ASP 58 HB2 ASP 58 -3.717 22.771 -9.573 318 HD2 ASP 58 HD ASP 58 -2.820 25.880 -8.372 319 H GLU 59 H GLU 59 -5.164 19.937 -7.589 320 HA GLU 59 HA GLU 59 -7.070 19.778 -9.831 321 HB2 GLU 59 HB1 GLU 59 -4.753 18.000 -9.115 322 HB3 GLU 59 HB2 GLU 59 -6.118 17.380 -10.058 323 HG2 GLU 59 HG1 GLU 59 -5.673 19.452 -11.574 324 HG3 GLU 59 HG2 GLU 59 -4.079 19.423 -10.806 325 HE2 GLU 59 HE GLU 59 -4.600 15.940 -12.496 326 H LYS 60 H LYS 60 -8.078 17.376 -9.699 327 HA LYS 60 HA LYS 60 -9.528 17.371 -7.190 328 HB2 LYS 60 HB1 LYS 60 -9.878 16.154 -9.882 329 HB3 LYS 60 HB2 LYS 60 -10.607 15.304 -8.510 330 HG2 LYS 60 HG1 LYS 60 -12.290 16.749 -8.390 331 HG3 LYS 60 HG2 LYS 60 -11.179 18.131 -8.404 332 HD2 LYS 60 HD1 LYS 60 -10.973 17.788 -10.911 333 HD3 LYS 60 HD2 LYS 60 -12.336 16.662 -10.765 334 HE2 LYS 60 HE1 LYS 60 -13.420 18.638 -11.301 335 HE3 LYS 60 HE2 LYS 60 -13.498 18.636 -9.532 336 HZ1 LYS 60 HZ1 LYS 60 -12.811 20.787 -10.466 337 HZ2 LYS 60 HZ2 LYS 60 -11.429 20.061 -11.115 338 HZ3 LYS 60 HZ3 LYS 60 -11.639 20.130 -9.437 339 HA PRO 61 HA PRO 61 -7.524 13.997 -5.227 340 HB2 PRO 61 HB1 PRO 61 -9.616 12.631 -4.109 341 HB3 PRO 61 HB2 PRO 61 -9.055 14.196 -3.526 342 HG2 PRO 61 HG1 PRO 61 -11.330 13.560 -5.374 343 HG3 PRO 61 HG2 PRO 61 -11.284 14.690 -3.969 344 HD2 PRO 61 HD1 PRO 61 -11.106 15.541 -6.540 345 HD3 PRO 61 HD2 PRO 61 -10.257 16.342 -5.207 346 H PHE 62 H PHE 62 -6.923 11.861 -5.491 347 HA PHE 62 HA PHE 62 -8.472 9.943 -6.897 348 HB2 PHE 62 HB1 PHE 62 -6.842 9.734 -8.845 349 HB3 PHE 62 HB2 PHE 62 -7.964 11.095 -8.897 350 HD1 PHE 62 HD1 PHE 62 -7.135 13.145 -9.489 351 HD2 PHE 62 HD2 PHE 62 -4.546 10.346 -7.596 352 HE1 PHE 62 HE1 PHE 62 -5.260 14.719 -9.734 353 HE2 PHE 62 HE2 PHE 62 -2.668 11.916 -7.837 354 HZ PHE 62 HZ PHE 62 -3.023 14.105 -8.906 355 H CYS 63 H CYS 63 -7.363 7.891 -7.133 356 HA CYS 63 HA CYS 63 -5.402 7.519 -5.028 357 HB2 CYS 63 HB1 CYS 63 -7.454 6.033 -5.451 358 HB3 CYS 63 HB2 CYS 63 -6.539 5.366 -6.803 359 H ALA 64 H ALA 64 -3.330 7.821 -5.496 360 HA ALA 64 HA ALA 64 -2.350 7.087 -8.169 361 HB1 ALA 64 HB1 ALA 64 -1.258 9.015 -8.117 362 HB2 ALA 64 HB2 ALA 64 -1.879 9.336 -6.497 363 HB3 ALA 64 HB3 ALA 64 -0.358 8.468 -6.703 364 H THR 65 H THR 65 -0.197 6.107 -8.300 365 HA THR 65 HA THR 65 0.164 4.136 -6.158 366 HB THR 65 HB THR 65 -0.132 3.101 -8.296 367 HG1 THR 65 HG1 THR 65 1.409 1.793 -7.695 368 HG21 THR 65 HG21 THR 65 0.417 4.202 -10.155 369 HG22 THR 65 HG22 THR 65 2.113 3.863 -9.808 370 HG23 THR 65 HG23 THR 65 1.376 5.359 -9.236 371 H CYS 66 H CYS 66 2.389 3.494 -5.614 372 HA CYS 66 HA CYS 66 3.926 5.591 -4.685 373 HB2 CYS 66 HB1 CYS 66 5.743 3.941 -4.385 374 HB3 CYS 66 HB2 CYS 66 4.184 3.341 -3.816 375 H ARG 67 H ARG 67 6.173 6.166 -5.287 376 HA ARG 67 HA ARG 67 6.292 6.740 -8.131 377 HB2 ARG 67 HB1 ARG 67 7.355 7.907 -5.687 378 HB3 ARG 67 HB2 ARG 67 8.590 7.769 -6.946 379 HG2 ARG 67 HG1 ARG 67 7.547 9.935 -7.084 380 HG3 ARG 67 HG2 ARG 67 7.110 8.971 -8.504 381 HD2 ARG 67 HD1 ARG 67 4.929 9.079 -8.024 382 HD3 ARG 67 HD2 ARG 67 5.221 8.581 -6.351 383 HE ARG 67 HE ARG 67 5.996 11.188 -6.397 384 HH11 ARG 67 HH11 ARG 67 3.089 9.492 -7.285 385 HH12 ARG 67 HH12 ARG 67 2.044 10.824 -6.916 386 HH21 ARG 67 HH21 ARG 67 4.631 12.948 -5.906 387 HH22 ARG 67 HH22 ARG 67 2.922 12.789 -6.132 388 H GLY 68 H GLY 68 8.411 6.529 -9.272 389 HA2 GLY 68 HA2 GLY 68 9.358 3.817 -8.983 390 HA3 GLY 68 HA3 GLY 68 9.823 4.960 -10.234 391 HA1 GLY 68 HA1 GLY 68 9.391 4.314 -8.255 392 H LEU 69 H LEU 69 11.815 3.497 -9.362 393 HA LEU 69 HA LEU 69 13.144 4.412 -7.039 394 HB2 LEU 69 HB1 LEU 69 14.215 3.057 -9.520 395 HB3 LEU 69 HB2 LEU 69 15.136 3.312 -8.028 396 HG LEU 69 HG LEU 69 12.712 1.551 -8.375 397 HD11 LEU 69 HD11 LEU 69 15.146 0.390 -7.304 398 HD12 LEU 69 HD12 LEU 69 15.370 1.051 -8.923 399 HD13 LEU 69 HD13 LEU 69 14.117 -0.156 -8.630 400 HD21 LEU 69 HD21 LEU 69 13.737 0.974 -5.923 401 HD22 LEU 69 HD22 LEU 69 12.347 2.021 -6.212 402 HD23 LEU 69 HD23 LEU 69 13.950 2.724 -5.990 403 H ARG 70 H ARG 70 12.949 5.612 -10.284 404 HA ARG 70 HA ARG 70 15.208 7.415 -9.903 405 HB2 ARG 70 HB1 ARG 70 13.353 7.015 -12.262 406 HB3 ARG 70 HB2 ARG 70 14.752 8.097 -12.241 407 HG2 ARG 70 HG1 ARG 70 15.804 5.666 -11.433 408 HG3 ARG 70 HG2 ARG 70 14.630 5.238 -12.688 409 HD2 ARG 70 HD1 ARG 70 15.743 6.407 -14.341 410 HD3 ARG 70 HD2 ARG 70 16.498 7.508 -13.180 411 HE ARG 70 HE ARG 70 17.624 5.121 -12.581 412 HH11 ARG 70 HH11 ARG 70 17.246 6.923 -15.535 413 HH12 ARG 70 HH12 ARG 70 18.700 6.309 -16.250 414 HH21 ARG 70 HH21 ARG 70 19.541 4.306 -13.510 415 HH22 ARG 70 HH22 ARG 70 20.004 4.820 -15.097 416 H ARG 71 H ARG 71 12.348 7.477 -8.633 417 HA ARG 71 HA ARG 71 11.733 10.273 -9.306 418 HB2 ARG 71 HB1 ARG 71 10.068 7.993 -8.287 419 HB3 ARG 71 HB2 ARG 71 9.558 9.663 -7.999 420 HG2 ARG 71 HG1 ARG 71 10.123 8.492 -10.724 421 HG3 ARG 71 HG2 ARG 71 8.517 8.648 -9.995 422 HD2 ARG 71 HD1 ARG 71 9.770 11.181 -9.774 423 HD3 ARG 71 HD2 ARG 71 10.037 10.600 -11.424 424 HE ARG 71 HE ARG 71 7.326 10.263 -10.619 425 HH11 ARG 71 HH11 ARG 71 9.633 12.610 -11.754 426 HH12 ARG 71 HH12 ARG 71 8.433 13.634 -12.471 427 HH21 ARG 71 HH21 ARG 71 5.737 11.603 -11.559 428 HH22 ARG 71 HH22 ARG 71 6.218 13.061 -12.359 429 H ARG 72 H ARG 72 11.294 11.764 -7.618 430 HA ARG 72 HA ARG 72 12.978 11.400 -5.323 431 HB2 ARG 72 HB1 ARG 72 11.102 13.650 -6.092 432 HB3 ARG 72 HB2 ARG 72 12.230 13.695 -4.728 433 HG2 ARG 72 HG1 ARG 72 13.562 12.981 -7.207 434 HG3 ARG 72 HG2 ARG 72 12.737 14.545 -7.304 435 HD2 ARG 72 HD1 ARG 72 13.890 14.822 -4.893 436 HD3 ARG 72 HD2 ARG 72 15.046 13.716 -5.649 437 HE ARG 72 HE ARG 72 14.648 15.694 -7.504 438 HH11 ARG 72 HH11 ARG 72 15.703 15.558 -4.189 439 HH12 ARG 72 HH12 ARG 72 16.723 16.953 -4.320 440 HH21 ARG 72 HH21 ARG 72 15.987 17.531 -7.688 441 HH22 ARG 72 HH22 ARG 72 16.883 18.075 -6.311 442 H CYS 73 H CYS 73 12.300 11.604 -3.115 443 HA CYS 73 HA CYS 73 9.472 11.049 -2.590 444 HB2 CYS 73 HB1 CYS 73 9.922 9.174 -1.191 445 HB3 CYS 73 HB2 CYS 73 10.754 8.886 -2.721 446 H GLN 74 H GLN 74 8.751 11.656 -0.532 447 HA GLN 74 HA GLN 74 10.608 13.418 0.921 448 HB2 GLN 74 HB1 GLN 74 7.670 13.569 0.360 449 HB3 GLN 74 HB2 GLN 74 8.312 14.333 1.821 450 HG2 GLN 74 HG1 GLN 74 9.355 15.986 0.689 451 HG3 GLN 74 HG2 GLN 74 9.733 14.942 -0.688 452 HE21 GLN 74 HE21 GLN 74 8.321 17.655 -0.176 453 HE22 GLN 74 HE22 GLN 74 6.932 17.561 -1.201 454 H ARG 75 H ARG 75 8.332 10.789 1.200 455 HA ARG 75 HA ARG 75 9.081 10.510 4.036 456 HB2 ARG 75 HB1 ARG 75 6.459 10.709 2.823 457 HB3 ARG 75 HB2 ARG 75 6.643 9.172 3.682 458 HG2 ARG 75 HG1 ARG 75 7.478 10.543 5.661 459 HG3 ARG 75 HG2 ARG 75 6.859 11.953 4.785 460 HD2 ARG 75 HD1 ARG 75 4.776 11.525 5.455 461 HD3 ARG 75 HD2 ARG 75 4.874 9.891 4.785 462 HE ARG 75 HE ARG 75 6.209 10.113 7.304 463 HH11 ARG 75 HH11 ARG 75 3.106 9.705 5.779 464 HH12 ARG 75 HH12 ARG 75 2.397 8.900 7.139 465 HH21 ARG 75 HH21 ARG 75 5.286 9.054 9.103 466 HH22 ARG 75 HH22 ARG 75 3.638 8.532 9.029 467 H ASP 76 H ASP 76 9.512 8.448 4.785 468 HA ASP 76 HA ASP 76 10.580 6.613 2.938 469 HB2 ASP 76 HB1 ASP 76 9.753 5.889 5.748 470 HB3 ASP 76 HB2 ASP 76 11.101 5.249 4.797 471 HD2 ASP 76 HD ASP 76 11.711 8.417 6.983 472 H ALA 77 H ALA 77 7.435 6.891 4.427 473 HA ALA 77 HA ALA 77 6.572 4.265 3.588 474 HB1 ALA 77 HB1 ALA 77 5.756 5.449 5.658 475 HB2 ALA 77 HB2 ALA 77 4.827 6.502 4.591 476 HB3 ALA 77 HB3 ALA 77 4.503 4.768 4.621 477 H MET 78 H MET 78 6.472 7.520 2.364 478 HA MET 78 HA MET 78 4.353 7.403 0.586 479 HB2 MET 78 HB1 MET 78 6.760 9.014 0.924 480 HB3 MET 78 HB2 MET 78 6.295 8.845 -0.775 481 HG2 MET 78 HG1 MET 78 3.928 9.502 0.028 482 HG3 MET 78 HG2 MET 78 4.761 10.076 1.475 483 HE1 MET 78 HE1 MET 78 4.944 11.707 -2.759 484 HE2 MET 78 HE2 MET 78 6.233 10.548 -2.431 485 HE3 MET 78 HE3 MET 78 4.546 10.068 -2.241 486 H CYS 79 H CYS 79 7.584 6.068 0.309 487 HA CYS 79 HA CYS 79 7.183 5.281 -2.452 488 HB2 CYS 79 HB1 CYS 79 9.409 5.981 -1.199 489 HB3 CYS 79 HB2 CYS 79 9.456 4.260 -0.802 490 H CYS 80 H CYS 80 7.178 3.111 -3.186 491 HA CYS 80 HA CYS 80 5.478 1.382 -1.833 492 HB2 CYS 80 HB1 CYS 80 7.205 1.251 -4.212 493 HB3 CYS 80 HB2 CYS 80 6.906 -0.315 -3.453 494 HA PRO 81 HA PRO 81 7.863 -0.843 1.100 495 HB2 PRO 81 HB1 PRO 81 6.886 -3.389 0.851 496 HB3 PRO 81 HB2 PRO 81 5.974 -2.064 1.570 497 HG2 PRO 81 HG1 PRO 81 5.867 -3.148 -1.224 498 HG3 PRO 81 HG2 PRO 81 4.512 -2.710 -0.119 499 HD2 PRO 81 HD1 PRO 81 5.337 -1.095 -2.140 500 HD3 PRO 81 HD2 PRO 81 4.712 -0.466 -0.605 501 H GLY 82 H GLY 82 9.828 -1.783 1.233 502 HA2 GLY 82 HA2 GLY 82 11.335 -3.578 0.563 503 HA3 GLY 82 HA3 GLY 82 10.752 -3.367 -1.081 504 HA1 GLY 82 HA1 GLY 82 11.311 -2.753 0.876 505 H THR 83 H THR 83 10.855 -0.351 -0.511 506 HA THR 83 HA THR 83 13.754 -0.064 -0.968 507 HB THR 83 HB THR 83 13.290 1.861 -2.375 508 HG1 THR 83 HG1 THR 83 10.526 1.285 -1.975 509 HG21 THR 83 HG21 THR 83 12.379 -0.817 -2.964 510 HG22 THR 83 HG22 THR 83 13.219 0.335 -4.002 511 HG23 THR 83 HG23 THR 83 11.461 0.379 -3.878 512 H LEU 84 H LEU 84 14.463 2.303 -0.561 513 HA LEU 84 HA LEU 84 13.130 3.384 1.822 514 HB2 LEU 84 HB1 LEU 84 15.390 1.912 2.032 515 HB3 LEU 84 HB2 LEU 84 16.075 3.527 1.784 516 HG LEU 84 HG LEU 84 14.494 4.218 3.731 517 HD11 LEU 84 HD11 LEU 84 14.484 1.236 3.878 518 HD12 LEU 84 HD12 LEU 84 13.167 2.378 4.137 519 HD13 LEU 84 HD13 LEU 84 14.426 2.194 5.358 520 HD21 LEU 84 HD21 LEU 84 16.261 3.382 5.370 521 HD22 LEU 84 HD22 LEU 84 16.810 4.402 4.040 522 HD23 LEU 84 HD23 LEU 84 17.047 2.655 3.969 523 H CYS 85 H CYS 85 13.800 5.619 2.323 524 HA CYS 85 HA CYS 85 14.004 7.155 -0.131 525 HB2 CYS 85 HB1 CYS 85 13.125 7.653 2.652 526 HB3 CYS 85 HB2 CYS 85 13.872 9.026 1.831 527 H VAL 86 H VAL 86 16.028 7.331 -0.892 528 HA VAL 86 HA VAL 86 18.135 8.172 0.992 529 HB VAL 86 HB VAL 86 18.471 6.679 -1.614 530 HG11 VAL 86 HG11 VAL 86 20.548 7.479 -1.573 531 HG12 VAL 86 HG12 VAL 86 20.311 8.198 0.021 532 HG13 VAL 86 HG13 VAL 86 20.810 6.512 -0.122 533 HG21 VAL 86 HG21 VAL 86 17.528 5.256 0.111 534 HG22 VAL 86 HG22 VAL 86 19.208 4.812 -0.188 535 HG23 VAL 86 HG23 VAL 86 18.787 5.755 1.242 536 H ASN 87 H ASN 87 18.886 10.163 0.731 537 HA ASN 87 HA ASN 87 19.233 12.242 -0.131 538 HB2 ASN 87 HB1 ASN 87 19.641 10.714 -2.717 539 HB3 ASN 87 HB2 ASN 87 20.250 12.331 -2.343 540 HD21 ASN 87 HD21 ASN 87 21.386 12.240 -0.011 541 HD22 ASN 87 HD22 ASN 87 22.637 11.051 0.076 542 H ASP 88 H ASP 88 16.552 11.582 0.062 543 HA ASP 88 HA ASP 88 14.489 12.276 -0.600 544 HB2 ASP 88 HB1 ASP 88 16.282 14.339 -1.290 545 HB3 ASP 88 HB2 ASP 88 15.208 14.141 -2.681 546 HD2 ASP 88 HD ASP 88 13.280 14.969 0.687 547 H VAL 89 H VAL 89 15.935 10.133 -2.061 548 HA VAL 89 HA VAL 89 14.196 10.093 -4.424 549 HB VAL 89 HB VAL 89 17.117 9.318 -4.456 550 HG11 VAL 89 HG11 VAL 89 16.707 8.952 -6.888 551 HG12 VAL 89 HG12 VAL 89 15.876 7.802 -5.839 552 HG13 VAL 89 HG13 VAL 89 14.981 9.131 -6.575 553 HG21 VAL 89 HG21 VAL 89 15.623 11.722 -5.339 554 HG22 VAL 89 HG22 VAL 89 17.264 11.574 -4.710 555 HG23 VAL 89 HG23 VAL 89 16.919 11.140 -6.384 556 H CYS 90 H CYS 90 13.338 8.120 -4.924 557 HA CYS 90 HA CYS 90 13.265 6.154 -2.888 558 HB2 CYS 90 HB1 CYS 90 12.173 6.394 -5.663 559 HB3 CYS 90 HB2 CYS 90 12.159 4.812 -4.884 560 H THR 91 H THR 91 15.022 4.990 -2.413 561 HA THR 91 HA THR 91 16.428 3.656 -4.634 562 HB THR 91 HB THR 91 17.643 4.595 -2.028 563 HG1 THR 91 HG1 THR 91 17.976 5.521 -4.706 564 HG21 THR 91 HG21 THR 91 18.493 2.643 -3.985 565 HG22 THR 91 HG22 THR 91 19.210 3.056 -2.427 566 HG23 THR 91 HG23 THR 91 19.644 3.974 -3.869 567 H THR 92 H THR 92 16.348 1.512 -4.587 568 HA THR 92 HA THR 92 14.941 0.028 -2.715 569 HB THR 92 HB THR 92 16.947 -1.666 -3.830 570 HG1 THR 92 HG1 THR 92 17.000 -1.040 -5.927 571 HG21 THR 92 HG21 THR 92 14.265 -1.383 -5.086 572 HG22 THR 92 HG22 THR 92 14.336 -1.848 -3.386 573 HG23 THR 92 HG23 THR 92 15.141 -2.837 -4.605 574 H MET 93 H MET 93 15.638 -1.528 -1.146 575 HA MET 93 HA MET 93 17.518 -0.534 0.687 576 HB2 MET 93 HB1 MET 93 15.684 -2.763 0.505 577 HB3 MET 93 HB2 MET 93 17.218 -3.272 1.229 578 HG2 MET 93 HG1 MET 93 16.896 -1.097 2.679 579 HG3 MET 93 HG2 MET 93 15.204 -1.329 2.232 580 HE1 MET 93 HE1 MET 93 14.038 -1.774 4.123 581 HE2 MET 93 HE2 MET 93 14.288 -3.033 5.333 582 HE3 MET 93 HE3 MET 93 15.274 -1.571 5.364 583 H GLU 94 H GLU 94 17.727 -3.186 -1.660 584 HA GLU 94 HA GLU 94 20.350 -3.985 -0.942 585 HB2 GLU 94 HB1 GLU 94 18.858 -4.364 -3.551 586 HB3 GLU 94 HB2 GLU 94 20.332 -5.222 -3.073 587 HG2 GLU 94 HG1 GLU 94 17.962 -5.359 -1.272 588 HG3 GLU 94 HG2 GLU 94 17.957 -6.303 -2.770 589 HE2 GLU 94 HE GLU 94 20.490 -8.411 -1.597 590 H ASP 95 H ASP 95 19.086 -1.487 -2.984 591 HA ASP 95 HA ASP 95 21.558 -1.036 -4.399 592 HB2 ASP 95 HB1 ASP 95 18.817 0.033 -4.453 593 HB3 ASP 95 HB2 ASP 95 20.069 1.242 -4.766 594 HD2 ASP 95 HD ASP 95 20.215 -1.772 -7.330 595 H ALA 96 H ALA 96 19.969 0.200 -1.547 596 HA ALA 96 HA ALA 96 21.347 2.592 -1.180 597 HB1 ALA 96 HB1 ALA 96 19.397 1.854 0.151 598 HB2 ALA 96 HB2 ALA 96 20.440 0.705 0.990 599 HB3 ALA 96 HB3 ALA 96 20.733 2.437 1.143 600 H THR 97 H THR 97 22.262 -0.716 -0.356 601 HA THR 97 HA THR 97 25.026 -0.176 -0.470 602 HB THR 97 HB THR 97 24.748 0.975 1.634 603 HG1 THR 97 HG1 THR 97 25.780 -1.560 2.358 604 HG21 THR 97 HG21 THR 97 23.242 0.375 3.164 605 HG22 THR 97 HG22 THR 97 23.997 -1.209 3.344 606 HG23 THR 97 HG23 THR 97 22.761 -0.955 2.113 607 H GLU 98 H GLU 98 25.910 -2.036 -1.072 608 HA GLU 98 HA GLU 98 24.614 -4.541 -0.222 609 HB2 GLU 98 HB1 GLU 98 24.671 -3.900 -2.704 610 HB3 GLU 98 HB2 GLU 98 26.406 -4.242 -2.623 611 HG2 GLU 98 HG1 GLU 98 25.313 -6.484 -1.478 612 HG3 GLU 98 HG2 GLU 98 24.142 -6.071 -2.739 613 HE2 GLU 98 HE GLU 98 27.327 -7.879 -3.862 614 H ASN 99 H ASN 99 26.387 -3.383 1.532 615 HA ASN 99 HA ASN 99 28.210 -3.849 2.808 616 HB2 ASN 99 HB1 ASN 99 27.213 -6.285 2.009 617 HB3 ASN 99 HB2 ASN 99 28.905 -6.388 1.505 618 HD21 ASN 99 HD21 ASN 99 27.490 -7.826 3.613 619 HD22 ASN 99 HD22 ASN 99 28.358 -7.507 5.072 620 H LEU 100 H LEU 100 29.651 -2.324 2.138 621 HA LEU 100 HA LEU 100 31.687 -3.230 0.229 622 HB2 LEU 100 HB1 LEU 100 30.251 -0.580 0.244 623 HB3 LEU 100 HB2 LEU 100 31.818 -0.814 -0.550 624 HG LEU 100 HG LEU 100 30.413 -2.808 -1.699 625 HD11 LEU 100 HD11 LEU 100 28.281 -2.527 -0.930 626 HD12 LEU 100 HD12 LEU 100 28.232 -1.481 -2.348 627 HD13 LEU 100 HD13 LEU 100 28.457 -0.782 -0.744 628 HD21 LEU 100 HD21 LEU 100 29.830 -0.561 -3.261 629 HD22 LEU 100 HD22 LEU 100 31.230 -1.626 -3.392 630 HD23 LEU 100 HD23 LEU 100 31.318 -0.170 -2.399 631 H TYR 101 H TYR 101 33.776 -2.569 0.662 632 HA TYR 101 HA TYR 101 34.484 -2.124 3.319 633 HB2 TYR 101 HB1 TYR 101 35.828 -2.412 0.786 634 HB3 TYR 101 HB2 TYR 101 36.584 -1.118 1.718 635 HD1 TYR 101 HD1 TYR 101 38.404 -1.751 2.972 636 HD2 TYR 101 HD2 TYR 101 35.220 -4.526 2.456 637 HE1 TYR 101 HE1 TYR 101 39.629 -3.398 4.325 638 HE2 TYR 101 HE2 TYR 101 36.437 -6.182 3.807 639 HH TYR 101 HH TYR 101 39.513 -6.178 4.387 640 H PHE 102 H PHE 102 35.759 -0.255 4.152 641 HA PHE 102 HA PHE 102 35.280 2.329 2.979 642 HB2 PHE 102 HB1 PHE 102 33.972 3.255 4.810 643 HB3 PHE 102 HB2 PHE 102 33.118 1.892 4.086 644 HD1 PHE 102 HD1 PHE 102 34.497 3.242 7.101 645 HD2 PHE 102 HD2 PHE 102 33.201 -0.355 5.230 646 HE1 PHE 102 HE1 PHE 102 34.307 2.167 9.306 647 HE2 PHE 102 HE2 PHE 102 33.009 -1.435 7.432 648 HZ PHE 102 HZ PHE 102 33.560 -0.173 9.474 649 H GLN 103 H GLN 103 37.524 0.673 3.883 650 HA GLN 103 HA GLN 103 39.087 2.676 5.092 651 HB2 GLN 103 HB1 GLN 103 39.567 1.476 7.250 652 HB3 GLN 103 HB2 GLN 103 37.959 2.210 7.140 653 HG2 GLN 103 HG1 GLN 103 36.936 0.263 7.433 654 HG3 GLN 103 HG2 GLN 103 37.932 -0.518 6.197 655 HE21 GLN 103 HE21 GLN 103 37.015 -1.009 9.150 656 HE22 GLN 103 HE22 GLN 103 38.444 -1.651 9.875 657 H SER 104 H SER 104 41.144 2.310 4.554 658 HA SER 104 HA SER 104 42.420 -0.205 4.642 659 HB2 SER 104 HB1 SER 104 40.963 -0.613 2.661 660 HB3 SER 104 HB2 SER 104 41.742 0.758 1.853 661 HG SER 104 HG SER 104 43.538 -0.377 1.590 662 H LEU 105 H LEU 105 43.255 2.034 5.733 663 HA LEU 105 HA LEU 105 45.636 2.694 4.184 664 HB2 LEU 105 HB1 LEU 105 43.451 4.554 4.836 665 HB3 LEU 105 HB2 LEU 105 45.071 5.130 5.268 666 HG LEU 105 HG LEU 105 44.743 4.061 2.527 667 HD11 LEU 105 HD11 LEU 105 43.547 6.688 3.399 668 HD12 LEU 105 HD12 LEU 105 42.678 5.300 2.745 669 HD13 LEU 105 HD13 LEU 105 43.807 6.191 1.726 670 HD21 LEU 105 HD21 LEU 105 46.750 5.273 3.814 671 HD22 LEU 105 HD22 LEU 105 45.945 6.692 3.142 672 HD23 LEU 105 HD23 LEU 105 46.506 5.406 2.072 673 H GLU 106 H GLU 106 47.164 1.958 5.518 674 HA GLU 106 HA GLU 106 47.451 3.171 8.123 675 HB2 GLU 106 HB1 GLU 106 46.253 0.590 7.869 676 HB3 GLU 106 HB2 GLU 106 47.851 0.396 8.605 677 HG2 GLU 106 HG1 GLU 106 47.277 1.467 10.516 678 HG3 GLU 106 HG2 GLU 106 46.153 2.554 9.689 679 HE2 GLU 106 HE GLU 106 43.600 0.070 9.847 680 H HIS 107 H HIS 107 49.459 3.914 7.856 681 HA HIS 107 HA HIS 107 51.672 2.159 7.804 682 HB2 HIS 107 HB1 HIS 107 50.692 2.405 5.311 683 HB3 HIS 107 HB2 HIS 107 51.748 3.822 5.344 684 HD1 HIS 107 HD1 HIS 107 53.544 2.952 3.791 685 HD2 HIS 107 HD2 HIS 107 52.800 0.413 6.993 686 HE1 HIS 107 HE1 HIS 107 55.377 1.232 3.725 687 HE2 HIS 107 HE2 HIS 107 54.922 -0.321 5.682 688 H HIS 108 H HIS 108 53.588 3.198 8.319 689 HA HIS 108 HA HIS 108 53.520 6.128 8.483 690 HB2 HIS 108 HB1 HIS 108 54.626 5.961 10.736 691 HB3 HIS 108 HB2 HIS 108 52.937 5.445 10.699 692 HD1 HIS 108 HD1 HIS 108 52.453 2.888 10.938 693 HD2 HIS 108 HD2 HIS 108 56.442 3.953 11.407 694 HE1 HIS 108 HE1 HIS 108 53.569 0.881 11.964 695 HE2 HIS 108 HE2 HIS 108 56.006 1.532 12.252 696 H HIS 109 H HIS 109 54.803 4.987 6.456 697 HA HIS 109 HA HIS 109 56.802 4.834 5.380 698 HB2 HIS 109 HB1 HIS 109 57.886 6.351 7.766 699 HB3 HIS 109 HB2 HIS 109 58.615 6.248 6.160 700 HD1 HIS 109 HD1 HIS 109 56.294 6.914 4.344 701 HD2 HIS 109 HD2 HIS 109 57.046 8.936 7.895 702 HE1 HIS 109 HE1 HIS 109 55.177 9.154 4.092 703 HE2 HIS 109 HE2 HIS 109 55.637 10.391 6.262 704 H HIS 110 H HIS 110 59.332 4.350 5.984 705 HA HIS 110 HA HIS 110 59.235 1.703 7.120 706 HB2 HIS 110 HB1 HIS 110 61.606 1.571 6.461 707 HB3 HIS 110 HB2 HIS 110 60.574 2.093 5.125 708 HD1 HIS 110 HD1 HIS 110 63.068 3.502 7.588 709 HD2 HIS 110 HD2 HIS 110 61.200 4.528 4.022 710 HE1 HIS 110 HE1 HIS 110 64.219 5.596 6.804 711 HE2 HIS 110 HE2 HIS 110 63.079 6.223 4.623 712 H HIS 111 H HIS 111 61.257 1.107 8.534 713 HA HIS 111 HA HIS 111 62.086 3.114 10.416 714 HB2 HIS 111 HB1 HIS 111 59.652 1.945 10.955 715 HB3 HIS 111 HB2 HIS 111 60.771 0.939 11.883 716 HD1 HIS 111 HD1 HIS 111 61.541 1.829 14.082 717 HD2 HIS 111 HD2 HIS 111 59.855 4.781 11.692 718 HE1 HIS 111 HE1 HIS 111 61.404 3.875 15.537 719 HE2 HIS 111 HE2 HIS 111 60.374 5.681 14.078 720 H HIS 112 H HIS 112 64.165 2.627 10.606 721 HA HIS 112 HA HIS 112 64.985 -0.189 10.597 722 HB2 HIS 112 HB1 HIS 112 65.981 1.956 9.209 723 HB3 HIS 112 HB2 HIS 112 67.090 1.866 10.582 724 HD1 HIS 112 HD1 HIS 112 66.015 -0.052 7.552 725 HD2 HIS 112 HD2 HIS 112 68.794 -0.346 10.627 726 HE1 HIS 112 HE1 HIS 112 67.584 -1.894 6.867 727 HE2 HIS 112 HE2 HIS 112 69.282 -2.074 8.746 Start of MODEL 64 1 H1 MET 18 H MET 18 -35.335 8.369 47.676 2 HA MET 18 HA MET 18 -34.686 6.835 46.069 3 HB2 MET 18 HB1 MET 18 -37.086 5.363 47.138 4 HB3 MET 18 HB2 MET 18 -36.278 4.842 45.651 5 HG2 MET 18 HG1 MET 18 -34.133 4.719 46.959 6 HG3 MET 18 HG2 MET 18 -35.100 4.994 48.410 7 HE1 MET 18 HE1 MET 18 -35.081 1.557 49.478 8 HE2 MET 18 HE2 MET 18 -33.577 2.059 48.705 9 HE3 MET 18 HE3 MET 18 -34.518 3.220 49.644 10 H LEU 19 H LEU 19 -34.965 8.444 44.537 11 HA LEU 19 HA LEU 19 -37.600 8.635 43.257 12 HB2 LEU 19 HB1 LEU 19 -36.593 10.652 42.127 13 HB3 LEU 19 HB2 LEU 19 -36.814 10.766 43.881 14 HG LEU 19 HG LEU 19 -34.152 9.845 43.054 15 HD11 LEU 19 HD11 LEU 19 -34.985 12.683 42.485 16 HD12 LEU 19 HD12 LEU 19 -34.664 11.459 41.259 17 HD13 LEU 19 HD13 LEU 19 -33.367 12.002 42.323 18 HD21 LEU 19 HD21 LEU 19 -34.868 10.416 45.373 19 HD22 LEU 19 HD22 LEU 19 -35.028 12.095 44.857 20 HD23 LEU 19 HD23 LEU 19 -33.451 11.306 44.814 21 H VAL 20 H VAL 20 -37.937 7.980 41.210 22 HA VAL 20 HA VAL 20 -35.788 6.535 39.886 23 HB VAL 20 HB VAL 20 -37.563 5.817 38.297 24 HG11 VAL 20 HG11 VAL 20 -36.992 4.769 40.634 25 HG12 VAL 20 HG12 VAL 20 -38.631 5.291 41.030 26 HG13 VAL 20 HG13 VAL 20 -38.359 4.176 39.690 27 HG21 VAL 20 HG21 VAL 20 -39.854 6.365 38.656 28 HG22 VAL 20 HG22 VAL 20 -39.478 7.220 40.153 29 HG23 VAL 20 HG23 VAL 20 -38.956 7.882 38.605 30 H LEU 21 H LEU 21 -34.943 7.020 37.894 31 HA LEU 21 HA LEU 21 -34.998 9.763 37.105 32 HB2 LEU 21 HB1 LEU 21 -33.280 7.603 36.761 33 HB3 LEU 21 HB2 LEU 21 -33.885 7.952 35.132 34 HG LEU 21 HG LEU 21 -31.799 9.105 35.494 35 HD11 LEU 21 HD11 LEU 21 -32.501 10.892 34.368 36 HD12 LEU 21 HD12 LEU 21 -33.470 11.467 35.724 37 HD13 LEU 21 HD13 LEU 21 -34.136 10.273 34.610 38 HD21 LEU 21 HD21 LEU 21 -31.829 9.233 37.918 39 HD22 LEU 21 HD22 LEU 21 -33.166 10.382 37.861 40 HD23 LEU 21 HD23 LEU 21 -31.584 10.836 37.224 41 H ASP 22 H ASP 22 -36.111 10.745 35.520 42 HA ASP 22 HA ASP 22 -37.156 9.539 33.225 43 HB2 ASP 22 HB1 ASP 22 -38.685 8.952 35.520 44 HB3 ASP 22 HB2 ASP 22 -39.593 10.179 34.627 45 HD2 ASP 22 HD ASP 22 -39.142 6.613 32.960 46 H PHE 23 H PHE 23 -38.338 11.007 31.897 47 HA PHE 23 HA PHE 23 -38.938 13.654 32.832 48 HB2 PHE 23 HB1 PHE 23 -36.334 13.080 31.680 49 HB3 PHE 23 HB2 PHE 23 -37.215 14.263 30.712 50 HD1 PHE 23 HD1 PHE 23 -38.451 16.129 32.186 51 HD2 PHE 23 HD2 PHE 23 -35.000 13.927 33.351 52 HE1 PHE 23 HE1 PHE 23 -37.852 17.913 33.772 53 HE2 PHE 23 HE2 PHE 23 -34.396 15.706 34.940 54 HZ PHE 23 HZ PHE 23 -35.823 17.702 35.151 55 H ASN 24 H ASN 24 -38.086 11.918 29.833 56 HA ASN 24 HA ASN 24 -40.759 12.467 28.798 57 HB2 ASN 24 HB1 ASN 24 -38.193 13.487 27.629 58 HB3 ASN 24 HB2 ASN 24 -39.518 13.042 26.548 59 HD21 ASN 24 HD21 ASN 24 -38.253 15.424 28.575 60 HD22 ASN 24 HD22 ASN 24 -39.587 16.521 28.529 61 H ASN 25 H ASN 25 -37.607 11.132 27.787 62 HA ASN 25 HA ASN 25 -37.048 9.191 26.735 63 HB2 ASN 25 HB1 ASN 25 -39.429 8.178 28.315 64 HB3 ASN 25 HB2 ASN 25 -38.222 7.152 27.530 65 HD21 ASN 25 HD21 ASN 25 -35.881 8.333 28.094 66 HD22 ASN 25 HD22 ASN 25 -35.603 8.357 29.799 67 H ILE 26 H ILE 26 -37.644 10.123 24.680 68 HA ILE 26 HA ILE 26 -39.874 8.667 23.448 69 HB ILE 26 HB ILE 26 -40.499 10.628 22.120 70 HG12 ILE 26 HG11 ILE 26 -39.546 12.832 23.422 71 HG13 ILE 26 HG12 ILE 26 -38.137 11.759 23.471 72 HG21 ILE 26 HG21 ILE 26 -41.490 11.978 23.997 73 HG22 ILE 26 HG22 ILE 26 -41.810 10.246 24.060 74 HG23 ILE 26 HG23 ILE 26 -40.583 10.954 25.110 75 HD11 ILE 26 HD11 ILE 26 -39.425 11.888 20.854 76 HD12 ILE 26 HD12 ILE 26 -38.748 13.419 21.413 77 HD13 ILE 26 HD13 ILE 26 -37.720 11.991 21.293 78 H ARG 27 H ARG 27 -39.740 9.053 20.941 79 HA ARG 27 HA ARG 27 -36.985 9.221 20.004 80 HB2 ARG 27 HB1 ARG 27 -38.589 6.740 20.147 81 HB3 ARG 27 HB2 ARG 27 -37.766 7.032 18.608 82 HG2 ARG 27 HG1 ARG 27 -35.849 7.572 20.575 83 HG3 ARG 27 HG2 ARG 27 -36.688 6.103 21.103 84 HD2 ARG 27 HD1 ARG 27 -36.214 4.986 19.035 85 HD3 ARG 27 HD2 ARG 27 -35.596 6.483 18.323 86 HE ARG 27 HE ARG 27 -33.592 6.136 19.389 87 HH11 ARG 27 HH11 ARG 27 -36.001 4.003 20.715 88 HH12 ARG 27 HH12 ARG 27 -34.863 3.079 21.639 89 HH21 ARG 27 HH21 ARG 27 -32.083 4.927 20.599 90 HH22 ARG 27 HH22 ARG 27 -32.635 3.606 21.572 91 H SER 28 H SER 28 -37.261 10.856 18.605 92 HA SER 28 HA SER 28 -39.132 10.436 16.391 93 HB2 SER 28 HB1 SER 28 -40.286 12.390 16.650 94 HB3 SER 28 HB2 SER 28 -39.857 12.130 18.351 95 HG SER 28 HG SER 28 -39.340 14.251 17.634 96 H SER 29 H SER 29 -38.185 10.739 14.485 97 HA SER 29 HA SER 29 -35.940 12.605 14.263 98 HB2 SER 29 HB1 SER 29 -35.881 9.672 13.527 99 HB3 SER 29 HB2 SER 29 -34.750 10.849 12.837 100 HG SER 29 HG SER 29 -33.629 10.581 14.583 101 H ALA 30 H ALA 30 -35.925 13.737 12.405 102 HA ALA 30 HA ALA 30 -37.282 12.769 10.040 103 HB1 ALA 30 HB1 ALA 30 -38.329 15.378 10.411 104 HB2 ALA 30 HB2 ALA 30 -39.201 13.849 10.298 105 HB3 ALA 30 HB3 ALA 30 -38.664 14.443 11.869 106 H ASP 31 H ASP 31 -37.335 14.796 8.405 107 HA ASP 31 HA ASP 31 -36.073 16.129 7.062 108 HB2 ASP 31 HB1 ASP 31 -35.281 16.959 9.818 109 HB3 ASP 31 HB2 ASP 31 -34.307 17.548 8.464 110 HD2 ASP 31 HD ASP 31 -37.001 19.453 7.229 111 H LEU 32 H LEU 32 -34.962 14.653 5.855 112 HA LEU 32 HA LEU 32 -32.317 13.832 6.857 113 HB2 LEU 32 HB1 LEU 32 -34.013 12.530 4.718 114 HB3 LEU 32 HB2 LEU 32 -32.445 11.956 5.313 115 HG LEU 32 HG LEU 32 -33.930 12.043 7.612 116 HD11 LEU 32 HD11 LEU 32 -35.734 11.153 5.368 117 HD12 LEU 32 HD12 LEU 32 -35.979 12.544 6.422 118 HD13 LEU 32 HD13 LEU 32 -36.047 10.912 7.086 119 HD21 LEU 32 HD21 LEU 32 -33.919 9.642 7.481 120 HD22 LEU 32 HD22 LEU 32 -32.414 10.260 6.800 121 HD23 LEU 32 HD23 LEU 32 -33.700 9.698 5.731 122 H HIS 33 H HIS 33 -30.521 14.296 5.695 123 HA HIS 33 HA HIS 33 -30.818 15.403 3.003 124 HB2 HIS 33 HB1 HIS 33 -29.420 17.316 3.485 125 HB3 HIS 33 HB2 HIS 33 -30.798 17.312 4.590 126 HD1 HIS 33 HD1 HIS 33 -30.274 16.397 7.076 127 HD2 HIS 33 HD2 HIS 33 -26.987 17.401 4.741 128 HE1 HIS 33 HE1 HIS 33 -28.357 16.643 8.684 129 HE2 HIS 33 HE2 HIS 33 -26.347 17.254 7.258 130 H GLY 34 H GLY 34 -28.865 15.376 1.748 131 HA2 GLY 34 HA2 GLY 34 -26.460 14.220 2.774 132 HA3 GLY 34 HA3 GLY 34 -27.405 13.048 1.869 133 HA1 GLY 34 HA1 GLY 34 -26.742 14.986 2.437 134 H ALA 35 H ALA 35 -25.533 15.985 1.691 135 HA ALA 35 HA ALA 35 -25.830 16.156 -1.197 136 HB1 ALA 35 HB1 ALA 35 -25.364 18.305 -0.903 137 HB2 ALA 35 HB2 ALA 35 -25.277 18.007 0.834 138 HB3 ALA 35 HB3 ALA 35 -23.817 17.912 -0.152 139 H ARG 36 H ARG 36 -23.895 16.303 -2.578 140 HA ARG 36 HA ARG 36 -21.509 14.965 -1.590 141 HB2 ARG 36 HB1 ARG 36 -23.424 13.388 -2.672 142 HB3 ARG 36 HB2 ARG 36 -22.523 13.837 -4.127 143 HG2 ARG 36 HG1 ARG 36 -20.582 12.785 -3.431 144 HG3 ARG 36 HG2 ARG 36 -21.067 12.820 -1.728 145 HD2 ARG 36 HD1 ARG 36 -22.553 11.033 -1.971 146 HD3 ARG 36 HD2 ARG 36 -22.641 11.242 -3.726 147 HE ARG 36 HE ARG 36 -20.057 10.582 -3.353 148 HH11 ARG 36 HH11 ARG 36 -23.040 9.162 -2.252 149 HH12 ARG 36 HH12 ARG 36 -22.409 7.549 -2.212 150 HH21 ARG 36 HH21 ARG 36 -19.216 8.462 -3.305 151 HH22 ARG 36 HH22 ARG 36 -20.233 7.151 -2.810 152 H LYS 37 H LYS 37 -19.728 15.806 -2.474 153 HA LYS 37 HA LYS 37 -20.058 17.572 -4.802 154 HB2 LYS 37 HB1 LYS 37 -18.021 17.510 -2.573 155 HB3 LYS 37 HB2 LYS 37 -17.818 18.498 -4.028 156 HG2 LYS 37 HG1 LYS 37 -18.932 20.116 -3.002 157 HG3 LYS 37 HG2 LYS 37 -20.378 19.097 -3.116 158 HD2 LYS 37 HD1 LYS 37 -18.515 18.493 -0.888 159 HD3 LYS 37 HD2 LYS 37 -19.408 20.020 -0.789 160 HE2 LYS 37 HE1 LYS 37 -21.507 18.645 -1.303 161 HE3 LYS 37 HE2 LYS 37 -20.506 17.228 -0.955 162 HZ1 LYS 37 HZ1 LYS 37 -20.381 19.312 1.046 163 HZ2 LYS 37 HZ2 LYS 37 -20.534 17.638 1.233 164 HZ3 LYS 37 HZ3 LYS 37 -21.897 18.579 0.890 165 H GLY 38 H GLY 38 -17.388 15.641 -3.422 166 HA2 GLY 38 HA2 GLY 38 -17.044 13.758 -5.355 167 HA3 GLY 38 HA3 GLY 38 -16.282 15.184 -6.043 168 HA1 GLY 38 HA1 GLY 38 -17.003 13.925 -4.490 169 H SER 39 H SER 39 -15.621 12.432 -4.466 170 HA SER 39 HA SER 39 -13.017 13.355 -3.653 171 HB2 SER 39 HB1 SER 39 -13.178 13.245 -1.391 172 HB3 SER 39 HB2 SER 39 -14.897 13.546 -1.702 173 HG SER 39 HG SER 39 -14.010 11.550 -0.405 174 H GLN 40 H GLN 40 -11.575 11.817 -4.083 175 HA GLN 40 HA GLN 40 -12.499 9.201 -4.892 176 HB2 GLN 40 HB1 GLN 40 -9.796 10.546 -4.896 177 HB3 GLN 40 HB2 GLN 40 -10.020 8.855 -5.369 178 HG2 GLN 40 HG1 GLN 40 -11.303 11.250 -6.684 179 HG3 GLN 40 HG2 GLN 40 -9.942 10.309 -7.312 180 HE21 GLN 40 HE21 GLN 40 -12.593 10.813 -8.453 181 HE22 GLN 40 HE22 GLN 40 -13.283 9.256 -8.746 182 H CYS 41 H CYS 41 -10.157 10.447 -2.512 183 HA CYS 41 HA CYS 41 -10.869 8.310 -0.685 184 HB2 CYS 41 HB1 CYS 41 -8.464 7.663 -0.358 185 HB3 CYS 41 HB2 CYS 41 -9.156 7.169 -1.903 186 H LEU 42 H LEU 42 -10.111 8.663 1.467 187 HA LEU 42 HA LEU 42 -9.427 11.480 1.970 188 HB2 LEU 42 HB1 LEU 42 -11.086 9.460 3.392 189 HB3 LEU 42 HB2 LEU 42 -10.214 10.651 4.373 190 HG LEU 42 HG LEU 42 -11.681 11.892 2.193 191 HD11 LEU 42 HD11 LEU 42 -13.444 10.477 2.283 192 HD12 LEU 42 HD12 LEU 42 -13.854 11.463 3.686 193 HD13 LEU 42 HD13 LEU 42 -13.051 9.909 3.906 194 HD21 LEU 42 HD21 LEU 42 -10.650 12.891 4.314 195 HD22 LEU 42 HD22 LEU 42 -12.076 12.266 5.143 196 HD23 LEU 42 HD23 LEU 42 -12.257 13.443 3.842 197 H SER 43 H SER 43 -8.412 8.204 2.455 198 HA SER 43 HA SER 43 -5.943 9.183 3.688 199 HB2 SER 43 HB1 SER 43 -7.943 7.435 4.945 200 HB3 SER 43 HB2 SER 43 -6.298 6.773 4.973 201 HG SER 43 HG SER 43 -5.994 8.073 6.588 202 H ASP 44 H ASP 44 -4.212 7.496 3.661 203 HA ASP 44 HA ASP 44 -3.909 6.458 1.057 204 HB2 ASP 44 HB1 ASP 44 -2.337 5.622 3.503 205 HB3 ASP 44 HB2 ASP 44 -1.811 5.574 1.816 206 HD2 ASP 44 HD ASP 44 -1.736 9.067 3.688 207 H THR 45 H THR 45 -5.032 5.054 4.055 208 HA THR 45 HA THR 45 -4.869 2.335 3.271 209 HB THR 45 HB THR 45 -7.028 2.646 5.093 210 HG1 THR 45 HG1 THR 45 -6.074 3.974 6.657 211 HG21 THR 45 HG21 THR 45 -5.327 1.683 6.690 212 HG22 THR 45 HG22 THR 45 -4.146 1.810 5.385 213 HG23 THR 45 HG23 THR 45 -5.560 0.775 5.197 214 H ASP 46 H ASP 46 -7.150 4.864 2.640 215 HA ASP 46 HA ASP 46 -9.362 3.212 1.948 216 HB2 ASP 46 HB1 ASP 46 -8.863 5.977 2.208 217 HB3 ASP 46 HB2 ASP 46 -9.378 5.726 0.535 218 HD2 ASP 46 HD ASP 46 -12.606 4.899 1.480 219 H CYS 47 H CYS 47 -6.544 4.348 0.252 220 HA CYS 47 HA CYS 47 -7.486 3.864 -2.385 221 HB2 CYS 47 HB1 CYS 47 -4.937 4.570 -1.092 222 HB3 CYS 47 HB2 CYS 47 -4.761 3.618 -2.567 223 H ASN 48 H ASN 48 -6.538 2.212 -3.846 224 HA ASN 48 HA ASN 48 -7.082 -0.376 -2.944 225 HB2 ASN 48 HB1 ASN 48 -6.612 0.824 -5.396 226 HB3 ASN 48 HB2 ASN 48 -5.246 -0.285 -5.218 227 HD21 ASN 48 HD21 ASN 48 -5.932 -1.665 -6.819 228 HD22 ASN 48 HD22 ASN 48 -7.306 -2.696 -6.641 229 H THR 49 H THR 49 -5.374 -2.207 -3.353 230 HA THR 49 HA THR 49 -3.464 -2.026 -1.296 231 HB THR 49 HB THR 49 -3.094 -4.034 -3.472 232 HG1 THR 49 HG1 THR 49 -4.933 -5.108 -2.932 233 HG21 THR 49 HG21 THR 49 -1.959 -5.081 -1.866 234 HG22 THR 49 HG22 THR 49 -3.372 -5.065 -0.811 235 HG23 THR 49 HG23 THR 49 -2.252 -3.704 -0.804 236 H ARG 50 H ARG 50 -1.286 -1.672 -1.287 237 HA ARG 50 HA ARG 50 0.716 -0.814 -1.942 238 HB2 ARG 50 HB1 ARG 50 0.057 -1.907 -4.681 239 HB3 ARG 50 HB2 ARG 50 1.660 -1.611 -3.992 240 HG2 ARG 50 HG1 ARG 50 1.250 -3.382 -2.319 241 HG3 ARG 50 HG2 ARG 50 -0.305 -3.710 -3.100 242 HD2 ARG 50 HD1 ARG 50 1.839 -3.675 -5.045 243 HD3 ARG 50 HD2 ARG 50 2.175 -4.822 -3.740 244 HE ARG 50 HE ARG 50 -0.479 -5.157 -4.618 245 HH11 ARG 50 HH11 ARG 50 2.800 -5.698 -5.653 246 HH12 ARG 50 HH12 ARG 50 2.395 -7.046 -6.664 247 HH21 ARG 50 HH21 ARG 50 -1.024 -6.929 -5.945 248 HH22 ARG 50 HH22 ARG 50 0.220 -7.745 -6.830 249 H LYS 51 H LYS 51 -1.472 0.941 -2.009 250 HA LYS 51 HA LYS 51 -0.482 2.877 -3.950 251 HB2 LYS 51 HB1 LYS 51 -3.170 1.636 -3.992 252 HB3 LYS 51 HB2 LYS 51 -3.127 3.396 -4.185 253 HG2 LYS 51 HG1 LYS 51 -2.563 3.189 -6.314 254 HG3 LYS 51 HG2 LYS 51 -1.132 2.247 -5.862 255 HD2 LYS 51 HD1 LYS 51 -2.856 0.288 -5.590 256 HD3 LYS 51 HD2 LYS 51 -3.851 1.296 -6.655 257 HE2 LYS 51 HE1 LYS 51 -1.768 1.416 -8.171 258 HE3 LYS 51 HE2 LYS 51 -1.176 0.052 -7.213 259 HZ1 LYS 51 HZ1 LYS 51 -3.536 -0.897 -7.785 260 HZ2 LYS 51 HZ2 LYS 51 -2.248 -1.049 -8.872 261 HZ3 LYS 51 HZ3 LYS 51 -3.411 0.158 -9.101 262 H PHE 52 H PHE 52 -1.001 5.061 -3.426 263 HA PHE 52 HA PHE 52 -1.929 5.427 -0.654 264 HB2 PHE 52 HB1 PHE 52 -0.392 7.437 -0.609 265 HB3 PHE 52 HB2 PHE 52 0.409 5.865 -0.635 266 HD1 PHE 52 HD1 PHE 52 -0.491 8.771 -2.725 267 HD2 PHE 52 HD2 PHE 52 1.853 5.233 -2.388 268 HE1 PHE 52 HE1 PHE 52 0.799 9.440 -4.711 269 HE2 PHE 52 HE2 PHE 52 3.146 5.897 -4.372 270 HZ PHE 52 HZ PHE 52 2.620 8.003 -5.537 271 H CYS 53 H CYS 53 -2.808 7.598 -0.196 272 HA CYS 53 HA CYS 53 -4.556 8.424 -2.370 273 HB2 CYS 53 HB1 CYS 53 -5.362 7.978 -0.007 274 HB3 CYS 53 HB2 CYS 53 -4.531 9.462 0.465 275 H LEU 54 H LEU 54 -3.529 9.747 -3.766 276 HA LEU 54 HA LEU 54 -1.734 11.815 -2.821 277 HB2 LEU 54 HB1 LEU 54 -1.612 10.361 -5.007 278 HB3 LEU 54 HB2 LEU 54 -2.677 11.626 -5.644 279 HG LEU 54 HG LEU 54 -0.331 12.021 -6.223 280 HD11 LEU 54 HD11 LEU 54 -0.194 14.339 -5.440 281 HD12 LEU 54 HD12 LEU 54 -1.469 14.013 -4.267 282 HD13 LEU 54 HD13 LEU 54 -1.816 13.925 -5.993 283 HD21 LEU 54 HD21 LEU 54 1.309 11.676 -4.771 284 HD22 LEU 54 HD22 LEU 54 0.118 11.235 -3.547 285 HD23 LEU 54 HD23 LEU 54 0.650 12.910 -3.698 286 H GLN 55 H GLN 55 -2.619 13.573 -1.946 287 HA GLN 55 HA GLN 55 -5.014 14.716 -3.222 288 HB2 GLN 55 HB1 GLN 55 -5.557 14.162 -0.988 289 HB3 GLN 55 HB2 GLN 55 -4.027 14.812 -0.378 290 HG2 GLN 55 HG1 GLN 55 -4.852 16.867 -0.159 291 HG3 GLN 55 HG2 GLN 55 -5.596 16.819 -1.762 292 HE21 GLN 55 HE21 GLN 55 -7.652 17.332 -1.564 293 HE22 GLN 55 HE22 GLN 55 -8.746 16.710 -0.381 294 HA PRO 56 HA PRO 56 -1.706 17.694 -4.296 295 HB2 PRO 56 HB1 PRO 56 -2.885 18.482 -6.640 296 HB3 PRO 56 HB2 PRO 56 -1.872 17.046 -6.494 297 HG2 PRO 56 HG1 PRO 56 -4.861 17.279 -6.432 298 HG3 PRO 56 HG2 PRO 56 -3.828 16.098 -7.320 299 HD2 PRO 56 HD1 PRO 56 -5.101 15.479 -5.004 300 HD3 PRO 56 HD2 PRO 56 -3.522 14.802 -5.438 301 H ARG 57 H ARG 57 -1.679 19.889 -4.019 302 HA ARG 57 HA ARG 57 -4.045 21.082 -2.873 303 HB2 ARG 57 HB1 ARG 57 -1.299 21.412 -2.533 304 HB3 ARG 57 HB2 ARG 57 -1.828 22.907 -3.319 305 HG2 ARG 57 HG1 ARG 57 -3.127 23.564 -1.551 306 HG3 ARG 57 HG2 ARG 57 -3.391 21.900 -0.999 307 HD2 ARG 57 HD1 ARG 57 -0.641 22.254 -0.775 308 HD3 ARG 57 HD2 ARG 57 -1.329 23.797 -0.250 309 HE ARG 57 HE ARG 57 -1.494 21.276 1.119 310 HH11 ARG 57 HH11 ARG 57 -2.977 24.395 0.679 311 HH12 ARG 57 HH12 ARG 57 -3.760 24.385 2.225 312 HH21 ARG 57 HH21 ARG 57 -2.518 21.253 3.156 313 HH22 ARG 57 HH22 ARG 57 -3.497 22.598 3.634 314 H ASP 58 H ASP 58 -2.400 21.097 -5.909 315 HA ASP 58 HA ASP 58 -3.912 23.432 -6.829 316 HB2 ASP 58 HB1 ASP 58 -1.436 22.043 -7.718 317 HB3 ASP 58 HB2 ASP 58 -2.433 22.786 -8.975 318 HD2 ASP 58 HD ASP 58 -0.775 25.234 -6.318 319 H GLU 59 H GLU 59 -4.454 20.251 -6.539 320 HA GLU 59 HA GLU 59 -6.356 20.255 -8.747 321 HB2 GLU 59 HB1 GLU 59 -3.906 18.839 -8.876 322 HB3 GLU 59 HB2 GLU 59 -5.184 17.641 -8.624 323 HG2 GLU 59 HG1 GLU 59 -5.530 17.699 -10.814 324 HG3 GLU 59 HG2 GLU 59 -6.229 19.303 -10.561 325 HE2 GLU 59 HE GLU 59 -3.617 20.848 -12.164 326 H LYS 60 H LYS 60 -7.514 17.913 -8.616 327 HA LYS 60 HA LYS 60 -8.680 17.874 -5.965 328 HB2 LYS 60 HB1 LYS 60 -10.255 16.209 -6.986 329 HB3 LYS 60 HB2 LYS 60 -10.223 17.786 -7.791 330 HG2 LYS 60 HG1 LYS 60 -9.335 16.965 -9.707 331 HG3 LYS 60 HG2 LYS 60 -8.404 15.717 -8.860 332 HD2 LYS 60 HD1 LYS 60 -10.224 14.261 -8.717 333 HD3 LYS 60 HD2 LYS 60 -11.396 15.564 -8.981 334 HE2 LYS 60 HE1 LYS 60 -10.578 15.798 -11.311 335 HE3 LYS 60 HE2 LYS 60 -9.489 14.432 -11.028 336 HZ1 LYS 60 HZ1 LYS 60 -12.446 14.295 -10.794 337 HZ2 LYS 60 HZ2 LYS 60 -11.366 12.999 -10.669 338 HZ3 LYS 60 HZ3 LYS 60 -11.566 13.794 -12.149 339 HA PRO 61 HA PRO 61 -6.601 14.351 -4.373 340 HB2 PRO 61 HB1 PRO 61 -8.578 13.185 -2.878 341 HB3 PRO 61 HB2 PRO 61 -7.771 14.685 -2.423 342 HG2 PRO 61 HG1 PRO 61 -10.394 14.285 -3.822 343 HG3 PRO 61 HG2 PRO 61 -9.985 15.394 -2.460 344 HD2 PRO 61 HD1 PRO 61 -10.197 16.244 -5.029 345 HD3 PRO 61 HD2 PRO 61 -9.047 16.948 -3.881 346 H PHE 62 H PHE 62 -6.026 12.529 -5.364 347 HA PHE 62 HA PHE 62 -8.088 10.689 -6.316 348 HB2 PHE 62 HB1 PHE 62 -6.672 10.352 -8.427 349 HB3 PHE 62 HB2 PHE 62 -7.665 11.808 -8.341 350 HD1 PHE 62 HD1 PHE 62 -6.708 13.763 -9.041 351 HD2 PHE 62 HD2 PHE 62 -4.226 10.752 -7.341 352 HE1 PHE 62 HE1 PHE 62 -4.729 15.168 -9.446 353 HE2 PHE 62 HE2 PHE 62 -2.244 12.153 -7.743 354 HZ PHE 62 HZ PHE 62 -2.495 14.365 -8.796 355 H CYS 63 H CYS 63 -6.890 8.634 -7.227 356 HA CYS 63 HA CYS 63 -4.959 7.862 -5.157 357 HB2 CYS 63 HB1 CYS 63 -7.188 6.610 -5.615 358 HB3 CYS 63 HB2 CYS 63 -6.344 5.946 -7.015 359 H ALA 64 H ALA 64 -2.898 7.496 -5.644 360 HA ALA 64 HA ALA 64 -2.148 7.347 -8.486 361 HB1 ALA 64 HB1 ALA 64 0.065 7.806 -6.688 362 HB2 ALA 64 HB2 ALA 64 -0.495 8.770 -8.055 363 HB3 ALA 64 HB3 ALA 64 -1.210 9.002 -6.459 364 H THR 65 H THR 65 -0.811 5.736 -9.232 365 HA THR 65 HA THR 65 -0.808 3.291 -7.732 366 HB THR 65 HB THR 65 0.439 2.378 -9.713 367 HG1 THR 65 HG1 THR 65 1.224 3.736 -11.129 368 HG21 THR 65 HG21 THR 65 -1.670 1.905 -10.280 369 HG22 THR 65 HG22 THR 65 -1.647 3.366 -11.267 370 HG23 THR 65 HG23 THR 65 -2.258 3.427 -9.615 371 H CYS 66 H CYS 66 1.278 1.948 -7.716 372 HA CYS 66 HA CYS 66 3.096 3.046 -5.953 373 HB2 CYS 66 HB1 CYS 66 2.854 0.638 -6.306 374 HB3 CYS 66 HB2 CYS 66 3.549 0.793 -7.921 375 H ARG 67 H ARG 67 5.120 3.969 -6.114 376 HA ARG 67 HA ARG 67 5.709 5.201 -8.702 377 HB2 ARG 67 HB1 ARG 67 6.787 5.802 -5.937 378 HB3 ARG 67 HB2 ARG 67 7.183 6.702 -7.408 379 HG2 ARG 67 HG1 ARG 67 4.375 6.427 -6.348 380 HG3 ARG 67 HG2 ARG 67 5.462 7.762 -5.926 381 HD2 ARG 67 HD1 ARG 67 5.627 8.435 -8.249 382 HD3 ARG 67 HD2 ARG 67 4.670 7.031 -8.742 383 HE ARG 67 HE ARG 67 2.759 8.138 -8.111 384 HH11 ARG 67 HH11 ARG 67 5.545 9.822 -6.877 385 HH12 ARG 67 HH12 ARG 67 4.643 11.210 -6.368 386 HH21 ARG 67 HH21 ARG 67 1.560 9.961 -7.446 387 HH22 ARG 67 HH22 ARG 67 2.376 11.288 -6.691 388 H GLY 68 H GLY 68 7.988 5.388 -9.370 389 HA2 GLY 68 HA2 GLY 68 9.323 2.817 -9.016 390 HA3 GLY 68 HA3 GLY 68 9.694 4.022 -10.240 391 HA1 GLY 68 HA1 GLY 68 9.182 3.315 -8.301 392 H LEU 69 H LEU 69 11.896 3.223 -9.373 393 HA LEU 69 HA LEU 69 12.804 4.142 -6.855 394 HB2 LEU 69 HB1 LEU 69 14.109 3.183 -9.370 395 HB3 LEU 69 HB2 LEU 69 15.096 3.953 -8.115 396 HG LEU 69 HG LEU 69 13.404 1.484 -7.730 397 HD11 LEU 69 HD11 LEU 69 15.134 0.625 -8.929 398 HD12 LEU 69 HD12 LEU 69 15.880 0.625 -7.330 399 HD13 LEU 69 HD13 LEU 69 16.242 1.919 -8.472 400 HD21 LEU 69 HD21 LEU 69 15.171 1.567 -5.675 401 HD22 LEU 69 HD22 LEU 69 13.509 2.149 -5.587 402 HD23 LEU 69 HD23 LEU 69 14.825 3.282 -5.896 403 H ARG 70 H ARG 70 13.489 5.394 -10.128 404 HA ARG 70 HA ARG 70 14.816 7.709 -9.343 405 HB2 ARG 70 HB1 ARG 70 13.132 7.156 -11.795 406 HB3 ARG 70 HB2 ARG 70 14.137 8.599 -11.594 407 HG2 ARG 70 HG1 ARG 70 15.230 5.791 -11.473 408 HG3 ARG 70 HG2 ARG 70 15.163 6.764 -12.951 409 HD2 ARG 70 HD1 ARG 70 16.776 8.244 -12.234 410 HD3 ARG 70 HD2 ARG 70 16.414 7.955 -10.527 411 HE ARG 70 HE ARG 70 18.003 6.324 -10.523 412 HH11 ARG 70 HH11 ARG 70 16.973 6.858 -13.806 413 HH12 ARG 70 HH12 ARG 70 18.140 5.775 -14.487 414 HH21 ARG 70 HH21 ARG 70 19.546 4.897 -11.408 415 HH22 ARG 70 HH22 ARG 70 19.603 4.659 -13.122 416 H ARG 71 H ARG 71 11.443 6.952 -9.320 417 HA ARG 71 HA ARG 71 10.296 9.485 -9.429 418 HB2 ARG 71 HB1 ARG 71 9.476 6.834 -8.745 419 HB3 ARG 71 HB2 ARG 71 8.866 7.947 -7.512 420 HG2 ARG 71 HG1 ARG 71 7.198 7.694 -9.218 421 HG3 ARG 71 HG2 ARG 71 7.872 9.330 -9.307 422 HD2 ARG 71 HD1 ARG 71 7.855 8.727 -11.537 423 HD3 ARG 71 HD2 ARG 71 9.495 8.275 -11.051 424 HE ARG 71 HE ARG 71 8.968 6.087 -11.441 425 HH11 ARG 71 HH11 ARG 71 6.025 7.924 -11.156 426 HH12 ARG 71 HH12 ARG 71 5.002 6.605 -11.623 427 HH21 ARG 71 HH21 ARG 71 7.633 4.342 -12.056 428 HH22 ARG 71 HH22 ARG 71 5.918 4.568 -12.133 429 H ARG 72 H ARG 72 10.102 11.146 -8.039 430 HA ARG 72 HA ARG 72 11.788 11.236 -5.742 431 HB2 ARG 72 HB1 ARG 72 10.745 13.493 -5.394 432 HB3 ARG 72 HB2 ARG 72 11.483 13.254 -6.984 433 HG2 ARG 72 HG1 ARG 72 8.634 12.558 -6.868 434 HG3 ARG 72 HG2 ARG 72 8.996 14.265 -6.555 435 HD2 ARG 72 HD1 ARG 72 10.589 13.867 -8.688 436 HD3 ARG 72 HD2 ARG 72 9.325 12.677 -9.028 437 HE ARG 72 HE ARG 72 8.055 15.063 -8.371 438 HH11 ARG 72 HH11 ARG 72 10.161 13.824 -10.851 439 HH12 ARG 72 HH12 ARG 72 9.554 14.884 -12.079 440 HH21 ARG 72 HH21 ARG 72 7.248 16.465 -9.979 441 HH22 ARG 72 HH22 ARG 72 7.899 16.387 -11.581 442 H CYS 73 H CYS 73 11.047 11.837 -3.568 443 HA CYS 73 HA CYS 73 8.328 11.129 -2.856 444 HB2 CYS 73 HB1 CYS 73 9.049 9.446 -1.180 445 HB3 CYS 73 HB2 CYS 73 9.349 8.938 -2.843 446 H GLN 74 H GLN 74 7.913 11.480 -0.516 447 HA GLN 74 HA GLN 74 9.690 13.577 0.546 448 HB2 GLN 74 HB1 GLN 74 6.723 13.365 0.366 449 HB3 GLN 74 HB2 GLN 74 7.407 14.160 1.792 450 HG2 GLN 74 HG1 GLN 74 8.747 15.591 0.157 451 HG3 GLN 74 HG2 GLN 74 7.652 14.966 -1.083 452 HE21 GLN 74 HE21 GLN 74 6.544 16.774 -1.566 453 HE22 GLN 74 HE22 GLN 74 5.557 17.644 -0.447 454 H ARG 75 H ARG 75 7.980 10.634 1.182 455 HA ARG 75 HA ARG 75 9.241 10.517 3.829 456 HB2 ARG 75 HB1 ARG 75 7.196 9.422 4.736 457 HB3 ARG 75 HB2 ARG 75 6.957 11.120 4.290 458 HG2 ARG 75 HG1 ARG 75 6.276 9.760 1.983 459 HG3 ARG 75 HG2 ARG 75 5.650 8.734 3.285 460 HD2 ARG 75 HD1 ARG 75 4.937 11.260 4.123 461 HD3 ARG 75 HD2 ARG 75 4.751 11.356 2.367 462 HE ARG 75 HE ARG 75 3.486 9.051 2.965 463 HH11 ARG 75 HH11 ARG 75 3.265 12.279 4.248 464 HH12 ARG 75 HH12 ARG 75 1.592 12.136 4.672 465 HH21 ARG 75 HH21 ARG 75 1.283 8.850 3.519 466 HH22 ARG 75 HH22 ARG 75 0.465 10.185 4.259 467 H ASP 76 H ASP 76 8.974 8.177 4.722 468 HA ASP 76 HA ASP 76 10.211 6.437 2.827 469 HB2 ASP 76 HB1 ASP 76 10.937 6.270 5.091 470 HB3 ASP 76 HB2 ASP 76 9.281 6.046 5.672 471 HD2 ASP 76 HD ASP 76 9.781 2.673 5.530 472 H ALA 77 H ALA 77 6.972 6.928 3.948 473 HA ALA 77 HA ALA 77 5.994 4.383 2.997 474 HB1 ALA 77 HB1 ALA 77 4.356 6.779 3.795 475 HB2 ALA 77 HB2 ALA 77 3.855 5.088 3.748 476 HB3 ALA 77 HB3 ALA 77 5.024 5.628 4.952 477 H MET 78 H MET 78 6.429 7.579 1.746 478 HA MET 78 HA MET 78 4.525 7.718 -0.255 479 HB2 MET 78 HB1 MET 78 7.076 8.981 0.340 480 HB3 MET 78 HB2 MET 78 6.824 8.801 -1.403 481 HG2 MET 78 HG1 MET 78 4.836 10.078 0.475 482 HG3 MET 78 HG2 MET 78 6.034 10.961 -0.475 483 HE1 MET 78 HE1 MET 78 5.095 10.080 -4.092 484 HE2 MET 78 HE2 MET 78 5.406 11.624 -3.298 485 HE3 MET 78 HE3 MET 78 6.412 10.223 -2.927 486 H CYS 79 H CYS 79 7.415 5.786 -0.081 487 HA CYS 79 HA CYS 79 7.086 4.937 -2.869 488 HB2 CYS 79 HB1 CYS 79 9.324 4.384 -0.903 489 HB3 CYS 79 HB2 CYS 79 9.296 3.869 -2.591 490 H CYS 80 H CYS 80 7.123 2.664 -3.387 491 HA CYS 80 HA CYS 80 5.263 1.140 -2.033 492 HB2 CYS 80 HB1 CYS 80 7.237 0.688 -4.156 493 HB3 CYS 80 HB2 CYS 80 6.851 -0.766 -3.234 494 HA PRO 81 HA PRO 81 7.202 -0.722 1.433 495 HB2 PRO 81 HB1 PRO 81 6.191 -3.267 1.386 496 HB3 PRO 81 HB2 PRO 81 5.235 -1.848 1.812 497 HG2 PRO 81 HG1 PRO 81 5.442 -3.281 -0.815 498 HG3 PRO 81 HG2 PRO 81 3.975 -2.687 0.047 499 HD2 PRO 81 HD1 PRO 81 5.087 -1.357 -2.041 500 HD3 PRO 81 HD2 PRO 81 4.298 -0.527 -0.689 501 H GLY 82 H GLY 82 9.315 -1.154 1.521 502 HA2 GLY 82 HA2 GLY 82 10.808 -3.201 1.421 503 HA3 GLY 82 HA3 GLY 82 10.395 -3.224 -0.287 504 HA1 GLY 82 HA1 GLY 82 10.752 -2.341 1.613 505 H THR 83 H THR 83 10.440 -0.150 -0.101 506 HA THR 83 HA THR 83 13.368 0.107 -0.323 507 HB THR 83 HB THR 83 12.864 2.025 -1.896 508 HG1 THR 83 HG1 THR 83 10.345 0.848 -2.318 509 HG21 THR 83 HG21 THR 83 13.261 -0.590 -2.412 510 HG22 THR 83 HG22 THR 83 13.068 0.630 -3.671 511 HG23 THR 83 HG23 THR 83 11.693 -0.361 -3.185 512 H LEU 84 H LEU 84 14.027 2.527 -0.167 513 HA LEU 84 HA LEU 84 12.539 3.800 2.031 514 HB2 LEU 84 HB1 LEU 84 15.514 3.391 1.752 515 HB3 LEU 84 HB2 LEU 84 14.800 4.572 2.864 516 HG LEU 84 HG LEU 84 13.760 1.839 3.157 517 HD11 LEU 84 HD11 LEU 84 15.710 0.777 3.189 518 HD12 LEU 84 HD12 LEU 84 16.126 1.731 4.612 519 HD13 LEU 84 HD13 LEU 84 16.609 2.284 3.009 520 HD21 LEU 84 HD21 LEU 84 14.998 3.196 5.426 521 HD22 LEU 84 HD22 LEU 84 13.366 2.555 5.237 522 HD23 LEU 84 HD23 LEU 84 13.760 4.158 4.615 523 H CYS 85 H CYS 85 12.786 6.103 2.195 524 HA CYS 85 HA CYS 85 13.030 7.350 -0.413 525 HB2 CYS 85 HB1 CYS 85 11.164 7.810 1.266 526 HB3 CYS 85 HB2 CYS 85 12.361 8.719 2.191 527 H VAL 86 H VAL 86 15.141 7.575 -0.965 528 HA VAL 86 HA VAL 86 16.910 8.956 0.943 529 HB VAL 86 HB VAL 86 17.652 7.258 -1.443 530 HG11 VAL 86 HG11 VAL 86 19.964 7.461 -0.382 531 HG12 VAL 86 HG12 VAL 86 19.346 8.872 -1.243 532 HG13 VAL 86 HG13 VAL 86 19.301 8.824 0.520 533 HG21 VAL 86 HG21 VAL 86 17.839 5.490 -0.081 534 HG22 VAL 86 HG22 VAL 86 18.557 6.446 1.216 535 HG23 VAL 86 HG23 VAL 86 16.804 6.405 1.016 536 H ASN 87 H ASN 87 17.688 10.919 0.465 537 HA ASN 87 HA ASN 87 17.905 12.929 -0.585 538 HB2 ASN 87 HB1 ASN 87 19.371 11.193 -1.966 539 HB3 ASN 87 HB2 ASN 87 18.196 11.575 -3.231 540 HD21 ASN 87 HD21 ASN 87 19.591 12.657 -4.549 541 HD22 ASN 87 HD22 ASN 87 20.291 14.185 -4.146 542 H ASP 88 H ASP 88 15.249 12.010 -0.292 543 HA ASP 88 HA ASP 88 13.133 12.553 -0.929 544 HB2 ASP 88 HB1 ASP 88 14.396 14.411 -2.954 545 HB3 ASP 88 HB2 ASP 88 12.789 14.536 -2.226 546 HD2 ASP 88 HD ASP 88 14.051 15.954 0.685 547 H VAL 89 H VAL 89 14.644 10.416 -2.280 548 HA VAL 89 HA VAL 89 12.815 10.050 -4.516 549 HB VAL 89 HB VAL 89 15.808 9.823 -4.859 550 HG11 VAL 89 HG11 VAL 89 14.672 8.052 -6.051 551 HG12 VAL 89 HG12 VAL 89 13.556 9.214 -6.771 552 HG13 VAL 89 HG13 VAL 89 15.267 9.252 -7.197 553 HG21 VAL 89 HG21 VAL 89 13.819 11.699 -6.136 554 HG22 VAL 89 HG22 VAL 89 15.015 12.134 -4.915 555 HG23 VAL 89 HG23 VAL 89 15.539 11.605 -6.514 556 H CYS 90 H CYS 90 12.278 7.940 -4.878 557 HA CYS 90 HA CYS 90 12.614 6.068 -2.846 558 HB2 CYS 90 HB1 CYS 90 11.945 5.583 -5.761 559 HB3 CYS 90 HB2 CYS 90 11.698 4.424 -4.453 560 H THR 91 H THR 91 14.076 4.521 -2.407 561 HA THR 91 HA THR 91 16.078 3.807 -4.413 562 HB THR 91 HB THR 91 16.807 4.812 -1.655 563 HG1 THR 91 HG1 THR 91 17.579 5.851 -4.187 564 HG21 THR 91 HG21 THR 91 19.138 4.465 -2.396 565 HG22 THR 91 HG22 THR 91 18.536 3.698 -3.866 566 HG23 THR 91 HG23 THR 91 18.234 2.954 -2.297 567 H THR 92 H THR 92 16.661 1.711 -4.330 568 HA THR 92 HA THR 92 15.202 -0.139 -2.839 569 HB THR 92 HB THR 92 17.683 -1.347 -3.502 570 HG1 THR 92 HG1 THR 92 17.816 -0.692 -5.717 571 HG21 THR 92 HG21 THR 92 16.365 -2.620 -5.028 572 HG22 THR 92 HG22 THR 92 15.145 -1.350 -5.129 573 HG23 THR 92 HG23 THR 92 15.340 -2.268 -3.637 574 H MET 93 H MET 93 15.954 -1.663 -1.220 575 HA MET 93 HA MET 93 17.201 -0.359 0.973 576 HB2 MET 93 HB1 MET 93 15.948 -2.970 0.437 577 HB3 MET 93 HB2 MET 93 17.218 -2.999 1.670 578 HG2 MET 93 HG1 MET 93 16.070 -1.272 2.943 579 HG3 MET 93 HG2 MET 93 14.824 -1.176 1.696 580 HE1 MET 93 HE1 MET 93 14.391 -2.185 5.179 581 HE2 MET 93 HE2 MET 93 15.037 -3.825 5.249 582 HE3 MET 93 HE3 MET 93 16.075 -2.489 4.751 583 H GLU 94 H GLU 94 18.301 -2.635 -1.458 584 HA GLU 94 HA GLU 94 20.817 -3.149 -0.171 585 HB2 GLU 94 HB1 GLU 94 19.500 -3.923 -2.723 586 HB3 GLU 94 HB2 GLU 94 21.268 -3.967 -2.683 587 HG2 GLU 94 HG1 GLU 94 20.477 -5.222 -0.322 588 HG3 GLU 94 HG2 GLU 94 19.359 -5.808 -1.561 589 HE2 GLU 94 HE GLU 94 23.122 -6.964 -1.707 590 H ASP 95 H ASP 95 19.575 -0.821 -2.417 591 HA ASP 95 HA ASP 95 22.164 0.052 -3.337 592 HB2 ASP 95 HB1 ASP 95 19.441 0.446 -4.112 593 HB3 ASP 95 HB2 ASP 95 20.173 2.030 -3.828 594 HD2 ASP 95 HD ASP 95 21.740 -0.171 -6.743 595 H ALA 96 H ALA 96 19.744 1.142 -1.013 596 HA ALA 96 HA ALA 96 20.854 3.627 -0.372 597 HB1 ALA 96 HB1 ALA 96 18.718 2.059 0.531 598 HB2 ALA 96 HB2 ALA 96 19.706 2.393 1.954 599 HB3 ALA 96 HB3 ALA 96 19.092 3.725 0.974 600 H THR 97 H THR 97 21.611 0.391 0.783 601 HA THR 97 HA THR 97 23.228 1.079 2.964 602 HB THR 97 HB THR 97 24.230 -1.265 1.584 603 HG1 THR 97 HG1 THR 97 22.188 -2.412 1.749 604 HG21 THR 97 HG21 THR 97 23.867 -0.433 4.165 605 HG22 THR 97 HG22 THR 97 24.246 -2.085 3.677 606 HG23 THR 97 HG23 THR 97 22.572 -1.615 3.974 607 H GLU 98 H GLU 98 24.322 0.033 -0.271 608 HA GLU 98 HA GLU 98 26.201 0.501 -1.465 609 HB2 GLU 98 HB1 GLU 98 25.180 2.846 -1.059 610 HB3 GLU 98 HB2 GLU 98 26.498 3.044 0.107 611 HG2 GLU 98 HG1 GLU 98 28.156 2.866 -1.561 612 HG3 GLU 98 HG2 GLU 98 26.992 2.261 -2.746 613 HE2 GLU 98 HE GLU 98 27.634 5.979 -2.901 614 H ASN 99 H ASN 99 27.527 -1.108 -0.680 615 HA ASN 99 HA ASN 99 28.925 -0.935 1.786 616 HB2 ASN 99 HB1 ASN 99 29.138 -2.698 -0.644 617 HB3 ASN 99 HB2 ASN 99 30.351 -2.791 0.641 618 HD21 ASN 99 HD21 ASN 99 28.264 -4.693 -0.308 619 HD22 ASN 99 HD22 ASN 99 27.386 -5.131 1.115 620 H LEU 100 H LEU 100 30.981 -0.282 2.248 621 HA LEU 100 HA LEU 100 32.319 1.297 0.169 622 HB2 LEU 100 HB1 LEU 100 31.684 1.865 2.807 623 HB3 LEU 100 HB2 LEU 100 33.417 1.495 2.853 624 HG LEU 100 HG LEU 100 32.916 3.280 0.679 625 HD11 LEU 100 HD11 LEU 100 32.095 5.217 1.907 626 HD12 LEU 100 HD12 LEU 100 31.856 4.219 3.341 627 HD13 LEU 100 HD13 LEU 100 30.896 3.924 1.891 628 HD21 LEU 100 HD21 LEU 100 34.348 4.747 2.311 629 HD22 LEU 100 HD22 LEU 100 35.048 3.330 1.528 630 HD23 LEU 100 HD23 LEU 100 34.501 3.233 3.203 631 H TYR 101 H TYR 101 34.796 1.381 0.498 632 HA TYR 101 HA TYR 101 35.736 -1.388 0.475 633 HB2 TYR 101 HB1 TYR 101 36.768 1.193 -0.666 634 HB3 TYR 101 HB2 TYR 101 37.864 -0.172 -0.440 635 HD1 TYR 101 HD1 TYR 101 37.833 -2.058 -1.891 636 HD2 TYR 101 HD2 TYR 101 34.819 0.928 -2.218 637 HE1 TYR 101 HE1 TYR 101 37.098 -3.041 -4.023 638 HE2 TYR 101 HE2 TYR 101 34.075 -0.049 -4.350 639 HH TYR 101 HH TYR 101 34.719 -3.005 -5.343 640 H PHE 102 H PHE 102 37.796 -1.921 1.472 641 HA PHE 102 HA PHE 102 38.454 -0.220 3.782 642 HB2 PHE 102 HB1 PHE 102 37.796 -3.140 3.694 643 HB3 PHE 102 HB2 PHE 102 38.980 -2.572 4.871 644 HD1 PHE 102 HD1 PHE 102 35.583 -3.175 4.343 645 HD2 PHE 102 HD2 PHE 102 38.230 -0.449 6.258 646 HE1 PHE 102 HE1 PHE 102 33.772 -2.488 5.860 647 HE2 PHE 102 HE2 PHE 102 36.425 0.241 7.780 648 HZ PHE 102 HZ PHE 102 34.192 -0.779 7.583 649 H GLN 103 H GLN 103 40.509 0.380 3.757 650 HA GLN 103 HA GLN 103 42.728 0.482 3.264 651 HB2 GLN 103 HB1 GLN 103 42.531 -2.536 3.415 652 HB3 GLN 103 HB2 GLN 103 44.012 -1.574 3.556 653 HG2 GLN 103 HG1 GLN 103 43.702 -1.657 5.753 654 HG3 GLN 103 HG2 GLN 103 42.397 -0.492 5.494 655 HE21 GLN 103 HE21 GLN 103 40.935 -1.109 6.961 656 HE22 GLN 103 HE22 GLN 103 40.212 -2.677 7.039 657 H SER 104 H SER 104 44.481 -0.858 1.771 658 HA SER 104 HA SER 104 43.212 -1.244 -0.854 659 HB2 SER 104 HB1 SER 104 44.779 0.983 -0.112 660 HB3 SER 104 HB2 SER 104 45.811 -0.026 -1.141 661 HG SER 104 HG SER 104 44.498 0.273 -2.809 662 H LEU 105 H LEU 105 45.296 -1.841 -2.409 663 HA LEU 105 HA LEU 105 46.690 -4.043 -1.037 664 HB2 LEU 105 HB1 LEU 105 45.190 -4.026 -3.636 665 HB3 LEU 105 HB2 LEU 105 46.527 -5.160 -3.376 666 HG LEU 105 HG LEU 105 45.199 -5.827 -1.236 667 HD11 LEU 105 HD11 LEU 105 42.751 -5.639 -1.591 668 HD12 LEU 105 HD12 LEU 105 43.068 -4.531 -2.925 669 HD13 LEU 105 HD13 LEU 105 43.542 -4.093 -1.284 670 HD21 LEU 105 HD21 LEU 105 43.839 -6.718 -3.724 671 HD22 LEU 105 HD22 LEU 105 44.458 -7.664 -2.369 672 HD23 LEU 105 HD23 LEU 105 45.573 -7.010 -3.571 673 H GLU 106 H GLU 106 48.457 -4.931 -2.683 674 HA GLU 106 HA GLU 106 50.480 -4.560 -3.653 675 HB2 GLU 106 HB1 GLU 106 48.606 -2.927 -5.057 676 HB3 GLU 106 HB2 GLU 106 50.126 -2.032 -4.909 677 HG2 GLU 106 HG1 GLU 106 50.476 -4.828 -5.701 678 HG3 GLU 106 HG2 GLU 106 49.548 -3.856 -6.850 679 HE2 GLU 106 HE GLU 106 52.346 -1.776 -7.456 680 H HIS 107 H HIS 107 51.792 -4.216 -1.923 681 HA HIS 107 HA HIS 107 52.677 -1.500 -1.480 682 HB2 HIS 107 HB1 HIS 107 50.899 -2.854 0.383 683 HB3 HIS 107 HB2 HIS 107 52.429 -2.408 1.146 684 HD1 HIS 107 HD1 HIS 107 53.080 0.284 0.177 685 HD2 HIS 107 HD2 HIS 107 49.151 -0.855 0.901 686 HE1 HIS 107 HE1 HIS 107 51.812 2.428 0.524 687 HE2 HIS 107 HE2 HIS 107 49.409 1.733 0.967 688 H HIS 108 H HIS 108 54.377 -1.660 0.500 689 HA HIS 108 HA HIS 108 56.363 -2.490 1.254 690 HB2 HIS 108 HB1 HIS 108 54.898 -4.621 1.470 691 HB3 HIS 108 HB2 HIS 108 55.741 -5.158 0.014 692 HD1 HIS 108 HD1 HIS 108 56.007 -5.356 3.561 693 HD2 HIS 108 HD2 HIS 108 58.727 -5.008 0.440 694 HE1 HIS 108 HE1 HIS 108 58.214 -6.102 4.507 695 HE2 HIS 108 HE2 HIS 108 59.877 -5.890 2.600 696 H HIS 109 H HIS 109 55.858 -4.372 -1.731 697 HA HIS 109 HA HIS 109 57.054 -4.514 -3.661 698 HB2 HIS 109 HB1 HIS 109 57.135 -1.676 -2.909 699 HB3 HIS 109 HB2 HIS 109 58.463 -2.170 -3.963 700 HD1 HIS 109 HD1 HIS 109 54.970 -1.191 -4.061 701 HD2 HIS 109 HD2 HIS 109 57.531 -3.421 -6.453 702 HE1 HIS 109 HE1 HIS 109 53.837 -1.341 -6.301 703 HE2 HIS 109 HE2 HIS 109 55.401 -2.706 -7.764 704 H HIS 110 H HIS 110 58.537 -6.075 -3.218 705 HA HIS 110 HA HIS 110 61.126 -5.188 -2.126 706 HB2 HIS 110 HB1 HIS 110 59.612 -7.009 -0.949 707 HB3 HIS 110 HB2 HIS 110 60.339 -8.072 -2.157 708 HD1 HIS 110 HD1 HIS 110 62.136 -5.296 -0.314 709 HD2 HIS 110 HD2 HIS 110 62.112 -9.441 -0.589 710 HE1 HIS 110 HE1 HIS 110 64.115 -6.070 1.030 711 HE2 HIS 110 HE2 HIS 110 64.102 -8.603 0.862 712 H HIS 111 H HIS 111 62.979 -6.639 -2.889 713 HA HIS 111 HA HIS 111 64.331 -7.323 -4.586 714 HB2 HIS 111 HB1 HIS 111 61.862 -8.717 -4.912 715 HB3 HIS 111 HB2 HIS 111 62.463 -8.285 -6.515 716 HD1 HIS 111 HD1 HIS 111 64.281 -9.566 -3.420 717 HD2 HIS 111 HD2 HIS 111 63.814 -10.418 -7.459 718 HE1 HIS 111 HE1 HIS 111 65.784 -11.531 -3.871 719 HE2 HIS 111 HE2 HIS 111 65.498 -12.053 -6.341 720 H HIS 112 H HIS 112 65.110 -5.409 -5.352 721 HA HIS 112 HA HIS 112 63.586 -3.696 -7.068 722 HB2 HIS 112 HB1 HIS 112 66.260 -3.694 -5.829 723 HB3 HIS 112 HB2 HIS 112 66.178 -2.886 -7.399 724 HD1 HIS 112 HD1 HIS 112 64.287 -2.779 -4.096 725 HD2 HIS 112 HD2 HIS 112 65.380 -0.307 -7.251 726 HE1 HIS 112 HE1 HIS 112 63.504 -0.479 -3.450 727 HE2 HIS 112 HE2 HIS 112 64.172 1.033 -5.377 Start of MODEL 65 1 H1 MET 18 H MET 18 -53.796 -28.031 -7.101 2 HA MET 18 HA MET 18 -52.454 -28.778 -5.322 3 HB2 MET 18 HB1 MET 18 -51.524 -29.355 -8.007 4 HB3 MET 18 HB2 MET 18 -50.187 -29.387 -6.847 5 HG2 MET 18 HG1 MET 18 -50.906 -31.577 -6.806 6 HG3 MET 18 HG2 MET 18 -51.756 -30.870 -5.431 7 HE1 MET 18 HE1 MET 18 -55.207 -31.847 -5.940 8 HE2 MET 18 HE2 MET 18 -53.837 -32.829 -5.419 9 HE3 MET 18 HE3 MET 18 -53.936 -31.133 -4.947 10 H LEU 19 H LEU 19 -51.481 -27.686 -3.756 11 HA LEU 19 HA LEU 19 -50.093 -26.279 -2.631 12 HB2 LEU 19 HB1 LEU 19 -48.435 -27.393 -4.826 13 HB3 LEU 19 HB2 LEU 19 -47.795 -25.979 -3.973 14 HG LEU 19 HG LEU 19 -48.239 -27.370 -1.829 15 HD11 LEU 19 HD11 LEU 19 -48.574 -29.607 -1.981 16 HD12 LEU 19 HD12 LEU 19 -47.740 -29.742 -3.529 17 HD13 LEU 19 HD13 LEU 19 -49.392 -29.126 -3.468 18 HD21 LEU 19 HD21 LEU 19 -46.023 -28.540 -2.173 19 HD22 LEU 19 HD22 LEU 19 -46.027 -26.794 -2.421 20 HD23 LEU 19 HD23 LEU 19 -46.034 -27.882 -3.809 21 H VAL 20 H VAL 20 -51.257 -24.384 -2.789 22 HA VAL 20 HA VAL 20 -51.126 -22.690 -5.096 23 HB VAL 20 HB VAL 20 -52.108 -22.060 -2.308 24 HG11 VAL 20 HG11 VAL 20 -53.426 -20.298 -3.578 25 HG12 VAL 20 HG12 VAL 20 -51.698 -20.002 -3.378 26 HG13 VAL 20 HG13 VAL 20 -52.321 -20.589 -4.920 27 HG21 VAL 20 HG21 VAL 20 -53.372 -23.338 -4.682 28 HG22 VAL 20 HG22 VAL 20 -53.565 -23.703 -2.968 29 HG23 VAL 20 HG23 VAL 20 -54.355 -22.288 -3.662 30 H LEU 21 H LEU 21 -49.398 -21.537 -5.623 31 HA LEU 21 HA LEU 21 -47.195 -21.061 -3.969 32 HB2 LEU 21 HB1 LEU 21 -48.155 -19.823 -6.535 33 HB3 LEU 21 HB2 LEU 21 -46.695 -19.236 -5.718 34 HG LEU 21 HG LEU 21 -45.833 -21.628 -5.866 35 HD11 LEU 21 HD11 LEU 21 -46.818 -22.943 -7.734 36 HD12 LEU 21 HD12 LEU 21 -48.169 -21.809 -7.761 37 HD13 LEU 21 HD13 LEU 21 -47.872 -22.793 -6.327 38 HD21 LEU 21 HD21 LEU 21 -45.090 -21.326 -8.180 39 HD22 LEU 21 HD22 LEU 21 -44.985 -19.823 -7.262 40 HD23 LEU 21 HD23 LEU 21 -46.306 -20.069 -8.405 41 H ASP 22 H ASP 22 -46.840 -19.648 -2.395 42 HA ASP 22 HA ASP 22 -48.728 -17.418 -2.067 43 HB2 ASP 22 HB1 ASP 22 -47.086 -19.033 -0.136 44 HB3 ASP 22 HB2 ASP 22 -47.630 -17.411 0.304 45 HD2 ASP 22 HD ASP 22 -50.994 -18.451 0.373 46 H PHE 23 H PHE 23 -45.367 -17.961 -1.023 47 HA PHE 23 HA PHE 23 -44.208 -15.994 -2.656 48 HB2 PHE 23 HB1 PHE 23 -45.742 -14.790 -0.756 49 HB3 PHE 23 HB2 PHE 23 -44.191 -14.887 0.082 50 HD1 PHE 23 HD1 PHE 23 -42.233 -13.701 -0.736 51 HD2 PHE 23 HD2 PHE 23 -46.002 -13.358 -2.682 52 HE1 PHE 23 HE1 PHE 23 -41.424 -11.715 -1.944 53 HE2 PHE 23 HE2 PHE 23 -45.199 -11.373 -3.894 54 HZ PHE 23 HZ PHE 23 -42.908 -10.550 -3.526 55 H ASN 24 H ASN 24 -42.112 -16.462 -2.740 56 HA ASN 24 HA ASN 24 -40.972 -18.209 -0.722 57 HB2 ASN 24 HB1 ASN 24 -40.642 -17.894 -3.499 58 HB3 ASN 24 HB2 ASN 24 -39.105 -17.403 -2.774 59 HD21 ASN 24 HD21 ASN 24 -37.778 -19.054 -3.068 60 HD22 ASN 24 HD22 ASN 24 -38.099 -20.693 -2.621 61 H ASN 25 H ASN 25 -40.200 -17.261 1.052 62 HA ASN 25 HA ASN 25 -39.005 -14.613 0.908 63 HB2 ASN 25 HB1 ASN 25 -40.557 -15.037 2.728 64 HB3 ASN 25 HB2 ASN 25 -39.594 -16.421 3.261 65 HD21 ASN 25 HD21 ASN 25 -38.164 -16.090 4.801 66 HD22 ASN 25 HD22 ASN 25 -37.526 -14.558 5.282 67 H ILE 26 H ILE 26 -36.891 -14.131 1.526 68 HA ILE 26 HA ILE 26 -35.019 -16.007 2.471 69 HB ILE 26 HB ILE 26 -35.221 -17.045 0.287 70 HG12 ILE 26 HG11 ILE 26 -32.643 -15.510 0.142 71 HG13 ILE 26 HG12 ILE 26 -32.941 -16.621 1.489 72 HG21 ILE 26 HG21 ILE 26 -34.397 -14.393 -0.884 73 HG22 ILE 26 HG22 ILE 26 -34.747 -15.878 -1.767 74 HG23 ILE 26 HG23 ILE 26 -36.038 -15.039 -0.908 75 HD11 ILE 26 HD11 ILE 26 -32.758 -17.285 -1.430 76 HD12 ILE 26 HD12 ILE 26 -31.732 -17.848 -0.111 77 HD13 ILE 26 HD13 ILE 26 -33.401 -18.404 -0.229 78 H ARG 27 H ARG 27 -35.595 -13.090 0.589 79 HA ARG 27 HA ARG 27 -33.149 -11.910 1.723 80 HB2 ARG 27 HB1 ARG 27 -34.747 -11.269 -0.754 81 HB3 ARG 27 HB2 ARG 27 -33.552 -10.146 -0.088 82 HG2 ARG 27 HG1 ARG 27 -31.767 -11.442 -0.679 83 HG3 ARG 27 HG2 ARG 27 -32.702 -12.944 -0.598 84 HD2 ARG 27 HD1 ARG 27 -33.985 -12.058 -2.636 85 HD3 ARG 27 HD2 ARG 27 -32.676 -10.876 -2.776 86 HE ARG 27 HE ARG 27 -32.548 -13.686 -3.394 87 HH11 ARG 27 HH11 ARG 27 -30.730 -10.832 -2.574 88 HH12 ARG 27 HH12 ARG 27 -29.255 -11.413 -3.274 89 HH21 ARG 27 HH21 ARG 27 -30.613 -14.460 -4.321 90 HH22 ARG 27 HH22 ARG 27 -29.190 -13.476 -4.269 91 H SER 28 H SER 28 -36.613 -11.542 1.388 92 HA SER 28 HA SER 28 -38.130 -10.190 2.413 93 HB2 SER 28 HB1 SER 28 -36.650 -11.149 4.393 94 HB3 SER 28 HB2 SER 28 -36.158 -9.452 4.536 95 HG SER 28 HG SER 28 -38.091 -8.927 5.229 96 H SER 29 H SER 29 -38.307 -7.866 3.507 97 HA SER 29 HA SER 29 -37.241 -6.050 1.534 98 HB2 SER 29 HB1 SER 29 -39.410 -6.046 3.503 99 HB3 SER 29 HB2 SER 29 -38.550 -4.498 3.419 100 HG SER 29 HG SER 29 -40.301 -5.558 1.667 101 H ALA 30 H ALA 30 -36.029 -4.157 2.000 102 HA ALA 30 HA ALA 30 -34.638 -4.120 4.584 103 HB1 ALA 30 HB1 ALA 30 -33.265 -5.344 2.892 104 HB2 ALA 30 HB2 ALA 30 -33.184 -3.847 1.960 105 HB3 ALA 30 HB3 ALA 30 -32.484 -3.919 3.578 106 H ASP 31 H ASP 31 -34.550 -2.369 1.474 107 HA ASP 31 HA ASP 31 -34.713 -0.158 0.967 108 HB2 ASP 31 HB1 ASP 31 -36.886 -0.682 2.455 109 HB3 ASP 31 HB2 ASP 31 -36.103 0.503 3.511 110 HD2 ASP 31 HD ASP 31 -37.665 1.753 0.109 111 H LEU 32 H LEU 32 -32.344 -0.906 2.134 112 HA LEU 32 HA LEU 32 -31.400 1.598 3.139 113 HB2 LEU 32 HB1 LEU 32 -32.377 -0.113 5.064 114 HB3 LEU 32 HB2 LEU 32 -30.640 -0.471 5.053 115 HG LEU 32 HG LEU 32 -31.226 1.189 6.753 116 HD11 LEU 32 HD11 LEU 32 -29.749 2.861 4.838 117 HD12 LEU 32 HD12 LEU 32 -29.104 1.239 5.089 118 HD13 LEU 32 HD13 LEU 32 -29.309 2.328 6.461 119 HD21 LEU 32 HD21 LEU 32 -32.057 3.359 6.187 120 HD22 LEU 32 HD22 LEU 32 -33.152 2.159 5.500 121 HD23 LEU 32 HD23 LEU 32 -31.993 2.992 4.464 122 H HIS 33 H HIS 33 -29.833 1.654 1.617 123 HA HIS 33 HA HIS 33 -27.797 -0.470 1.732 124 HB2 HIS 33 HB1 HIS 33 -29.428 0.240 -0.485 125 HB3 HIS 33 HB2 HIS 33 -27.785 0.780 -0.845 126 HD1 HIS 33 HD1 HIS 33 -26.013 -1.374 0.121 127 HD2 HIS 33 HD2 HIS 33 -29.687 -2.198 -1.636 128 HE1 HIS 33 HE1 HIS 33 -25.845 -3.742 -0.710 129 HE2 HIS 33 HE2 HIS 33 -28.090 -4.246 -1.784 130 H GLY 34 H GLY 34 -28.314 2.815 0.424 131 HA2 GLY 34 HA2 GLY 34 -25.883 3.686 1.805 132 HA3 GLY 34 HA3 GLY 34 -25.930 3.858 0.057 133 HA1 GLY 34 HA1 GLY 34 -26.738 3.711 2.017 134 H ALA 35 H ALA 35 -25.516 6.143 1.077 135 HA ALA 35 HA ALA 35 -27.954 7.618 0.675 136 HB1 ALA 35 HB1 ALA 35 -26.645 7.566 3.383 137 HB2 ALA 35 HB2 ALA 35 -27.714 8.867 2.858 138 HB3 ALA 35 HB3 ALA 35 -28.325 7.217 2.975 139 H ARG 36 H ARG 36 -24.579 7.732 1.761 140 HA ARG 36 HA ARG 36 -23.756 9.494 -0.258 141 HB2 ARG 36 HB1 ARG 36 -23.257 11.487 1.239 142 HB3 ARG 36 HB2 ARG 36 -24.949 11.252 0.776 143 HG2 ARG 36 HG1 ARG 36 -25.626 10.780 2.887 144 HG3 ARG 36 HG2 ARG 36 -24.089 10.006 3.313 145 HD2 ARG 36 HD1 ARG 36 -24.142 11.980 4.596 146 HD3 ARG 36 HD2 ARG 36 -23.068 12.337 3.236 147 HE ARG 36 HE ARG 36 -25.734 13.097 2.637 148 HH11 ARG 36 HH11 ARG 36 -22.937 14.051 4.479 149 HH12 ARG 36 HH12 ARG 36 -23.336 15.737 4.458 150 HH21 ARG 36 HH21 ARG 36 -26.270 15.315 2.602 151 HH22 ARG 36 HH22 ARG 36 -25.232 16.455 3.391 152 H LYS 37 H LYS 37 -21.509 10.236 0.046 153 HA LYS 37 HA LYS 37 -20.064 8.659 2.069 154 HB2 LYS 37 HB1 LYS 37 -19.841 8.602 -0.861 155 HB3 LYS 37 HB2 LYS 37 -18.293 8.789 -0.021 156 HG2 LYS 37 HG1 LYS 37 -18.724 6.774 1.281 157 HG3 LYS 37 HG2 LYS 37 -20.290 6.589 0.472 158 HD2 LYS 37 HD1 LYS 37 -18.963 6.574 -1.725 159 HD3 LYS 37 HD2 LYS 37 -17.537 6.320 -0.701 160 HE2 LYS 37 HE1 LYS 37 -18.063 4.175 -0.271 161 HE3 LYS 37 HE2 LYS 37 -19.779 4.552 -0.062 162 HZ1 LYS 37 HZ1 LYS 37 -20.225 4.215 -2.257 163 HZ2 LYS 37 HZ2 LYS 37 -18.952 3.118 -2.067 164 HZ3 LYS 37 HZ3 LYS 37 -18.667 4.630 -2.772 165 H GLY 38 H GLY 38 -19.724 11.299 -0.304 166 HA2 GLY 38 HA2 GLY 38 -19.067 13.504 0.273 167 HA3 GLY 38 HA3 GLY 38 -18.368 12.878 1.759 168 HA1 GLY 38 HA1 GLY 38 -18.859 12.874 -0.310 169 H SER 39 H SER 39 -16.240 12.406 1.822 170 HA SER 39 HA SER 39 -14.533 13.388 -0.173 171 HB2 SER 39 HB1 SER 39 -13.354 11.317 1.553 172 HB3 SER 39 HB2 SER 39 -12.899 13.018 1.346 173 HG SER 39 HG SER 39 -14.818 13.493 2.659 174 H GLN 40 H GLN 40 -12.662 11.892 -1.011 175 HA GLN 40 HA GLN 40 -13.964 9.849 -2.626 176 HB2 GLN 40 HB1 GLN 40 -11.709 11.643 -2.936 177 HB3 GLN 40 HB2 GLN 40 -11.264 9.977 -3.340 178 HG2 GLN 40 HG1 GLN 40 -13.494 10.038 -4.725 179 HG3 GLN 40 HG2 GLN 40 -13.221 11.785 -4.660 180 HE21 GLN 40 HE21 GLN 40 -13.233 10.610 -7.066 181 HE22 GLN 40 HE22 GLN 40 -11.638 10.537 -7.726 182 H CYS 41 H CYS 41 -11.234 10.159 -0.385 183 HA CYS 41 HA CYS 41 -11.469 7.310 0.217 184 HB2 CYS 41 HB1 CYS 41 -9.130 6.866 -0.031 185 HB3 CYS 41 HB2 CYS 41 -9.703 7.579 -1.539 186 H LEU 42 H LEU 42 -10.928 6.769 2.304 187 HA LEU 42 HA LEU 42 -10.654 9.008 4.141 188 HB2 LEU 42 HB1 LEU 42 -11.543 6.184 4.316 189 HB3 LEU 42 HB2 LEU 42 -10.795 6.880 5.763 190 HG LEU 42 HG LEU 42 -12.543 8.799 5.373 191 HD11 LEU 42 HD11 LEU 42 -14.536 8.187 4.300 192 HD12 LEU 42 HD12 LEU 42 -14.059 6.493 4.190 193 HD13 LEU 42 HD13 LEU 42 -13.255 7.702 3.190 194 HD21 LEU 42 HD21 LEU 42 -13.366 7.965 7.258 195 HD22 LEU 42 HD22 LEU 42 -12.402 6.513 6.984 196 HD23 LEU 42 HD23 LEU 42 -14.066 6.591 6.402 197 H SER 43 H SER 43 -8.860 6.212 3.033 198 HA SER 43 HA SER 43 -6.420 7.313 4.106 199 HB2 SER 43 HB1 SER 43 -7.096 4.502 4.969 200 HB3 SER 43 HB2 SER 43 -5.837 5.582 5.593 201 HG SER 43 HG SER 43 -8.423 5.338 6.367 202 H ASP 44 H ASP 44 -4.706 5.251 3.826 203 HA ASP 44 HA ASP 44 -4.484 5.005 1.004 204 HB2 ASP 44 HB1 ASP 44 -2.488 3.658 1.471 205 HB3 ASP 44 HB2 ASP 44 -2.511 5.127 2.454 206 HD2 ASP 44 HD ASP 44 -3.293 3.160 5.343 207 H THR 45 H THR 45 -5.843 3.014 3.496 208 HA THR 45 HA THR 45 -5.807 0.539 2.126 209 HB THR 45 HB THR 45 -7.664 -0.092 3.703 210 HG1 THR 45 HG1 THR 45 -8.589 1.966 3.999 211 HG21 THR 45 HG21 THR 45 -5.091 -0.085 4.171 212 HG22 THR 45 HG22 THR 45 -6.224 -0.374 5.491 213 HG23 THR 45 HG23 THR 45 -5.493 1.219 5.287 214 H ASP 46 H ASP 46 -7.830 3.339 1.900 215 HA ASP 46 HA ASP 46 -10.049 2.040 0.643 216 HB2 ASP 46 HB1 ASP 46 -9.717 4.460 1.836 217 HB3 ASP 46 HB2 ASP 46 -9.634 4.919 0.130 218 HD2 ASP 46 HD ASP 46 -12.971 3.492 -0.236 219 H CYS 47 H CYS 47 -7.040 3.402 -0.425 220 HA CYS 47 HA CYS 47 -7.737 3.732 -3.163 221 HB2 CYS 47 HB1 CYS 47 -5.440 4.144 -1.499 222 HB3 CYS 47 HB2 CYS 47 -4.950 3.235 -2.931 223 H ASN 48 H ASN 48 -5.396 1.413 -1.809 224 HA ASN 48 HA ASN 48 -6.636 -0.847 -3.023 225 HB2 ASN 48 HB1 ASN 48 -5.135 0.654 -4.785 226 HB3 ASN 48 HB2 ASN 48 -3.985 -0.575 -4.244 227 HD21 ASN 48 HD21 ASN 48 -3.950 -2.357 -5.389 228 HD22 ASN 48 HD22 ASN 48 -5.261 -3.008 -6.308 229 H THR 49 H THR 49 -4.597 -2.607 -3.228 230 HA THR 49 HA THR 49 -3.823 -2.941 -0.469 231 HB THR 49 HB THR 49 -3.173 -4.690 -2.850 232 HG1 THR 49 HG1 THR 49 -4.957 -5.945 -1.969 233 HG21 THR 49 HG21 THR 49 -2.850 -5.013 0.114 234 HG22 THR 49 HG22 THR 49 -1.688 -5.335 -1.173 235 HG23 THR 49 HG23 THR 49 -3.057 -6.420 -0.929 236 H ARG 50 H ARG 50 -2.352 -1.860 -3.409 237 HA ARG 50 HA ARG 50 0.167 -1.455 -1.960 238 HB2 ARG 50 HB1 ARG 50 0.008 -2.432 -4.821 239 HB3 ARG 50 HB2 ARG 50 1.477 -2.143 -3.878 240 HG2 ARG 50 HG1 ARG 50 0.510 -3.917 -2.253 241 HG3 ARG 50 HG2 ARG 50 -0.509 -4.362 -3.632 242 HD2 ARG 50 HD1 ARG 50 2.333 -4.025 -4.303 243 HD3 ARG 50 HD2 ARG 50 2.001 -5.328 -3.154 244 HE ARG 50 HE ARG 50 0.175 -5.768 -5.093 245 HH11 ARG 50 HH11 ARG 50 3.619 -5.255 -5.143 246 HH12 ARG 50 HH12 ARG 50 3.874 -6.227 -6.554 247 HH21 ARG 50 HH21 ARG 50 0.499 -7.050 -6.951 248 HH22 ARG 50 HH22 ARG 50 2.098 -7.246 -7.583 249 H LYS 51 H LYS 51 -1.727 0.488 -2.233 250 HA LYS 51 HA LYS 51 -0.338 2.396 -3.948 251 HB2 LYS 51 HB1 LYS 51 -3.311 1.845 -4.091 252 HB3 LYS 51 HB2 LYS 51 -2.532 3.272 -4.795 253 HG2 LYS 51 HG1 LYS 51 -1.351 1.989 -6.382 254 HG3 LYS 51 HG2 LYS 51 -1.728 0.476 -5.537 255 HD2 LYS 51 HD1 LYS 51 -3.591 0.229 -6.730 256 HD3 LYS 51 HD2 LYS 51 -4.173 1.809 -6.176 257 HE2 LYS 51 HE1 LYS 51 -3.256 2.940 -8.010 258 HE3 LYS 51 HE2 LYS 51 -2.163 1.601 -8.390 259 HZ1 LYS 51 HZ1 LYS 51 -4.890 2.020 -9.202 260 HZ2 LYS 51 HZ2 LYS 51 -4.599 0.459 -8.622 261 HZ3 LYS 51 HZ3 LYS 51 -3.686 1.066 -9.909 262 H PHE 52 H PHE 52 -0.909 4.641 -3.454 263 HA PHE 52 HA PHE 52 -1.999 4.959 -0.737 264 HB2 PHE 52 HB1 PHE 52 -0.342 6.755 -0.352 265 HB3 PHE 52 HB2 PHE 52 0.416 5.184 -0.618 266 HD1 PHE 52 HD1 PHE 52 1.835 4.770 -2.476 267 HD2 PHE 52 HD2 PHE 52 -0.262 8.459 -2.149 268 HE1 PHE 52 HE1 PHE 52 3.214 5.710 -4.284 269 HE2 PHE 52 HE2 PHE 52 1.113 9.405 -3.957 270 HZ PHE 52 HZ PHE 52 2.854 8.030 -5.026 271 H CYS 53 H CYS 53 -3.028 6.960 -0.285 272 HA CYS 53 HA CYS 53 -4.230 8.160 -2.658 273 HB2 CYS 53 HB1 CYS 53 -5.268 7.383 -0.217 274 HB3 CYS 53 HB2 CYS 53 -5.153 9.136 -0.057 275 H LEU 54 H LEU 54 -2.966 9.723 -3.484 276 HA LEU 54 HA LEU 54 -1.536 11.552 -1.744 277 HB2 LEU 54 HB1 LEU 54 -0.415 10.706 -3.726 278 HB3 LEU 54 HB2 LEU 54 -1.704 11.364 -4.748 279 HG LEU 54 HG LEU 54 -0.704 13.547 -3.301 280 HD11 LEU 54 HD11 LEU 54 1.678 12.515 -4.655 281 HD12 LEU 54 HD12 LEU 54 1.255 11.663 -3.171 282 HD13 LEU 54 HD13 LEU 54 1.525 13.405 -3.141 283 HD21 LEU 54 HD21 LEU 54 -0.292 14.437 -5.407 284 HD22 LEU 54 HD22 LEU 54 -1.555 13.246 -5.717 285 HD23 LEU 54 HD23 LEU 54 0.126 12.869 -6.098 286 H GLN 55 H GLN 55 -2.128 13.582 -1.265 287 HA GLN 55 HA GLN 55 -4.382 14.762 -2.741 288 HB2 GLN 55 HB1 GLN 55 -3.979 14.944 0.252 289 HB3 GLN 55 HB2 GLN 55 -5.332 15.604 -0.681 290 HG2 GLN 55 HG1 GLN 55 -5.804 13.188 -1.384 291 HG3 GLN 55 HG2 GLN 55 -4.711 12.739 -0.067 292 HE21 GLN 55 HE21 GLN 55 -6.226 11.778 1.212 293 HE22 GLN 55 HE22 GLN 55 -7.507 12.640 1.986 294 HA PRO 56 HA PRO 56 -0.905 17.743 -2.820 295 HB2 PRO 56 HB1 PRO 56 -1.554 18.760 -5.279 296 HB3 PRO 56 HB2 PRO 56 -0.600 17.296 -5.053 297 HG2 PRO 56 HG1 PRO 56 -3.533 17.587 -5.607 298 HG3 PRO 56 HG2 PRO 56 -2.337 16.467 -6.358 299 HD2 PRO 56 HD1 PRO 56 -4.078 15.675 -4.432 300 HD3 PRO 56 HD2 PRO 56 -2.444 15.003 -4.580 301 H ARG 57 H ARG 57 -0.905 20.018 -2.663 302 HA ARG 57 HA ARG 57 -3.398 21.122 -1.703 303 HB2 ARG 57 HB1 ARG 57 -2.001 23.130 -1.186 304 HB3 ARG 57 HB2 ARG 57 -1.432 21.634 -0.432 305 HG2 ARG 57 HG1 ARG 57 0.488 21.573 -1.635 306 HG3 ARG 57 HG2 ARG 57 -0.260 22.320 -3.056 307 HD2 ARG 57 HD1 ARG 57 -0.231 24.503 -1.970 308 HD3 ARG 57 HD2 ARG 57 0.438 23.771 -0.506 309 HE ARG 57 HE ARG 57 2.131 23.181 -2.664 310 HH11 ARG 57 HH11 ARG 57 1.104 25.884 -0.726 311 HH12 ARG 57 HH12 ARG 57 2.583 26.763 -0.932 312 HH21 ARG 57 HH21 ARG 57 4.084 24.327 -2.943 313 HH22 ARG 57 HH22 ARG 57 4.277 25.876 -2.194 314 H ASP 58 H ASP 58 -1.412 21.316 -4.547 315 HA ASP 58 HA ASP 58 -2.852 23.635 -5.567 316 HB2 ASP 58 HB1 ASP 58 -0.295 23.070 -5.844 317 HB3 ASP 58 HB2 ASP 58 -0.874 22.081 -7.192 318 HD2 ASP 58 HD ASP 58 -0.479 25.046 -8.942 319 H GLU 59 H GLU 59 -2.876 20.195 -5.801 320 HA GLU 59 HA GLU 59 -4.820 20.360 -8.010 321 HB2 GLU 59 HB1 GLU 59 -2.460 18.803 -7.764 322 HB3 GLU 59 HB2 GLU 59 -3.836 17.694 -7.663 323 HG2 GLU 59 HG1 GLU 59 -4.006 17.733 -9.865 324 HG3 GLU 59 HG2 GLU 59 -4.405 19.454 -9.772 325 HE2 GLU 59 HE GLU 59 -0.631 18.525 -10.623 326 H LYS 60 H LYS 60 -6.117 18.089 -7.953 327 HA LYS 60 HA LYS 60 -7.505 18.150 -5.386 328 HB2 LYS 60 HB1 LYS 60 -9.220 16.767 -6.601 329 HB3 LYS 60 HB2 LYS 60 -8.949 18.383 -7.271 330 HG2 LYS 60 HG1 LYS 60 -8.194 17.595 -9.231 331 HG3 LYS 60 HG2 LYS 60 -7.278 16.290 -8.458 332 HD2 LYS 60 HD1 LYS 60 -9.744 15.373 -7.983 333 HD3 LYS 60 HD2 LYS 60 -10.077 16.323 -9.443 334 HE2 LYS 60 HE1 LYS 60 -7.675 14.597 -9.556 335 HE3 LYS 60 HE2 LYS 60 -9.232 13.760 -9.476 336 HZ1 LYS 60 HZ1 LYS 60 -8.296 15.670 -11.533 337 HZ2 LYS 60 HZ2 LYS 60 -9.931 15.266 -11.364 338 HZ3 LYS 60 HZ3 LYS 60 -8.798 14.067 -11.741 339 HA PRO 61 HA PRO 61 -6.011 14.285 -3.937 340 HB2 PRO 61 HB1 PRO 61 -8.209 13.310 -2.626 341 HB3 PRO 61 HB2 PRO 61 -7.238 14.656 -2.030 342 HG2 PRO 61 HG1 PRO 61 -9.805 14.702 -3.581 343 HG3 PRO 61 HG2 PRO 61 -9.333 15.662 -2.128 344 HD2 PRO 61 HD1 PRO 61 -9.278 16.686 -4.641 345 HD3 PRO 61 HD2 PRO 61 -8.114 17.157 -3.390 346 H PHE 62 H PHE 62 -5.684 12.359 -4.857 347 HA PHE 62 HA PHE 62 -7.871 10.851 -6.004 348 HB2 PHE 62 HB1 PHE 62 -7.023 10.696 -8.226 349 HB3 PHE 62 HB2 PHE 62 -7.090 12.413 -7.823 350 HD1 PHE 62 HD1 PHE 62 -4.997 9.726 -8.899 351 HD2 PHE 62 HD2 PHE 62 -4.964 13.573 -7.077 352 HE1 PHE 62 HE1 PHE 62 -2.617 9.973 -9.472 353 HE2 PHE 62 HE2 PHE 62 -2.584 13.827 -7.647 354 HZ PHE 62 HZ PHE 62 -1.408 12.026 -8.847 355 H CYS 63 H CYS 63 -6.789 8.812 -7.171 356 HA CYS 63 HA CYS 63 -5.068 7.640 -5.131 357 HB2 CYS 63 HB1 CYS 63 -7.248 6.607 -6.163 358 HB3 CYS 63 HB2 CYS 63 -6.164 6.114 -7.465 359 H ALA 64 H ALA 64 -2.955 7.412 -5.402 360 HA ALA 64 HA ALA 64 -1.857 7.640 -8.124 361 HB1 ALA 64 HB1 ALA 64 -0.618 9.247 -7.206 362 HB2 ALA 64 HB2 ALA 64 -1.074 8.772 -5.570 363 HB3 ALA 64 HB3 ALA 64 0.262 7.959 -6.384 364 H THR 65 H THR 65 -0.305 6.192 -8.847 365 HA THR 65 HA THR 65 -0.414 3.576 -7.621 366 HB THR 65 HB THR 65 0.974 2.875 -9.584 367 HG1 THR 65 HG1 THR 65 1.079 4.545 -11.282 368 HG21 THR 65 HG21 THR 65 -1.710 4.097 -9.726 369 HG22 THR 65 HG22 THR 65 -1.181 2.469 -10.148 370 HG23 THR 65 HG23 THR 65 -0.916 3.802 -11.273 371 H CYS 66 H CYS 66 1.659 2.282 -7.489 372 HA CYS 66 HA CYS 66 3.346 3.322 -5.560 373 HB2 CYS 66 HB1 CYS 66 2.993 0.871 -6.710 374 HB3 CYS 66 HB2 CYS 66 4.583 1.315 -7.330 375 H ARG 67 H ARG 67 5.561 3.960 -5.611 376 HA ARG 67 HA ARG 67 6.245 5.420 -8.063 377 HB2 ARG 67 HB1 ARG 67 7.271 5.729 -5.232 378 HB3 ARG 67 HB2 ARG 67 7.786 6.708 -6.612 379 HG2 ARG 67 HG1 ARG 67 4.877 6.575 -5.972 380 HG3 ARG 67 HG2 ARG 67 5.939 7.559 -4.952 381 HD2 ARG 67 HD1 ARG 67 6.297 9.109 -6.567 382 HD3 ARG 67 HD2 ARG 67 6.308 7.895 -7.854 383 HE ARG 67 HE ARG 67 3.696 8.264 -6.774 384 HH11 ARG 67 HH11 ARG 67 6.043 9.626 -8.955 385 HH12 ARG 67 HH12 ARG 67 4.860 10.423 -9.939 386 HH21 ARG 67 HH21 ARG 67 2.128 9.309 -8.061 387 HH22 ARG 67 HH22 ARG 67 2.634 10.242 -9.429 388 H GLY 68 H GLY 68 7.715 4.557 -9.364 389 HA2 GLY 68 HA2 GLY 68 9.238 2.273 -8.707 390 HA3 GLY 68 HA3 GLY 68 9.464 3.282 -10.128 391 HA1 GLY 68 HA1 GLY 68 9.219 2.867 -8.058 392 H LEU 69 H LEU 69 11.686 2.251 -9.138 393 HA LEU 69 HA LEU 69 12.947 3.671 -7.060 394 HB2 LEU 69 HB1 LEU 69 14.096 2.176 -9.420 395 HB3 LEU 69 HB2 LEU 69 15.057 2.799 -8.067 396 HG LEU 69 HG LEU 69 12.961 0.632 -7.950 397 HD11 LEU 69 HD11 LEU 69 14.748 -0.845 -7.483 398 HD12 LEU 69 HD12 LEU 69 15.895 0.482 -7.303 399 HD13 LEU 69 HD13 LEU 69 15.237 0.095 -8.893 400 HD21 LEU 69 HD21 LEU 69 12.662 1.559 -5.886 401 HD22 LEU 69 HD22 LEU 69 14.288 2.239 -5.829 402 HD23 LEU 69 HD23 LEU 69 14.042 0.515 -5.542 403 H ARG 70 H ARG 70 12.405 4.417 -10.394 404 HA ARG 70 HA ARG 70 14.321 6.628 -10.320 405 HB2 ARG 70 HB1 ARG 70 12.820 5.207 -12.491 406 HB3 ARG 70 HB2 ARG 70 13.405 6.854 -12.773 407 HG2 ARG 70 HG1 ARG 70 15.652 5.733 -11.790 408 HG3 ARG 70 HG2 ARG 70 14.900 4.328 -12.564 409 HD2 ARG 70 HD1 ARG 70 14.543 6.045 -14.553 410 HD3 ARG 70 HD2 ARG 70 15.917 6.848 -13.777 411 HE ARG 70 HE ARG 70 17.268 5.216 -14.617 412 HH11 ARG 70 HH11 ARG 70 14.001 4.015 -14.536 413 HH12 ARG 70 HH12 ARG 70 14.390 2.527 -15.333 414 HH21 ARG 70 HH21 ARG 70 17.791 3.261 -15.668 415 HH22 ARG 70 HH22 ARG 70 16.546 2.099 -15.977 416 H ARG 71 H ARG 71 11.475 6.313 -9.055 417 HA ARG 71 HA ARG 71 10.278 8.750 -10.169 418 HB2 ARG 71 HB1 ARG 71 9.180 6.520 -8.460 419 HB3 ARG 71 HB2 ARG 71 8.308 8.041 -8.701 420 HG2 ARG 71 HG1 ARG 71 9.151 6.135 -10.888 421 HG3 ARG 71 HG2 ARG 71 7.520 6.300 -10.218 422 HD2 ARG 71 HD1 ARG 71 7.593 8.734 -10.904 423 HD3 ARG 71 HD2 ARG 71 9.082 8.346 -11.778 424 HE ARG 71 HE ARG 71 6.992 6.578 -12.520 425 HH11 ARG 71 HH11 ARG 71 8.144 9.832 -12.965 426 HH12 ARG 71 HH12 ARG 71 7.413 10.016 -14.525 427 HH21 ARG 71 HH21 ARG 71 6.025 6.807 -14.572 428 HH22 ARG 71 HH22 ARG 71 6.207 8.295 -15.438 429 H ARG 72 H ARG 72 9.959 10.565 -8.960 430 HA ARG 72 HA ARG 72 11.613 10.924 -6.664 431 HB2 ARG 72 HB1 ARG 72 9.497 12.734 -7.857 432 HB3 ARG 72 HB2 ARG 72 10.681 13.209 -6.629 433 HG2 ARG 72 HG1 ARG 72 12.278 12.177 -8.607 434 HG3 ARG 72 HG2 ARG 72 10.978 12.965 -9.517 435 HD2 ARG 72 HD1 ARG 72 12.278 14.414 -7.236 436 HD3 ARG 72 HD2 ARG 72 13.089 14.326 -8.806 437 HE ARG 72 HE ARG 72 10.469 15.156 -9.262 438 HH11 ARG 72 HH11 ARG 72 13.346 16.308 -7.675 439 HH12 ARG 72 HH12 ARG 72 12.971 17.981 -7.926 440 HH21 ARG 72 HH21 ARG 72 9.965 17.355 -9.597 441 HH22 ARG 72 HH22 ARG 72 11.047 18.575 -9.018 442 H CYS 73 H CYS 73 10.912 11.616 -4.558 443 HA CYS 73 HA CYS 73 8.154 10.991 -3.828 444 HB2 CYS 73 HB1 CYS 73 9.019 9.658 -1.848 445 HB3 CYS 73 HB2 CYS 73 9.139 8.874 -3.425 446 H GLN 74 H GLN 74 7.779 11.525 -1.451 447 HA GLN 74 HA GLN 74 9.442 13.816 -0.645 448 HB2 GLN 74 HB1 GLN 74 6.560 13.684 -1.203 449 HB3 GLN 74 HB2 GLN 74 6.963 14.439 0.347 450 HG2 GLN 74 HG1 GLN 74 8.546 15.337 -1.981 451 HG3 GLN 74 HG2 GLN 74 6.832 15.778 -1.972 452 HE21 GLN 74 HE21 GLN 74 6.144 16.476 0.392 453 HE22 GLN 74 HE22 GLN 74 7.151 17.701 1.075 454 H ARG 75 H ARG 75 7.187 11.295 0.381 455 HA ARG 75 HA ARG 75 8.270 11.525 3.111 456 HB2 ARG 75 HB1 ARG 75 5.634 11.593 2.290 457 HB3 ARG 75 HB2 ARG 75 5.850 9.912 2.802 458 HG2 ARG 75 HG1 ARG 75 6.816 10.812 4.962 459 HG3 ARG 75 HG2 ARG 75 6.227 12.399 4.440 460 HD2 ARG 75 HD1 ARG 75 3.945 11.247 4.130 461 HD3 ARG 75 HD2 ARG 75 4.641 9.938 5.096 462 HE ARG 75 HE ARG 75 4.961 12.475 6.360 463 HH11 ARG 75 HH11 ARG 75 2.691 9.903 5.769 464 HH12 ARG 75 HH12 ARG 75 1.753 10.227 7.189 465 HH21 ARG 75 HH21 ARG 75 3.734 12.913 8.232 466 HH22 ARG 75 HH22 ARG 75 2.347 11.941 8.588 467 H ASP 76 H ASP 76 8.661 9.563 4.283 468 HA ASP 76 HA ASP 76 10.058 7.623 2.800 469 HB2 ASP 76 HB1 ASP 76 10.019 6.329 5.003 470 HB3 ASP 76 HB2 ASP 76 10.747 7.941 5.038 471 HD2 ASP 76 HD ASP 76 7.448 7.314 7.108 472 H ALA 77 H ALA 77 6.888 7.501 4.399 473 HA ALA 77 HA ALA 77 6.333 4.829 3.552 474 HB1 ALA 77 HB1 ALA 77 4.322 6.875 4.463 475 HB2 ALA 77 HB2 ALA 77 4.194 5.117 4.537 476 HB3 ALA 77 HB3 ALA 77 5.348 5.961 5.570 477 H MET 78 H MET 78 5.905 7.981 2.174 478 HA MET 78 HA MET 78 3.825 7.495 0.377 479 HB2 MET 78 HB1 MET 78 6.030 9.447 0.622 480 HB3 MET 78 HB2 MET 78 5.385 9.232 -1.012 481 HG2 MET 78 HG1 MET 78 3.313 9.519 1.037 482 HG3 MET 78 HG2 MET 78 4.380 10.917 0.886 483 HE1 MET 78 HE1 MET 78 5.190 11.696 -1.301 484 HE2 MET 78 HE2 MET 78 4.750 10.844 -2.782 485 HE3 MET 78 HE3 MET 78 3.974 12.379 -2.383 486 H CYS 79 H CYS 79 7.160 6.527 0.315 487 HA CYS 79 HA CYS 79 7.288 5.909 -2.466 488 HB2 CYS 79 HB1 CYS 79 9.048 5.847 -0.198 489 HB3 CYS 79 HB2 CYS 79 9.133 4.296 -1.037 490 H CYS 80 H CYS 80 8.161 3.434 -2.817 491 HA CYS 80 HA CYS 80 5.789 1.857 -2.573 492 HB2 CYS 80 HB1 CYS 80 8.495 1.494 -3.792 493 HB3 CYS 80 HB2 CYS 80 7.502 0.062 -3.510 494 HA PRO 81 HA PRO 81 6.550 -0.456 1.075 495 HB2 PRO 81 HB1 PRO 81 5.691 -2.962 0.376 496 HB3 PRO 81 HB2 PRO 81 4.605 -1.600 0.643 497 HG2 PRO 81 HG1 PRO 81 5.703 -2.681 -1.930 498 HG3 PRO 81 HG2 PRO 81 4.015 -2.188 -1.529 499 HD2 PRO 81 HD1 PRO 81 5.705 -0.609 -2.950 500 HD3 PRO 81 HD2 PRO 81 4.492 0.047 -1.838 501 H GLY 82 H GLY 82 8.532 -0.921 1.795 502 HA2 GLY 82 HA2 GLY 82 10.290 -2.468 2.155 503 HA3 GLY 82 HA3 GLY 82 9.983 -3.149 0.563 504 HA1 GLY 82 HA1 GLY 82 10.179 -1.606 2.012 505 H THR 83 H THR 83 10.095 0.274 0.774 506 HA THR 83 HA THR 83 12.906 0.321 -0.073 507 HB THR 83 HB THR 83 11.855 2.282 -1.649 508 HG1 THR 83 HG1 THR 83 10.075 0.109 -1.999 509 HG21 THR 83 HG21 THR 83 13.086 1.094 -3.075 510 HG22 THR 83 HG22 THR 83 11.791 -0.098 -3.186 511 HG23 THR 83 HG23 THR 83 13.060 -0.283 -1.974 512 H LEU 84 H LEU 84 13.632 2.716 -0.293 513 HA LEU 84 HA LEU 84 12.422 4.305 1.869 514 HB2 LEU 84 HB1 LEU 84 15.136 3.259 1.617 515 HB3 LEU 84 HB2 LEU 84 15.087 5.012 1.870 516 HG LEU 84 HG LEU 84 13.617 3.116 3.679 517 HD11 LEU 84 HD11 LEU 84 16.157 2.681 3.444 518 HD12 LEU 84 HD12 LEU 84 15.458 2.849 5.055 519 HD13 LEU 84 HD13 LEU 84 16.329 4.199 4.327 520 HD21 LEU 84 HD21 LEU 84 13.223 5.667 3.559 521 HD22 LEU 84 HD22 LEU 84 14.785 5.785 4.370 522 HD23 LEU 84 HD23 LEU 84 13.458 4.913 5.138 523 H CYS 85 H CYS 85 12.999 6.626 1.768 524 HA CYS 85 HA CYS 85 13.113 7.505 -1.034 525 HB2 CYS 85 HB1 CYS 85 11.097 8.091 0.352 526 HB3 CYS 85 HB2 CYS 85 12.154 9.077 1.363 527 H VAL 86 H VAL 86 15.130 8.011 -1.604 528 HA VAL 86 HA VAL 86 16.699 9.706 0.228 529 HB VAL 86 HB VAL 86 17.808 7.674 -1.712 530 HG11 VAL 86 HG11 VAL 86 19.781 8.341 0.086 531 HG12 VAL 86 HG12 VAL 86 19.640 8.947 -1.565 532 HG13 VAL 86 HG13 VAL 86 18.983 9.883 -0.222 533 HG21 VAL 86 HG21 VAL 86 17.547 7.597 1.290 534 HG22 VAL 86 HG22 VAL 86 16.765 6.527 0.126 535 HG23 VAL 86 HG23 VAL 86 18.515 6.467 0.342 536 H ASN 87 H ASN 87 17.592 11.526 -0.594 537 HA ASN 87 HA ASN 87 17.890 13.284 -2.008 538 HB2 ASN 87 HB1 ASN 87 18.477 10.914 -3.767 539 HB3 ASN 87 HB2 ASN 87 18.533 12.555 -4.423 540 HD21 ASN 87 HD21 ASN 87 20.515 13.293 -4.529 541 HD22 ASN 87 HD22 ASN 87 21.768 13.032 -3.368 542 H ASP 88 H ASP 88 15.201 12.417 -1.589 543 HA ASP 88 HA ASP 88 13.100 12.870 -2.336 544 HB2 ASP 88 HB1 ASP 88 14.753 14.850 -3.462 545 HB3 ASP 88 HB2 ASP 88 13.701 14.297 -4.773 546 HD2 ASP 88 HD ASP 88 10.962 15.862 -3.433 547 H VAL 89 H VAL 89 14.670 10.558 -3.343 548 HA VAL 89 HA VAL 89 12.862 9.854 -5.526 549 HB VAL 89 HB VAL 89 15.859 9.517 -5.726 550 HG11 VAL 89 HG11 VAL 89 15.394 8.569 -7.941 551 HG12 VAL 89 HG12 VAL 89 14.676 7.602 -6.652 552 HG13 VAL 89 HG13 VAL 89 13.664 8.676 -7.618 553 HG21 VAL 89 HG21 VAL 89 13.905 11.358 -7.062 554 HG22 VAL 89 HG22 VAL 89 15.438 11.745 -6.280 555 HG23 VAL 89 HG23 VAL 89 15.427 10.921 -7.839 556 H CYS 90 H CYS 90 12.328 7.703 -5.602 557 HA CYS 90 HA CYS 90 12.651 6.183 -3.250 558 HB2 CYS 90 HB1 CYS 90 11.031 6.087 -5.522 559 HB3 CYS 90 HB2 CYS 90 11.952 4.582 -5.576 560 H THR 91 H THR 91 13.928 4.443 -2.759 561 HA THR 91 HA THR 91 15.780 3.388 -4.731 562 HB THR 91 HB THR 91 16.943 5.376 -3.766 563 HG1 THR 91 HG1 THR 91 18.591 4.146 -4.240 564 HG21 THR 91 HG21 THR 91 17.773 5.225 -1.453 565 HG22 THR 91 HG22 THR 91 16.809 3.768 -1.212 566 HG23 THR 91 HG23 THR 91 16.013 5.312 -1.516 567 H THR 92 H THR 92 16.684 1.391 -4.155 568 HA THR 92 HA THR 92 15.096 -0.248 -2.514 569 HB THR 92 HB THR 92 16.877 -1.961 -2.819 570 HG1 THR 92 HG1 THR 92 18.816 -1.283 -3.293 571 HG21 THR 92 HG21 THR 92 15.150 -1.739 -4.506 572 HG22 THR 92 HG22 THR 92 16.694 -2.087 -5.283 573 HG23 THR 92 HG23 THR 92 16.051 -0.445 -5.297 574 H MET 93 H MET 93 15.591 -1.318 -0.551 575 HA MET 93 HA MET 93 16.682 0.317 1.453 576 HB2 MET 93 HB1 MET 93 15.042 -1.783 1.504 577 HB3 MET 93 HB2 MET 93 16.551 -2.625 1.889 578 HG2 MET 93 HG1 MET 93 16.895 -1.322 3.848 579 HG3 MET 93 HG2 MET 93 15.596 -0.214 3.400 580 HE1 MET 93 HE1 MET 93 12.386 -1.889 4.408 581 HE2 MET 93 HE2 MET 93 13.258 -0.401 4.036 582 HE3 MET 93 HE3 MET 93 13.010 -1.615 2.780 583 H GLU 94 H GLU 94 18.107 -2.102 -0.600 584 HA GLU 94 HA GLU 94 20.459 -2.518 0.959 585 HB2 GLU 94 HB1 GLU 94 20.193 -2.948 -2.018 586 HB3 GLU 94 HB2 GLU 94 21.284 -3.769 -0.891 587 HG2 GLU 94 HG1 GLU 94 18.824 -4.348 0.169 588 HG3 GLU 94 HG2 GLU 94 18.508 -4.349 -1.572 589 HE2 GLU 94 HE GLU 94 21.123 -7.045 -0.254 590 H ASP 95 H ASP 95 19.511 -0.265 -1.540 591 HA ASP 95 HA ASP 95 22.143 0.717 -2.066 592 HB2 ASP 95 HB1 ASP 95 19.395 1.329 -2.923 593 HB3 ASP 95 HB2 ASP 95 20.462 2.738 -2.848 594 HD2 ASP 95 HD ASP 95 20.907 0.233 -5.798 595 H ALA 96 H ALA 96 19.469 1.727 0.006 596 HA ALA 96 HA ALA 96 20.866 4.080 0.929 597 HB1 ALA 96 HB1 ALA 96 18.226 3.386 0.800 598 HB2 ALA 96 HB2 ALA 96 18.581 3.190 2.517 599 HB3 ALA 96 HB3 ALA 96 18.882 4.737 1.725 600 H THR 97 H THR 97 22.592 3.782 2.191 601 HA THR 97 HA THR 97 22.258 2.247 4.650 602 HB THR 97 HB THR 97 24.261 0.981 4.424 603 HG1 THR 97 HG1 THR 97 25.823 1.689 3.195 604 HG21 THR 97 HG21 THR 97 23.762 -0.473 2.587 605 HG22 THR 97 HG22 THR 97 22.904 0.812 1.734 606 HG23 THR 97 HG23 THR 97 22.232 0.136 3.217 607 H GLU 98 H GLU 98 24.804 2.403 5.641 608 HA GLU 98 HA GLU 98 25.292 5.308 5.734 609 HB2 GLU 98 HB1 GLU 98 25.389 3.225 7.913 610 HB3 GLU 98 HB2 GLU 98 26.169 4.805 8.083 611 HG2 GLU 98 HG1 GLU 98 23.247 4.502 7.425 612 HG3 GLU 98 HG2 GLU 98 23.862 4.566 9.083 613 HE2 GLU 98 HE GLU 98 24.531 7.971 8.860 614 H ASN 99 H ASN 99 27.435 6.027 5.915 615 HA ASN 99 HA ASN 99 29.381 4.174 4.786 616 HB2 ASN 99 HB1 ASN 99 29.055 6.441 3.798 617 HB3 ASN 99 HB2 ASN 99 29.651 7.142 5.306 618 HD21 ASN 99 HD21 ASN 99 30.503 5.340 2.461 619 HD22 ASN 99 HD22 ASN 99 32.214 5.523 2.612 620 H LEU 100 H LEU 100 30.219 2.903 6.354 621 HA LEU 100 HA LEU 100 32.031 4.080 8.228 622 HB2 LEU 100 HB1 LEU 100 29.706 4.236 9.298 623 HB3 LEU 100 HB2 LEU 100 29.803 2.472 9.439 624 HG LEU 100 HG LEU 100 32.032 2.955 10.694 625 HD11 LEU 100 HD11 LEU 100 31.987 5.072 11.933 626 HD12 LEU 100 HD12 LEU 100 30.598 5.591 10.979 627 HD13 LEU 100 HD13 LEU 100 32.155 5.323 10.196 628 HD21 LEU 100 HD21 LEU 100 29.787 3.819 12.380 629 HD22 LEU 100 HD22 LEU 100 30.898 2.464 12.573 630 HD23 LEU 100 HD23 LEU 100 29.518 2.325 11.482 631 H TYR 101 H TYR 101 33.609 2.668 8.814 632 HA TYR 101 HA TYR 101 33.199 -0.193 8.518 633 HB2 TYR 101 HB1 TYR 101 34.975 -0.551 6.952 634 HB3 TYR 101 HB2 TYR 101 33.884 0.649 6.257 635 HD1 TYR 101 HD1 TYR 101 37.234 0.063 7.567 636 HD2 TYR 101 HD2 TYR 101 34.544 3.009 6.089 637 HE1 TYR 101 HE1 TYR 101 39.117 1.615 7.253 638 HE2 TYR 101 HE2 TYR 101 36.417 4.568 5.770 639 HH TYR 101 HH TYR 101 39.301 3.939 5.438 640 H PHE 102 H PHE 102 34.406 -1.351 9.914 641 HA PHE 102 HA PHE 102 36.375 0.133 11.520 642 HB2 PHE 102 HB1 PHE 102 34.357 -1.956 12.159 643 HB3 PHE 102 HB2 PHE 102 35.887 -2.035 13.036 644 HD1 PHE 102 HD1 PHE 102 33.791 0.846 11.931 645 HD2 PHE 102 HD2 PHE 102 35.597 -1.242 15.171 646 HE1 PHE 102 HE1 PHE 102 33.016 2.591 13.483 647 HE2 PHE 102 HE2 PHE 102 34.825 0.499 16.727 648 HZ PHE 102 HZ PHE 102 33.532 2.418 15.885 649 H GLN 103 H GLN 103 35.819 -3.336 10.966 650 HA GLN 103 HA GLN 103 38.171 -3.755 9.454 651 HB2 GLN 103 HB1 GLN 103 39.493 -4.982 11.148 652 HB3 GLN 103 HB2 GLN 103 39.334 -3.257 11.517 653 HG2 GLN 103 HG1 GLN 103 37.703 -3.677 13.208 654 HG3 GLN 103 HG2 GLN 103 37.596 -5.380 12.744 655 HE21 GLN 103 HE21 GLN 103 38.321 -6.449 14.459 656 HE22 GLN 103 HE22 GLN 103 39.848 -6.191 15.227 657 H SER 104 H SER 104 38.736 -6.173 9.404 658 HA SER 104 HA SER 104 36.911 -8.112 10.295 659 HB2 SER 104 HB1 SER 104 36.158 -8.522 7.720 660 HB3 SER 104 HB2 SER 104 35.189 -7.615 8.895 661 HG SER 104 HG SER 104 35.428 -5.951 7.655 662 H LEU 105 H LEU 105 38.556 -9.498 10.623 663 HA LEU 105 HA LEU 105 39.749 -10.752 8.314 664 HB2 LEU 105 HB1 LEU 105 41.149 -8.669 9.151 665 HB3 LEU 105 HB2 LEU 105 41.708 -9.839 10.360 666 HG LEU 105 HG LEU 105 42.292 -11.324 8.327 667 HD11 LEU 105 HD11 LEU 105 41.981 -8.624 7.031 668 HD12 LEU 105 HD12 LEU 105 41.191 -10.137 6.585 669 HD13 LEU 105 HD13 LEU 105 42.925 -9.942 6.337 670 HD21 LEU 105 HD21 LEU 105 43.705 -9.006 9.478 671 HD22 LEU 105 HD22 LEU 105 44.375 -9.658 7.983 672 HD23 LEU 105 HD23 LEU 105 44.181 -10.702 9.392 673 H GLU 106 H GLU 106 40.345 -12.845 8.700 674 HA GLU 106 HA GLU 106 40.666 -13.825 11.400 675 HB2 GLU 106 HB1 GLU 106 38.111 -13.765 10.518 676 HB3 GLU 106 HB2 GLU 106 38.619 -15.346 9.903 677 HG2 GLU 106 HG1 GLU 106 38.251 -16.227 11.895 678 HG3 GLU 106 HG2 GLU 106 39.531 -15.199 12.556 679 HE2 GLU 106 HE GLU 106 37.265 -13.106 14.097 680 H HIS 107 H HIS 107 42.440 -15.014 11.213 681 HA HIS 107 HA HIS 107 42.736 -16.735 8.839 682 HB2 HIS 107 HB1 HIS 107 45.182 -16.601 9.224 683 HB3 HIS 107 HB2 HIS 107 44.455 -15.031 8.870 684 HD1 HIS 107 HD1 HIS 107 44.458 -13.255 10.725 685 HD2 HIS 107 HD2 HIS 107 46.166 -16.868 11.861 686 HE1 HIS 107 HE1 HIS 107 45.629 -12.791 12.902 687 HE2 HIS 107 HE2 HIS 107 46.672 -14.999 13.597 688 H HIS 108 H HIS 108 43.113 -16.503 12.331 689 HA HIS 108 HA HIS 108 44.188 -19.050 12.802 690 HB2 HIS 108 HB1 HIS 108 42.677 -17.050 14.429 691 HB3 HIS 108 HB2 HIS 108 42.861 -18.683 15.076 692 HD1 HIS 108 HD1 HIS 108 44.243 -15.979 16.155 693 HD2 HIS 108 HD2 HIS 108 46.041 -19.029 13.981 694 HE1 HIS 108 HE1 HIS 108 46.697 -15.822 16.680 695 HE2 HIS 108 HE2 HIS 108 47.797 -17.686 15.351 696 H HIS 109 H HIS 109 43.351 -21.026 12.675 697 HA HIS 109 HA HIS 109 40.502 -21.457 13.037 698 HB2 HIS 109 HB1 HIS 109 41.334 -21.041 10.493 699 HB3 HIS 109 HB2 HIS 109 41.578 -22.786 10.621 700 HD1 HIS 109 HD1 HIS 109 38.724 -20.552 11.804 701 HD2 HIS 109 HD2 HIS 109 39.407 -23.985 9.566 702 HE1 HIS 109 HE1 HIS 109 36.447 -21.371 11.118 703 HE2 HIS 109 HE2 HIS 109 36.864 -23.468 9.749 704 H HIS 110 H HIS 110 42.941 -22.174 14.459 705 HA HIS 110 HA HIS 110 42.350 -24.909 14.957 706 HB2 HIS 110 HB1 HIS 110 44.325 -24.357 12.949 707 HB3 HIS 110 HB2 HIS 110 45.115 -25.090 14.348 708 HD1 HIS 110 HD1 HIS 110 43.326 -27.233 15.266 709 HD2 HIS 110 HD2 HIS 110 43.768 -26.368 11.226 710 HE1 HIS 110 HE1 HIS 110 42.632 -29.323 14.051 711 HE2 HIS 110 HE2 HIS 110 42.900 -28.794 11.581 712 H HIS 111 H HIS 111 43.161 -25.594 16.910 713 HA HIS 111 HA HIS 111 45.294 -24.199 18.237 714 HB2 HIS 111 HB1 HIS 111 42.891 -22.971 18.487 715 HB3 HIS 111 HB2 HIS 111 42.814 -24.093 19.849 716 HD1 HIS 111 HD1 HIS 111 43.229 -20.850 19.844 717 HD2 HIS 111 HD2 HIS 111 46.012 -23.798 20.754 718 HE1 HIS 111 HE1 HIS 111 44.945 -19.728 21.299 719 HE2 HIS 111 HE2 HIS 111 46.645 -21.529 21.858 720 H HIS 112 H HIS 112 44.794 -26.893 17.468 721 HA HIS 112 HA HIS 112 45.475 -28.225 19.868 722 HB2 HIS 112 HB1 HIS 112 42.859 -27.865 19.902 723 HB3 HIS 112 HB2 HIS 112 42.874 -29.256 18.813 724 HD1 HIS 112 HD1 HIS 112 42.081 -31.127 20.248 725 HD2 HIS 112 HD2 HIS 112 45.042 -28.878 22.099 726 HE1 HIS 112 HE1 HIS 112 42.624 -32.352 22.376 727 HE2 HIS 112 HE2 HIS 112 44.435 -30.978 23.508 Start of MODEL 66 1 H1 MET 18 H MET 18 -30.728 28.840 49.915 2 HA MET 18 HA MET 18 -30.884 26.811 51.302 3 HB2 MET 18 HB1 MET 18 -33.116 26.363 49.945 4 HB3 MET 18 HB2 MET 18 -32.032 25.383 48.946 5 HG2 MET 18 HG1 MET 18 -32.236 23.713 50.383 6 HG3 MET 18 HG2 MET 18 -31.458 24.717 51.611 7 HE1 MET 18 HE1 MET 18 -34.008 25.372 54.145 8 HE2 MET 18 HE2 MET 18 -32.781 24.123 53.928 9 HE3 MET 18 HE3 MET 18 -32.434 25.791 53.465 10 H LEU 19 H LEU 19 -30.462 26.751 47.766 11 HA LEU 19 HA LEU 19 -27.679 25.953 48.167 12 HB2 LEU 19 HB1 LEU 19 -29.437 24.018 47.638 13 HB3 LEU 19 HB2 LEU 19 -29.152 24.587 45.984 14 HG LEU 19 HG LEU 19 -26.601 24.275 47.004 15 HD11 LEU 19 HD11 LEU 19 -27.715 21.650 47.616 16 HD12 LEU 19 HD12 LEU 19 -28.182 22.901 48.768 17 HD13 LEU 19 HD13 LEU 19 -26.476 22.582 48.455 18 HD21 LEU 19 HD21 LEU 19 -27.024 23.662 44.801 19 HD22 LEU 19 HD22 LEU 19 -28.374 22.617 45.247 20 HD23 LEU 19 HD23 LEU 19 -26.718 22.119 45.600 21 H VAL 20 H VAL 20 -26.334 26.297 46.278 22 HA VAL 20 HA VAL 20 -27.312 28.551 44.683 23 HB VAL 20 HB VAL 20 -24.476 27.541 44.917 24 HG11 VAL 20 HG11 VAL 20 -25.709 29.437 43.214 25 HG12 VAL 20 HG12 VAL 20 -24.692 30.321 44.353 26 HG13 VAL 20 HG13 VAL 20 -23.996 29.042 43.357 27 HG21 VAL 20 HG21 VAL 20 -26.037 29.464 46.593 28 HG22 VAL 20 HG22 VAL 20 -24.917 28.196 47.093 29 HG23 VAL 20 HG23 VAL 20 -24.300 29.685 46.376 30 H LEU 21 H LEU 21 -27.538 28.479 42.517 31 HA LEU 21 HA LEU 21 -27.404 25.896 41.232 32 HB2 LEU 21 HB1 LEU 21 -28.750 28.422 40.803 33 HB3 LEU 21 HB2 LEU 21 -28.006 27.825 39.308 34 HG LEU 21 HG LEU 21 -30.390 27.177 39.597 35 HD11 LEU 21 HD11 LEU 21 -29.983 24.724 39.128 36 HD12 LEU 21 HD12 LEU 21 -28.273 25.053 39.406 37 HD13 LEU 21 HD13 LEU 21 -29.127 25.872 38.097 38 HD21 LEU 21 HD21 LEU 21 -31.142 25.827 41.293 39 HD22 LEU 21 HD22 LEU 21 -29.940 26.789 42.153 40 HD23 LEU 21 HD23 LEU 21 -29.542 25.157 41.617 41 H ASP 22 H ASP 22 -25.595 25.163 40.355 42 HA ASP 22 HA ASP 22 -23.598 27.077 39.375 43 HB2 ASP 22 HB1 ASP 22 -23.368 24.122 40.007 44 HB3 ASP 22 HB2 ASP 22 -22.046 25.135 39.412 45 HD2 ASP 22 HD ASP 22 -22.449 25.006 43.182 46 H PHE 23 H PHE 23 -25.881 26.708 37.797 47 HA PHE 23 HA PHE 23 -24.866 25.101 35.549 48 HB2 PHE 23 HB1 PHE 23 -27.467 25.326 36.747 49 HB3 PHE 23 HB2 PHE 23 -27.552 25.878 35.072 50 HD1 PHE 23 HD1 PHE 23 -28.050 23.121 37.010 51 HD2 PHE 23 HD2 PHE 23 -26.007 24.271 33.458 52 HE1 PHE 23 HE1 PHE 23 -28.111 20.790 36.223 53 HE2 PHE 23 HE2 PHE 23 -26.066 21.943 32.665 54 HZ PHE 23 HZ PHE 23 -27.119 20.199 34.048 55 H ASN 24 H ASN 24 -23.686 26.435 34.306 56 HA ASN 24 HA ASN 24 -24.949 28.955 33.445 57 HB2 ASN 24 HB1 ASN 24 -22.823 30.034 33.357 58 HB3 ASN 24 HB2 ASN 24 -22.925 29.238 34.932 59 HD21 ASN 24 HD21 ASN 24 -20.549 30.035 33.567 60 HD22 ASN 24 HD22 ASN 24 -19.620 28.607 33.280 61 H ASN 25 H ASN 25 -24.499 29.633 31.280 62 HA ASN 25 HA ASN 25 -23.434 27.550 29.506 63 HB2 ASN 25 HB1 ASN 25 -26.126 27.943 29.773 64 HB3 ASN 25 HB2 ASN 25 -25.745 29.032 28.434 65 HD21 ASN 25 HD21 ASN 25 -26.529 27.978 26.725 66 HD22 ASN 25 HD22 ASN 25 -26.060 26.388 26.241 67 H ILE 26 H ILE 26 -22.138 28.296 27.934 68 HA ILE 26 HA ILE 26 -22.027 31.214 27.534 69 HB ILE 26 HB ILE 26 -19.633 30.858 26.887 70 HG12 ILE 26 HG11 ILE 26 -19.523 28.324 28.396 71 HG13 ILE 26 HG12 ILE 26 -20.283 28.213 26.799 72 HG21 ILE 26 HG21 ILE 26 -18.830 30.626 29.214 73 HG22 ILE 26 HG22 ILE 26 -20.182 31.745 29.058 74 HG23 ILE 26 HG23 ILE 26 -20.451 30.122 29.692 75 HD11 ILE 26 HD11 ILE 26 -17.693 27.870 27.117 76 HD12 ILE 26 HD12 ILE 26 -18.354 28.653 25.682 77 HD13 ILE 26 HD13 ILE 26 -17.686 29.629 26.990 78 H ARG 27 H ARG 27 -21.324 31.933 25.404 79 HA ARG 27 HA ARG 27 -21.522 32.001 23.139 80 HB2 ARG 27 HB1 ARG 27 -20.256 29.524 23.771 81 HB3 ARG 27 HB2 ARG 27 -21.367 29.249 22.421 82 HG2 ARG 27 HG1 ARG 27 -20.092 31.604 21.727 83 HG3 ARG 27 HG2 ARG 27 -18.816 30.626 22.473 84 HD2 ARG 27 HD1 ARG 27 -18.885 29.019 20.847 85 HD3 ARG 27 HD2 ARG 27 -20.610 29.271 20.541 86 HE ARG 27 HE ARG 27 -20.074 30.829 18.948 87 HH11 ARG 27 HH11 ARG 27 -17.269 30.164 20.902 88 HH12 ARG 27 HH12 ARG 27 -16.188 31.058 19.886 89 HH21 ARG 27 HH21 ARG 27 -18.660 32.009 17.603 90 HH22 ARG 27 HH22 ARG 27 -16.980 32.107 18.009 91 H SER 28 H SER 28 -22.771 30.922 21.221 92 HA SER 28 HA SER 28 -25.518 30.594 22.154 93 HB2 SER 28 HB1 SER 28 -24.658 32.212 20.257 94 HB3 SER 28 HB2 SER 28 -24.781 30.755 19.255 95 HG SER 28 HG SER 28 -26.724 32.368 19.880 96 H SER 29 H SER 29 -23.344 29.055 19.782 97 HA SER 29 HA SER 29 -23.186 26.914 19.028 98 HB2 SER 29 HB1 SER 29 -24.818 25.716 21.184 99 HB3 SER 29 HB2 SER 29 -23.184 25.307 20.633 100 HG SER 29 HG SER 29 -23.907 26.783 22.744 101 H ALA 30 H ALA 30 -24.537 24.968 18.358 102 HA ALA 30 HA ALA 30 -26.254 24.166 17.095 103 HB1 ALA 30 HB1 ALA 30 -28.588 24.842 17.979 104 HB2 ALA 30 HB2 ALA 30 -27.529 23.877 19.009 105 HB3 ALA 30 HB3 ALA 30 -27.688 25.611 19.288 106 H ASP 31 H ASP 31 -25.044 26.128 15.788 107 HA ASP 31 HA ASP 31 -27.036 27.125 14.052 108 HB2 ASP 31 HB1 ASP 31 -26.562 28.748 16.321 109 HB3 ASP 31 HB2 ASP 31 -25.788 29.556 14.950 110 HD2 ASP 31 HD ASP 31 -29.135 29.408 13.385 111 H LEU 32 H LEU 32 -26.141 27.357 12.102 112 HA LEU 32 HA LEU 32 -24.561 27.352 10.462 113 HB2 LEU 32 HB1 LEU 32 -23.467 29.384 12.398 114 HB3 LEU 32 HB2 LEU 32 -22.675 29.029 10.853 115 HG LEU 32 HG LEU 32 -25.534 29.952 11.038 116 HD11 LEU 32 HD11 LEU 32 -24.636 31.862 11.839 117 HD12 LEU 32 HD12 LEU 32 -24.232 32.119 10.142 118 HD13 LEU 32 HD13 LEU 32 -23.018 31.478 11.249 119 HD21 LEU 32 HD21 LEU 32 -24.575 28.779 8.973 120 HD22 LEU 32 HD22 LEU 32 -23.622 30.246 8.745 121 HD23 LEU 32 HD23 LEU 32 -25.384 30.328 8.738 122 H HIS 33 H HIS 33 -24.170 25.083 11.298 123 HA HIS 33 HA HIS 33 -21.312 24.815 11.910 124 HB2 HIS 33 HB1 HIS 33 -22.739 24.458 13.965 125 HB3 HIS 33 HB2 HIS 33 -23.428 23.050 13.151 126 HD1 HIS 33 HD1 HIS 33 -20.456 24.152 15.039 127 HD2 HIS 33 HD2 HIS 33 -21.600 20.887 12.739 128 HE1 HIS 33 HE1 HIS 33 -18.770 22.353 15.539 129 HE2 HIS 33 HE2 HIS 33 -19.469 20.357 14.133 130 H GLY 34 H GLY 34 -20.298 23.542 10.503 131 HA2 GLY 34 HA2 GLY 34 -20.503 21.166 9.552 132 HA3 GLY 34 HA3 GLY 34 -21.947 21.808 8.783 133 HA1 GLY 34 HA1 GLY 34 -20.001 21.886 9.635 134 H ALA 35 H ALA 35 -19.093 20.841 7.947 135 HA ALA 35 HA ALA 35 -18.945 22.451 5.612 136 HB1 ALA 35 HB1 ALA 35 -17.895 23.887 7.484 137 HB2 ALA 35 HB2 ALA 35 -16.529 22.780 7.350 138 HB3 ALA 35 HB3 ALA 35 -17.037 23.727 5.951 139 H ARG 36 H ARG 36 -19.230 19.942 5.412 140 HA ARG 36 HA ARG 36 -16.560 18.847 4.837 141 HB2 ARG 36 HB1 ARG 36 -18.439 17.859 6.736 142 HB3 ARG 36 HB2 ARG 36 -18.365 16.708 5.393 143 HG2 ARG 36 HG1 ARG 36 -15.704 17.316 5.885 144 HG3 ARG 36 HG2 ARG 36 -16.443 17.222 7.494 145 HD2 ARG 36 HD1 ARG 36 -17.190 15.003 7.148 146 HD3 ARG 36 HD2 ARG 36 -16.891 15.105 5.408 147 HE ARG 36 HE ARG 36 -14.436 15.484 6.552 148 HH11 ARG 36 HH11 ARG 36 -16.883 13.012 6.694 149 HH12 ARG 36 HH12 ARG 36 -15.756 11.728 6.978 150 HH21 ARG 36 HH21 ARG 36 -12.942 13.802 6.925 151 HH22 ARG 36 HH22 ARG 36 -13.513 12.178 7.110 152 H LYS 37 H LYS 37 -16.345 18.431 2.750 153 HA LYS 37 HA LYS 37 -18.394 17.084 1.255 154 HB2 LYS 37 HB1 LYS 37 -18.514 18.850 -0.525 155 HB3 LYS 37 HB2 LYS 37 -19.299 19.282 1.003 156 HG2 LYS 37 HG1 LYS 37 -17.377 20.640 1.641 157 HG3 LYS 37 HG2 LYS 37 -16.561 20.187 0.133 158 HD2 LYS 37 HD1 LYS 37 -19.154 21.167 -0.532 159 HD3 LYS 37 HD2 LYS 37 -18.391 22.314 0.584 160 HE2 LYS 37 HE1 LYS 37 -16.399 22.406 -0.852 161 HE3 LYS 37 HE2 LYS 37 -17.162 21.258 -1.961 162 HZ1 LYS 37 HZ1 LYS 37 -19.032 22.999 -2.056 163 HZ2 LYS 37 HZ2 LYS 37 -17.609 23.292 -2.922 164 HZ3 LYS 37 HZ3 LYS 37 -17.873 24.069 -1.443 165 H GLY 38 H GLY 38 -17.554 15.958 -0.435 166 HA2 GLY 38 HA2 GLY 38 -16.002 15.546 -2.179 167 HA3 GLY 38 HA3 GLY 38 -14.884 16.664 -1.413 168 HA1 GLY 38 HA1 GLY 38 -16.353 15.130 -1.487 169 H SER 39 H SER 39 -13.105 15.424 -1.175 170 HA SER 39 HA SER 39 -11.706 13.847 -0.321 171 HB2 SER 39 HB1 SER 39 -13.183 14.571 1.766 172 HB3 SER 39 HB2 SER 39 -13.764 12.901 1.627 173 HG SER 39 HG SER 39 -11.011 13.559 1.704 174 H GLN 40 H GLN 40 -11.667 12.512 -2.115 175 HA GLN 40 HA GLN 40 -13.676 10.561 -2.644 176 HB2 GLN 40 HB1 GLN 40 -11.311 11.558 -3.919 177 HB3 GLN 40 HB2 GLN 40 -11.246 9.789 -3.879 178 HG2 GLN 40 HG1 GLN 40 -13.822 10.227 -4.675 179 HG3 GLN 40 HG2 GLN 40 -12.959 11.571 -5.435 180 HE21 GLN 40 HE21 GLN 40 -12.110 11.188 -7.346 181 HE22 GLN 40 HE22 GLN 40 -11.700 9.637 -7.988 182 H CYS 41 H CYS 41 -10.806 10.641 -0.708 183 HA CYS 41 HA CYS 41 -11.229 7.807 -0.026 184 HB2 CYS 41 HB1 CYS 41 -8.846 7.512 0.283 185 HB3 CYS 41 HB2 CYS 41 -9.155 8.112 -1.348 186 H LEU 42 H LEU 42 -11.086 7.249 2.128 187 HA LEU 42 HA LEU 42 -11.411 9.441 3.996 188 HB2 LEU 42 HB1 LEU 42 -12.440 6.858 3.780 189 HB3 LEU 42 HB2 LEU 42 -11.355 6.800 5.179 190 HG LEU 42 HG LEU 42 -12.644 8.890 5.986 191 HD11 LEU 42 HD11 LEU 42 -14.352 7.907 3.743 192 HD12 LEU 42 HD12 LEU 42 -13.951 9.560 4.209 193 HD13 LEU 42 HD13 LEU 42 -15.097 8.626 5.171 194 HD21 LEU 42 HD21 LEU 42 -12.851 6.939 7.248 195 HD22 LEU 42 HD22 LEU 42 -13.672 6.072 5.950 196 HD23 LEU 42 HD23 LEU 42 -14.515 7.349 6.828 197 H SER 43 H SER 43 -9.068 6.962 3.226 198 HA SER 43 HA SER 43 -7.089 8.316 4.850 199 HB2 SER 43 HB1 SER 43 -7.982 5.480 5.409 200 HB3 SER 43 HB2 SER 43 -6.408 6.109 5.930 201 HG SER 43 HG SER 43 -7.430 6.897 7.577 202 H ASP 44 H ASP 44 -4.964 6.817 4.722 203 HA ASP 44 HA ASP 44 -4.311 6.746 1.943 204 HB2 ASP 44 HB1 ASP 44 -2.082 6.095 2.665 205 HB3 ASP 44 HB2 ASP 44 -2.684 7.409 3.684 206 HD2 ASP 44 HD ASP 44 -2.390 5.514 6.513 207 H THR 45 H THR 45 -5.342 4.405 4.278 208 HA THR 45 HA THR 45 -4.515 2.133 2.682 209 HB THR 45 HB THR 45 -5.528 0.753 4.403 210 HG1 THR 45 HG1 THR 45 -6.345 3.135 5.722 211 HG21 THR 45 HG21 THR 45 -3.287 2.000 4.750 212 HG22 THR 45 HG22 THR 45 -4.047 1.226 6.141 213 HG23 THR 45 HG23 THR 45 -4.187 2.969 5.914 214 H ASP 46 H ASP 46 -6.854 4.313 2.259 215 HA ASP 46 HA ASP 46 -9.009 2.461 1.606 216 HB2 ASP 46 HB1 ASP 46 -8.839 5.234 2.327 217 HB3 ASP 46 HB2 ASP 46 -9.644 5.092 0.758 218 HD2 ASP 46 HD ASP 46 -11.507 2.927 3.481 219 H CYS 47 H CYS 47 -6.286 3.043 0.137 220 HA CYS 47 HA CYS 47 -7.444 3.391 -2.548 221 HB2 CYS 47 HB1 CYS 47 -4.655 3.883 -1.492 222 HB3 CYS 47 HB2 CYS 47 -5.040 3.872 -3.213 223 H ASN 48 H ASN 48 -8.103 1.141 -2.516 224 HA ASN 48 HA ASN 48 -7.866 -0.993 -3.277 225 HB2 ASN 48 HB1 ASN 48 -5.626 0.414 -4.400 226 HB3 ASN 48 HB2 ASN 48 -5.122 -1.217 -3.941 227 HD21 ASN 48 HD21 ASN 48 -6.716 0.655 -6.238 228 HD22 ASN 48 HD22 ASN 48 -7.362 -0.627 -7.201 229 H THR 49 H THR 49 -4.561 -0.469 -2.088 230 HA THR 49 HA THR 49 -5.050 -1.850 0.382 231 HB THR 49 HB THR 49 -3.141 -3.236 -1.488 232 HG1 THR 49 HG1 THR 49 -5.920 -3.729 -1.100 233 HG21 THR 49 HG21 THR 49 -4.574 -4.107 1.026 234 HG22 THR 49 HG22 THR 49 -2.869 -3.672 0.897 235 HG23 THR 49 HG23 THR 49 -3.478 -5.107 0.073 236 H ARG 50 H ARG 50 -2.253 -1.512 -1.809 237 HA ARG 50 HA ARG 50 -0.890 -0.015 0.333 238 HB2 ARG 50 HB1 ARG 50 0.049 -2.123 -1.559 239 HB3 ARG 50 HB2 ARG 50 1.191 -0.853 -1.093 240 HG2 ARG 50 HG1 ARG 50 1.285 -1.523 1.101 241 HG3 ARG 50 HG2 ARG 50 -0.316 -2.278 1.042 242 HD2 ARG 50 HD1 ARG 50 0.627 -4.034 -0.470 243 HD3 ARG 50 HD2 ARG 50 2.224 -3.319 -0.204 244 HE ARG 50 HE ARG 50 1.079 -3.869 2.291 245 HH11 ARG 50 HH11 ARG 50 2.312 -5.548 -0.499 246 HH12 ARG 50 HH12 ARG 50 2.797 -6.949 0.396 247 HH21 ARG 50 HH21 ARG 50 1.713 -5.709 3.481 248 HH22 ARG 50 HH22 ARG 50 2.455 -7.041 2.660 249 H LYS 51 H LYS 51 -1.920 1.900 -0.596 250 HA LYS 51 HA LYS 51 -0.197 3.104 -2.595 251 HB2 LYS 51 HB1 LYS 51 -3.002 2.323 -3.108 252 HB3 LYS 51 HB2 LYS 51 -2.569 3.971 -3.589 253 HG2 LYS 51 HG1 LYS 51 -1.992 2.964 -5.518 254 HG3 LYS 51 HG2 LYS 51 -0.488 2.641 -4.637 255 HD2 LYS 51 HD1 LYS 51 -1.803 0.497 -3.828 256 HD3 LYS 51 HD2 LYS 51 -2.729 0.794 -5.309 257 HE2 LYS 51 HE1 LYS 51 -1.080 0.037 -6.619 258 HE3 LYS 51 HE2 LYS 51 0.125 1.013 -5.765 259 HZ1 LYS 51 HZ1 LYS 51 0.729 -1.227 -5.453 260 HZ2 LYS 51 HZ2 LYS 51 -0.845 -1.691 -5.043 261 HZ3 LYS 51 HZ3 LYS 51 0.057 -0.731 -3.982 262 H PHE 52 H PHE 52 -0.270 5.388 -2.601 263 HA PHE 52 HA PHE 52 -1.395 6.503 -0.137 264 HB2 PHE 52 HB1 PHE 52 0.205 8.254 -0.310 265 HB3 PHE 52 HB2 PHE 52 1.062 6.755 -0.674 266 HD1 PHE 52 HD1 PHE 52 -0.092 9.933 -2.004 267 HD2 PHE 52 HD2 PHE 52 1.759 6.219 -2.956 268 HE1 PHE 52 HE1 PHE 52 0.680 10.870 -4.144 269 HE2 PHE 52 HE2 PHE 52 2.536 7.151 -5.096 270 HZ PHE 52 HZ PHE 52 1.997 9.479 -5.693 271 H CYS 53 H CYS 53 -2.750 8.265 -0.115 272 HA CYS 53 HA CYS 53 -4.175 8.772 -2.602 273 HB2 CYS 53 HB1 CYS 53 -5.146 8.344 -0.169 274 HB3 CYS 53 HB2 CYS 53 -4.924 10.087 -0.027 275 H LEU 54 H LEU 54 -3.313 10.278 -3.879 276 HA LEU 54 HA LEU 54 -1.833 12.512 -2.805 277 HB2 LEU 54 HB1 LEU 54 -1.133 11.362 -4.868 278 HB3 LEU 54 HB2 LEU 54 -2.635 11.893 -5.645 279 HG LEU 54 HG LEU 54 -1.554 14.267 -4.816 280 HD11 LEU 54 HD11 LEU 54 0.801 14.184 -5.623 281 HD12 LEU 54 HD12 LEU 54 0.688 12.424 -5.620 282 HD13 LEU 54 HD13 LEU 54 0.523 13.320 -4.110 283 HD21 LEU 54 HD21 LEU 54 -1.679 12.750 -7.358 284 HD22 LEU 54 HD22 LEU 54 -0.655 14.187 -7.320 285 HD23 LEU 54 HD23 LEU 54 -2.373 14.315 -6.934 286 H GLN 55 H GLN 55 -2.680 14.398 -2.243 287 HA GLN 55 HA GLN 55 -5.294 15.153 -3.375 288 HB2 GLN 55 HB1 GLN 55 -4.198 16.005 -0.690 289 HB3 GLN 55 HB2 GLN 55 -5.837 16.249 -1.311 290 HG2 GLN 55 HG1 GLN 55 -6.292 13.882 -1.217 291 HG3 GLN 55 HG2 GLN 55 -4.623 13.560 -0.727 292 HE21 GLN 55 HE21 GLN 55 -7.549 15.273 0.259 293 HE22 GLN 55 HE22 GLN 55 -7.285 15.112 1.959 294 HA PRO 56 HA PRO 56 -2.373 18.344 -4.882 295 HB2 PRO 56 HB1 PRO 56 -3.746 18.807 -7.207 296 HB3 PRO 56 HB2 PRO 56 -2.581 17.498 -7.009 297 HG2 PRO 56 HG1 PRO 56 -5.572 17.432 -6.787 298 HG3 PRO 56 HG2 PRO 56 -4.465 16.290 -7.639 299 HD2 PRO 56 HD1 PRO 56 -5.546 15.745 -5.211 300 HD3 PRO 56 HD2 PRO 56 -3.929 15.196 -5.683 301 H ARG 57 H ARG 57 -2.599 20.581 -4.978 302 HA ARG 57 HA ARG 57 -4.953 21.626 -3.666 303 HB2 ARG 57 HB1 ARG 57 -2.218 22.585 -4.276 304 HB3 ARG 57 HB2 ARG 57 -3.476 23.825 -4.203 305 HG2 ARG 57 HG1 ARG 57 -3.665 23.698 -1.975 306 HG3 ARG 57 HG2 ARG 57 -3.549 21.930 -1.978 307 HD2 ARG 57 HD1 ARG 57 -1.316 21.933 -1.629 308 HD3 ARG 57 HD2 ARG 57 -1.066 23.330 -2.686 309 HE ARG 57 HE ARG 57 -2.353 24.112 -0.285 310 HH11 ARG 57 HH11 ARG 57 0.738 23.161 -1.574 311 HH12 ARG 57 HH12 ARG 57 1.649 24.037 -0.387 312 HH21 ARG 57 HH21 ARG 57 -1.165 25.268 1.283 313 HH22 ARG 57 HH22 ARG 57 0.565 25.234 1.237 314 H ASP 58 H ASP 58 -3.546 21.614 -6.859 315 HA ASP 58 HA ASP 58 -5.409 23.608 -7.855 316 HB2 ASP 58 HB1 ASP 58 -2.913 23.161 -8.593 317 HB3 ASP 58 HB2 ASP 58 -3.671 21.964 -9.651 318 HD2 ASP 58 HD ASP 58 -4.838 24.375 -11.794 319 H GLU 59 H GLU 59 -5.148 20.180 -7.613 320 HA GLU 59 HA GLU 59 -7.532 19.886 -9.321 321 HB2 GLU 59 HB1 GLU 59 -5.034 18.628 -9.573 322 HB3 GLU 59 HB2 GLU 59 -6.121 17.400 -8.904 323 HG2 GLU 59 HG1 GLU 59 -7.738 18.181 -10.794 324 HG3 GLU 59 HG2 GLU 59 -6.258 18.819 -11.523 325 HE2 GLU 59 HE GLU 59 -5.552 15.715 -12.756 326 H LYS 60 H LYS 60 -8.514 17.539 -8.718 327 HA LYS 60 HA LYS 60 -9.335 17.830 -5.944 328 HB2 LYS 60 HB1 LYS 60 -11.006 16.056 -6.544 329 HB3 LYS 60 HB2 LYS 60 -11.122 17.539 -7.506 330 HG2 LYS 60 HG1 LYS 60 -10.920 16.379 -9.379 331 HG3 LYS 60 HG2 LYS 60 -9.358 15.744 -8.833 332 HD2 LYS 60 HD1 LYS 60 -10.505 13.777 -9.077 333 HD3 LYS 60 HD2 LYS 60 -10.898 14.153 -7.390 334 HE2 LYS 60 HE1 LYS 60 -12.777 15.473 -9.121 335 HE3 LYS 60 HE2 LYS 60 -12.678 13.756 -9.540 336 HZ1 LYS 60 HZ1 LYS 60 -12.753 14.054 -6.731 337 HZ2 LYS 60 HZ2 LYS 60 -13.838 13.242 -7.742 338 HZ3 LYS 60 HZ3 LYS 60 -14.052 14.889 -7.422 339 HA PRO 61 HA PRO 61 -6.986 14.509 -4.294 340 HB2 PRO 61 HB1 PRO 61 -8.708 13.510 -2.414 341 HB3 PRO 61 HB2 PRO 61 -7.872 15.053 -2.245 342 HG2 PRO 61 HG1 PRO 61 -10.660 14.495 -3.198 343 HG3 PRO 61 HG2 PRO 61 -10.080 15.749 -2.039 344 HD2 PRO 61 HD1 PRO 61 -10.672 16.308 -4.629 345 HD3 PRO 61 HD2 PRO 61 -9.383 17.140 -3.740 346 H PHE 62 H PHE 62 -6.600 12.369 -4.630 347 HA PHE 62 HA PHE 62 -8.678 10.476 -5.161 348 HB2 PHE 62 HB1 PHE 62 -8.187 9.973 -7.456 349 HB3 PHE 62 HB2 PHE 62 -8.521 11.702 -7.339 350 HD1 PHE 62 HD1 PHE 62 -6.404 13.225 -6.956 351 HD2 PHE 62 HD2 PHE 62 -6.321 9.318 -8.646 352 HE1 PHE 62 HE1 PHE 62 -4.252 13.739 -8.032 353 HE2 PHE 62 HE2 PHE 62 -4.168 9.826 -9.722 354 HZ PHE 62 HZ PHE 62 -3.130 12.039 -9.416 355 H CYS 63 H CYS 63 -7.563 8.372 -6.110 356 HA CYS 63 HA CYS 63 -5.342 7.827 -4.310 357 HB2 CYS 63 HB1 CYS 63 -7.162 6.087 -5.973 358 HB3 CYS 63 HB2 CYS 63 -5.736 5.436 -5.163 359 H ALA 64 H ALA 64 -3.320 7.165 -4.933 360 HA ALA 64 HA ALA 64 -2.738 6.979 -7.798 361 HB1 ALA 64 HB1 ALA 64 -0.559 8.358 -6.726 362 HB2 ALA 64 HB2 ALA 64 -1.776 8.979 -7.842 363 HB3 ALA 64 HB3 ALA 64 -1.990 9.179 -6.102 364 H THR 65 H THR 65 -0.812 5.843 -8.303 365 HA THR 65 HA THR 65 -0.099 3.880 -6.280 366 HB THR 65 HB THR 65 1.350 3.049 -8.341 367 HG1 THR 65 HG1 THR 65 -0.775 4.290 -9.731 368 HG21 THR 65 HG21 THR 65 -1.406 2.491 -9.006 369 HG22 THR 65 HG22 THR 65 -1.146 2.414 -7.263 370 HG23 THR 65 HG23 THR 65 -0.173 1.418 -8.345 371 H CYS 66 H CYS 66 2.177 3.253 -5.981 372 HA CYS 66 HA CYS 66 3.762 5.423 -5.187 373 HB2 CYS 66 HB1 CYS 66 5.570 3.739 -4.896 374 HB3 CYS 66 HB2 CYS 66 4.044 3.267 -4.146 375 H ARG 67 H ARG 67 6.171 5.531 -5.938 376 HA ARG 67 HA ARG 67 6.111 5.924 -8.849 377 HB2 ARG 67 HB1 ARG 67 8.133 7.080 -6.933 378 HB3 ARG 67 HB2 ARG 67 7.757 7.611 -8.579 379 HG2 ARG 67 HG1 ARG 67 5.366 8.034 -7.546 380 HG3 ARG 67 HG2 ARG 67 6.301 8.127 -6.043 381 HD2 ARG 67 HD1 ARG 67 7.729 9.861 -7.001 382 HD3 ARG 67 HD2 ARG 67 6.850 9.739 -8.532 383 HE ARG 67 HE ARG 67 5.131 10.337 -6.324 384 HH11 ARG 67 HH11 ARG 67 7.331 11.703 -8.650 385 HH12 ARG 67 HH12 ARG 67 6.617 13.281 -8.594 386 HH21 ARG 67 HH21 ARG 67 4.180 12.409 -6.242 387 HH22 ARG 67 HH22 ARG 67 4.825 13.681 -7.224 388 H GLY 68 H GLY 68 8.758 6.063 -9.450 389 HA2 GLY 68 HA2 GLY 68 9.560 3.259 -9.133 390 HA3 GLY 68 HA3 GLY 68 10.134 4.362 -10.376 391 HA1 GLY 68 HA1 GLY 68 9.515 3.783 -8.426 392 H LEU 69 H LEU 69 12.166 3.200 -9.518 393 HA LEU 69 HA LEU 69 13.221 4.117 -7.018 394 HB2 LEU 69 HB1 LEU 69 14.200 2.478 -9.304 395 HB3 LEU 69 HB2 LEU 69 15.402 3.207 -8.222 396 HG LEU 69 HG LEU 69 13.206 1.312 -7.385 397 HD11 LEU 69 HD11 LEU 69 15.182 0.436 -8.771 398 HD12 LEU 69 HD12 LEU 69 14.806 -0.373 -7.251 399 HD13 LEU 69 HD13 LEU 69 16.152 0.764 -7.336 400 HD21 LEU 69 HD21 LEU 69 15.248 2.891 -5.889 401 HD22 LEU 69 HD22 LEU 69 14.788 1.294 -5.299 402 HD23 LEU 69 HD23 LEU 69 13.565 2.552 -5.483 403 H ARG 70 H ARG 70 13.241 5.259 -10.284 404 HA ARG 70 HA ARG 70 15.390 7.162 -9.736 405 HB2 ARG 70 HB1 ARG 70 13.851 6.486 -12.251 406 HB3 ARG 70 HB2 ARG 70 15.057 7.779 -12.158 407 HG2 ARG 70 HG1 ARG 70 16.080 5.254 -11.140 408 HG3 ARG 70 HG2 ARG 70 15.531 5.146 -12.821 409 HD2 ARG 70 HD1 ARG 70 17.055 6.730 -13.574 410 HD3 ARG 70 HD2 ARG 70 17.247 7.437 -11.963 411 HE ARG 70 HE ARG 70 18.918 5.936 -11.553 412 HH11 ARG 70 HH11 ARG 70 17.012 4.788 -14.229 413 HH12 ARG 70 HH12 ARG 70 18.069 3.461 -14.582 414 HH21 ARG 70 HH21 ARG 70 20.318 4.194 -12.007 415 HH22 ARG 70 HH22 ARG 70 19.949 3.123 -13.316 416 H ARG 71 H ARG 71 12.410 7.124 -8.784 417 HA ARG 71 HA ARG 71 11.714 9.846 -9.650 418 HB2 ARG 71 HB1 ARG 71 10.075 7.590 -8.499 419 HB3 ARG 71 HB2 ARG 71 9.467 9.250 -8.583 420 HG2 ARG 71 HG1 ARG 71 10.444 7.720 -10.989 421 HG3 ARG 71 HG2 ARG 71 8.755 7.757 -10.460 422 HD2 ARG 71 HD1 ARG 71 8.451 9.948 -11.063 423 HD3 ARG 71 HD2 ARG 71 10.152 10.355 -10.798 424 HE ARG 71 HE ARG 71 10.544 9.905 -12.998 425 HH11 ARG 71 HH11 ARG 71 7.599 8.311 -12.046 426 HH12 ARG 71 HH12 ARG 71 7.224 7.764 -13.647 427 HH21 ARG 71 HH21 ARG 71 10.062 9.191 -15.109 428 HH22 ARG 71 HH22 ARG 71 8.626 8.265 -15.389 429 H ARG 72 H ARG 72 11.257 11.455 -8.152 430 HA ARG 72 HA ARG 72 12.687 11.269 -5.681 431 HB2 ARG 72 HB1 ARG 72 11.819 13.593 -5.314 432 HB3 ARG 72 HB2 ARG 72 12.717 13.368 -6.823 433 HG2 ARG 72 HG1 ARG 72 9.821 12.949 -7.072 434 HG3 ARG 72 HG2 ARG 72 10.302 14.594 -6.619 435 HD2 ARG 72 HD1 ARG 72 12.098 14.079 -8.591 436 HD3 ARG 72 HD2 ARG 72 10.710 13.130 -9.140 437 HE ARG 72 HE ARG 72 9.677 15.584 -8.484 438 HH11 ARG 72 HH11 ARG 72 12.136 14.405 -10.648 439 HH12 ARG 72 HH12 ARG 72 11.913 15.676 -11.803 440 HH21 ARG 72 HH21 ARG 72 9.373 17.262 -9.999 441 HH22 ARG 72 HH22 ARG 72 10.341 17.302 -11.433 442 H CYS 73 H CYS 73 11.777 11.726 -3.569 443 HA CYS 73 HA CYS 73 8.932 11.365 -3.195 444 HB2 CYS 73 HB1 CYS 73 9.180 9.407 -1.713 445 HB3 CYS 73 HB2 CYS 73 9.638 9.047 -3.377 446 H GLN 74 H GLN 74 8.325 11.522 -0.878 447 HA GLN 74 HA GLN 74 10.275 13.170 0.593 448 HB2 GLN 74 HB1 GLN 74 7.635 13.776 -0.254 449 HB3 GLN 74 HB2 GLN 74 7.599 13.618 1.509 450 HG2 GLN 74 HG1 GLN 74 8.240 15.750 1.554 451 HG3 GLN 74 HG2 GLN 74 9.840 15.128 1.120 452 HE21 GLN 74 HE21 GLN 74 10.384 15.042 -1.157 453 HE22 GLN 74 HE22 GLN 74 9.712 16.215 -2.232 454 H ARG 75 H ARG 75 8.088 10.491 0.699 455 HA ARG 75 HA ARG 75 8.916 9.971 3.475 456 HB2 ARG 75 HB1 ARG 75 6.358 10.612 2.764 457 HB3 ARG 75 HB2 ARG 75 6.321 8.844 2.667 458 HG2 ARG 75 HG1 ARG 75 7.555 9.140 5.043 459 HG3 ARG 75 HG2 ARG 75 6.554 10.602 5.015 460 HD2 ARG 75 HD1 ARG 75 4.707 9.436 5.462 461 HD3 ARG 75 HD2 ARG 75 5.028 8.341 4.109 462 HE ARG 75 HE ARG 75 6.720 7.619 6.206 463 HH11 ARG 75 HH11 ARG 75 3.318 7.689 5.473 464 HH12 ARG 75 HH12 ARG 75 2.936 6.345 6.498 465 HH21 ARG 75 HH21 ARG 75 6.231 5.849 7.558 466 HH22 ARG 75 HH22 ARG 75 4.594 5.300 7.684 467 H ASP 76 H ASP 76 8.558 7.601 4.056 468 HA ASP 76 HA ASP 76 9.900 6.006 2.068 469 HB2 ASP 76 HB1 ASP 76 8.815 4.886 4.635 470 HB3 ASP 76 HB2 ASP 76 10.294 4.459 3.764 471 HD2 ASP 76 HD ASP 76 10.482 7.232 6.506 472 H ALA 77 H ALA 77 6.853 5.638 3.888 473 HA ALA 77 HA ALA 77 5.892 3.446 2.423 474 HB1 ALA 77 HB1 ALA 77 5.077 4.703 4.657 475 HB2 ALA 77 HB2 ALA 77 3.884 5.312 3.510 476 HB3 ALA 77 HB3 ALA 77 4.071 3.575 3.749 477 H MET 78 H MET 78 5.956 6.830 1.710 478 HA MET 78 HA MET 78 3.834 7.082 -0.068 479 HB2 MET 78 HB1 MET 78 6.440 8.464 0.327 480 HB3 MET 78 HB2 MET 78 5.594 8.748 -1.203 481 HG2 MET 78 HG1 MET 78 3.561 9.377 0.129 482 HG3 MET 78 HG2 MET 78 4.576 9.294 1.572 483 HE1 MET 78 HE1 MET 78 3.965 10.927 -1.834 484 HE2 MET 78 HE2 MET 78 5.018 12.341 -1.847 485 HE3 MET 78 HE3 MET 78 5.706 10.728 -2.037 486 H CYS 79 H CYS 79 6.866 5.452 -0.429 487 HA CYS 79 HA CYS 79 6.477 5.166 -3.319 488 HB2 CYS 79 HB1 CYS 79 8.749 5.579 -1.833 489 HB3 CYS 79 HB2 CYS 79 8.796 3.835 -2.095 490 H CYS 80 H CYS 80 7.471 2.794 -3.946 491 HA CYS 80 HA CYS 80 5.408 0.984 -3.217 492 HB2 CYS 80 HB1 CYS 80 8.013 0.268 -4.572 493 HB3 CYS 80 HB2 CYS 80 6.466 -0.572 -4.696 494 HA PRO 81 HA PRO 81 7.057 -1.041 0.311 495 HB2 PRO 81 HB1 PRO 81 6.086 -3.577 -0.036 496 HB3 PRO 81 HB2 PRO 81 5.078 -2.204 0.416 497 HG2 PRO 81 HG1 PRO 81 5.538 -3.416 -2.289 498 HG3 PRO 81 HG2 PRO 81 3.992 -2.901 -1.519 499 HD2 PRO 81 HD1 PRO 81 5.272 -1.396 -3.381 500 HD3 PRO 81 HD2 PRO 81 4.354 -0.686 -2.043 501 H GLY 82 H GLY 82 9.160 -1.467 0.554 502 HA2 GLY 82 HA2 GLY 82 10.719 -3.432 0.458 503 HA3 GLY 82 HA3 GLY 82 10.399 -3.436 -1.270 504 HA1 GLY 82 HA1 GLY 82 10.632 -2.579 0.660 505 H THR 83 H THR 83 10.364 -0.313 -0.784 506 HA THR 83 HA THR 83 13.285 -0.024 -1.056 507 HB THR 83 HB THR 83 12.601 2.145 -2.316 508 HG1 THR 83 HG1 THR 83 10.317 0.673 -3.038 509 HG21 THR 83 HG21 THR 83 12.705 -0.657 -3.241 510 HG22 THR 83 HG22 THR 83 13.650 0.742 -3.750 511 HG23 THR 83 HG23 THR 83 12.021 0.503 -4.378 512 H LEU 84 H LEU 84 14.046 2.253 -0.545 513 HA LEU 84 HA LEU 84 12.535 3.392 1.708 514 HB2 LEU 84 HB1 LEU 84 14.645 1.898 2.206 515 HB3 LEU 84 HB2 LEU 84 15.516 3.373 1.755 516 HG LEU 84 HG LEU 84 13.400 3.806 3.734 517 HD11 LEU 84 HD11 LEU 84 14.493 2.766 5.581 518 HD12 LEU 84 HD12 LEU 84 15.830 2.232 4.562 519 HD13 LEU 84 HD13 LEU 84 14.227 1.530 4.349 520 HD21 LEU 84 HD21 LEU 84 15.559 5.172 2.835 521 HD22 LEU 84 HD22 LEU 84 16.209 4.452 4.308 522 HD23 LEU 84 HD23 LEU 84 14.769 5.468 4.384 523 H CYS 85 H CYS 85 12.366 5.559 1.724 524 HA CYS 85 HA CYS 85 13.203 7.037 -0.565 525 HB2 CYS 85 HB1 CYS 85 11.114 7.382 0.913 526 HB3 CYS 85 HB2 CYS 85 12.196 8.268 1.990 527 H VAL 86 H VAL 86 15.388 7.206 -0.749 528 HA VAL 86 HA VAL 86 16.811 8.528 1.471 529 HB VAL 86 HB VAL 86 17.974 6.703 -0.638 530 HG11 VAL 86 HG11 VAL 86 19.565 8.397 0.009 531 HG12 VAL 86 HG12 VAL 86 19.251 8.088 1.718 532 HG13 VAL 86 HG13 VAL 86 20.032 6.855 0.726 533 HG21 VAL 86 HG21 VAL 86 16.735 5.369 0.883 534 HG22 VAL 86 HG22 VAL 86 18.428 5.231 1.358 535 HG23 VAL 86 HG23 VAL 86 17.338 6.272 2.272 536 H ASN 87 H ASN 87 18.056 10.303 1.040 537 HA ASN 87 HA ASN 87 18.664 12.225 -0.019 538 HB2 ASN 87 HB1 ASN 87 19.826 10.158 -1.358 539 HB3 ASN 87 HB2 ASN 87 18.937 10.945 -2.667 540 HD21 ASN 87 HD21 ASN 87 21.736 10.799 -2.505 541 HD22 ASN 87 HD22 ASN 87 22.351 12.406 -2.346 542 H ASP 88 H ASP 88 15.867 11.651 0.066 543 HA ASP 88 HA ASP 88 13.905 12.488 -0.725 544 HB2 ASP 88 HB1 ASP 88 15.498 14.534 -0.974 545 HB3 ASP 88 HB2 ASP 88 15.415 14.169 -2.703 546 HD2 ASP 88 HD ASP 88 12.309 15.576 -2.986 547 H VAL 89 H VAL 89 15.325 10.211 -2.040 548 HA VAL 89 HA VAL 89 13.609 10.089 -4.399 549 HB VAL 89 HB VAL 89 16.562 9.458 -4.521 550 HG11 VAL 89 HG11 VAL 89 14.451 9.307 -6.672 551 HG12 VAL 89 HG12 VAL 89 16.173 8.970 -6.872 552 HG13 VAL 89 HG13 VAL 89 15.181 7.927 -5.852 553 HG21 VAL 89 HG21 VAL 89 16.730 11.317 -6.061 554 HG22 VAL 89 HG22 VAL 89 14.999 11.625 -5.925 555 HG23 VAL 89 HG23 VAL 89 16.051 11.875 -4.532 556 H CYS 90 H CYS 90 12.901 8.044 -4.905 557 HA CYS 90 HA CYS 90 12.863 6.122 -2.858 558 HB2 CYS 90 HB1 CYS 90 11.302 6.540 -4.965 559 HB3 CYS 90 HB2 CYS 90 12.340 5.307 -5.683 560 H THR 91 H THR 91 14.662 5.129 -2.191 561 HA THR 91 HA THR 91 16.375 3.867 -4.233 562 HB THR 91 HB THR 91 17.256 4.928 -1.541 563 HG1 THR 91 HG1 THR 91 18.172 6.583 -2.690 564 HG21 THR 91 HG21 THR 91 18.490 2.922 -2.328 565 HG22 THR 91 HG22 THR 91 19.500 4.366 -2.247 566 HG23 THR 91 HG23 THR 91 18.902 3.795 -3.804 567 H THR 92 H THR 92 16.435 1.724 -4.148 568 HA THR 92 HA THR 92 14.987 0.163 -2.379 569 HB THR 92 HB THR 92 17.066 -1.504 -3.186 570 HG1 THR 92 HG1 THR 92 18.021 -0.135 -4.585 571 HG21 THR 92 HG21 THR 92 15.456 -2.503 -4.537 572 HG22 THR 92 HG22 THR 92 14.690 -0.964 -4.932 573 HG23 THR 92 HG23 THR 92 14.482 -1.667 -3.329 574 H MET 93 H MET 93 15.748 -1.419 -0.796 575 HA MET 93 HA MET 93 17.432 -0.193 1.156 576 HB2 MET 93 HB1 MET 93 15.536 -2.342 1.049 577 HB3 MET 93 HB2 MET 93 17.022 -2.916 1.819 578 HG2 MET 93 HG1 MET 93 16.033 -0.290 2.742 579 HG3 MET 93 HG2 MET 93 15.030 -1.688 3.136 580 HE1 MET 93 HE1 MET 93 16.498 -1.143 6.453 581 HE2 MET 93 HE2 MET 93 15.129 -1.105 5.342 582 HE3 MET 93 HE3 MET 93 15.721 -2.648 5.961 583 H GLU 94 H GLU 94 17.876 -2.577 -1.332 584 HA GLU 94 HA GLU 94 20.288 -3.700 -0.308 585 HB2 GLU 94 HB1 GLU 94 18.895 -3.739 -2.970 586 HB3 GLU 94 HB2 GLU 94 20.534 -4.389 -2.808 587 HG2 GLU 94 HG1 GLU 94 19.873 -6.152 -1.499 588 HG3 GLU 94 HG2 GLU 94 18.437 -5.305 -0.907 589 HE2 GLU 94 HE GLU 94 16.517 -6.866 -3.260 590 H ASP 95 H ASP 95 19.507 -0.879 -2.160 591 HA ASP 95 HA ASP 95 22.233 -0.449 -3.044 592 HB2 ASP 95 HB1 ASP 95 19.634 1.029 -3.376 593 HB3 ASP 95 HB2 ASP 95 21.168 1.824 -3.755 594 HD2 ASP 95 HD ASP 95 20.896 -1.379 -5.988 595 H ALA 96 H ALA 96 19.938 1.171 -0.858 596 HA ALA 96 HA ALA 96 21.641 3.166 0.078 597 HB1 ALA 96 HB1 ALA 96 19.125 2.867 0.456 598 HB2 ALA 96 HB2 ALA 96 19.586 1.860 1.828 599 HB3 ALA 96 HB3 ALA 96 20.079 3.552 1.771 600 H THR 97 H THR 97 23.563 2.929 0.999 601 HA THR 97 HA THR 97 23.862 1.008 3.185 602 HB THR 97 HB THR 97 25.992 1.233 1.063 603 HG1 THR 97 HG1 THR 97 25.016 -0.298 -0.051 604 HG21 THR 97 HG21 THR 97 26.323 -1.174 2.202 605 HG22 THR 97 HG22 THR 97 25.596 -0.311 3.558 606 HG23 THR 97 HG23 THR 97 27.080 0.292 2.821 607 H GLU 98 H GLU 98 25.956 3.211 1.313 608 HA GLU 98 HA GLU 98 26.247 4.964 3.598 609 HB2 GLU 98 HB1 GLU 98 28.021 2.869 3.398 610 HB3 GLU 98 HB2 GLU 98 28.882 4.184 2.584 611 HG2 GLU 98 HG1 GLU 98 27.668 4.460 5.327 612 HG3 GLU 98 HG2 GLU 98 29.334 3.937 5.041 613 HE2 GLU 98 HE GLU 98 30.313 7.153 4.077 614 H ASN 99 H ASN 99 25.294 5.089 0.814 615 HA ASN 99 HA ASN 99 25.356 6.494 -0.972 616 HB2 ASN 99 HB1 ASN 99 25.507 8.107 1.053 617 HB3 ASN 99 HB2 ASN 99 27.201 8.290 0.583 618 HD21 ASN 99 HD21 ASN 99 24.977 10.213 0.569 619 HD22 ASN 99 HD22 ASN 99 24.899 10.819 -1.048 620 H LEU 100 H LEU 100 26.739 4.649 -1.824 621 HA LEU 100 HA LEU 100 29.557 5.121 -2.088 622 HB2 LEU 100 HB1 LEU 100 27.728 2.983 -2.573 623 HB3 LEU 100 HB2 LEU 100 28.646 3.294 -4.056 624 HG LEU 100 HG LEU 100 30.684 3.219 -2.338 625 HD11 LEU 100 HD11 LEU 100 28.724 2.648 -0.596 626 HD12 LEU 100 HD12 LEU 100 30.372 2.045 -0.437 627 HD13 LEU 100 HD13 LEU 100 29.124 1.020 -1.143 628 HD21 LEU 100 HD21 LEU 100 30.274 1.839 -4.386 629 HD22 LEU 100 HD22 LEU 100 29.380 0.707 -3.371 630 HD23 LEU 100 HD23 LEU 100 31.096 0.991 -3.076 631 H TYR 101 H TYR 101 30.691 5.601 -4.011 632 HA TYR 101 HA TYR 101 29.521 6.190 -6.484 633 HB2 TYR 101 HB1 TYR 101 28.781 8.102 -4.693 634 HB3 TYR 101 HB2 TYR 101 30.267 8.806 -5.334 635 HD1 TYR 101 HD1 TYR 101 30.480 9.286 -7.765 636 HD2 TYR 101 HD2 TYR 101 26.801 8.026 -6.038 637 HE1 TYR 101 HE1 TYR 101 29.277 10.085 -9.757 638 HE2 TYR 101 HE2 TYR 101 25.589 8.821 -8.025 639 HH TYR 101 HH TYR 101 26.337 10.826 -9.955 640 H PHE 102 H PHE 102 31.048 6.711 -8.029 641 HA PHE 102 HA PHE 102 33.723 7.483 -7.220 642 HB2 PHE 102 HB1 PHE 102 34.856 5.588 -8.143 643 HB3 PHE 102 HB2 PHE 102 33.644 4.983 -7.012 644 HD1 PHE 102 HD1 PHE 102 31.520 4.007 -7.862 645 HD2 PHE 102 HD2 PHE 102 34.759 5.000 -10.439 646 HE1 PHE 102 HE1 PHE 102 30.562 2.569 -9.614 647 HE2 PHE 102 HE2 PHE 102 33.805 3.565 -12.195 648 HZ PHE 102 HZ PHE 102 31.704 2.348 -11.784 649 H GLN 103 H GLN 103 34.696 8.699 -8.735 650 HA GLN 103 HA GLN 103 34.203 8.414 -11.531 651 HB2 GLN 103 HB1 GLN 103 33.303 10.794 -11.770 652 HB3 GLN 103 HB2 GLN 103 32.174 9.555 -11.195 653 HG2 GLN 103 HG1 GLN 103 32.144 10.376 -9.031 654 HG3 GLN 103 HG2 GLN 103 33.681 11.229 -9.236 655 HE21 GLN 103 HE21 GLN 103 33.301 13.312 -8.998 656 HE22 GLN 103 HE22 GLN 103 32.032 14.205 -9.757 657 H SER 104 H SER 104 36.420 8.566 -9.630 658 HA SER 104 HA SER 104 37.808 10.944 -10.682 659 HB2 SER 104 HB1 SER 104 38.804 9.463 -8.270 660 HB3 SER 104 HB2 SER 104 38.981 11.173 -8.694 661 HG SER 104 HG SER 104 36.762 9.845 -7.581 662 H LEU 105 H LEU 105 39.631 10.672 -11.832 663 HA LEU 105 HA LEU 105 41.370 8.462 -11.628 664 HB2 LEU 105 HB1 LEU 105 39.320 7.447 -12.744 665 HB3 LEU 105 HB2 LEU 105 39.733 8.446 -14.149 666 HG LEU 105 HG LEU 105 42.082 7.067 -13.521 667 HD11 LEU 105 HD11 LEU 105 41.614 4.939 -12.958 668 HD12 LEU 105 HD12 LEU 105 40.094 4.922 -13.851 669 HD13 LEU 105 HD13 LEU 105 40.167 5.658 -12.251 670 HD21 LEU 105 HD21 LEU 105 40.872 7.725 -15.733 671 HD22 LEU 105 HD22 LEU 105 40.169 6.112 -15.607 672 HD23 LEU 105 HD23 LEU 105 41.921 6.306 -15.692 673 H GLU 106 H GLU 106 43.251 9.375 -12.088 674 HA GLU 106 HA GLU 106 43.478 11.046 -14.483 675 HB2 GLU 106 HB1 GLU 106 43.958 11.869 -11.673 676 HB3 GLU 106 HB2 GLU 106 45.161 12.386 -12.865 677 HG2 GLU 106 HG1 GLU 106 43.666 13.715 -14.019 678 HG3 GLU 106 HG2 GLU 106 42.263 12.830 -13.407 679 HE2 GLU 106 HE GLU 106 42.888 14.573 -10.227 680 H HIS 107 H HIS 107 45.607 10.124 -11.777 681 HA HIS 107 HA HIS 107 47.614 9.055 -11.714 682 HB2 HIS 107 HB1 HIS 107 46.123 7.718 -13.879 683 HB3 HIS 107 HB2 HIS 107 47.876 7.522 -13.963 684 HD1 HIS 107 HD1 HIS 107 48.942 5.876 -12.396 685 HD2 HIS 107 HD2 HIS 107 44.991 6.694 -11.407 686 HE1 HIS 107 HE1 HIS 107 48.348 4.232 -10.589 687 HE2 HIS 107 HE2 HIS 107 45.933 4.731 -9.983 688 H HIS 108 H HIS 108 49.665 8.605 -13.161 689 HA HIS 108 HA HIS 108 50.023 10.795 -15.082 690 HB2 HIS 108 HB1 HIS 108 51.212 10.592 -12.452 691 HB3 HIS 108 HB2 HIS 108 52.462 10.580 -13.701 692 HD1 HIS 108 HD1 HIS 108 50.637 12.881 -11.704 693 HD2 HIS 108 HD2 HIS 108 51.970 12.861 -15.639 694 HE1 HIS 108 HE1 HIS 108 50.638 15.290 -12.426 695 HE2 HIS 108 HE2 HIS 108 51.452 15.279 -14.831 696 H HIS 109 H HIS 109 52.068 10.550 -16.347 697 HA HIS 109 HA HIS 109 53.373 8.015 -16.433 698 HB2 HIS 109 HB1 HIS 109 52.578 7.274 -18.620 699 HB3 HIS 109 HB2 HIS 109 51.241 7.369 -17.469 700 HD1 HIS 109 HD1 HIS 109 52.374 8.681 -20.711 701 HD2 HIS 109 HD2 HIS 109 49.473 9.602 -17.883 702 HE1 HIS 109 HE1 HIS 109 50.770 10.229 -21.874 703 HE2 HIS 109 HE2 HIS 109 48.996 10.794 -20.145 704 H HIS 110 H HIS 110 54.689 7.863 -18.586 705 HA HIS 110 HA HIS 110 55.354 10.399 -19.783 706 HB2 HIS 110 HB1 HIS 110 57.109 9.094 -17.736 707 HB3 HIS 110 HB2 HIS 110 57.856 9.954 -19.087 708 HD1 HIS 110 HD1 HIS 110 56.110 12.411 -19.336 709 HD2 HIS 110 HD2 HIS 110 57.342 10.864 -15.682 710 HE1 HIS 110 HE1 HIS 110 55.976 14.328 -17.715 711 HE2 HIS 110 HE2 HIS 110 56.728 13.386 -15.481 712 H HIS 111 H HIS 111 56.917 10.190 -21.522 713 HA HIS 111 HA HIS 111 57.980 7.700 -22.329 714 HB2 HIS 111 HB1 HIS 111 56.556 7.135 -24.185 715 HB3 HIS 111 HB2 HIS 111 55.561 7.240 -22.730 716 HD1 HIS 111 HD1 HIS 111 54.907 7.818 -25.948 717 HD2 HIS 111 HD2 HIS 111 54.940 10.450 -22.734 718 HE1 HIS 111 HE1 HIS 111 53.436 9.738 -26.637 719 HE2 HIS 111 HE2 HIS 111 53.455 11.348 -24.672 720 H HIS 112 H HIS 112 58.778 7.801 -24.646 721 HA HIS 112 HA HIS 112 60.163 8.838 -26.131 722 HB2 HIS 112 HB1 HIS 112 57.787 9.657 -26.746 723 HB3 HIS 112 HB2 HIS 112 58.290 11.192 -26.031 724 HD1 HIS 112 HD1 HIS 112 57.683 11.573 -28.823 725 HD2 HIS 112 HD2 HIS 112 61.387 10.083 -27.675 726 HE1 HIS 112 HE1 HIS 112 59.220 12.028 -30.760 727 HE2 HIS 112 HE2 HIS 112 61.485 11.117 -30.059 Start of MODEL 67 1 H1 MET 18 H MET 18 -67.200 -3.486 -18.694 2 HA MET 18 HA MET 18 -68.328 -2.542 -16.359 3 HB2 MET 18 HB1 MET 18 -66.224 -4.266 -17.064 4 HB3 MET 18 HB2 MET 18 -65.520 -3.080 -15.954 5 HG2 MET 18 HG1 MET 18 -66.541 -3.956 -14.177 6 HG3 MET 18 HG2 MET 18 -68.085 -4.062 -15.027 7 HE1 MET 18 HE1 MET 18 -68.777 -7.150 -14.356 8 HE2 MET 18 HE2 MET 18 -69.191 -5.738 -15.328 9 HE3 MET 18 HE3 MET 18 -68.716 -7.243 -16.117 10 H LEU 19 H LEU 19 -65.199 -1.498 -17.726 11 HA LEU 19 HA LEU 19 -65.293 0.892 -16.052 12 HB2 LEU 19 HB1 LEU 19 -63.243 -0.745 -16.625 13 HB3 LEU 19 HB2 LEU 19 -63.052 0.437 -17.931 14 HG LEU 19 HG LEU 19 -63.128 2.193 -16.019 15 HD11 LEU 19 HD11 LEU 19 -62.648 1.526 -13.869 16 HD12 LEU 19 HD12 LEU 19 -62.003 -0.033 -14.381 17 HD13 LEU 19 HD13 LEU 19 -63.744 0.249 -14.396 18 HD21 LEU 19 HD21 LEU 19 -61.138 2.111 -17.159 19 HD22 LEU 19 HD22 LEU 19 -60.890 0.396 -16.828 20 HD23 LEU 19 HD23 LEU 19 -60.621 1.589 -15.555 21 H VAL 20 H VAL 20 -65.055 3.001 -16.910 22 HA VAL 20 HA VAL 20 -65.983 3.244 -19.697 23 HB VAL 20 HB VAL 20 -67.587 4.090 -18.032 24 HG11 VAL 20 HG11 VAL 20 -67.072 6.047 -16.687 25 HG12 VAL 20 HG12 VAL 20 -65.961 4.730 -16.305 26 HG13 VAL 20 HG13 VAL 20 -65.425 6.070 -17.319 27 HG21 VAL 20 HG21 VAL 20 -68.212 5.815 -19.351 28 HG22 VAL 20 HG22 VAL 20 -66.636 6.600 -19.258 29 HG23 VAL 20 HG23 VAL 20 -66.883 5.246 -20.362 30 H LEU 21 H LEU 21 -64.968 4.640 -21.085 31 HA LEU 21 HA LEU 21 -62.260 5.355 -20.424 32 HB2 LEU 21 HB1 LEU 21 -63.548 4.648 -22.733 33 HB3 LEU 21 HB2 LEU 21 -63.377 6.401 -22.922 34 HG LEU 21 HG LEU 21 -61.104 4.479 -22.424 35 HD11 LEU 21 HD11 LEU 21 -60.696 4.397 -24.655 36 HD12 LEU 21 HD12 LEU 21 -61.402 5.984 -24.959 37 HD13 LEU 21 HD13 LEU 21 -62.449 4.588 -24.713 38 HD21 LEU 21 HD21 LEU 21 -61.334 7.348 -22.240 39 HD22 LEU 21 HD22 LEU 21 -60.177 6.884 -23.488 40 HD23 LEU 21 HD23 LEU 21 -59.974 6.300 -21.835 41 H ASP 22 H ASP 22 -61.534 7.264 -19.749 42 HA ASP 22 HA ASP 22 -63.076 9.685 -20.283 43 HB2 ASP 22 HB1 ASP 22 -62.605 10.329 -17.799 44 HB3 ASP 22 HB2 ASP 22 -63.988 9.296 -18.182 45 HD2 ASP 22 HD ASP 22 -62.698 6.650 -16.416 46 H PHE 23 H PHE 23 -60.197 8.412 -18.615 47 HA PHE 23 HA PHE 23 -58.452 10.057 -20.180 48 HB2 PHE 23 HB1 PHE 23 -57.487 11.316 -18.272 49 HB3 PHE 23 HB2 PHE 23 -59.159 11.761 -18.611 50 HD1 PHE 23 HD1 PHE 23 -57.057 9.722 -16.348 51 HD2 PHE 23 HD2 PHE 23 -60.826 11.597 -16.978 52 HE1 PHE 23 HE1 PHE 23 -57.673 9.259 -14.011 53 HE2 PHE 23 HE2 PHE 23 -61.448 11.137 -14.641 54 HZ PHE 23 HZ PHE 23 -59.871 9.969 -13.155 55 H ASN 24 H ASN 24 -56.295 9.434 -20.025 56 HA ASN 24 HA ASN 24 -55.632 7.326 -18.105 57 HB2 ASN 24 HB1 ASN 24 -56.422 6.368 -20.345 58 HB3 ASN 24 HB2 ASN 24 -54.935 7.040 -21.025 59 HD21 ASN 24 HD21 ASN 24 -54.218 4.960 -21.558 60 HD22 ASN 24 HD22 ASN 24 -53.585 3.889 -20.359 61 H ASN 25 H ASN 25 -54.836 9.984 -17.992 62 HA ASN 25 HA ASN 25 -52.304 10.416 -19.214 63 HB2 ASN 25 HB1 ASN 25 -53.812 11.751 -16.973 64 HB3 ASN 25 HB2 ASN 25 -52.154 12.227 -17.366 65 HD21 ASN 25 HD21 ASN 25 -53.871 14.169 -17.587 66 HD22 ASN 25 HD22 ASN 25 -54.280 14.509 -19.231 67 H ILE 26 H ILE 26 -50.370 9.671 -18.652 68 HA ILE 26 HA ILE 26 -50.018 8.607 -15.925 69 HB ILE 26 HB ILE 26 -48.327 7.038 -16.942 70 HG12 ILE 26 HG11 ILE 26 -49.678 7.192 -19.558 71 HG13 ILE 26 HG12 ILE 26 -48.626 8.567 -19.186 72 HG21 ILE 26 HG21 ILE 26 -50.252 5.630 -18.062 73 HG22 ILE 26 HG22 ILE 26 -50.229 5.929 -16.325 74 HG23 ILE 26 HG23 ILE 26 -51.267 6.896 -17.374 75 HD11 ILE 26 HD11 ILE 26 -47.008 6.525 -18.495 76 HD12 ILE 26 HD12 ILE 26 -47.930 5.787 -19.805 77 HD13 ILE 26 HD13 ILE 26 -47.034 7.279 -20.088 78 H ARG 27 H ARG 27 -48.125 9.066 -14.862 79 HA ARG 27 HA ARG 27 -46.283 10.916 -16.229 80 HB2 ARG 27 HB1 ARG 27 -47.894 11.571 -14.139 81 HB3 ARG 27 HB2 ARG 27 -46.430 11.055 -13.286 82 HG2 ARG 27 HG1 ARG 27 -45.725 13.151 -13.567 83 HG3 ARG 27 HG2 ARG 27 -45.413 12.669 -15.243 84 HD2 ARG 27 HD1 ARG 27 -48.091 13.269 -15.313 85 HD3 ARG 27 HD2 ARG 27 -47.464 14.448 -14.150 86 HE ARG 27 HE ARG 27 -45.726 14.577 -16.254 87 HH11 ARG 27 HH11 ARG 27 -49.168 14.926 -15.870 88 HH12 ARG 27 HH12 ARG 27 -49.333 16.046 -17.181 89 HH21 ARG 27 HH21 ARG 27 -45.928 16.051 -17.983 90 HH22 ARG 27 HH22 ARG 27 -47.489 16.685 -18.382 91 H SER 28 H SER 28 -44.325 10.095 -16.495 92 HA SER 28 HA SER 28 -43.024 8.646 -14.355 93 HB2 SER 28 HB1 SER 28 -43.569 7.342 -17.040 94 HB3 SER 28 HB2 SER 28 -42.441 6.713 -15.826 95 HG SER 28 HG SER 28 -45.249 6.992 -15.611 96 H SER 29 H SER 29 -42.522 11.149 -15.528 97 HA SER 29 HA SER 29 -40.080 10.666 -17.099 98 HB2 SER 29 HB1 SER 29 -40.427 12.624 -18.231 99 HB3 SER 29 HB2 SER 29 -42.109 12.276 -17.793 100 HG SER 29 HG SER 29 -41.644 13.576 -15.844 101 H ALA 30 H ALA 30 -38.132 11.277 -16.341 102 HA ALA 30 HA ALA 30 -37.723 13.251 -14.350 103 HB1 ALA 30 HB1 ALA 30 -37.037 11.870 -12.489 104 HB2 ALA 30 HB2 ALA 30 -38.706 11.497 -12.921 105 HB3 ALA 30 HB3 ALA 30 -37.405 10.407 -13.401 106 H ASP 31 H ASP 31 -35.385 13.008 -13.424 107 HA ASP 31 HA ASP 31 -33.511 11.540 -15.002 108 HB2 ASP 31 HB1 ASP 31 -34.299 13.590 -16.422 109 HB3 ASP 31 HB2 ASP 31 -33.250 14.510 -15.333 110 HD2 ASP 31 HD ASP 31 -30.806 11.959 -16.800 111 H LEU 32 H LEU 32 -34.060 14.286 -12.844 112 HA LEU 32 HA LEU 32 -33.070 14.869 -10.877 113 HB2 LEU 32 HB1 LEU 32 -32.602 12.084 -11.103 114 HB3 LEU 32 HB2 LEU 32 -31.091 12.835 -10.559 115 HG LEU 32 HG LEU 32 -32.733 14.000 -8.825 116 HD11 LEU 32 HD11 LEU 32 -34.562 12.479 -10.083 117 HD12 LEU 32 HD12 LEU 32 -34.687 12.968 -8.394 118 HD13 LEU 32 HD13 LEU 32 -34.060 11.372 -8.805 119 HD21 LEU 32 HD21 LEU 32 -30.828 12.018 -8.747 120 HD22 LEU 32 HD22 LEU 32 -32.223 11.261 -7.979 121 HD23 LEU 32 HD23 LEU 32 -31.586 12.780 -7.349 122 H HIS 33 H HIS 33 -30.420 13.159 -12.536 123 HA HIS 33 HA HIS 33 -28.368 13.846 -13.235 124 HB2 HIS 33 HB1 HIS 33 -30.083 15.518 -14.423 125 HB3 HIS 33 HB2 HIS 33 -29.223 16.693 -13.424 126 HD1 HIS 33 HD1 HIS 33 -28.736 14.424 -16.349 127 HD2 HIS 33 HD2 HIS 33 -26.559 17.189 -14.142 128 HE1 HIS 33 HE1 HIS 33 -26.658 14.869 -17.692 129 HE2 HIS 33 HE2 HIS 33 -25.326 16.559 -16.345 130 H GLY 34 H GLY 34 -28.928 13.832 -10.423 131 HA2 GLY 34 HA2 GLY 34 -27.686 16.183 -9.283 132 HA3 GLY 34 HA3 GLY 34 -28.223 14.756 -8.409 133 HA1 GLY 34 HA1 GLY 34 -27.284 15.832 -9.984 134 H ALA 35 H ALA 35 -25.618 16.461 -8.727 135 HA ALA 35 HA ALA 35 -23.853 14.187 -8.376 136 HB1 ALA 35 HB1 ALA 35 -22.180 15.262 -9.998 137 HB2 ALA 35 HB2 ALA 35 -23.526 14.347 -10.680 138 HB3 ALA 35 HB3 ALA 35 -23.578 16.109 -10.661 139 H ARG 36 H ARG 36 -22.487 14.587 -6.760 140 HA ARG 36 HA ARG 36 -21.648 17.347 -6.236 141 HB2 ARG 36 HB1 ARG 36 -23.367 15.686 -4.548 142 HB3 ARG 36 HB2 ARG 36 -21.938 16.295 -3.698 143 HG2 ARG 36 HG1 ARG 36 -23.259 18.349 -5.295 144 HG3 ARG 36 HG2 ARG 36 -24.303 17.645 -4.048 145 HD2 ARG 36 HD1 ARG 36 -21.635 18.161 -3.026 146 HD3 ARG 36 HD2 ARG 36 -22.375 19.621 -3.697 147 HE ARG 36 HE ARG 36 -24.167 18.202 -1.985 148 HH11 ARG 36 HH11 ARG 36 -21.485 20.421 -2.029 149 HH12 ARG 36 HH12 ARG 36 -21.882 21.135 -0.502 150 HH21 ARG 36 HH21 ARG 36 -24.699 19.134 0.027 151 HH22 ARG 36 HH22 ARG 36 -23.710 20.401 0.667 152 H LYS 37 H LYS 37 -21.286 14.105 -4.785 153 HA LYS 37 HA LYS 37 -19.451 12.898 -4.196 154 HB2 LYS 37 HB1 LYS 37 -18.870 14.075 -6.757 155 HB3 LYS 37 HB2 LYS 37 -17.386 13.979 -5.795 156 HG2 LYS 37 HG1 LYS 37 -17.241 11.767 -6.025 157 HG3 LYS 37 HG2 LYS 37 -18.963 11.538 -5.672 158 HD2 LYS 37 HD1 LYS 37 -19.360 12.457 -8.057 159 HD3 LYS 37 HD2 LYS 37 -17.642 12.101 -8.306 160 HE2 LYS 37 HE1 LYS 37 -17.940 9.834 -8.209 161 HE3 LYS 37 HE2 LYS 37 -19.314 9.966 -7.103 162 HZ1 LYS 37 HZ1 LYS 37 -19.299 10.388 -10.033 163 HZ2 LYS 37 HZ2 LYS 37 -20.581 10.897 -9.054 164 HZ3 LYS 37 HZ3 LYS 37 -20.188 9.254 -9.146 165 H GLY 38 H GLY 38 -16.949 13.225 -3.634 166 HA2 GLY 38 HA2 GLY 38 -16.476 15.854 -2.453 167 HA3 GLY 38 HA3 GLY 38 -16.604 14.499 -1.340 168 HA1 GLY 38 HA1 GLY 38 -16.211 15.460 -3.195 169 H SER 39 H SER 39 -14.956 12.984 -1.229 170 HA SER 39 HA SER 39 -12.521 13.661 -2.745 171 HB2 SER 39 HB1 SER 39 -11.282 12.764 -0.688 172 HB3 SER 39 HB2 SER 39 -12.070 14.342 -0.521 173 HG SER 39 HG SER 39 -13.655 13.448 0.687 174 H GLN 40 H GLN 40 -10.884 11.741 -2.531 175 HA GLN 40 HA GLN 40 -12.338 9.349 -3.396 176 HB2 GLN 40 HB1 GLN 40 -10.389 10.623 -4.685 177 HB3 GLN 40 HB2 GLN 40 -9.381 9.575 -3.674 178 HG2 GLN 40 HG1 GLN 40 -11.622 8.278 -5.112 179 HG3 GLN 40 HG2 GLN 40 -10.265 8.862 -6.087 180 HE21 GLN 40 HE21 GLN 40 -11.433 6.260 -4.485 181 HE22 GLN 40 HE22 GLN 40 -9.961 5.402 -4.200 182 H CYS 41 H CYS 41 -9.367 10.088 -1.559 183 HA CYS 41 HA CYS 41 -10.137 8.166 0.477 184 HB2 CYS 41 HB1 CYS 41 -8.044 6.905 0.346 185 HB3 CYS 41 HB2 CYS 41 -8.957 6.771 -1.156 186 H LEU 42 H LEU 42 -8.985 8.400 2.435 187 HA LEU 42 HA LEU 42 -7.729 11.025 2.715 188 HB2 LEU 42 HB1 LEU 42 -9.538 9.523 4.275 189 HB3 LEU 42 HB2 LEU 42 -8.024 9.616 5.193 190 HG LEU 42 HG LEU 42 -9.558 11.397 5.832 191 HD11 LEU 42 HD11 LEU 42 -7.069 12.230 4.366 192 HD12 LEU 42 HD12 LEU 42 -7.274 11.937 6.094 193 HD13 LEU 42 HD13 LEU 42 -8.029 13.342 5.342 194 HD21 LEU 42 HD21 LEU 42 -9.262 12.785 3.234 195 HD22 LEU 42 HD22 LEU 42 -10.587 12.824 4.398 196 HD23 LEU 42 HD23 LEU 42 -10.412 11.450 3.306 197 H SER 43 H SER 43 -7.026 7.629 2.930 198 HA SER 43 HA SER 43 -4.198 8.225 3.184 199 HB2 SER 43 HB1 SER 43 -5.259 6.148 5.071 200 HB3 SER 43 HB2 SER 43 -3.778 7.117 5.176 201 HG SER 43 HG SER 43 -6.339 7.710 6.021 202 H ASP 44 H ASP 44 -2.895 6.133 3.048 203 HA ASP 44 HA ASP 44 -3.608 4.766 0.701 204 HB2 ASP 44 HB1 ASP 44 -1.686 3.300 1.185 205 HB3 ASP 44 HB2 ASP 44 -1.283 5.009 1.399 206 HD2 ASP 44 HD ASP 44 -1.177 2.635 4.545 207 H THR 45 H THR 45 -4.292 4.140 4.040 208 HA THR 45 HA THR 45 -4.791 1.406 4.015 209 HB THR 45 HB THR 45 -6.423 1.869 5.870 210 HG1 THR 45 HG1 THR 45 -7.181 3.899 5.277 211 HG21 THR 45 HG21 THR 45 -4.474 1.590 6.946 212 HG22 THR 45 HG22 THR 45 -4.459 3.347 7.097 213 HG23 THR 45 HG23 THR 45 -3.588 2.567 5.777 214 H ASP 46 H ASP 46 -6.628 4.023 2.673 215 HA ASP 46 HA ASP 46 -9.112 2.653 2.445 216 HB2 ASP 46 HB1 ASP 46 -8.194 5.253 1.998 217 HB3 ASP 46 HB2 ASP 46 -8.688 4.673 0.401 218 HD2 ASP 46 HD ASP 46 -12.035 4.686 1.250 219 H CYS 47 H CYS 47 -6.203 2.744 0.552 220 HA CYS 47 HA CYS 47 -7.495 1.366 -1.682 221 HB2 CYS 47 HB1 CYS 47 -4.989 2.902 -1.300 222 HB3 CYS 47 HB2 CYS 47 -4.894 1.543 -2.421 223 H ASN 48 H ASN 48 -4.366 0.930 -0.028 224 HA ASN 48 HA ASN 48 -3.217 -0.937 0.579 225 HB2 ASN 48 HB1 ASN 48 -6.067 -1.630 1.161 226 HB3 ASN 48 HB2 ASN 48 -4.855 -2.914 1.262 227 HD21 ASN 48 HD21 ASN 48 -6.167 -2.305 3.500 228 HD22 ASN 48 HD22 ASN 48 -5.149 -1.453 4.607 229 H THR 49 H THR 49 -4.104 -0.554 -2.249 230 HA THR 49 HA THR 49 -4.015 -3.357 -3.148 231 HB THR 49 HB THR 49 -4.759 -1.043 -4.920 232 HG1 THR 49 HG1 THR 49 -6.451 -2.538 -3.181 233 HG21 THR 49 HG21 THR 49 -6.131 -3.553 -5.327 234 HG22 THR 49 HG22 THR 49 -4.382 -3.777 -5.346 235 HG23 THR 49 HG23 THR 49 -5.135 -2.625 -6.448 236 H ARG 50 H ARG 50 -1.634 -2.327 -2.313 237 HA ARG 50 HA ARG 50 0.537 -2.107 -2.953 238 HB2 ARG 50 HB1 ARG 50 -0.262 -2.617 -5.807 239 HB3 ARG 50 HB2 ARG 50 1.230 -3.069 -4.971 240 HG2 ARG 50 HG1 ARG 50 -1.494 -4.289 -4.519 241 HG3 ARG 50 HG2 ARG 50 -0.147 -5.020 -5.407 242 HD2 ARG 50 HD1 ARG 50 -0.024 -4.219 -2.493 243 HD3 ARG 50 HD2 ARG 50 -0.398 -5.849 -3.068 244 HE ARG 50 HE ARG 50 1.954 -5.315 -4.281 245 HH11 ARG 50 HH11 ARG 50 0.875 -5.104 -0.977 246 HH12 ARG 50 HH12 ARG 50 2.440 -5.435 -0.309 247 HH21 ARG 50 HH21 ARG 50 4.018 -5.751 -3.413 248 HH22 ARG 50 HH22 ARG 50 4.226 -5.801 -1.696 249 H LYS 51 H LYS 51 -1.374 0.144 -3.074 250 HA LYS 51 HA LYS 51 0.322 1.956 -4.610 251 HB2 LYS 51 HB1 LYS 51 -2.694 1.871 -4.882 252 HB3 LYS 51 HB2 LYS 51 -1.633 3.099 -5.590 253 HG2 LYS 51 HG1 LYS 51 -0.480 1.215 -6.832 254 HG3 LYS 51 HG2 LYS 51 -1.823 0.187 -6.303 255 HD2 LYS 51 HD1 LYS 51 -3.400 1.850 -7.344 256 HD3 LYS 51 HD2 LYS 51 -1.977 2.655 -8.029 257 HE2 LYS 51 HE1 LYS 51 -2.601 1.269 -9.773 258 HE3 LYS 51 HE2 LYS 51 -1.398 0.281 -8.931 259 HZ1 LYS 51 HZ1 LYS 51 -4.256 0.043 -8.250 260 HZ2 LYS 51 HZ2 LYS 51 -3.015 -1.086 -8.035 261 HZ3 LYS 51 HZ3 LYS 51 -3.622 -0.782 -9.585 262 H PHE 52 H PHE 52 0.223 4.140 -3.914 263 HA PHE 52 HA PHE 52 -0.804 4.415 -1.178 264 HB2 PHE 52 HB1 PHE 52 0.777 6.339 -1.013 265 HB3 PHE 52 HB2 PHE 52 1.569 4.795 -1.330 266 HD1 PHE 52 HD1 PHE 52 2.964 4.502 -3.177 267 HD2 PHE 52 HD2 PHE 52 0.388 7.886 -2.999 268 HE1 PHE 52 HE1 PHE 52 4.082 5.452 -5.151 269 HE2 PHE 52 HE2 PHE 52 1.502 8.841 -4.973 270 HZ PHE 52 HZ PHE 52 3.351 7.624 -6.054 271 H CYS 53 H CYS 53 -1.711 6.490 -0.535 272 HA CYS 53 HA CYS 53 -3.374 7.600 -2.674 273 HB2 CYS 53 HB1 CYS 53 -3.628 7.345 0.286 274 HB3 CYS 53 HB2 CYS 53 -4.419 8.720 -0.484 275 H LEU 54 H LEU 54 -2.236 9.173 -3.680 276 HA LEU 54 HA LEU 54 -0.642 11.063 -2.180 277 HB2 LEU 54 HB1 LEU 54 0.169 10.283 -4.326 278 HB3 LEU 54 HB2 LEU 54 -1.303 10.873 -5.115 279 HG LEU 54 HG LEU 54 -0.336 13.158 -3.975 280 HD11 LEU 54 HD11 LEU 54 1.919 11.293 -4.442 281 HD12 LEU 54 HD12 LEU 54 1.749 12.598 -3.270 282 HD13 LEU 54 HD13 LEU 54 2.125 12.968 -4.953 283 HD21 LEU 54 HD21 LEU 54 -0.854 13.601 -6.100 284 HD22 LEU 54 HD22 LEU 54 -0.485 11.957 -6.621 285 HD23 LEU 54 HD23 LEU 54 0.809 13.149 -6.479 286 H GLN 55 H GLN 55 -1.217 13.064 -1.578 287 HA GLN 55 HA GLN 55 -3.821 14.077 -2.514 288 HB2 GLN 55 HB1 GLN 55 -3.889 15.290 -0.282 289 HB3 GLN 55 HB2 GLN 55 -4.112 13.533 -0.233 290 HG2 GLN 55 HG1 GLN 55 -2.223 13.175 0.929 291 HG3 GLN 55 HG2 GLN 55 -1.336 14.439 0.066 292 HE21 GLN 55 HE21 GLN 55 -1.477 13.834 2.928 293 HE22 GLN 55 HE22 GLN 55 -2.007 15.290 3.692 294 HA PRO 56 HA PRO 56 -0.729 17.145 -3.930 295 HB2 PRO 56 HB1 PRO 56 -2.158 17.875 -6.151 296 HB3 PRO 56 HB2 PRO 56 -1.089 16.474 -6.098 297 HG2 PRO 56 HG1 PRO 56 -4.065 16.612 -5.743 298 HG3 PRO 56 HG2 PRO 56 -3.085 15.458 -6.723 299 HD2 PRO 56 HD1 PRO 56 -4.104 14.817 -4.289 300 HD3 PRO 56 HD2 PRO 56 -2.554 14.187 -4.874 301 H ARG 57 H ARG 57 -0.792 19.398 -3.879 302 HA ARG 57 HA ARG 57 -2.991 20.516 -2.373 303 HB2 ARG 57 HB1 ARG 57 -0.240 21.039 -2.604 304 HB3 ARG 57 HB2 ARG 57 -1.056 22.469 -3.253 305 HG2 ARG 57 HG1 ARG 57 -1.040 23.122 -1.098 306 HG3 ARG 57 HG2 ARG 57 -2.494 22.111 -1.017 307 HD2 ARG 57 HD1 ARG 57 -0.755 20.191 -0.522 308 HD3 ARG 57 HD2 ARG 57 0.261 21.553 -0.024 309 HE ARG 57 HE ARG 57 -1.995 20.490 1.376 310 HH11 ARG 57 HH11 ARG 57 -0.137 23.376 0.793 311 HH12 ARG 57 HH12 ARG 57 -0.573 24.118 2.297 312 HH21 ARG 57 HH21 ARG 57 -2.576 21.456 3.359 313 HH22 ARG 57 HH22 ARG 57 -1.960 23.025 3.756 314 H ASP 58 H ASP 58 -1.816 20.553 -5.644 315 HA ASP 58 HA ASP 58 -3.536 22.766 -6.411 316 HB2 ASP 58 HB1 ASP 58 -1.810 20.986 -8.154 317 HB3 ASP 58 HB2 ASP 58 -2.561 22.516 -8.625 318 HD2 ASP 58 HD ASP 58 0.908 23.082 -7.589 319 H GLU 59 H GLU 59 -3.582 19.321 -6.350 320 HA GLU 59 HA GLU 59 -6.115 19.344 -7.854 321 HB2 GLU 59 HB1 GLU 59 -3.727 17.814 -8.307 322 HB3 GLU 59 HB2 GLU 59 -5.054 16.723 -7.882 323 HG2 GLU 59 HG1 GLU 59 -6.427 17.960 -9.644 324 HG3 GLU 59 HG2 GLU 59 -4.883 18.638 -10.181 325 HE2 GLU 59 HE GLU 59 -5.811 15.110 -11.428 326 H LYS 60 H LYS 60 -7.228 17.037 -7.344 327 HA LYS 60 HA LYS 60 -7.758 17.143 -4.489 328 HB2 LYS 60 HB1 LYS 60 -9.165 16.200 -6.898 329 HB3 LYS 60 HB2 LYS 60 -9.390 15.178 -5.469 330 HG2 LYS 60 HG1 LYS 60 -10.756 16.643 -4.495 331 HG3 LYS 60 HG2 LYS 60 -9.682 18.003 -4.864 332 HD2 LYS 60 HD1 LYS 60 -10.601 17.576 -7.328 333 HD3 LYS 60 HD2 LYS 60 -11.969 16.913 -6.417 334 HE2 LYS 60 HE1 LYS 60 -11.987 19.071 -5.086 335 HE3 LYS 60 HE2 LYS 60 -10.835 19.699 -6.272 336 HZ1 LYS 60 HZ1 LYS 60 -12.860 18.638 -7.777 337 HZ2 LYS 60 HZ2 LYS 60 -12.597 20.280 -7.466 338 HZ3 LYS 60 HZ3 LYS 60 -13.661 19.395 -6.493 339 HA PRO 61 HA PRO 61 -5.601 13.516 -3.290 340 HB2 PRO 61 HB1 PRO 61 -7.334 12.356 -1.514 341 HB3 PRO 61 HB2 PRO 61 -6.434 13.833 -1.171 342 HG2 PRO 61 HG1 PRO 61 -9.257 13.503 -2.132 343 HG3 PRO 61 HG2 PRO 61 -8.611 14.579 -0.838 344 HD2 PRO 61 HD1 PRO 61 -9.218 15.479 -3.327 345 HD3 PRO 61 HD2 PRO 61 -7.885 16.144 -2.366 346 H PHE 62 H PHE 62 -5.232 11.638 -4.279 347 HA PHE 62 HA PHE 62 -7.423 9.832 -4.895 348 HB2 PHE 62 HB1 PHE 62 -6.558 9.568 -7.274 349 HB3 PHE 62 HB2 PHE 62 -7.453 11.048 -6.927 350 HD1 PHE 62 HD1 PHE 62 -6.598 13.039 -7.674 351 HD2 PHE 62 HD2 PHE 62 -3.931 9.817 -6.887 352 HE1 PHE 62 HE1 PHE 62 -4.720 14.400 -8.495 353 HE2 PHE 62 HE2 PHE 62 -2.047 11.172 -7.707 354 HZ PHE 62 HZ PHE 62 -2.440 13.466 -8.511 355 H CYS 63 H CYS 63 -6.462 7.798 -6.030 356 HA CYS 63 HA CYS 63 -4.162 6.989 -4.425 357 HB2 CYS 63 HB1 CYS 63 -6.488 5.721 -4.861 358 HB3 CYS 63 HB2 CYS 63 -5.552 5.052 -6.199 359 H ALA 64 H ALA 64 -2.196 7.068 -5.261 360 HA ALA 64 HA ALA 64 -1.887 6.916 -8.183 361 HB1 ALA 64 HB1 ALA 64 -0.775 8.826 -7.797 362 HB2 ALA 64 HB2 ALA 64 -0.555 8.468 -6.083 363 HB3 ALA 64 HB3 ALA 64 0.533 7.763 -7.277 364 H THR 65 H THR 65 -0.424 5.512 -9.115 365 HA THR 65 HA THR 65 0.070 3.085 -7.708 366 HB THR 65 HB THR 65 1.551 3.617 -10.226 367 HG1 THR 65 HG1 THR 65 -0.295 3.613 -11.462 368 HG21 THR 65 HG21 THR 65 -0.060 1.359 -10.454 369 HG22 THR 65 HG22 THR 65 0.437 1.380 -8.761 370 HG23 THR 65 HG23 THR 65 1.653 1.394 -10.039 371 H CYS 66 H CYS 66 2.310 2.052 -7.802 372 HA CYS 66 HA CYS 66 4.058 3.499 -6.156 373 HB2 CYS 66 HB1 CYS 66 4.070 1.094 -6.119 374 HB3 CYS 66 HB2 CYS 66 4.507 1.021 -7.827 375 H ARG 67 H ARG 67 5.812 4.744 -6.534 376 HA ARG 67 HA ARG 67 6.242 5.624 -9.273 377 HB2 ARG 67 HB1 ARG 67 7.465 6.636 -6.694 378 HB3 ARG 67 HB2 ARG 67 7.574 7.413 -8.280 379 HG2 ARG 67 HG1 ARG 67 4.869 6.878 -7.145 380 HG3 ARG 67 HG2 ARG 67 5.831 8.215 -6.490 381 HD2 ARG 67 HD1 ARG 67 5.732 8.058 -9.439 382 HD3 ARG 67 HD2 ARG 67 4.198 8.424 -8.638 383 HE ARG 67 HE ARG 67 6.514 10.128 -8.810 384 HH11 ARG 67 HH11 ARG 67 3.570 9.432 -7.087 385 HH12 ARG 67 HH12 ARG 67 3.406 11.036 -6.457 386 HH21 ARG 67 HH21 ARG 67 6.310 12.245 -7.984 387 HH22 ARG 67 HH22 ARG 67 4.965 12.637 -6.967 388 H GLY 68 H GLY 68 8.175 5.482 -10.384 389 HA2 GLY 68 HA2 GLY 68 9.730 3.210 -10.073 390 HA3 GLY 68 HA3 GLY 68 10.218 4.629 -10.990 391 HA1 GLY 68 HA1 GLY 68 9.518 3.560 -9.290 392 H LEU 69 H LEU 69 12.226 3.338 -9.902 393 HA LEU 69 HA LEU 69 12.811 4.198 -7.222 394 HB2 LEU 69 HB1 LEU 69 14.294 2.708 -9.358 395 HB3 LEU 69 HB2 LEU 69 15.160 3.336 -7.945 396 HG LEU 69 HG LEU 69 12.878 1.362 -7.876 397 HD11 LEU 69 HD11 LEU 69 15.793 1.086 -8.063 398 HD12 LEU 69 HD12 LEU 69 14.511 -0.054 -8.475 399 HD13 LEU 69 HD13 LEU 69 15.033 0.119 -6.799 400 HD21 LEU 69 HD21 LEU 69 13.713 1.142 -5.467 401 HD22 LEU 69 HD22 LEU 69 12.741 2.557 -5.871 402 HD23 LEU 69 HD23 LEU 69 14.494 2.702 -5.732 403 H ARG 70 H ARG 70 12.941 5.668 -10.234 404 HA ARG 70 HA ARG 70 15.156 7.438 -9.503 405 HB2 ARG 70 HB1 ARG 70 13.572 7.331 -12.081 406 HB3 ARG 70 HB2 ARG 70 15.066 8.236 -11.792 407 HG2 ARG 70 HG1 ARG 70 15.877 5.730 -11.148 408 HG3 ARG 70 HG2 ARG 70 14.672 5.393 -12.403 409 HD2 ARG 70 HD1 ARG 70 16.806 7.481 -12.799 410 HD3 ARG 70 HD2 ARG 70 17.105 5.768 -13.133 411 HE ARG 70 HE ARG 70 15.536 7.587 -14.705 412 HH11 ARG 70 HH11 ARG 70 16.042 4.246 -13.866 413 HH12 ARG 70 HH12 ARG 70 15.363 3.638 -15.339 414 HH21 ARG 70 HH21 ARG 70 14.639 6.797 -16.649 415 HH22 ARG 70 HH22 ARG 70 14.565 5.090 -16.921 416 H ARG 71 H ARG 71 11.710 7.337 -9.743 417 HA ARG 71 HA ARG 71 11.078 10.027 -10.054 418 HB2 ARG 71 HB1 ARG 71 9.724 7.620 -9.317 419 HB3 ARG 71 HB2 ARG 71 9.246 8.904 -8.197 420 HG2 ARG 71 HG1 ARG 71 7.710 8.792 -10.073 421 HG3 ARG 71 HG2 ARG 71 8.606 10.322 -10.079 422 HD2 ARG 71 HD1 ARG 71 9.864 9.751 -11.931 423 HD3 ARG 71 HD2 ARG 71 9.679 8.017 -11.634 424 HE ARG 71 HE ARG 71 7.157 8.849 -12.223 425 HH11 ARG 71 HH11 ARG 71 10.244 9.106 -13.812 426 HH12 ARG 71 HH12 ARG 71 9.569 9.108 -15.408 427 HH21 ARG 71 HH21 ARG 71 6.256 8.850 -14.319 428 HH22 ARG 71 HH22 ARG 71 7.301 8.963 -15.695 429 H ARG 72 H ARG 72 11.099 11.774 -8.756 430 HA ARG 72 HA ARG 72 12.600 11.681 -6.333 431 HB2 ARG 72 HB1 ARG 72 10.932 13.951 -7.442 432 HB3 ARG 72 HB2 ARG 72 12.204 14.077 -6.218 433 HG2 ARG 72 HG1 ARG 72 13.204 12.806 -8.615 434 HG3 ARG 72 HG2 ARG 72 12.485 14.388 -8.965 435 HD2 ARG 72 HD1 ARG 72 13.870 15.131 -6.843 436 HD3 ARG 72 HD2 ARG 72 14.833 13.707 -7.263 437 HE ARG 72 HE ARG 72 14.386 15.382 -9.525 438 HH11 ARG 72 HH11 ARG 72 16.314 15.016 -6.650 439 HH12 ARG 72 HH12 ARG 72 17.658 15.911 -7.279 440 HH21 ARG 72 HH21 ARG 72 16.147 16.563 -10.365 441 HH22 ARG 72 HH22 ARG 72 17.561 16.792 -9.392 442 H CYS 73 H CYS 73 11.874 12.363 -4.235 443 HA CYS 73 HA CYS 73 9.033 12.415 -3.696 444 HB2 CYS 73 HB1 CYS 73 9.123 10.551 -2.069 445 HB3 CYS 73 HB2 CYS 73 9.400 10.021 -3.729 446 H GLN 74 H GLN 74 8.529 13.128 -1.572 447 HA GLN 74 HA GLN 74 10.757 14.552 -0.300 448 HB2 GLN 74 HB1 GLN 74 7.766 14.948 -0.039 449 HB3 GLN 74 HB2 GLN 74 9.003 15.924 0.770 450 HG2 GLN 74 HG1 GLN 74 9.612 15.908 -1.999 451 HG3 GLN 74 HG2 GLN 74 7.886 16.253 -1.820 452 HE21 GLN 74 HE21 GLN 74 11.011 17.501 -1.646 453 HE22 GLN 74 HE22 GLN 74 10.626 19.049 -0.980 454 H ARG 75 H ARG 75 8.427 12.048 0.210 455 HA ARG 75 HA ARG 75 9.594 11.535 2.844 456 HB2 ARG 75 HB1 ARG 75 6.713 12.068 2.241 457 HB3 ARG 75 HB2 ARG 75 7.115 10.870 3.482 458 HG2 ARG 75 HG1 ARG 75 7.893 12.416 4.947 459 HG3 ARG 75 HG2 ARG 75 8.484 13.484 3.664 460 HD2 ARG 75 HD1 ARG 75 5.645 13.332 3.440 461 HD3 ARG 75 HD2 ARG 75 6.056 13.654 5.131 462 HE ARG 75 HE ARG 75 6.377 15.440 2.909 463 HH11 ARG 75 HH11 ARG 75 7.541 14.606 6.083 464 HH12 ARG 75 HH12 ARG 75 8.147 16.194 6.420 465 HH21 ARG 75 HH21 ARG 75 7.171 17.533 3.341 466 HH22 ARG 75 HH22 ARG 75 7.936 17.858 4.860 467 H ASP 76 H ASP 76 9.129 9.337 3.629 468 HA ASP 76 HA ASP 76 9.392 7.440 1.482 469 HB2 ASP 76 HB1 ASP 76 9.058 6.647 4.359 470 HB3 ASP 76 HB2 ASP 76 10.050 5.899 3.100 471 HD2 ASP 76 HD ASP 76 11.633 8.713 5.312 472 H ALA 77 H ALA 77 6.854 8.583 3.518 473 HA ALA 77 HA ALA 77 5.130 6.325 3.281 474 HB1 ALA 77 HB1 ALA 77 4.955 8.012 5.087 475 HB2 ALA 77 HB2 ALA 77 4.377 9.178 3.896 476 HB3 ALA 77 HB3 ALA 77 3.432 7.730 4.245 477 H MET 78 H MET 78 5.417 9.404 1.552 478 HA MET 78 HA MET 78 3.168 9.125 -0.095 479 HB2 MET 78 HB1 MET 78 4.124 10.835 -1.478 480 HB3 MET 78 HB2 MET 78 4.501 11.217 0.209 481 HG2 MET 78 HG1 MET 78 6.658 11.324 -0.269 482 HG3 MET 78 HG2 MET 78 6.621 9.640 -0.800 483 HE1 MET 78 HE1 MET 78 7.484 9.574 -4.125 484 HE2 MET 78 HE2 MET 78 6.767 8.778 -2.724 485 HE3 MET 78 HE3 MET 78 5.735 9.353 -4.036 486 H CYS 79 H CYS 79 6.187 7.507 -0.129 487 HA CYS 79 HA CYS 79 5.897 6.657 -2.907 488 HB2 CYS 79 HB1 CYS 79 8.090 7.002 -1.107 489 HB3 CYS 79 HB2 CYS 79 8.047 5.311 -1.609 490 H CYS 80 H CYS 80 5.709 4.480 -3.523 491 HA CYS 80 HA CYS 80 3.880 2.934 -2.159 492 HB2 CYS 80 HB1 CYS 80 4.739 1.018 -3.571 493 HB3 CYS 80 HB2 CYS 80 4.258 2.465 -4.457 494 HA PRO 81 HA PRO 81 5.963 0.867 1.103 495 HB2 PRO 81 HB1 PRO 81 4.701 -1.564 1.106 496 HB3 PRO 81 HB2 PRO 81 3.938 -0.071 1.650 497 HG2 PRO 81 HG1 PRO 81 3.750 -1.444 -1.010 498 HG3 PRO 81 HG2 PRO 81 2.438 -0.733 0.001 499 HD2 PRO 81 HD1 PRO 81 3.476 0.540 -2.160 500 HD3 PRO 81 HD2 PRO 81 2.905 1.405 -0.723 501 H GLY 82 H GLY 82 7.682 -0.479 1.507 502 HA2 GLY 82 HA2 GLY 82 8.994 -2.445 1.033 503 HA3 GLY 82 HA3 GLY 82 8.504 -2.312 -0.648 504 HA1 GLY 82 HA1 GLY 82 9.072 -1.599 1.272 505 H THR 83 H THR 83 8.999 0.710 -0.310 506 HA THR 83 HA THR 83 11.927 0.572 -0.629 507 HB THR 83 HB THR 83 11.707 2.508 -2.191 508 HG1 THR 83 HG1 THR 83 8.929 1.869 -2.099 509 HG21 THR 83 HG21 THR 83 11.779 0.985 -3.815 510 HG22 THR 83 HG22 THR 83 10.048 0.685 -3.657 511 HG23 THR 83 HG23 THR 83 11.194 -0.219 -2.668 512 H LEU 84 H LEU 84 12.904 2.880 -0.445 513 HA LEU 84 HA LEU 84 11.594 4.392 1.701 514 HB2 LEU 84 HB1 LEU 84 13.458 2.685 2.409 515 HB3 LEU 84 HB2 LEU 84 14.543 3.949 1.805 516 HG LEU 84 HG LEU 84 12.728 5.232 3.532 517 HD11 LEU 84 HD11 LEU 84 13.664 2.572 4.553 518 HD12 LEU 84 HD12 LEU 84 12.051 3.281 4.624 519 HD13 LEU 84 HD13 LEU 84 13.342 3.922 5.642 520 HD21 LEU 84 HD21 LEU 84 15.151 5.707 3.041 521 HD22 LEU 84 HD22 LEU 84 15.554 4.393 4.146 522 HD23 LEU 84 HD23 LEU 84 14.687 5.810 4.740 523 H CYS 85 H CYS 85 11.744 6.554 1.503 524 HA CYS 85 HA CYS 85 12.747 7.662 -0.916 525 HB2 CYS 85 HB1 CYS 85 10.777 8.481 0.505 526 HB3 CYS 85 HB2 CYS 85 11.990 9.239 1.540 527 H VAL 86 H VAL 86 14.870 7.784 -1.281 528 HA VAL 86 HA VAL 86 16.560 8.980 0.815 529 HB VAL 86 HB VAL 86 17.413 6.809 -1.105 530 HG11 VAL 86 HG11 VAL 86 18.863 8.623 0.696 531 HG12 VAL 86 HG12 VAL 86 19.320 6.922 0.815 532 HG13 VAL 86 HG13 VAL 86 19.419 7.756 -0.736 533 HG21 VAL 86 HG21 VAL 86 17.750 5.645 1.233 534 HG22 VAL 86 HG22 VAL 86 16.473 6.760 1.721 535 HG23 VAL 86 HG23 VAL 86 16.188 5.609 0.417 536 H ASN 87 H ASN 87 17.956 10.552 0.182 537 HA ASN 87 HA ASN 87 18.806 12.232 -1.096 538 HB2 ASN 87 HB1 ASN 87 18.845 9.999 -3.144 539 HB3 ASN 87 HB2 ASN 87 19.636 11.565 -3.368 540 HD21 ASN 87 HD21 ASN 87 21.348 9.717 -3.622 541 HD22 ASN 87 HD22 ASN 87 22.302 9.435 -2.209 542 H ASP 88 H ASP 88 15.964 12.055 -0.921 543 HA ASP 88 HA ASP 88 14.110 13.048 -1.785 544 HB2 ASP 88 HB1 ASP 88 15.929 14.266 -3.873 545 HB3 ASP 88 HB2 ASP 88 14.377 14.887 -3.296 546 HD2 ASP 88 HD ASP 88 17.605 15.878 -1.355 547 H VAL 89 H VAL 89 15.145 10.461 -2.820 548 HA VAL 89 HA VAL 89 13.365 10.291 -5.120 549 HB VAL 89 HB VAL 89 16.231 9.344 -5.259 550 HG11 VAL 89 HG11 VAL 89 15.684 8.642 -7.535 551 HG12 VAL 89 HG12 VAL 89 14.691 7.794 -6.348 552 HG13 VAL 89 HG13 VAL 89 14.006 9.123 -7.284 553 HG21 VAL 89 HG21 VAL 89 14.781 11.531 -6.746 554 HG22 VAL 89 HG22 VAL 89 16.087 11.735 -5.578 555 HG23 VAL 89 HG23 VAL 89 16.403 10.955 -7.129 556 H CYS 90 H CYS 90 12.360 8.338 -5.311 557 HA CYS 90 HA CYS 90 12.203 6.654 -3.091 558 HB2 CYS 90 HB1 CYS 90 10.784 6.976 -5.425 559 HB3 CYS 90 HB2 CYS 90 11.510 5.382 -5.647 560 H THR 91 H THR 91 13.901 5.555 -2.333 561 HA THR 91 HA THR 91 15.497 3.975 -4.241 562 HB THR 91 HB THR 91 16.351 5.010 -1.531 563 HG1 THR 91 HG1 THR 91 16.948 5.853 -4.184 564 HG21 THR 91 HG21 THR 91 17.637 3.114 -1.799 565 HG22 THR 91 HG22 THR 91 18.641 4.318 -2.607 566 HG23 THR 91 HG23 THR 91 17.631 3.229 -3.558 567 H THR 92 H THR 92 15.324 1.841 -4.100 568 HA THR 92 HA THR 92 13.603 0.488 -2.422 569 HB THR 92 HB THR 92 15.593 -1.387 -2.982 570 HG1 THR 92 HG1 THR 92 16.319 -0.896 -5.016 571 HG21 THR 92 HG21 THR 92 12.990 -0.571 -4.161 572 HG22 THR 92 HG22 THR 92 13.478 -2.110 -3.451 573 HG23 THR 92 HG23 THR 92 13.991 -1.691 -5.085 574 H MET 93 H MET 93 13.800 -0.672 -0.525 575 HA MET 93 HA MET 93 15.455 0.332 1.471 576 HB2 MET 93 HB1 MET 93 13.427 -1.665 1.232 577 HB3 MET 93 HB2 MET 93 14.779 -2.348 2.147 578 HG2 MET 93 HG1 MET 93 14.101 0.351 3.009 579 HG3 MET 93 HG2 MET 93 12.755 -0.781 3.154 580 HE1 MET 93 HE1 MET 93 16.857 -0.829 4.805 581 HE2 MET 93 HE2 MET 93 15.940 0.478 4.056 582 HE3 MET 93 HE3 MET 93 15.846 0.220 5.799 583 H GLU 94 H GLU 94 15.754 -2.745 -0.304 584 HA GLU 94 HA GLU 94 18.087 -3.663 0.890 585 HB2 GLU 94 HB1 GLU 94 16.821 -4.086 -1.795 586 HB3 GLU 94 HB2 GLU 94 18.433 -4.746 -1.477 587 HG2 GLU 94 HG1 GLU 94 17.366 -6.542 -0.706 588 HG3 GLU 94 HG2 GLU 94 17.048 -5.556 0.729 589 HE2 GLU 94 HE GLU 94 14.010 -6.747 -1.321 590 H ASP 95 H ASP 95 17.627 -1.233 -1.568 591 HA ASP 95 HA ASP 95 20.403 -1.104 -2.312 592 HB2 ASP 95 HB1 ASP 95 17.891 0.243 -3.090 593 HB3 ASP 95 HB2 ASP 95 19.346 1.245 -3.201 594 HD2 ASP 95 HD ASP 95 19.961 -1.966 -5.346 595 H ALA 96 H ALA 96 18.332 0.420 0.026 596 HA ALA 96 HA ALA 96 20.262 2.506 0.630 597 HB1 ALA 96 HB1 ALA 96 17.802 1.918 2.241 598 HB2 ALA 96 HB2 ALA 96 18.641 3.453 2.012 599 HB3 ALA 96 HB3 ALA 96 17.707 2.754 0.690 600 H THR 97 H THR 97 21.822 0.611 1.070 601 HA THR 97 HA THR 97 21.987 0.314 3.954 602 HB THR 97 HB THR 97 22.400 -2.207 2.404 603 HG1 THR 97 HG1 THR 97 20.342 -2.374 1.983 604 HG21 THR 97 HG21 THR 97 21.113 -2.630 4.865 605 HG22 THR 97 HG22 THR 97 22.313 -1.370 5.153 606 HG23 THR 97 HG23 THR 97 22.808 -2.920 4.476 607 H GLU 98 H GLU 98 23.480 -1.010 0.990 608 HA GLU 98 HA GLU 98 26.012 0.229 1.764 609 HB2 GLU 98 HB1 GLU 98 27.257 -1.855 1.323 610 HB3 GLU 98 HB2 GLU 98 26.155 -2.005 2.699 611 HG2 GLU 98 HG1 GLU 98 24.505 -2.942 0.880 612 HG3 GLU 98 HG2 GLU 98 26.012 -3.273 0.013 613 HE2 GLU 98 HE GLU 98 26.913 -5.334 2.930 614 H ASN 99 H ASN 99 27.535 0.411 0.024 615 HA ASN 99 HA ASN 99 26.239 0.303 -2.618 616 HB2 ASN 99 HB1 ASN 99 27.718 2.129 -3.293 617 HB3 ASN 99 HB2 ASN 99 26.789 2.577 -1.858 618 HD21 ASN 99 HD21 ASN 99 29.915 1.956 -3.145 619 HD22 ASN 99 HD22 ASN 99 30.821 2.399 -1.743 620 H LEU 100 H LEU 100 27.162 -0.828 -4.227 621 HA LEU 100 HA LEU 100 29.767 -2.089 -3.674 622 HB2 LEU 100 HB1 LEU 100 27.576 -3.108 -5.487 623 HB3 LEU 100 HB2 LEU 100 29.070 -3.948 -5.035 624 HG LEU 100 HG LEU 100 27.967 -3.572 -2.594 625 HD11 LEU 100 HD11 LEU 100 25.517 -4.493 -3.286 626 HD12 LEU 100 HD12 LEU 100 25.810 -3.321 -4.570 627 HD13 LEU 100 HD13 LEU 100 25.875 -2.814 -2.881 628 HD21 LEU 100 HD21 LEU 100 27.266 -5.911 -2.736 629 HD22 LEU 100 HD22 LEU 100 28.845 -5.664 -3.481 630 HD23 LEU 100 HD23 LEU 100 27.411 -5.850 -4.492 631 H TYR 101 H TYR 101 31.038 -2.649 -5.639 632 HA TYR 101 HA TYR 101 30.602 -1.516 -8.150 633 HB2 TYR 101 HB1 TYR 101 31.176 0.463 -6.294 634 HB3 TYR 101 HB2 TYR 101 32.734 0.160 -7.065 635 HD1 TYR 101 HD1 TYR 101 32.075 -0.422 -9.824 636 HD2 TYR 101 HD2 TYR 101 30.353 2.447 -7.196 637 HE1 TYR 101 HE1 TYR 101 31.419 0.948 -11.758 638 HE2 TYR 101 HE2 TYR 101 29.691 3.824 -9.123 639 HH TYR 101 HH TYR 101 29.419 3.813 -11.386 640 H PHE 102 H PHE 102 32.868 -2.523 -5.690 641 HA PHE 102 HA PHE 102 34.853 -3.640 -5.769 642 HB2 PHE 102 HB1 PHE 102 33.472 -4.728 -8.231 643 HB3 PHE 102 HB2 PHE 102 34.995 -5.374 -7.617 644 HD1 PHE 102 HD1 PHE 102 35.067 -6.290 -5.257 645 HD2 PHE 102 HD2 PHE 102 31.437 -5.446 -7.313 646 HE1 PHE 102 HE1 PHE 102 33.849 -7.756 -3.701 647 HE2 PHE 102 HE2 PHE 102 30.213 -6.911 -5.761 648 HZ PHE 102 HZ PHE 102 31.419 -8.067 -3.951 649 H GLN 103 H GLN 103 36.128 -1.763 -6.073 650 HA GLN 103 HA GLN 103 36.929 -1.131 -8.813 651 HB2 GLN 103 HB1 GLN 103 36.352 0.541 -6.816 652 HB3 GLN 103 HB2 GLN 103 38.077 0.317 -6.480 653 HG2 GLN 103 HG1 GLN 103 38.104 0.781 -9.169 654 HG3 GLN 103 HG2 GLN 103 36.756 1.792 -8.632 655 HE21 GLN 103 HE21 GLN 103 39.121 2.812 -9.700 656 HE22 GLN 103 HE22 GLN 103 39.941 3.708 -8.471 657 H SER 104 H SER 104 39.160 -1.007 -9.409 658 HA SER 104 HA SER 104 41.068 -2.385 -7.684 659 HB2 SER 104 HB1 SER 104 41.521 -3.451 -10.267 660 HB3 SER 104 HB2 SER 104 40.975 -4.314 -8.819 661 HG SER 104 HG SER 104 39.257 -4.640 -10.005 662 H LEU 105 H LEU 105 43.291 -2.426 -8.822 663 HA LEU 105 HA LEU 105 43.750 -0.299 -10.718 664 HB2 LEU 105 HB1 LEU 105 43.578 0.668 -8.306 665 HB3 LEU 105 HB2 LEU 105 45.187 -0.048 -8.107 666 HG LEU 105 HG LEU 105 44.673 1.808 -10.393 667 HD11 LEU 105 HD11 LEU 105 43.902 2.728 -8.070 668 HD12 LEU 105 HD12 LEU 105 44.881 3.723 -9.147 669 HD13 LEU 105 HD13 LEU 105 45.635 2.890 -7.789 670 HD21 LEU 105 HD21 LEU 105 46.845 1.476 -10.689 671 HD22 LEU 105 HD22 LEU 105 46.901 0.438 -9.263 672 HD23 LEU 105 HD23 LEU 105 47.162 2.176 -9.101 673 H GLU 106 H GLU 106 45.214 -1.086 -12.066 674 HA GLU 106 HA GLU 106 47.077 -3.134 -11.125 675 HB2 GLU 106 HB1 GLU 106 46.567 -2.214 -13.962 676 HB3 GLU 106 HB2 GLU 106 47.436 -3.668 -13.450 677 HG2 GLU 106 HG1 GLU 106 45.435 -4.680 -12.631 678 HG3 GLU 106 HG2 GLU 106 44.526 -3.182 -12.876 679 HE2 GLU 106 HE GLU 106 44.766 -5.667 -15.838 680 H HIS 107 H HIS 107 49.169 -2.935 -12.798 681 HA HIS 107 HA HIS 107 50.203 -0.253 -12.920 682 HB2 HIS 107 HB1 HIS 107 50.518 -1.524 -10.500 683 HB3 HIS 107 HB2 HIS 107 52.030 -1.909 -11.330 684 HD1 HIS 107 HD1 HIS 107 53.761 -0.333 -10.554 685 HD2 HIS 107 HD2 HIS 107 50.104 1.555 -11.124 686 HE1 HIS 107 HE1 HIS 107 54.180 2.101 -10.080 687 HE2 HIS 107 HE2 HIS 107 51.945 3.256 -10.429 688 H HIS 108 H HIS 108 51.714 -0.076 -14.476 689 HA HIS 108 HA HIS 108 52.380 -2.448 -15.988 690 HB2 HIS 108 HB1 HIS 108 52.362 0.445 -16.436 691 HB3 HIS 108 HB2 HIS 108 53.766 -0.357 -17.146 692 HD1 HIS 108 HD1 HIS 108 52.519 -2.964 -18.129 693 HD2 HIS 108 HD2 HIS 108 50.750 0.764 -18.615 694 HE1 HIS 108 HE1 HIS 108 50.952 -3.213 -20.081 695 HE2 HIS 108 HE2 HIS 108 49.871 -0.935 -20.379 696 H HIS 109 H HIS 109 53.779 -3.595 -14.640 697 HA HIS 109 HA HIS 109 56.507 -2.542 -14.590 698 HB2 HIS 109 HB1 HIS 109 54.899 -2.619 -12.299 699 HB3 HIS 109 HB2 HIS 109 55.955 -4.028 -12.161 700 HD1 HIS 109 HD1 HIS 109 56.132 -1.395 -10.381 701 HD2 HIS 109 HD2 HIS 109 58.587 -2.377 -13.585 702 HE1 HIS 109 HE1 HIS 109 58.263 -0.109 -10.014 703 HE2 HIS 109 HE2 HIS 109 59.764 -0.708 -11.972 704 H HIS 110 H HIS 110 57.702 -3.971 -15.646 705 HA HIS 110 HA HIS 110 57.394 -6.815 -15.040 706 HB2 HIS 110 HB1 HIS 110 57.532 -7.408 -17.437 707 HB3 HIS 110 HB2 HIS 110 56.063 -6.507 -17.048 708 HD1 HIS 110 HD1 HIS 110 59.549 -5.632 -18.319 709 HD2 HIS 110 HD2 HIS 110 55.573 -4.535 -18.818 710 HE1 HIS 110 HE1 HIS 110 59.559 -3.865 -20.110 711 HE2 HIS 110 HE2 HIS 110 57.129 -3.194 -20.415 712 H HIS 111 H HIS 111 59.238 -8.102 -16.003 713 HA HIS 111 HA HIS 111 61.679 -6.534 -16.365 714 HB2 HIS 111 HB1 HIS 111 61.038 -7.658 -13.907 715 HB3 HIS 111 HB2 HIS 111 62.137 -8.835 -14.632 716 HD1 HIS 111 HD1 HIS 111 62.283 -5.033 -14.727 717 HD2 HIS 111 HD2 HIS 111 64.551 -8.303 -13.534 718 HE1 HIS 111 HE1 HIS 111 64.479 -4.082 -13.956 719 HE2 HIS 111 HE2 HIS 111 65.867 -6.080 -13.227 720 H HIS 112 H HIS 112 63.136 -7.449 -17.728 721 HA HIS 112 HA HIS 112 62.463 -10.118 -18.782 722 HB2 HIS 112 HB1 HIS 112 62.998 -7.570 -20.102 723 HB3 HIS 112 HB2 HIS 112 64.018 -8.875 -20.716 724 HD1 HIS 112 HD1 HIS 112 62.681 -11.063 -21.580 725 HD2 HIS 112 HD2 HIS 112 60.456 -7.586 -21.117 726 HE1 HIS 112 HE1 HIS 112 60.571 -11.435 -22.895 727 HE2 HIS 112 HE2 HIS 112 59.209 -9.310 -22.613 Start of MODEL 68 1 H1 MET 18 H MET 18 -64.029 -25.005 -6.387 2 HA MET 18 HA MET 18 -63.461 -27.417 -5.905 3 HB2 MET 18 HB1 MET 18 -64.935 -27.564 -8.520 4 HB3 MET 18 HB2 MET 18 -63.718 -28.782 -8.110 5 HG2 MET 18 HG1 MET 18 -65.043 -29.811 -6.625 6 HG3 MET 18 HG2 MET 18 -65.651 -28.284 -5.979 7 HE1 MET 18 HE1 MET 18 -68.738 -27.452 -7.948 8 HE2 MET 18 HE2 MET 18 -68.268 -27.729 -6.271 9 HE3 MET 18 HE3 MET 18 -67.246 -26.749 -7.322 10 H LEU 19 H LEU 19 -63.215 -25.467 -8.844 11 HA LEU 19 HA LEU 19 -60.529 -26.364 -9.397 12 HB2 LEU 19 HB1 LEU 19 -62.598 -25.040 -10.814 13 HB3 LEU 19 HB2 LEU 19 -61.191 -23.963 -10.795 14 HG LEU 19 HG LEU 19 -61.130 -25.259 -12.803 15 HD11 LEU 19 HD11 LEU 19 -58.948 -26.066 -12.698 16 HD12 LEU 19 HD12 LEU 19 -59.123 -26.599 -11.026 17 HD13 LEU 19 HD13 LEU 19 -59.017 -24.878 -11.397 18 HD21 LEU 19 HD21 LEU 19 -62.347 -27.235 -11.299 19 HD22 LEU 19 HD22 LEU 19 -60.746 -27.891 -11.642 20 HD23 LEU 19 HD23 LEU 19 -61.794 -27.380 -12.968 21 H VAL 20 H VAL 20 -58.662 -25.392 -8.853 22 HA VAL 20 HA VAL 20 -58.758 -23.237 -6.928 23 HB VAL 20 HB VAL 20 -56.360 -24.663 -8.089 24 HG11 VAL 20 HG11 VAL 20 -56.689 -22.717 -5.824 25 HG12 VAL 20 HG12 VAL 20 -55.309 -23.813 -5.930 26 HG13 VAL 20 HG13 VAL 20 -55.594 -22.625 -7.203 27 HG21 VAL 20 HG21 VAL 20 -56.378 -26.060 -6.162 28 HG22 VAL 20 HG22 VAL 20 -57.674 -25.124 -5.417 29 HG23 VAL 20 HG23 VAL 20 -58.003 -26.104 -6.846 30 H LEU 21 H LEU 21 -58.049 -21.170 -7.199 31 HA LEU 21 HA LEU 21 -57.977 -20.141 -9.866 32 HB2 LEU 21 HB1 LEU 21 -57.661 -17.960 -8.803 33 HB3 LEU 21 HB2 LEU 21 -58.998 -18.869 -8.079 34 HG LEU 21 HG LEU 21 -56.571 -19.347 -6.610 35 HD11 LEU 21 HD11 LEU 21 -57.401 -16.458 -6.820 36 HD12 LEU 21 HD12 LEU 21 -55.928 -17.140 -7.507 37 HD13 LEU 21 HD13 LEU 21 -56.163 -17.129 -5.759 38 HD21 LEU 21 HD21 LEU 21 -57.939 -18.687 -4.748 39 HD22 LEU 21 HD22 LEU 21 -58.909 -19.673 -5.842 40 HD23 LEU 21 HD23 LEU 21 -59.109 -17.920 -5.823 41 H ASP 22 H ASP 22 -56.276 -19.436 -11.057 42 HA ASP 22 HA ASP 22 -53.593 -19.871 -9.918 43 HB2 ASP 22 HB1 ASP 22 -54.484 -21.355 -11.873 44 HB3 ASP 22 HB2 ASP 22 -54.145 -19.930 -12.867 45 HD2 ASP 22 HD ASP 22 -50.675 -20.268 -12.318 46 H PHE 23 H PHE 23 -53.187 -17.804 -9.216 47 HA PHE 23 HA PHE 23 -53.158 -15.711 -11.290 48 HB2 PHE 23 HB1 PHE 23 -54.645 -15.537 -9.112 49 HB3 PHE 23 HB2 PHE 23 -53.120 -15.037 -8.376 50 HD1 PHE 23 HD1 PHE 23 -55.788 -14.093 -10.651 51 HD2 PHE 23 HD2 PHE 23 -51.988 -12.986 -9.086 52 HE1 PHE 23 HE1 PHE 23 -56.115 -11.801 -11.485 53 HE2 PHE 23 HE2 PHE 23 -52.310 -10.692 -9.915 54 HZ PHE 23 HZ PHE 23 -54.376 -10.097 -11.115 55 H ASN 24 H ASN 24 -51.361 -17.392 -8.840 56 HA ASN 24 HA ASN 24 -49.154 -17.434 -8.293 57 HB2 ASN 24 HB1 ASN 24 -48.555 -15.919 -10.828 58 HB3 ASN 24 HB2 ASN 24 -47.583 -17.157 -10.022 59 HD21 ASN 24 HD21 ASN 24 -48.140 -19.333 -10.235 60 HD22 ASN 24 HD22 ASN 24 -49.175 -19.886 -11.502 61 H ASN 25 H ASN 25 -47.078 -15.838 -8.327 62 HA ASN 25 HA ASN 25 -48.032 -13.186 -7.478 63 HB2 ASN 25 HB1 ASN 25 -46.576 -15.223 -5.950 64 HB3 ASN 25 HB2 ASN 25 -45.805 -13.634 -5.914 65 HD21 ASN 25 HD21 ASN 25 -46.427 -12.358 -4.341 66 HD22 ASN 25 HD22 ASN 25 -47.959 -12.390 -3.543 67 H ILE 26 H ILE 26 -46.906 -11.485 -8.227 68 HA ILE 26 HA ILE 26 -44.264 -11.961 -9.419 69 HB ILE 26 HB ILE 26 -46.434 -10.321 -10.729 70 HG12 ILE 26 HG11 ILE 26 -46.883 -12.737 -10.853 71 HG13 ILE 26 HG12 ILE 26 -46.484 -12.062 -12.442 72 HG21 ILE 26 HG21 ILE 26 -44.507 -9.302 -11.433 73 HG22 ILE 26 HG22 ILE 26 -43.548 -10.774 -11.297 74 HG23 ILE 26 HG23 ILE 26 -44.659 -10.568 -12.651 75 HD11 ILE 26 HD11 ILE 26 -45.266 -14.235 -11.105 76 HD12 ILE 26 HD12 ILE 26 -44.887 -13.561 -12.691 77 HD13 ILE 26 HD13 ILE 26 -44.072 -12.947 -11.253 78 H ARG 27 H ARG 27 -43.105 -10.884 -7.894 79 HA ARG 27 HA ARG 27 -43.900 -8.139 -7.224 80 HB2 ARG 27 HB1 ARG 27 -43.503 -9.636 -5.331 81 HB3 ARG 27 HB2 ARG 27 -41.865 -9.957 -5.923 82 HG2 ARG 27 HG1 ARG 27 -41.421 -7.474 -5.691 83 HG3 ARG 27 HG2 ARG 27 -42.953 -7.392 -4.805 84 HD2 ARG 27 HD1 ARG 27 -42.036 -9.217 -3.293 85 HD3 ARG 27 HD2 ARG 27 -40.473 -8.927 -4.070 86 HE ARG 27 HE ARG 27 -40.257 -7.014 -2.836 87 HH11 ARG 27 HH11 ARG 27 -43.591 -8.015 -2.797 88 HH12 ARG 27 HH12 ARG 27 -44.068 -6.830 -1.626 89 HH21 ARG 27 HH21 ARG 27 -40.873 -5.449 -1.295 90 HH22 ARG 27 HH22 ARG 27 -42.521 -5.371 -0.773 91 H SER 28 H SER 28 -42.744 -6.417 -7.863 92 HA SER 28 HA SER 28 -40.440 -6.909 -9.595 93 HB2 SER 28 HB1 SER 28 -41.672 -5.450 -10.821 94 HB3 SER 28 HB2 SER 28 -42.512 -4.817 -9.395 95 HG SER 28 HG SER 28 -41.174 -3.210 -9.394 96 H SER 29 H SER 29 -41.317 -5.428 -6.568 97 HA SER 29 HA SER 29 -40.039 -4.694 -4.826 98 HB2 SER 29 HB1 SER 29 -37.531 -5.320 -6.378 99 HB3 SER 29 HB2 SER 29 -37.797 -5.367 -4.626 100 HG SER 29 HG SER 29 -38.592 -7.320 -4.782 101 H ALA 30 H ALA 30 -37.969 -3.950 -7.630 102 HA ALA 30 HA ALA 30 -37.078 -1.990 -8.375 103 HB1 ALA 30 HB1 ALA 30 -39.002 -1.244 -9.300 104 HB2 ALA 30 HB2 ALA 30 -39.915 -1.403 -7.799 105 HB3 ALA 30 HB3 ALA 30 -38.856 -0.013 -8.045 106 H ASP 31 H ASP 31 -35.426 -1.861 -6.816 107 HA ASP 31 HA ASP 31 -35.510 0.504 -5.212 108 HB2 ASP 31 HB1 ASP 31 -34.834 -0.827 -3.091 109 HB3 ASP 31 HB2 ASP 31 -36.546 -0.716 -3.515 110 HD2 ASP 31 HD ASP 31 -36.702 -4.125 -3.403 111 H LEU 32 H LEU 32 -33.421 0.934 -4.153 112 HA LEU 32 HA LEU 32 -31.162 1.166 -4.285 113 HB2 LEU 32 HB1 LEU 32 -31.156 -1.796 -4.879 114 HB3 LEU 32 HB2 LEU 32 -29.845 -0.829 -4.179 115 HG LEU 32 HG LEU 32 -32.452 -1.568 -2.856 116 HD11 LEU 32 HD11 LEU 32 -30.511 -2.440 -1.224 117 HD12 LEU 32 HD12 LEU 32 -29.693 -2.608 -2.777 118 HD13 LEU 32 HD13 LEU 32 -31.228 -3.429 -2.496 119 HD21 LEU 32 HD21 LEU 32 -30.487 0.537 -2.274 120 HD22 LEU 32 HD22 LEU 32 -30.904 -0.494 -0.905 121 HD23 LEU 32 HD23 LEU 32 -32.170 0.379 -1.769 122 H HIS 33 H HIS 33 -32.477 1.831 -6.612 123 HA HIS 33 HA HIS 33 -30.778 0.744 -8.752 124 HB2 HIS 33 HB1 HIS 33 -33.129 0.508 -9.230 125 HB3 HIS 33 HB2 HIS 33 -33.419 2.212 -8.866 126 HD1 HIS 33 HD1 HIS 33 -34.072 3.210 -11.043 127 HD2 HIS 33 HD2 HIS 33 -30.720 0.778 -11.384 128 HE1 HIS 33 HE1 HIS 33 -33.280 3.485 -13.414 129 HE2 HIS 33 HE2 HIS 33 -31.232 1.999 -13.623 130 H GLY 34 H GLY 34 -28.937 1.948 -8.642 131 HA2 GLY 34 HA2 GLY 34 -28.338 4.118 -9.924 132 HA3 GLY 34 HA3 GLY 34 -29.204 4.876 -8.596 133 HA1 GLY 34 HA1 GLY 34 -28.043 3.375 -9.554 134 H ALA 35 H ALA 35 -26.588 5.538 -9.122 135 HA ALA 35 HA ALA 35 -25.265 4.506 -6.714 136 HB1 ALA 35 HB1 ALA 35 -23.781 4.944 -9.296 137 HB2 ALA 35 HB2 ALA 35 -23.174 4.222 -7.806 138 HB3 ALA 35 HB3 ALA 35 -24.379 3.370 -8.772 139 H ARG 36 H ARG 36 -23.180 5.912 -6.337 140 HA ARG 36 HA ARG 36 -23.941 8.730 -6.748 141 HB2 ARG 36 HB1 ARG 36 -22.787 7.320 -4.352 142 HB3 ARG 36 HB2 ARG 36 -22.591 9.066 -4.567 143 HG2 ARG 36 HG1 ARG 36 -24.500 9.184 -3.391 144 HG3 ARG 36 HG2 ARG 36 -25.250 8.829 -4.957 145 HD2 ARG 36 HD1 ARG 36 -24.680 6.315 -4.094 146 HD3 ARG 36 HD2 ARG 36 -24.983 7.142 -2.560 147 HE ARG 36 HE ARG 36 -27.080 7.882 -4.133 148 HH11 ARG 36 HH11 ARG 36 -25.710 4.835 -3.154 149 HH12 ARG 36 HH12 ARG 36 -27.220 3.987 -3.216 150 HH21 ARG 36 HH21 ARG 36 -29.074 6.778 -4.218 151 HH22 ARG 36 HH22 ARG 36 -29.133 5.093 -3.822 152 H LYS 37 H LYS 37 -22.482 10.030 -7.670 153 HA LYS 37 HA LYS 37 -19.814 8.927 -8.209 154 HB2 LYS 37 HB1 LYS 37 -21.468 9.727 -10.058 155 HB3 LYS 37 HB2 LYS 37 -20.943 11.348 -9.575 156 HG2 LYS 37 HG1 LYS 37 -18.717 10.955 -10.225 157 HG3 LYS 37 HG2 LYS 37 -18.985 9.206 -10.336 158 HD2 LYS 37 HD1 LYS 37 -20.852 10.532 -12.055 159 HD3 LYS 37 HD2 LYS 37 -19.221 11.144 -12.383 160 HE2 LYS 37 HE1 LYS 37 -19.536 8.200 -12.073 161 HE3 LYS 37 HE2 LYS 37 -20.188 8.946 -13.540 162 HZ1 LYS 37 HZ1 LYS 37 -17.883 10.058 -13.668 163 HZ2 LYS 37 HZ2 LYS 37 -18.035 8.440 -14.136 164 HZ3 LYS 37 HZ3 LYS 37 -17.393 8.825 -12.618 165 H GLY 38 H GLY 38 -18.811 9.486 -6.262 166 HA2 GLY 38 HA2 GLY 38 -18.666 12.364 -5.654 167 HA3 GLY 38 HA3 GLY 38 -18.295 11.069 -4.526 168 HA1 GLY 38 HA1 GLY 38 -18.364 12.038 -6.418 169 H SER 39 H SER 39 -16.217 10.723 -4.148 170 HA SER 39 HA SER 39 -14.274 11.481 -6.232 171 HB2 SER 39 HB1 SER 39 -12.726 12.198 -4.494 172 HB3 SER 39 HB2 SER 39 -14.265 13.057 -4.309 173 HG SER 39 HG SER 39 -13.201 12.015 -2.371 174 H GLN 40 H GLN 40 -12.330 10.250 -6.321 175 HA GLN 40 HA GLN 40 -12.676 7.491 -6.107 176 HB2 GLN 40 HB1 GLN 40 -10.694 9.269 -7.073 177 HB3 GLN 40 HB2 GLN 40 -9.884 8.137 -5.979 178 HG2 GLN 40 HG1 GLN 40 -11.331 6.376 -7.364 179 HG3 GLN 40 HG2 GLN 40 -11.189 7.646 -8.585 180 HE21 GLN 40 HE21 GLN 40 -8.999 8.419 -9.066 181 HE22 GLN 40 HE22 GLN 40 -7.695 7.287 -9.012 182 H CYS 41 H CYS 41 -10.332 9.409 -4.220 183 HA CYS 41 HA CYS 41 -10.970 7.762 -1.875 184 HB2 CYS 41 HB1 CYS 41 -8.546 7.648 -1.325 185 HB3 CYS 41 HB2 CYS 41 -8.973 6.766 -2.791 186 H LEU 42 H LEU 42 -10.844 8.797 0.085 187 HA LEU 42 HA LEU 42 -10.602 11.709 -0.054 188 HB2 LEU 42 HB1 LEU 42 -12.196 9.821 1.471 189 HB3 LEU 42 HB2 LEU 42 -11.400 11.013 2.516 190 HG LEU 42 HG LEU 42 -12.452 12.620 0.587 191 HD11 LEU 42 HD11 LEU 42 -13.710 10.152 0.184 192 HD12 LEU 42 HD12 LEU 42 -14.171 11.718 -0.483 193 HD13 LEU 42 HD13 LEU 42 -14.884 11.160 1.031 194 HD21 LEU 42 HD21 LEU 42 -12.698 13.213 2.826 195 HD22 LEU 42 HD22 LEU 42 -13.485 11.690 3.245 196 HD23 LEU 42 HD23 LEU 42 -14.352 12.902 2.299 197 H SER 43 H SER 43 -9.141 8.901 1.415 198 HA SER 43 HA SER 43 -6.860 10.494 2.215 199 HB2 SER 43 HB1 SER 43 -8.439 10.574 4.170 200 HB3 SER 43 HB2 SER 43 -8.286 8.811 4.287 201 HG SER 43 HG SER 43 -6.371 10.799 4.800 202 H ASP 44 H ASP 44 -5.199 8.945 3.337 203 HA ASP 44 HA ASP 44 -4.480 6.989 1.480 204 HB2 ASP 44 HB1 ASP 44 -2.655 6.503 2.865 205 HB3 ASP 44 HB2 ASP 44 -3.033 8.187 3.248 206 HD2 ASP 44 HD ASP 44 -3.724 5.444 6.027 207 H THR 45 H THR 45 -6.508 6.817 4.293 208 HA THR 45 HA THR 45 -6.442 4.001 4.646 209 HB THR 45 HB THR 45 -8.659 4.403 5.857 210 HG1 THR 45 HG1 THR 45 -9.423 6.406 5.939 211 HG21 THR 45 HG21 THR 45 -7.527 4.935 7.769 212 HG22 THR 45 HG22 THR 45 -6.622 6.240 7.001 213 HG23 THR 45 HG23 THR 45 -6.152 4.561 6.731 214 H ASP 46 H ASP 46 -8.175 6.114 2.510 215 HA ASP 46 HA ASP 46 -10.257 4.283 1.828 216 HB2 ASP 46 HB1 ASP 46 -9.446 6.971 1.097 217 HB3 ASP 46 HB2 ASP 46 -9.915 6.036 -0.331 218 HD2 ASP 46 HD ASP 46 -13.172 5.566 1.174 219 H CYS 47 H CYS 47 -6.998 4.815 0.745 220 HA CYS 47 HA CYS 47 -7.385 2.829 -1.395 221 HB2 CYS 47 HB1 CYS 47 -5.601 5.211 -1.120 222 HB3 CYS 47 HB2 CYS 47 -5.012 3.833 -2.051 223 H ASN 48 H ASN 48 -7.134 0.993 -0.120 224 HA ASN 48 HA ASN 48 -4.593 0.686 1.309 225 HB2 ASN 48 HB1 ASN 48 -7.238 -0.746 1.420 226 HB3 ASN 48 HB2 ASN 48 -5.775 -1.516 2.050 227 HD21 ASN 48 HD21 ASN 48 -8.059 -0.800 3.565 228 HD22 ASN 48 HD22 ASN 48 -7.565 0.375 4.733 229 H THR 49 H THR 49 -4.962 0.590 -1.656 230 HA THR 49 HA THR 49 -4.311 -2.197 -2.249 231 HB THR 49 HB THR 49 -4.356 -0.119 -4.386 232 HG1 THR 49 HG1 THR 49 -6.477 0.182 -4.258 233 HG21 THR 49 HG21 THR 49 -5.503 -1.988 -5.593 234 HG22 THR 49 HG22 THR 49 -5.278 -2.984 -4.155 235 HG23 THR 49 HG23 THR 49 -3.876 -2.377 -5.037 236 H ARG 50 H ARG 50 -2.425 -0.665 -0.742 237 HA ARG 50 HA ARG 50 -0.184 -0.294 -0.637 238 HB2 ARG 50 HB1 ARG 50 -0.014 -1.637 -3.341 239 HB3 ARG 50 HB2 ARG 50 1.262 -1.498 -2.122 240 HG2 ARG 50 HG1 ARG 50 0.091 -2.992 -0.634 241 HG3 ARG 50 HG2 ARG 50 -1.285 -3.058 -1.747 242 HD2 ARG 50 HD1 ARG 50 -0.148 -5.023 -2.245 243 HD3 ARG 50 HD2 ARG 50 0.444 -3.898 -3.475 244 HE ARG 50 HE ARG 50 2.532 -4.129 -2.598 245 HH11 ARG 50 HH11 ARG 50 0.207 -5.020 -0.165 246 HH12 ARG 50 HH12 ARG 50 1.405 -5.527 0.981 247 HH21 ARG 50 HH21 ARG 50 4.118 -4.793 -1.099 248 HH22 ARG 50 HH22 ARG 50 3.629 -5.397 0.448 249 H LYS 51 H LYS 51 -1.816 1.753 -1.664 250 HA LYS 51 HA LYS 51 0.177 3.239 -3.181 251 HB2 LYS 51 HB1 LYS 51 -2.701 2.962 -4.084 252 HB3 LYS 51 HB2 LYS 51 -1.507 4.064 -4.790 253 HG2 LYS 51 HG1 LYS 51 -0.177 2.232 -5.586 254 HG3 LYS 51 HG2 LYS 51 -1.212 1.068 -4.735 255 HD2 LYS 51 HD1 LYS 51 -3.138 2.000 -6.145 256 HD3 LYS 51 HD2 LYS 51 -1.875 2.751 -7.137 257 HE2 LYS 51 HE1 LYS 51 -1.811 0.831 -8.285 258 HE3 LYS 51 HE2 LYS 51 -0.999 0.150 -6.866 259 HZ1 LYS 51 HZ1 LYS 51 -3.892 0.218 -6.713 260 HZ2 LYS 51 HZ2 LYS 51 -2.812 -1.008 -6.276 261 HZ3 LYS 51 HZ3 LYS 51 -3.263 -0.817 -7.896 262 H PHE 52 H PHE 52 -0.200 5.556 -3.160 263 HA PHE 52 HA PHE 52 -1.585 6.368 -0.713 264 HB2 PHE 52 HB1 PHE 52 -0.291 8.482 -0.956 265 HB3 PHE 52 HB2 PHE 52 0.728 7.048 -0.822 266 HD1 PHE 52 HD1 PHE 52 2.352 6.581 -2.415 267 HD2 PHE 52 HD2 PHE 52 -0.733 9.368 -3.325 268 HE1 PHE 52 HE1 PHE 52 3.512 7.178 -4.501 269 HE2 PHE 52 HE2 PHE 52 0.423 9.969 -5.413 270 HZ PHE 52 HZ PHE 52 2.548 8.873 -6.003 271 H CYS 53 H CYS 53 -3.016 8.131 -0.664 272 HA CYS 53 HA CYS 53 -4.531 8.460 -3.121 273 HB2 CYS 53 HB1 CYS 53 -5.711 7.991 -1.015 274 HB3 CYS 53 HB2 CYS 53 -5.070 9.482 -0.324 275 H LEU 54 H LEU 54 -3.381 9.819 -4.438 276 HA LEU 54 HA LEU 54 -2.126 12.206 -3.545 277 HB2 LEU 54 HB1 LEU 54 -1.850 10.733 -5.739 278 HB3 LEU 54 HB2 LEU 54 -3.009 11.915 -6.369 279 HG LEU 54 HG LEU 54 -0.716 12.528 -6.927 280 HD11 LEU 54 HD11 LEU 54 -1.991 14.359 -4.901 281 HD12 LEU 54 HD12 LEU 54 -2.342 14.303 -6.627 282 HD13 LEU 54 HD13 LEU 54 -0.753 14.823 -6.068 283 HD21 LEU 54 HD21 LEU 54 0.979 12.388 -5.496 284 HD22 LEU 54 HD22 LEU 54 -0.132 11.615 -4.365 285 HD23 LEU 54 HD23 LEU 54 0.130 13.358 -4.293 286 H GLN 55 H GLN 55 -3.210 13.883 -2.754 287 HA GLN 55 HA GLN 55 -5.743 14.651 -4.050 288 HB2 GLN 55 HB1 GLN 55 -6.249 15.797 -1.849 289 HB3 GLN 55 HB2 GLN 55 -6.248 14.027 -1.820 290 HG2 GLN 55 HG1 GLN 55 -4.639 13.950 -0.293 291 HG3 GLN 55 HG2 GLN 55 -3.634 15.086 -1.203 292 HE21 GLN 55 HE21 GLN 55 -6.660 15.165 0.656 293 HE22 GLN 55 HE22 GLN 55 -6.275 16.598 1.542 294 HA PRO 56 HA PRO 56 -2.848 18.060 -5.041 295 HB2 PRO 56 HB1 PRO 56 -4.049 18.671 -7.425 296 HB3 PRO 56 HB2 PRO 56 -2.849 17.392 -7.239 297 HG2 PRO 56 HG1 PRO 56 -5.842 17.201 -7.275 298 HG3 PRO 56 HG2 PRO 56 -4.624 16.177 -8.122 299 HD2 PRO 56 HD1 PRO 56 -5.873 15.387 -5.844 300 HD3 PRO 56 HD2 PRO 56 -4.200 14.939 -6.224 301 H ARG 57 H ARG 57 -3.154 20.277 -4.926 302 HA ARG 57 HA ARG 57 -5.664 21.122 -3.765 303 HB2 ARG 57 HB1 ARG 57 -3.274 21.817 -3.047 304 HB3 ARG 57 HB2 ARG 57 -3.365 22.947 -4.407 305 HG2 ARG 57 HG1 ARG 57 -5.755 23.156 -2.835 306 HG3 ARG 57 HG2 ARG 57 -4.328 23.313 -1.798 307 HD2 ARG 57 HD1 ARG 57 -3.650 25.261 -2.764 308 HD3 ARG 57 HD2 ARG 57 -4.266 24.794 -4.356 309 HE ARG 57 HE ARG 57 -6.412 25.253 -2.568 310 HH11 ARG 57 HH11 ARG 57 -3.987 26.918 -4.429 311 HH12 ARG 57 HH12 ARG 57 -4.923 28.367 -4.597 312 HH21 ARG 57 HH21 ARG 57 -7.655 27.154 -2.782 313 HH22 ARG 57 HH22 ARG 57 -7.009 28.500 -3.659 314 H ASP 58 H ASP 58 -4.036 21.337 -6.818 315 HA ASP 58 HA ASP 58 -5.816 23.421 -7.800 316 HB2 ASP 58 HB1 ASP 58 -3.213 22.802 -8.379 317 HB3 ASP 58 HB2 ASP 58 -4.068 22.053 -9.733 318 HD2 ASP 58 HD ASP 58 -4.616 25.083 -11.217 319 H GLU 59 H GLU 59 -5.526 19.987 -7.808 320 HA GLU 59 HA GLU 59 -7.793 19.817 -9.682 321 HB2 GLU 59 HB1 GLU 59 -5.218 18.562 -9.820 322 HB3 GLU 59 HB2 GLU 59 -6.461 17.319 -9.607 323 HG2 GLU 59 HG1 GLU 59 -6.778 19.462 -11.680 324 HG3 GLU 59 HG2 GLU 59 -5.795 18.025 -11.992 325 HE2 GLU 59 HE GLU 59 -9.572 17.680 -12.518 326 H LYS 60 H LYS 60 -8.719 17.391 -9.403 327 HA LYS 60 HA LYS 60 -9.715 17.343 -6.683 328 HB2 LYS 60 HB1 LYS 60 -10.555 16.301 -9.296 329 HB3 LYS 60 HB2 LYS 60 -10.853 15.187 -7.951 330 HG2 LYS 60 HG1 LYS 60 -11.755 17.567 -6.934 331 HG3 LYS 60 HG2 LYS 60 -12.191 17.683 -8.648 332 HD2 LYS 60 HD1 LYS 60 -12.812 15.240 -6.989 333 HD3 LYS 60 HD2 LYS 60 -13.911 16.625 -7.098 334 HE2 LYS 60 HE1 LYS 60 -13.497 16.262 -9.712 335 HE3 LYS 60 HE2 LYS 60 -13.182 14.612 -9.155 336 HZ1 LYS 60 HZ1 LYS 60 -15.429 14.569 -9.543 337 HZ2 LYS 60 HZ2 LYS 60 -15.678 16.159 -9.024 338 HZ3 LYS 60 HZ3 LYS 60 -15.402 14.934 -7.890 339 HA PRO 61 HA PRO 61 -7.329 14.013 -5.111 340 HB2 PRO 61 HB1 PRO 61 -9.168 12.597 -3.659 341 HB3 PRO 61 HB2 PRO 61 -8.551 14.174 -3.172 342 HG2 PRO 61 HG1 PRO 61 -11.092 13.489 -4.609 343 HG3 PRO 61 HG2 PRO 61 -10.832 14.617 -3.226 344 HD2 PRO 61 HD1 PRO 61 -11.116 15.477 -5.784 345 HD3 PRO 61 HD2 PRO 61 -10.071 16.294 -4.611 346 H PHE 62 H PHE 62 -6.686 11.946 -5.575 347 HA PHE 62 HA PHE 62 -8.432 9.986 -6.699 348 HB2 PHE 62 HB1 PHE 62 -7.572 9.852 -8.915 349 HB3 PHE 62 HB2 PHE 62 -8.006 11.539 -8.643 350 HD1 PHE 62 HD1 PHE 62 -5.536 9.447 -9.912 351 HD2 PHE 62 HD2 PHE 62 -6.028 13.022 -7.654 352 HE1 PHE 62 HE1 PHE 62 -3.264 10.153 -10.539 353 HE2 PHE 62 HE2 PHE 62 -3.758 13.733 -8.279 354 HZ PHE 62 HZ PHE 62 -2.372 12.299 -9.724 355 H CYS 63 H CYS 63 -7.351 7.951 -7.109 356 HA CYS 63 HA CYS 63 -5.116 7.571 -5.309 357 HB2 CYS 63 HB1 CYS 63 -7.270 6.054 -5.795 358 HB3 CYS 63 HB2 CYS 63 -6.161 5.326 -6.959 359 H ALA 64 H ALA 64 -3.047 7.285 -5.864 360 HA ALA 64 HA ALA 64 -2.409 6.777 -8.692 361 HB1 ALA 64 HB1 ALA 64 -1.675 8.889 -8.794 362 HB2 ALA 64 HB2 ALA 64 -1.658 9.068 -7.040 363 HB3 ALA 64 HB3 ALA 64 -0.299 8.300 -7.861 364 H THR 65 H THR 65 -0.681 5.447 -9.089 365 HA THR 65 HA THR 65 -0.015 3.478 -7.274 366 HB THR 65 HB THR 65 2.088 3.183 -8.766 367 HG1 THR 65 HG1 THR 65 2.340 4.593 -10.330 368 HG21 THR 65 HG21 THR 65 -0.737 3.024 -9.810 369 HG22 THR 65 HG22 THR 65 0.205 1.746 -9.044 370 HG23 THR 65 HG23 THR 65 0.650 2.328 -10.648 371 H CYS 66 H CYS 66 2.156 2.970 -6.375 372 HA CYS 66 HA CYS 66 3.024 5.068 -4.669 373 HB2 CYS 66 HB1 CYS 66 4.735 3.446 -3.908 374 HB3 CYS 66 HB2 CYS 66 3.104 2.773 -3.903 375 H ARG 67 H ARG 67 5.097 6.041 -4.544 376 HA ARG 67 HA ARG 67 6.100 6.993 -6.984 377 HB2 ARG 67 HB1 ARG 67 7.282 7.000 -4.202 378 HB3 ARG 67 HB2 ARG 67 8.012 7.847 -5.574 379 HG2 ARG 67 HG1 ARG 67 5.193 8.357 -4.635 380 HG3 ARG 67 HG2 ARG 67 6.601 9.260 -4.052 381 HD2 ARG 67 HD1 ARG 67 7.021 10.221 -6.146 382 HD3 ARG 67 HD2 ARG 67 6.050 9.004 -6.987 383 HE ARG 67 HE ARG 67 4.272 10.310 -5.369 384 HH11 ARG 67 HH11 ARG 67 6.511 11.251 -7.862 385 HH12 ARG 67 HH12 ARG 67 5.565 12.605 -8.384 386 HH21 ARG 67 HH21 ARG 67 3.015 12.089 -6.046 387 HH22 ARG 67 HH22 ARG 67 3.576 13.081 -7.350 388 H GLY 68 H GLY 68 7.306 5.994 -8.448 389 HA2 GLY 68 HA2 GLY 68 8.457 3.456 -8.077 390 HA3 GLY 68 HA3 GLY 68 8.789 4.539 -9.420 391 HA1 GLY 68 HA1 GLY 68 8.577 3.984 -7.379 392 H LEU 69 H LEU 69 10.906 3.251 -8.927 393 HA LEU 69 HA LEU 69 12.503 4.035 -6.733 394 HB2 LEU 69 HB1 LEU 69 12.906 2.610 -9.298 395 HB3 LEU 69 HB2 LEU 69 14.343 3.354 -8.574 396 HG LEU 69 HG LEU 69 12.563 1.312 -7.243 397 HD11 LEU 69 HD11 LEU 69 14.006 -0.313 -7.865 398 HD12 LEU 69 HD12 LEU 69 15.401 0.767 -7.860 399 HD13 LEU 69 HD13 LEU 69 14.280 0.779 -9.222 400 HD21 LEU 69 HD21 LEU 69 15.068 2.715 -6.336 401 HD22 LEU 69 HD22 LEU 69 14.439 1.253 -5.580 402 HD23 LEU 69 HD23 LEU 69 13.480 2.733 -5.569 403 H ARG 70 H ARG 70 11.996 5.387 -9.927 404 HA ARG 70 HA ARG 70 14.102 7.362 -9.536 405 HB2 ARG 70 HB1 ARG 70 12.204 6.866 -11.842 406 HB3 ARG 70 HB2 ARG 70 13.458 8.116 -11.824 407 HG2 ARG 70 HG1 ARG 70 15.073 6.133 -11.333 408 HG3 ARG 70 HG2 ARG 70 13.753 5.153 -11.991 409 HD2 ARG 70 HD1 ARG 70 14.726 7.566 -13.488 410 HD3 ARG 70 HD2 ARG 70 15.610 6.037 -13.579 411 HE ARG 70 HE ARG 70 12.934 5.476 -14.092 412 HH11 ARG 70 HH11 ARG 70 15.541 7.289 -15.518 413 HH12 ARG 70 HH12 ARG 70 14.958 7.100 -17.140 414 HH21 ARG 70 HH21 ARG 70 12.157 5.221 -16.221 415 HH22 ARG 70 HH22 ARG 70 13.032 5.925 -17.537 416 H ARG 71 H ARG 71 11.299 7.128 -8.162 417 HA ARG 71 HA ARG 71 10.364 9.852 -8.729 418 HB2 ARG 71 HB1 ARG 71 9.067 7.446 -7.466 419 HB3 ARG 71 HB2 ARG 71 8.389 9.069 -7.270 420 HG2 ARG 71 HG1 ARG 71 8.866 7.683 -9.911 421 HG3 ARG 71 HG2 ARG 71 7.306 7.837 -9.083 422 HD2 ARG 71 HD1 ARG 71 7.636 10.347 -9.160 423 HD3 ARG 71 HD2 ARG 71 9.004 10.037 -10.238 424 HE ARG 71 HE ARG 71 7.532 9.575 -11.934 425 HH11 ARG 71 HH11 ARG 71 5.829 9.582 -8.897 426 HH12 ARG 71 HH12 ARG 71 4.261 9.482 -9.628 427 HH21 ARG 71 HH21 ARG 71 5.473 9.444 -12.907 428 HH22 ARG 71 HH22 ARG 71 4.059 9.403 -11.908 429 H ARG 72 H ARG 72 10.197 11.395 -7.133 430 HA ARG 72 HA ARG 72 12.045 11.222 -4.988 431 HB2 ARG 72 HB1 ARG 72 9.864 13.243 -5.565 432 HB3 ARG 72 HB2 ARG 72 11.112 13.433 -4.324 433 HG2 ARG 72 HG1 ARG 72 12.031 12.882 -7.092 434 HG3 ARG 72 HG2 ARG 72 11.344 14.480 -6.752 435 HD2 ARG 72 HD1 ARG 72 12.947 14.397 -4.668 436 HD3 ARG 72 HD2 ARG 72 13.803 13.199 -5.649 437 HE ARG 72 HE ARG 72 13.463 15.291 -7.349 438 HH11 ARG 72 HH11 ARG 72 14.815 14.950 -4.159 439 HH12 ARG 72 HH12 ARG 72 15.955 16.239 -4.363 440 HH21 ARG 72 HH21 ARG 72 14.959 16.989 -7.629 441 HH22 ARG 72 HH22 ARG 72 16.036 17.399 -6.336 442 H CYS 73 H CYS 73 11.656 11.255 -2.742 443 HA CYS 73 HA CYS 73 8.962 10.641 -1.811 444 HB2 CYS 73 HB1 CYS 73 9.538 8.613 -0.715 445 HB3 CYS 73 HB2 CYS 73 10.119 8.466 -2.373 446 H GLN 74 H GLN 74 8.616 11.097 0.368 447 HA GLN 74 HA GLN 74 10.824 12.526 1.697 448 HB2 GLN 74 HB1 GLN 74 8.624 13.739 0.870 449 HB3 GLN 74 HB2 GLN 74 7.973 13.087 2.381 450 HG2 GLN 74 HG1 GLN 74 8.737 14.957 3.320 451 HG3 GLN 74 HG2 GLN 74 10.323 14.179 3.219 452 HE21 GLN 74 HE21 GLN 74 9.569 17.015 3.130 453 HE22 GLN 74 HE22 GLN 74 10.231 17.630 1.659 454 H ARG 75 H ARG 75 8.358 10.111 1.972 455 HA ARG 75 HA ARG 75 9.188 9.611 4.755 456 HB2 ARG 75 HB1 ARG 75 6.605 10.111 3.754 457 HB3 ARG 75 HB2 ARG 75 6.665 8.377 4.105 458 HG2 ARG 75 HG1 ARG 75 7.504 8.931 6.393 459 HG3 ARG 75 HG2 ARG 75 7.205 10.636 6.015 460 HD2 ARG 75 HD1 ARG 75 5.028 10.435 6.455 461 HD3 ARG 75 HD2 ARG 75 4.896 9.048 5.366 462 HE ARG 75 HE ARG 75 5.013 7.643 7.175 463 HH11 ARG 75 HH11 ARG 75 5.967 10.851 8.134 464 HH12 ARG 75 HH12 ARG 75 5.992 10.479 9.826 465 HH21 ARG 75 HH21 ARG 75 5.043 7.141 9.401 466 HH22 ARG 75 HH22 ARG 75 5.468 8.368 10.545 467 H ASP 76 H ASP 76 9.515 7.471 5.389 468 HA ASP 76 HA ASP 76 10.701 5.764 3.546 469 HB2 ASP 76 HB1 ASP 76 10.295 3.981 5.378 470 HB3 ASP 76 HB2 ASP 76 11.296 5.385 5.775 471 HD2 ASP 76 HD ASP 76 7.977 4.833 7.766 472 H ALA 77 H ALA 77 7.373 5.929 4.658 473 HA ALA 77 HA ALA 77 6.602 3.511 3.279 474 HB1 ALA 77 HB1 ALA 77 4.642 5.515 4.314 475 HB2 ALA 77 HB2 ALA 77 4.524 3.756 4.256 476 HB3 ALA 77 HB3 ALA 77 5.579 4.532 5.438 477 H MET 78 H MET 78 6.652 6.933 2.647 478 HA MET 78 HA MET 78 4.760 7.145 0.624 479 HB2 MET 78 HB1 MET 78 7.053 8.678 1.570 480 HB3 MET 78 HB2 MET 78 6.820 8.824 -0.179 481 HG2 MET 78 HG1 MET 78 4.693 9.351 1.900 482 HG3 MET 78 HG2 MET 78 5.670 10.583 1.096 483 HE1 MET 78 HE1 MET 78 5.698 10.278 -1.971 484 HE2 MET 78 HE2 MET 78 4.172 11.117 -2.254 485 HE3 MET 78 HE3 MET 78 5.237 11.638 -0.947 486 H CYS 79 H CYS 79 7.890 5.663 0.602 487 HA CYS 79 HA CYS 79 8.093 5.582 -2.280 488 HB2 CYS 79 HB1 CYS 79 10.062 5.710 -0.689 489 HB3 CYS 79 HB2 CYS 79 9.734 4.026 -0.278 490 H CYS 80 H CYS 80 8.113 3.641 -3.529 491 HA CYS 80 HA CYS 80 5.935 1.981 -3.189 492 HB2 CYS 80 HB1 CYS 80 8.449 1.802 -4.800 493 HB3 CYS 80 HB2 CYS 80 7.399 0.387 -4.719 494 HA PRO 81 HA PRO 81 6.968 -1.134 -0.281 495 HB2 PRO 81 HB1 PRO 81 5.866 -3.379 -1.402 496 HB3 PRO 81 HB2 PRO 81 4.912 -2.073 -0.699 497 HG2 PRO 81 HG1 PRO 81 5.623 -2.576 -3.569 498 HG3 PRO 81 HG2 PRO 81 4.032 -2.124 -2.850 499 HD2 PRO 81 HD1 PRO 81 5.643 -0.327 -4.093 500 HD3 PRO 81 HD2 PRO 81 4.617 0.102 -2.713 501 H GLY 82 H GLY 82 8.985 -1.827 0.053 502 HA2 GLY 82 HA2 GLY 82 10.639 -3.524 -0.189 503 HA3 GLY 82 HA3 GLY 82 10.140 -3.731 -1.861 504 HA1 GLY 82 HA1 GLY 82 10.576 -2.652 -0.082 505 H THR 83 H THR 83 10.905 -0.709 -0.192 506 HA THR 83 HA THR 83 13.477 -0.497 -1.500 507 HB THR 83 HB THR 83 12.495 1.919 -2.290 508 HG1 THR 83 HG1 THR 83 10.400 0.046 -2.296 509 HG21 THR 83 HG21 THR 83 12.583 -0.659 -3.862 510 HG22 THR 83 HG22 THR 83 13.897 0.499 -3.653 511 HG23 THR 83 HG23 THR 83 12.463 0.948 -4.576 512 H LEU 84 H LEU 84 14.402 1.796 -1.062 513 HA LEU 84 HA LEU 84 13.574 2.650 1.633 514 HB2 LEU 84 HB1 LEU 84 16.165 1.747 0.623 515 HB3 LEU 84 HB2 LEU 84 16.239 3.312 1.452 516 HG LEU 84 HG LEU 84 16.748 1.398 2.929 517 HD11 LEU 84 HD11 LEU 84 15.340 2.098 4.770 518 HD12 LEU 84 HD12 LEU 84 14.204 2.848 3.648 519 HD13 LEU 84 HD13 LEU 84 15.833 3.500 3.820 520 HD21 LEU 84 HD21 LEU 84 14.835 0.044 1.650 521 HD22 LEU 84 HD22 LEU 84 13.895 0.614 3.030 522 HD23 LEU 84 HD23 LEU 84 15.350 -0.349 3.289 523 H CYS 85 H CYS 85 14.248 4.877 2.187 524 HA CYS 85 HA CYS 85 13.987 6.617 -0.166 525 HB2 CYS 85 HB1 CYS 85 13.020 6.743 2.631 526 HB3 CYS 85 HB2 CYS 85 13.548 8.276 1.931 527 H VAL 86 H VAL 86 15.909 7.291 -0.870 528 HA VAL 86 HA VAL 86 17.792 8.392 1.107 529 HB VAL 86 HB VAL 86 18.543 6.772 -1.331 530 HG11 VAL 86 HG11 VAL 86 20.848 7.044 -0.562 531 HG12 VAL 86 HG12 VAL 86 20.107 8.604 -0.926 532 HG13 VAL 86 HG13 VAL 86 20.291 8.084 0.750 533 HG21 VAL 86 HG21 VAL 86 17.695 5.426 0.547 534 HG22 VAL 86 HG22 VAL 86 19.409 5.142 0.244 535 HG23 VAL 86 HG23 VAL 86 18.908 6.153 1.600 536 H ASN 87 H ASN 87 18.735 10.308 0.587 537 HA ASN 87 HA ASN 87 19.022 12.314 -0.445 538 HB2 ASN 87 HB1 ASN 87 19.944 10.443 -2.177 539 HB3 ASN 87 HB2 ASN 87 18.703 11.213 -3.174 540 HD21 ASN 87 HD21 ASN 87 19.154 13.074 -4.147 541 HD22 ASN 87 HD22 ASN 87 20.565 14.030 -3.867 542 H ASP 88 H ASP 88 16.334 11.458 0.206 543 HA ASP 88 HA ASP 88 14.199 12.208 -0.023 544 HB2 ASP 88 HB1 ASP 88 15.102 14.204 -2.082 545 HB3 ASP 88 HB2 ASP 88 13.845 14.366 -0.848 546 HD2 ASP 88 HD ASP 88 17.523 15.365 0.073 547 H VAL 89 H VAL 89 15.417 10.211 -1.882 548 HA VAL 89 HA VAL 89 13.201 10.146 -3.771 549 HB VAL 89 HB VAL 89 15.012 11.288 -5.000 550 HG11 VAL 89 HG11 VAL 89 16.539 8.762 -4.398 551 HG12 VAL 89 HG12 VAL 89 17.015 9.926 -5.637 552 HG13 VAL 89 HG13 VAL 89 16.962 10.412 -3.941 553 HG21 VAL 89 HG21 VAL 89 14.482 8.488 -5.991 554 HG22 VAL 89 HG22 VAL 89 13.392 9.862 -6.179 555 HG23 VAL 89 HG23 VAL 89 14.966 9.870 -6.973 556 H CYS 90 H CYS 90 12.711 8.073 -4.542 557 HA CYS 90 HA CYS 90 13.186 5.950 -2.794 558 HB2 CYS 90 HB1 CYS 90 12.144 6.100 -5.615 559 HB3 CYS 90 HB2 CYS 90 12.348 4.545 -4.806 560 H THR 91 H THR 91 14.621 4.293 -2.738 561 HA THR 91 HA THR 91 16.455 3.835 -4.933 562 HB THR 91 HB THR 91 17.495 4.709 -2.230 563 HG1 THR 91 HG1 THR 91 18.057 5.938 -4.714 564 HG21 THR 91 HG21 THR 91 18.836 2.905 -3.235 565 HG22 THR 91 HG22 THR 91 19.714 4.434 -3.198 566 HG23 THR 91 HG23 THR 91 19.004 3.862 -4.706 567 H THR 92 H THR 92 17.102 1.756 -5.025 568 HA THR 92 HA THR 92 15.856 -0.240 -3.587 569 HB THR 92 HB THR 92 17.480 -1.795 -4.483 570 HG1 THR 92 HG1 THR 92 19.019 0.398 -5.419 571 HG21 THR 92 HG21 THR 92 16.684 -1.567 -6.562 572 HG22 THR 92 HG22 THR 92 17.511 -0.026 -6.792 573 HG23 THR 92 HG23 THR 92 15.936 -0.073 -6.002 574 H MET 93 H MET 93 16.524 -1.655 -1.931 575 HA MET 93 HA MET 93 17.869 -0.404 0.227 576 HB2 MET 93 HB1 MET 93 16.089 -2.028 0.597 577 HB3 MET 93 HB2 MET 93 17.067 -3.293 -0.163 578 HG2 MET 93 HG1 MET 93 18.407 -3.571 1.652 579 HG3 MET 93 HG2 MET 93 18.268 -1.878 2.137 580 HE1 MET 93 HE1 MET 93 18.330 -2.510 4.349 581 HE2 MET 93 HE2 MET 93 16.867 -2.714 5.312 582 HE3 MET 93 HE3 MET 93 17.772 -4.129 4.774 583 H GLU 94 H GLU 94 18.841 -2.746 -2.203 584 HA GLU 94 HA GLU 94 21.252 -3.585 -1.044 585 HB2 GLU 94 HB1 GLU 94 20.586 -3.296 -3.985 586 HB3 GLU 94 HB2 GLU 94 21.899 -4.273 -3.306 587 HG2 GLU 94 HG1 GLU 94 20.015 -5.476 -1.995 588 HG3 GLU 94 HG2 GLU 94 18.953 -4.754 -3.213 589 HE2 GLU 94 HE GLU 94 20.798 -6.654 -5.714 590 H ASP 95 H ASP 95 20.422 -0.726 -2.877 591 HA ASP 95 HA ASP 95 23.217 0.114 -2.998 592 HB2 ASP 95 HB1 ASP 95 21.554 0.350 -4.943 593 HB3 ASP 95 HB2 ASP 95 20.848 1.678 -4.010 594 HD2 ASP 95 HD ASP 95 23.685 3.688 -4.519 595 H ALA 96 H ALA 96 20.261 0.774 -1.292 596 HA ALA 96 HA ALA 96 21.045 3.288 -0.201 597 HB1 ALA 96 HB1 ALA 96 18.930 1.311 0.630 598 HB2 ALA 96 HB2 ALA 96 19.154 2.890 1.384 599 HB3 ALA 96 HB3 ALA 96 18.716 2.782 -0.320 600 H THR 97 H THR 97 21.765 3.769 1.889 601 HA THR 97 HA THR 97 22.984 3.507 3.794 602 HB THR 97 HB THR 97 22.446 0.587 3.984 603 HG1 THR 97 HG1 THR 97 20.281 1.426 4.891 604 HG21 THR 97 HG21 THR 97 23.410 1.343 5.926 605 HG22 THR 97 HG22 THR 97 21.707 1.568 6.325 606 HG23 THR 97 HG23 THR 97 22.677 2.942 5.795 607 H GLU 98 H GLU 98 24.370 3.349 1.412 608 HA GLU 98 HA GLU 98 26.091 1.059 1.357 609 HB2 GLU 98 HB1 GLU 98 25.464 2.542 -0.618 610 HB3 GLU 98 HB2 GLU 98 26.616 3.717 0.036 611 HG2 GLU 98 HG1 GLU 98 28.258 1.665 -0.001 612 HG3 GLU 98 HG2 GLU 98 27.122 1.071 -1.219 613 HE2 GLU 98 HE GLU 98 27.992 3.715 -3.410 614 H ASN 99 H ASN 99 28.031 0.766 2.291 615 HA ASN 99 HA ASN 99 28.815 2.379 4.466 616 HB2 ASN 99 HB1 ASN 99 30.160 0.138 2.958 617 HB3 ASN 99 HB2 ASN 99 30.971 0.973 4.289 618 HD21 ASN 99 HD21 ASN 99 29.776 -1.803 3.840 619 HD22 ASN 99 HD22 ASN 99 28.848 -2.077 5.272 620 H LEU 100 H LEU 100 30.968 3.398 4.717 621 HA LEU 100 HA LEU 100 31.769 4.781 2.241 622 HB2 LEU 100 HB1 LEU 100 30.692 5.915 4.482 623 HB3 LEU 100 HB2 LEU 100 32.432 6.074 4.788 624 HG LEU 100 HG LEU 100 32.659 7.254 2.615 625 HD11 LEU 100 HD11 LEU 100 30.832 6.470 1.353 626 HD12 LEU 100 HD12 LEU 100 30.496 8.171 1.671 627 HD13 LEU 100 HD13 LEU 100 29.673 6.921 2.603 628 HD21 LEU 100 HD21 LEU 100 30.710 9.002 3.773 629 HD22 LEU 100 HD22 LEU 100 32.470 9.114 3.809 630 HD23 LEU 100 HD23 LEU 100 31.619 8.194 5.051 631 H TYR 101 H TYR 101 34.028 5.540 2.205 632 HA TYR 101 HA TYR 101 35.793 3.418 3.003 633 HB2 TYR 101 HB1 TYR 101 35.795 5.534 1.072 634 HB3 TYR 101 HB2 TYR 101 37.271 5.646 2.034 635 HD1 TYR 101 HD1 TYR 101 39.083 4.673 1.002 636 HD2 TYR 101 HD2 TYR 101 35.279 2.802 0.632 637 HE1 TYR 101 HE1 TYR 101 40.108 2.860 -0.306 638 HE2 TYR 101 HE2 TYR 101 36.295 0.984 -0.676 639 HH TYR 101 HH TYR 101 38.338 -0.014 -1.165 640 H PHE 102 H PHE 102 37.991 4.053 3.953 641 HA PHE 102 HA PHE 102 37.697 6.094 6.044 642 HB2 PHE 102 HB1 PHE 102 38.432 3.192 6.397 643 HB3 PHE 102 HB2 PHE 102 38.949 4.415 7.559 644 HD1 PHE 102 HD1 PHE 102 36.122 2.522 6.275 645 HD2 PHE 102 HD2 PHE 102 37.334 5.606 8.946 646 HE1 PHE 102 HE1 PHE 102 33.954 2.370 7.429 647 HE2 PHE 102 HE2 PHE 102 35.169 5.459 10.106 648 HZ PHE 102 HZ PHE 102 33.476 3.837 9.348 649 H GLN 103 H GLN 103 39.159 5.995 3.492 650 HA GLN 103 HA GLN 103 41.916 5.568 3.969 651 HB2 GLN 103 HB1 GLN 103 40.237 6.516 1.805 652 HB3 GLN 103 HB2 GLN 103 41.714 7.483 1.938 653 HG2 GLN 103 HG1 GLN 103 42.436 4.745 2.191 654 HG3 GLN 103 HG2 GLN 103 41.378 4.919 0.785 655 HE21 GLN 103 HE21 GLN 103 42.430 5.242 -1.026 656 HE22 GLN 103 HE22 GLN 103 43.917 6.102 -1.209 657 H SER 104 H SER 104 43.591 7.255 3.935 658 HA SER 104 HA SER 104 43.049 9.951 4.545 659 HB2 SER 104 HB1 SER 104 42.634 8.240 6.732 660 HB3 SER 104 HB2 SER 104 44.219 8.982 7.014 661 HG SER 104 HG SER 104 41.860 10.073 7.408 662 H LEU 105 H LEU 105 45.072 11.054 5.456 663 HA LEU 105 HA LEU 105 47.456 9.695 4.382 664 HB2 LEU 105 HB1 LEU 105 46.402 12.443 4.053 665 HB3 LEU 105 HB2 LEU 105 48.154 12.292 4.280 666 HG LEU 105 HG LEU 105 47.277 10.419 2.292 667 HD11 LEU 105 HD11 LEU 105 46.100 11.632 0.786 668 HD12 LEU 105 HD12 LEU 105 46.812 13.164 1.293 669 HD13 LEU 105 HD13 LEU 105 45.525 12.430 2.250 670 HD21 LEU 105 HD21 LEU 105 49.177 12.708 2.519 671 HD22 LEU 105 HD22 LEU 105 48.825 12.028 0.929 672 HD23 LEU 105 HD23 LEU 105 49.499 11.004 2.198 673 H GLU 106 H GLU 106 48.704 9.043 6.005 674 HA GLU 106 HA GLU 106 49.051 10.847 8.311 675 HB2 GLU 106 HB1 GLU 106 48.635 7.919 8.127 676 HB3 GLU 106 HB2 GLU 106 49.838 8.464 9.306 677 HG2 GLU 106 HG1 GLU 106 47.033 9.556 9.196 678 HG3 GLU 106 HG2 GLU 106 47.501 8.161 10.178 679 HE2 GLU 106 HE GLU 106 49.001 10.149 12.562 680 H HIS 107 H HIS 107 50.936 11.862 8.072 681 HA HIS 107 HA HIS 107 53.372 10.348 7.965 682 HB2 HIS 107 HB1 HIS 107 52.282 11.155 5.513 683 HB3 HIS 107 HB2 HIS 107 53.564 12.323 5.853 684 HD1 HIS 107 HD1 HIS 107 55.451 11.588 4.413 685 HD2 HIS 107 HD2 HIS 107 53.739 8.420 6.485 686 HE1 HIS 107 HE1 HIS 107 56.909 9.598 3.924 687 HE2 HIS 107 HE2 HIS 107 55.864 7.662 5.190 688 H HIS 108 H HIS 108 55.272 11.684 8.299 689 HA HIS 108 HA HIS 108 54.659 13.958 9.981 690 HB2 HIS 108 HB1 HIS 108 57.097 12.316 9.402 691 HB3 HIS 108 HB2 HIS 108 57.297 13.920 10.115 692 HD1 HIS 108 HD1 HIS 108 56.106 10.487 10.918 693 HD2 HIS 108 HD2 HIS 108 56.359 14.203 12.759 694 HE1 HIS 108 HE1 HIS 108 55.679 10.058 13.359 695 HE2 HIS 108 HE2 HIS 108 55.833 12.328 14.485 696 H HIS 109 H HIS 109 56.113 15.929 9.794 697 HA HIS 109 HA HIS 109 56.842 16.600 7.051 698 HB2 HIS 109 HB1 HIS 109 54.359 17.241 7.742 699 HB3 HIS 109 HB2 HIS 109 55.176 18.607 8.506 700 HD1 HIS 109 HD1 HIS 109 54.023 17.387 5.247 701 HD2 HIS 109 HD2 HIS 109 56.641 20.286 6.663 702 HE1 HIS 109 HE1 HIS 109 54.448 18.918 3.298 703 HE2 HIS 109 HE2 HIS 109 56.048 20.690 4.163 704 H HIS 110 H HIS 110 58.968 16.851 7.588 705 HA HIS 110 HA HIS 110 59.660 18.648 9.791 706 HB2 HIS 110 HB1 HIS 110 61.991 17.868 9.379 707 HB3 HIS 110 HB2 HIS 110 60.870 16.565 9.790 708 HD1 HIS 110 HD1 HIS 110 62.792 17.952 6.870 709 HD2 HIS 110 HD2 HIS 110 60.514 14.620 7.854 710 HE1 HIS 110 HE1 HIS 110 63.131 16.324 4.983 711 HE2 HIS 110 HE2 HIS 110 61.739 14.287 5.584 712 H HIS 111 H HIS 111 60.420 20.652 9.490 713 HA HIS 111 HA HIS 111 61.271 21.443 6.788 714 HB2 HIS 111 HB1 HIS 111 59.048 22.496 8.401 715 HB3 HIS 111 HB2 HIS 111 60.131 23.739 7.767 716 HD1 HIS 111 HD1 HIS 111 57.079 22.721 6.867 717 HD2 HIS 111 HD2 HIS 111 60.667 22.533 4.782 718 HE1 HIS 111 HE1 HIS 111 56.438 22.578 4.440 719 HE2 HIS 111 HE2 HIS 111 58.631 22.462 3.164 720 H HIS 112 H HIS 112 62.550 23.460 6.766 721 HA HIS 112 HA HIS 112 64.528 24.435 7.393 722 HB2 HIS 112 HB1 HIS 112 64.279 25.983 9.120 723 HB3 HIS 112 HB2 HIS 112 62.617 25.693 8.595 724 HD1 HIS 112 HD1 HIS 112 60.991 24.756 10.279 725 HD2 HIS 112 HD2 HIS 112 64.919 24.718 11.632 726 HE1 HIS 112 HE1 HIS 112 60.857 24.139 12.713 727 HE2 HIS 112 HE2 HIS 112 63.258 24.116 13.541 Start of MODEL 69 1 H1 MET 18 H MET 18 32.202 -26.439 28.709 2 HA MET 18 HA MET 18 31.212 -24.497 30.139 3 HB2 MET 18 HB1 MET 18 33.781 -23.401 28.980 4 HB3 MET 18 HB2 MET 18 32.481 -22.385 29.618 5 HG2 MET 18 HG1 MET 18 32.721 -23.566 31.811 6 HG3 MET 18 HG2 MET 18 34.139 -24.375 31.142 7 HE1 MET 18 HE1 MET 18 36.508 -23.247 30.838 8 HE2 MET 18 HE2 MET 18 36.864 -22.157 32.178 9 HE3 MET 18 HE3 MET 18 36.047 -23.691 32.482 10 H LEU 19 H LEU 19 29.587 -25.038 28.652 11 HA LEU 19 HA LEU 19 29.498 -23.299 26.336 12 HB2 LEU 19 HB1 LEU 19 28.780 -25.181 24.841 13 HB3 LEU 19 HB2 LEU 19 30.493 -25.175 25.295 14 HG LEU 19 HG LEU 19 29.001 -26.804 27.133 15 HD11 LEU 19 HD11 LEU 19 27.398 -27.485 25.681 16 HD12 LEU 19 HD12 LEU 19 28.687 -28.577 25.172 17 HD13 LEU 19 HD13 LEU 19 28.365 -27.103 24.257 18 HD21 LEU 19 HD21 LEU 19 31.077 -27.544 25.076 19 HD22 LEU 19 HD22 LEU 19 30.653 -28.446 26.531 20 HD23 LEU 19 HD23 LEU 19 31.436 -26.871 26.666 21 H VAL 20 H VAL 20 27.623 -22.292 26.577 22 HA VAL 20 HA VAL 20 25.338 -23.778 27.683 23 HB VAL 20 HB VAL 20 24.349 -21.485 28.053 24 HG11 VAL 20 HG11 VAL 20 26.887 -21.570 29.584 25 HG12 VAL 20 HG12 VAL 20 25.223 -21.402 30.151 26 HG13 VAL 20 HG13 VAL 20 25.836 -22.984 29.669 27 HG21 VAL 20 HG21 VAL 20 26.466 -20.666 26.467 28 HG22 VAL 20 HG22 VAL 20 25.395 -19.624 27.404 29 HG23 VAL 20 HG23 VAL 20 26.928 -20.159 28.092 30 H LEU 21 H LEU 21 23.629 -24.205 26.443 31 HA LEU 21 HA LEU 21 23.644 -23.454 23.674 32 HB2 LEU 21 HB1 LEU 21 22.107 -25.266 25.420 33 HB3 LEU 21 HB2 LEU 21 21.214 -24.592 24.045 34 HG LEU 21 HG LEU 21 22.219 -26.831 23.623 35 HD11 LEU 21 HD11 LEU 21 23.624 -25.031 21.751 36 HD12 LEU 21 HD12 LEU 21 21.889 -24.782 21.934 37 HD13 LEU 21 HD13 LEU 21 22.505 -26.357 21.434 38 HD21 LEU 21 HD21 LEU 21 24.361 -26.049 24.950 39 HD22 LEU 21 HD22 LEU 21 24.888 -25.546 23.344 40 HD23 LEU 21 HD23 LEU 21 24.468 -27.234 23.647 41 H ASP 22 H ASP 22 22.609 -21.820 22.720 42 HA ASP 22 HA ASP 22 20.936 -20.090 24.381 43 HB2 ASP 22 HB1 ASP 22 22.701 -19.715 22.059 44 HB3 ASP 22 HB2 ASP 22 21.187 -18.806 21.969 45 HD2 ASP 22 HD ASP 22 23.939 -17.618 24.491 46 H PHE 23 H PHE 23 18.811 -19.750 24.031 47 HA PHE 23 HA PHE 23 17.587 -20.875 21.613 48 HB2 PHE 23 HB1 PHE 23 17.427 -22.464 23.591 49 HB3 PHE 23 HB2 PHE 23 16.389 -21.260 24.357 50 HD1 PHE 23 HD1 PHE 23 16.666 -23.089 21.118 51 HD2 PHE 23 HD2 PHE 23 14.117 -21.454 24.109 52 HE1 PHE 23 HE1 PHE 23 14.706 -24.002 19.942 53 HE2 PHE 23 HE2 PHE 23 12.153 -22.365 22.938 54 HZ PHE 23 HZ PHE 23 12.446 -23.641 20.853 55 H ASN 24 H ASN 24 16.899 -19.050 20.661 56 HA ASN 24 HA ASN 24 14.733 -17.599 21.825 57 HB2 ASN 24 HB1 ASN 24 17.147 -16.649 22.633 58 HB3 ASN 24 HB2 ASN 24 16.908 -15.712 21.153 59 HD21 ASN 24 HD21 ASN 24 15.276 -16.640 24.148 60 HD22 ASN 24 HD22 ASN 24 14.391 -15.167 24.328 61 H ASN 25 H ASN 25 13.420 -17.458 20.138 62 HA ASN 25 HA ASN 25 14.138 -16.051 17.777 63 HB2 ASN 25 HB1 ASN 25 15.254 -18.048 17.095 64 HB3 ASN 25 HB2 ASN 25 13.898 -19.056 17.611 65 HD21 ASN 25 HD21 ASN 25 14.547 -16.328 15.438 66 HD22 ASN 25 HD22 ASN 25 13.546 -16.896 14.150 67 H ILE 26 H ILE 26 12.278 -14.912 18.493 68 HA ILE 26 HA ILE 26 9.778 -16.172 17.619 69 HB ILE 26 HB ILE 26 8.591 -15.022 19.519 70 HG12 ILE 26 HG11 ILE 26 11.224 -15.030 20.957 71 HG13 ILE 26 HG12 ILE 26 10.771 -13.628 19.974 72 HG21 ILE 26 HG21 ILE 26 8.527 -17.107 20.276 73 HG22 ILE 26 HG22 ILE 26 10.056 -17.472 19.479 74 HG23 ILE 26 HG23 ILE 26 10.050 -16.828 21.120 75 HD11 ILE 26 HD11 ILE 26 10.158 -13.226 22.259 76 HD12 ILE 26 HD12 ILE 26 8.698 -13.405 21.287 77 HD13 ILE 26 HD13 ILE 26 9.241 -14.731 22.316 78 H ARG 27 H ARG 27 8.364 -14.826 16.585 79 HA ARG 27 HA ARG 27 8.401 -12.009 16.744 80 HB2 ARG 27 HB1 ARG 27 10.501 -12.952 15.245 81 HB3 ARG 27 HB2 ARG 27 9.265 -12.653 14.016 82 HG2 ARG 27 HG1 ARG 27 10.326 -10.624 14.057 83 HG3 ARG 27 HG2 ARG 27 9.023 -10.353 15.227 84 HD2 ARG 27 HD1 ARG 27 10.465 -10.608 17.078 85 HD3 ARG 27 HD2 ARG 27 11.732 -11.331 16.078 86 HE ARG 27 HE ARG 27 11.256 -8.746 15.130 87 HH11 ARG 27 HH11 ARG 27 12.511 -10.334 17.964 88 HH12 ARG 27 HH12 ARG 27 13.571 -9.031 18.385 89 HH21 ARG 27 HH21 ARG 27 12.649 -7.023 15.674 90 HH22 ARG 27 HH22 ARG 27 13.649 -7.147 17.083 91 H SER 28 H SER 28 6.419 -11.379 16.210 92 HA SER 28 HA SER 28 5.049 -12.419 13.907 93 HB2 SER 28 HB1 SER 28 4.593 -13.619 16.497 94 HB3 SER 28 HB2 SER 28 3.117 -12.827 15.917 95 HG SER 28 HG SER 28 4.644 -14.816 14.595 96 H SER 29 H SER 29 3.339 -11.127 13.257 97 HA SER 29 HA SER 29 2.281 -9.061 14.950 98 HB2 SER 29 HB1 SER 29 4.648 -8.457 13.587 99 HB3 SER 29 HB2 SER 29 3.364 -7.730 12.605 100 HG SER 29 HG SER 29 2.656 -6.599 14.414 101 H ALA 30 H ALA 30 0.352 -8.286 14.211 102 HA ALA 30 HA ALA 30 -0.486 -8.346 11.513 103 HB1 ALA 30 HB1 ALA 30 -1.060 -10.739 13.162 104 HB2 ALA 30 HB2 ALA 30 -2.361 -10.130 12.137 105 HB3 ALA 30 HB3 ALA 30 -0.816 -10.590 11.421 106 H ASP 31 H ASP 31 -2.122 -6.949 11.281 107 HA ASP 31 HA ASP 31 -4.289 -6.670 13.058 108 HB2 ASP 31 HB1 ASP 31 -3.656 -4.256 13.761 109 HB3 ASP 31 HB2 ASP 31 -2.950 -5.613 14.653 110 HD2 ASP 31 HD ASP 31 0.241 -4.946 13.424 111 H LEU 32 H LEU 32 -5.914 -5.831 11.922 112 HA LEU 32 HA LEU 32 -5.364 -3.830 9.863 113 HB2 LEU 32 HB1 LEU 32 -5.708 -6.487 9.211 114 HB3 LEU 32 HB2 LEU 32 -7.331 -5.805 9.008 115 HG LEU 32 HG LEU 32 -6.217 -5.767 6.891 116 HD11 LEU 32 HD11 LEU 32 -6.889 -3.701 6.324 117 HD12 LEU 32 HD12 LEU 32 -5.870 -2.923 7.534 118 HD13 LEU 32 HD13 LEU 32 -7.422 -3.615 8.003 119 HD21 LEU 32 HD21 LEU 32 -4.068 -3.969 7.927 120 HD22 LEU 32 HD22 LEU 32 -4.086 -4.983 6.484 121 HD23 LEU 32 HD23 LEU 32 -3.900 -5.718 8.076 122 H HIS 33 H HIS 33 -6.766 -2.207 9.978 123 HA HIS 33 HA HIS 33 -9.486 -2.720 10.941 124 HB2 HIS 33 HB1 HIS 33 -7.541 -1.579 12.559 125 HB3 HIS 33 HB2 HIS 33 -8.425 -0.186 11.929 126 HD1 HIS 33 HD1 HIS 33 -9.668 -3.574 13.155 127 HD2 HIS 33 HD2 HIS 33 -10.246 0.489 13.799 128 HE1 HIS 33 HE1 HIS 33 -11.511 -3.419 14.859 129 HE2 HIS 33 HE2 HIS 33 -11.864 -0.935 15.254 130 H GLY 34 H GLY 34 -11.043 -1.166 10.278 131 HA2 GLY 34 HA2 GLY 34 -10.412 1.122 8.738 132 HA3 GLY 34 HA3 GLY 34 -10.757 -0.229 7.669 133 HA1 GLY 34 HA1 GLY 34 -10.836 0.890 9.476 134 H ALA 35 H ALA 35 -12.140 2.411 8.645 135 HA ALA 35 HA ALA 35 -14.731 1.274 9.398 136 HB1 ALA 35 HB1 ALA 35 -14.569 3.030 10.792 137 HB2 ALA 35 HB2 ALA 35 -13.418 3.879 9.759 138 HB3 ALA 35 HB3 ALA 35 -15.143 3.948 9.399 139 H ARG 36 H ARG 36 -13.088 2.854 6.770 140 HA ARG 36 HA ARG 36 -13.672 3.109 4.580 141 HB2 ARG 36 HB1 ARG 36 -14.936 0.897 5.106 142 HB3 ARG 36 HB2 ARG 36 -16.376 1.923 5.114 143 HG2 ARG 36 HG1 ARG 36 -15.594 2.729 2.803 144 HG3 ARG 36 HG2 ARG 36 -14.531 1.312 2.837 145 HD2 ARG 36 HD1 ARG 36 -17.196 0.563 3.644 146 HD3 ARG 36 HD2 ARG 36 -17.235 1.410 2.090 147 HE ARG 36 HE ARG 36 -15.185 -0.475 1.972 148 HH11 ARG 36 HH11 ARG 36 -18.654 -0.380 2.250 149 HH12 ARG 36 HH12 ARG 36 -18.889 -1.901 1.457 150 HH21 ARG 36 HH21 ARG 36 -15.483 -2.481 0.927 151 HH22 ARG 36 HH22 ARG 36 -17.085 -3.096 0.705 152 H LYS 37 H LYS 37 -16.800 3.417 6.263 153 HA LYS 37 HA LYS 37 -18.303 5.120 6.379 154 HB2 LYS 37 HB1 LYS 37 -15.788 6.195 7.015 155 HB3 LYS 37 HB2 LYS 37 -16.537 7.359 5.911 156 HG2 LYS 37 HG1 LYS 37 -18.622 7.060 7.471 157 HG3 LYS 37 HG2 LYS 37 -17.402 6.503 8.630 158 HD2 LYS 37 HD1 LYS 37 -16.634 8.576 8.989 159 HD3 LYS 37 HD2 LYS 37 -16.602 8.941 7.255 160 HE2 LYS 37 HE1 LYS 37 -19.251 8.810 8.634 161 HE3 LYS 37 HE2 LYS 37 -18.219 10.224 8.896 162 HZ1 LYS 37 HZ1 LYS 37 -19.843 10.395 7.014 163 HZ2 LYS 37 HZ2 LYS 37 -18.922 9.239 6.191 164 HZ3 LYS 37 HZ3 LYS 37 -18.235 10.728 6.607 165 H GLY 38 H GLY 38 -18.619 7.522 5.162 166 HA2 GLY 38 HA2 GLY 38 -18.786 6.733 2.331 167 HA3 GLY 38 HA3 GLY 38 -19.829 7.905 3.125 168 HA1 GLY 38 HA1 GLY 38 -18.009 6.885 2.719 169 H SER 39 H SER 39 -16.318 7.463 2.659 170 HA SER 39 HA SER 39 -16.197 10.131 1.464 171 HB2 SER 39 HB1 SER 39 -14.037 10.473 2.877 172 HB3 SER 39 HB2 SER 39 -15.613 10.753 3.641 173 HG SER 39 HG SER 39 -13.872 8.554 3.946 174 H GLN 40 H GLN 40 -13.685 10.497 0.898 175 HA GLN 40 HA GLN 40 -13.100 8.726 -1.175 176 HB2 GLN 40 HB1 GLN 40 -11.881 11.067 0.041 177 HB3 GLN 40 HB2 GLN 40 -10.663 9.898 -0.493 178 HG2 GLN 40 HG1 GLN 40 -10.844 10.966 -2.455 179 HG3 GLN 40 HG2 GLN 40 -12.263 9.929 -2.656 180 HE21 GLN 40 HE21 GLN 40 -13.974 10.964 -3.356 181 HE22 GLN 40 HE22 GLN 40 -14.395 12.603 -3.007 182 H CYS 41 H CYS 41 -10.964 9.209 1.633 183 HA CYS 41 HA CYS 41 -10.830 6.391 2.185 184 HB2 CYS 41 HB1 CYS 41 -8.465 6.095 1.705 185 HB3 CYS 41 HB2 CYS 41 -9.328 6.554 0.237 186 H LEU 42 H LEU 42 -10.083 5.978 4.220 187 HA LEU 42 HA LEU 42 -9.833 8.212 5.993 188 HB2 LEU 42 HB1 LEU 42 -10.418 5.437 6.193 189 HB3 LEU 42 HB2 LEU 42 -9.043 5.787 7.255 190 HG LEU 42 HG LEU 42 -10.536 7.705 8.159 191 HD11 LEU 42 HD11 LEU 42 -12.839 7.540 7.888 192 HD12 LEU 42 HD12 LEU 42 -12.746 5.899 7.252 193 HD13 LEU 42 HD13 LEU 42 -12.216 7.258 6.263 194 HD21 LEU 42 HD21 LEU 42 -9.976 5.989 9.632 195 HD22 LEU 42 HD22 LEU 42 -10.853 4.773 8.702 196 HD23 LEU 42 HD23 LEU 42 -11.740 5.981 9.633 197 H SER 43 H SER 43 -7.639 6.063 4.374 198 HA SER 43 HA SER 43 -5.393 7.691 5.077 199 HB2 SER 43 HB1 SER 43 -5.792 6.101 7.084 200 HB3 SER 43 HB2 SER 43 -5.181 4.834 6.005 201 HG SER 43 HG SER 43 -3.592 5.965 7.383 202 H ASP 44 H ASP 44 -3.423 7.014 3.984 203 HA ASP 44 HA ASP 44 -3.821 6.275 1.340 204 HB2 ASP 44 HB1 ASP 44 -1.377 6.015 1.196 205 HB3 ASP 44 HB2 ASP 44 -1.828 7.476 2.086 206 HD2 ASP 44 HD ASP 44 -0.500 6.267 5.056 207 H THR 45 H THR 45 -3.335 4.302 4.155 208 HA THR 45 HA THR 45 -2.518 1.918 2.892 209 HB THR 45 HB THR 45 -3.930 1.043 5.081 210 HG1 THR 45 HG1 THR 45 -2.756 3.462 5.941 211 HG21 THR 45 HG21 THR 45 -1.354 1.047 4.273 212 HG22 THR 45 HG22 THR 45 -1.877 0.497 5.864 213 HG23 THR 45 HG23 THR 45 -1.248 2.132 5.659 214 H ASP 46 H ASP 46 -5.607 3.453 3.216 215 HA ASP 46 HA ASP 46 -7.051 1.051 2.418 216 HB2 ASP 46 HB1 ASP 46 -7.812 3.760 3.426 217 HB3 ASP 46 HB2 ASP 46 -8.990 2.865 2.458 218 HD2 ASP 46 HD ASP 46 -8.076 1.433 6.044 219 H CYS 47 H CYS 47 -5.159 2.948 0.765 220 HA CYS 47 HA CYS 47 -6.927 3.690 -1.413 221 HB2 CYS 47 HB1 CYS 47 -5.080 5.180 -0.782 222 HB3 CYS 47 HB2 CYS 47 -3.920 3.902 -1.154 223 H ASN 48 H ASN 48 -7.660 1.557 -1.954 224 HA ASN 48 HA ASN 48 -7.695 -0.241 -3.352 225 HB2 ASN 48 HB1 ASN 48 -5.663 1.472 -4.449 226 HB3 ASN 48 HB2 ASN 48 -5.160 -0.214 -4.617 227 HD21 ASN 48 HD21 ASN 48 -6.998 2.243 -5.930 228 HD22 ASN 48 HD22 ASN 48 -7.929 1.308 -7.045 229 H THR 49 H THR 49 -4.192 -0.059 -2.788 230 HA THR 49 HA THR 49 -4.080 -1.926 -0.694 231 HB THR 49 HB THR 49 -2.869 -3.609 -2.535 232 HG1 THR 49 HG1 THR 49 -4.000 -2.485 -4.220 233 HG21 THR 49 HG21 THR 49 -4.245 -5.173 -1.623 234 HG22 THR 49 HG22 THR 49 -5.687 -4.177 -1.823 235 HG23 THR 49 HG23 THR 49 -4.580 -3.867 -0.486 236 H ARG 50 H ARG 50 -2.165 -1.760 -3.694 237 HA ARG 50 HA ARG 50 0.184 -1.092 -2.076 238 HB2 ARG 50 HB1 ARG 50 -0.104 -2.089 -4.917 239 HB3 ARG 50 HB2 ARG 50 1.442 -1.635 -4.185 240 HG2 ARG 50 HG1 ARG 50 1.627 -3.562 -3.070 241 HG3 ARG 50 HG2 ARG 50 -0.073 -3.533 -2.574 242 HD2 ARG 50 HD1 ARG 50 -0.805 -4.562 -4.554 243 HD3 ARG 50 HD2 ARG 50 0.707 -4.191 -5.394 244 HE ARG 50 HE ARG 50 1.443 -5.832 -3.330 245 HH11 ARG 50 HH11 ARG 50 -0.777 -6.041 -6.002 246 HH12 ARG 50 HH12 ARG 50 -0.628 -7.760 -6.163 247 HH21 ARG 50 HH21 ARG 50 1.649 -8.095 -3.530 248 HH22 ARG 50 HH22 ARG 50 0.751 -8.927 -4.754 249 H LYS 51 H LYS 51 -1.633 0.976 -2.380 250 HA LYS 51 HA LYS 51 -0.004 2.890 -3.856 251 HB2 LYS 51 HB1 LYS 51 -2.924 2.356 -4.382 252 HB3 LYS 51 HB2 LYS 51 -2.181 3.919 -4.755 253 HG2 LYS 51 HG1 LYS 51 -1.877 2.966 -6.775 254 HG3 LYS 51 HG2 LYS 51 -0.431 2.313 -5.984 255 HD2 LYS 51 HD1 LYS 51 -1.167 0.264 -6.462 256 HD3 LYS 51 HD2 LYS 51 -2.494 0.544 -5.321 257 HE2 LYS 51 HE1 LYS 51 -3.708 1.690 -7.267 258 HE3 LYS 51 HE2 LYS 51 -2.475 0.953 -8.298 259 HZ1 LYS 51 HZ1 LYS 51 -3.702 -0.892 -6.457 260 HZ2 LYS 51 HZ2 LYS 51 -3.412 -1.051 -8.116 261 HZ3 LYS 51 HZ3 LYS 51 -4.786 -0.227 -7.572 262 H PHE 52 H PHE 52 -0.818 5.181 -3.424 263 HA PHE 52 HA PHE 52 -1.899 5.361 -0.691 264 HB2 PHE 52 HB1 PHE 52 -0.362 7.104 -0.144 265 HB3 PHE 52 HB2 PHE 52 0.579 5.780 -0.830 266 HD1 PHE 52 HD1 PHE 52 1.529 5.940 -3.083 267 HD2 PHE 52 HD2 PHE 52 -0.506 9.213 -1.277 268 HE1 PHE 52 HE1 PHE 52 2.511 7.464 -4.747 269 HE2 PHE 52 HE2 PHE 52 0.471 10.742 -2.939 270 HZ PHE 52 HZ PHE 52 1.981 9.868 -4.678 271 H CYS 53 H CYS 53 -2.955 7.394 -0.175 272 HA CYS 53 HA CYS 53 -4.567 8.317 -2.385 273 HB2 CYS 53 HB1 CYS 53 -4.593 8.688 0.588 274 HB3 CYS 53 HB2 CYS 53 -5.503 9.810 -0.425 275 H LEU 54 H LEU 54 -3.243 9.533 -3.706 276 HA LEU 54 HA LEU 54 -1.541 11.599 -2.722 277 HB2 LEU 54 HB1 LEU 54 -1.140 10.406 -4.841 278 HB3 LEU 54 HB2 LEU 54 -2.605 11.149 -5.506 279 HG LEU 54 HG LEU 54 -0.938 13.245 -4.580 280 HD11 LEU 54 HD11 LEU 54 0.923 12.680 -6.347 281 HD12 LEU 54 HD12 LEU 54 0.504 11.019 -5.930 282 HD13 LEU 54 HD13 LEU 54 1.057 12.129 -4.676 283 HD21 LEU 54 HD21 LEU 54 -1.280 14.088 -6.695 284 HD22 LEU 54 HD22 LEU 54 -2.644 12.982 -6.535 285 HD23 LEU 54 HD23 LEU 54 -1.219 12.499 -7.456 286 H GLN 55 H GLN 55 -2.003 13.647 -2.242 287 HA GLN 55 HA GLN 55 -4.585 14.742 -3.143 288 HB2 GLN 55 HB1 GLN 55 -4.554 16.072 -0.985 289 HB3 GLN 55 HB2 GLN 55 -4.858 14.334 -0.826 290 HG2 GLN 55 HG1 GLN 55 -2.026 14.992 -0.650 291 HG3 GLN 55 HG2 GLN 55 -3.005 15.798 0.584 292 HE21 GLN 55 HE21 GLN 55 -1.029 13.577 0.714 293 HE22 GLN 55 HE22 GLN 55 -1.847 12.299 1.539 294 HA PRO 56 HA PRO 56 -1.334 17.526 -4.773 295 HB2 PRO 56 HB1 PRO 56 -2.754 18.221 -7.009 296 HB3 PRO 56 HB2 PRO 56 -1.773 16.760 -6.894 297 HG2 PRO 56 HG1 PRO 56 -4.727 17.103 -6.507 298 HG3 PRO 56 HG2 PRO 56 -3.839 15.837 -7.432 299 HD2 PRO 56 HD1 PRO 56 -4.853 15.399 -4.953 300 HD3 PRO 56 HD2 PRO 56 -3.355 14.640 -5.522 301 H ARG 57 H ARG 57 -1.258 19.778 -4.847 302 HA ARG 57 HA ARG 57 -3.359 21.113 -3.379 303 HB2 ARG 57 HB1 ARG 57 -0.558 21.674 -4.128 304 HB3 ARG 57 HB2 ARG 57 -1.613 23.092 -4.035 305 HG2 ARG 57 HG1 ARG 57 -2.300 22.279 -1.734 306 HG3 ARG 57 HG2 ARG 57 -0.952 21.135 -1.857 307 HD2 ARG 57 HD1 ARG 57 0.194 23.545 -2.598 308 HD3 ARG 57 HD2 ARG 57 -0.925 23.991 -1.303 309 HE ARG 57 HE ARG 57 1.496 22.463 -1.047 310 HH11 ARG 57 HH11 ARG 57 -1.611 23.164 0.359 311 HH12 ARG 57 HH12 ARG 57 -1.135 22.702 1.960 312 HH21 ARG 57 HH21 ARG 57 2.134 21.853 1.056 313 HH22 ARG 57 HH22 ARG 57 0.995 21.958 2.355 314 H ASP 58 H ASP 58 -2.191 20.941 -6.659 315 HA ASP 58 HA ASP 58 -3.803 23.196 -7.525 316 HB2 ASP 58 HB1 ASP 58 -1.461 22.109 -8.451 317 HB3 ASP 58 HB2 ASP 58 -2.644 21.456 -9.592 318 HD2 ASP 58 HD ASP 58 -3.445 24.718 -10.722 319 H GLU 59 H GLU 59 -4.047 19.766 -7.287 320 HA GLU 59 HA GLU 59 -6.584 19.858 -8.785 321 HB2 GLU 59 HB1 GLU 59 -4.295 18.109 -9.075 322 HB3 GLU 59 HB2 GLU 59 -5.755 17.183 -8.695 323 HG2 GLU 59 HG1 GLU 59 -6.620 17.484 -10.725 324 HG3 GLU 59 HG2 GLU 59 -6.225 19.208 -10.719 325 HE2 GLU 59 HE GLU 59 -3.082 18.561 -12.213 326 H LYS 60 H LYS 60 -7.854 17.682 -8.137 327 HA LYS 60 HA LYS 60 -8.368 17.989 -5.297 328 HB2 LYS 60 HB1 LYS 60 -9.804 16.818 -7.628 329 HB3 LYS 60 HB2 LYS 60 -10.171 16.154 -6.027 330 HG2 LYS 60 HG1 LYS 60 -11.412 17.912 -5.468 331 HG3 LYS 60 HG2 LYS 60 -10.165 19.048 -6.011 332 HD2 LYS 60 HD1 LYS 60 -10.982 19.110 -8.199 333 HD3 LYS 60 HD2 LYS 60 -11.878 17.595 -7.996 334 HE2 LYS 60 HE1 LYS 60 -13.595 18.606 -6.789 335 HE3 LYS 60 HE2 LYS 60 -12.582 19.985 -6.339 336 HZ1 LYS 60 HZ1 LYS 60 -14.406 20.032 -8.294 337 HZ2 LYS 60 HZ2 LYS 60 -13.012 19.673 -9.183 338 HZ3 LYS 60 HZ3 LYS 60 -13.069 21.066 -8.225 339 HA PRO 61 HA PRO 61 -6.433 14.323 -3.861 340 HB2 PRO 61 HB1 PRO 61 -8.231 13.383 -2.021 341 HB3 PRO 61 HB2 PRO 61 -7.245 14.823 -1.770 342 HG2 PRO 61 HG1 PRO 61 -10.083 14.602 -2.718 343 HG3 PRO 61 HG2 PRO 61 -9.373 15.718 -1.493 344 HD2 PRO 61 HD1 PRO 61 -9.926 16.493 -4.037 345 HD3 PRO 61 HD2 PRO 61 -8.554 17.137 -3.115 346 H PHE 62 H PHE 62 -6.213 12.261 -4.513 347 HA PHE 62 HA PHE 62 -8.403 10.498 -4.959 348 HB2 PHE 62 HB1 PHE 62 -8.338 10.257 -7.325 349 HB3 PHE 62 HB2 PHE 62 -8.487 11.985 -7.001 350 HD1 PHE 62 HD1 PHE 62 -6.802 9.632 -8.923 351 HD2 PHE 62 HD2 PHE 62 -6.147 13.244 -6.767 352 HE1 PHE 62 HE1 PHE 62 -4.804 10.081 -10.286 353 HE2 PHE 62 HE2 PHE 62 -4.149 13.698 -8.128 354 HZ PHE 62 HZ PHE 62 -3.476 12.116 -9.891 355 H CYS 63 H CYS 63 -7.679 8.375 -5.794 356 HA CYS 63 HA CYS 63 -5.181 7.653 -4.587 357 HB2 CYS 63 HB1 CYS 63 -7.504 6.254 -5.767 358 HB3 CYS 63 HB2 CYS 63 -5.962 5.405 -5.909 359 H ALA 64 H ALA 64 -3.254 7.352 -5.518 360 HA ALA 64 HA ALA 64 -3.108 7.165 -8.447 361 HB1 ALA 64 HB1 ALA 64 -1.157 8.688 -8.428 362 HB2 ALA 64 HB2 ALA 64 -2.656 9.475 -7.931 363 HB3 ALA 64 HB3 ALA 64 -1.461 9.009 -6.721 364 H THR 65 H THR 65 -0.940 6.419 -9.196 365 HA THR 65 HA THR 65 -0.169 4.093 -7.721 366 HB THR 65 HB THR 65 1.659 4.880 -9.864 367 HG1 THR 65 HG1 THR 65 0.227 5.385 -11.332 368 HG21 THR 65 HG21 THR 65 0.109 2.517 -8.974 369 HG22 THR 65 HG22 THR 65 1.796 2.644 -9.470 370 HG23 THR 65 HG23 THR 65 0.520 2.600 -10.686 371 H CYS 66 H CYS 66 1.943 3.592 -6.945 372 HA CYS 66 HA CYS 66 3.119 5.659 -5.414 373 HB2 CYS 66 HB1 CYS 66 4.667 4.023 -4.642 374 HB3 CYS 66 HB2 CYS 66 3.117 3.205 -4.843 375 H ARG 67 H ARG 67 5.635 5.886 -5.473 376 HA ARG 67 HA ARG 67 6.288 6.827 -8.160 377 HB2 ARG 67 HB1 ARG 67 7.424 7.378 -5.423 378 HB3 ARG 67 HB2 ARG 67 8.265 7.877 -6.899 379 HG2 ARG 67 HG1 ARG 67 5.473 8.716 -6.105 380 HG3 ARG 67 HG2 ARG 67 6.942 9.695 -5.943 381 HD2 ARG 67 HD1 ARG 67 6.590 10.464 -8.006 382 HD3 ARG 67 HD2 ARG 67 6.925 8.832 -8.600 383 HE ARG 67 HE ARG 67 4.208 9.219 -7.733 384 HH11 ARG 67 HH11 ARG 67 6.448 9.485 -10.386 385 HH12 ARG 67 HH12 ARG 67 5.218 9.398 -11.603 386 HH21 ARG 67 HH21 ARG 67 2.580 9.103 -9.327 387 HH22 ARG 67 HH22 ARG 67 3.018 9.180 -11.000 388 H GLY 68 H GLY 68 7.804 5.924 -9.422 389 HA2 GLY 68 HA2 GLY 68 8.854 3.371 -8.801 390 HA3 GLY 68 HA3 GLY 68 9.305 4.361 -10.180 391 HA1 GLY 68 HA1 GLY 68 8.920 3.942 -8.134 392 H LEU 69 H LEU 69 11.252 2.891 -9.109 393 HA LEU 69 HA LEU 69 12.681 4.006 -6.968 394 HB2 LEU 69 HB1 LEU 69 13.647 2.420 -9.354 395 HB3 LEU 69 HB2 LEU 69 14.632 2.799 -7.929 396 HG LEU 69 HG LEU 69 12.186 1.038 -8.029 397 HD11 LEU 69 HD11 LEU 69 14.951 0.292 -7.144 398 HD12 LEU 69 HD12 LEU 69 14.473 0.215 -8.839 399 HD13 LEU 69 HD13 LEU 69 13.621 -0.757 -7.640 400 HD21 LEU 69 HD21 LEU 69 13.214 0.682 -5.558 401 HD22 LEU 69 HD22 LEU 69 11.878 1.773 -5.923 402 HD23 LEU 69 HD23 LEU 69 13.520 2.404 -5.789 403 H ARG 70 H ARG 70 12.358 4.987 -10.258 404 HA ARG 70 HA ARG 70 14.650 6.798 -10.057 405 HB2 ARG 70 HB1 ARG 70 12.888 5.970 -12.367 406 HB3 ARG 70 HB2 ARG 70 14.088 7.266 -12.487 407 HG2 ARG 70 HG1 ARG 70 15.519 5.157 -11.403 408 HG3 ARG 70 HG2 ARG 70 14.448 4.395 -12.592 409 HD2 ARG 70 HD1 ARG 70 15.211 6.209 -14.223 410 HD3 ARG 70 HD2 ARG 70 16.474 6.570 -13.037 411 HE ARG 70 HE ARG 70 17.579 4.667 -13.673 412 HH11 ARG 70 HH11 ARG 70 14.315 4.556 -14.877 413 HH12 ARG 70 HH12 ARG 70 14.582 3.147 -15.849 414 HH21 ARG 70 HH21 ARG 70 17.944 2.811 -14.949 415 HH22 ARG 70 HH22 ARG 70 16.646 2.155 -15.889 416 H ARG 71 H ARG 71 11.762 6.955 -8.862 417 HA ARG 71 HA ARG 71 11.133 9.659 -9.838 418 HB2 ARG 71 HB1 ARG 71 9.461 7.485 -8.607 419 HB3 ARG 71 HB2 ARG 71 8.928 9.172 -8.550 420 HG2 ARG 71 HG1 ARG 71 9.564 7.631 -11.068 421 HG3 ARG 71 HG2 ARG 71 7.943 7.950 -10.430 422 HD2 ARG 71 HD1 ARG 71 7.925 9.848 -11.602 423 HD3 ARG 71 HD2 ARG 71 9.184 10.445 -10.510 424 HE ARG 71 HE ARG 71 10.277 8.864 -12.613 425 HH11 ARG 71 HH11 ARG 71 9.031 12.022 -11.846 426 HH12 ARG 71 HH12 ARG 71 9.941 12.825 -13.083 427 HH21 ARG 71 HH21 ARG 71 11.481 9.909 -14.245 428 HH22 ARG 71 HH22 ARG 71 11.333 11.621 -14.447 429 H ARG 72 H ARG 72 10.589 11.297 -8.308 430 HA ARG 72 HA ARG 72 12.231 11.197 -5.948 431 HB2 ARG 72 HB1 ARG 72 10.344 13.341 -6.957 432 HB3 ARG 72 HB2 ARG 72 11.488 13.529 -5.620 433 HG2 ARG 72 HG1 ARG 72 12.678 12.602 -8.148 434 HG3 ARG 72 HG2 ARG 72 11.999 14.237 -8.176 435 HD2 ARG 72 HD1 ARG 72 13.302 14.619 -5.990 436 HD3 ARG 72 HD2 ARG 72 14.180 13.145 -6.426 437 HE ARG 72 HE ARG 72 15.324 14.344 -7.996 438 HH11 ARG 72 HH11 ARG 72 12.443 16.095 -7.127 439 HH12 ARG 72 HH12 ARG 72 12.863 17.500 -8.050 440 HH21 ARG 72 HH21 ARG 72 15.888 16.188 -9.213 441 HH22 ARG 72 HH22 ARG 72 14.822 17.552 -9.236 442 H CYS 73 H CYS 73 11.491 11.611 -3.795 443 HA CYS 73 HA CYS 73 8.670 11.344 -3.211 444 HB2 CYS 73 HB1 CYS 73 8.813 9.333 -1.919 445 HB3 CYS 73 HB2 CYS 73 9.477 8.994 -3.519 446 H GLN 74 H GLN 74 8.125 12.148 -1.221 447 HA GLN 74 HA GLN 74 10.311 13.406 0.274 448 HB2 GLN 74 HB1 GLN 74 7.947 14.445 -0.650 449 HB3 GLN 74 HB2 GLN 74 7.559 14.083 1.039 450 HG2 GLN 74 HG1 GLN 74 9.459 15.414 1.789 451 HG3 GLN 74 HG2 GLN 74 9.876 15.763 0.104 452 HE21 GLN 74 HE21 GLN 74 9.638 17.961 0.299 453 HE22 GLN 74 HE22 GLN 74 8.103 18.726 0.508 454 H ARG 75 H ARG 75 7.823 11.012 0.517 455 HA ARG 75 HA ARG 75 8.715 10.416 3.251 456 HB2 ARG 75 HB1 ARG 75 6.382 11.630 2.947 457 HB3 ARG 75 HB2 ARG 75 5.843 9.990 2.556 458 HG2 ARG 75 HG1 ARG 75 6.980 9.299 4.761 459 HG3 ARG 75 HG2 ARG 75 6.954 11.031 5.132 460 HD2 ARG 75 HD1 ARG 75 4.383 10.202 4.127 461 HD3 ARG 75 HD2 ARG 75 4.879 9.172 5.476 462 HE ARG 75 HE ARG 75 4.641 10.956 6.900 463 HH11 ARG 75 HH11 ARG 75 4.593 12.082 3.607 464 HH12 ARG 75 HH12 ARG 75 4.110 13.691 4.026 465 HH21 ARG 75 HH21 ARG 75 4.003 13.072 7.466 466 HH22 ARG 75 HH22 ARG 75 3.776 14.254 6.222 467 H ASP 76 H ASP 76 8.687 8.236 3.827 468 HA ASP 76 HA ASP 76 9.046 6.407 1.672 469 HB2 ASP 76 HB1 ASP 76 8.687 5.546 4.531 470 HB3 ASP 76 HB2 ASP 76 9.736 4.858 3.283 471 HD2 ASP 76 HD ASP 76 11.045 8.048 5.247 472 H ALA 77 H ALA 77 6.354 7.357 3.577 473 HA ALA 77 HA ALA 77 4.791 5.008 3.401 474 HB1 ALA 77 HB1 ALA 77 2.881 6.790 3.657 475 HB2 ALA 77 HB2 ALA 77 3.980 6.444 4.993 476 HB3 ALA 77 HB3 ALA 77 4.232 7.873 3.991 477 H MET 78 H MET 78 4.971 7.912 1.366 478 HA MET 78 HA MET 78 2.946 7.069 -0.445 479 HB2 MET 78 HB1 MET 78 3.694 8.908 -1.858 480 HB3 MET 78 HB2 MET 78 3.571 9.430 -0.172 481 HG2 MET 78 HG1 MET 78 5.858 9.613 0.098 482 HG3 MET 78 HG2 MET 78 6.195 8.486 -1.219 483 HE1 MET 78 HE1 MET 78 5.098 10.577 -4.312 484 HE2 MET 78 HE2 MET 78 6.481 9.529 -3.996 485 HE3 MET 78 HE3 MET 78 4.866 9.036 -3.484 486 H CYS 79 H CYS 79 6.303 6.366 -0.109 487 HA CYS 79 HA CYS 79 6.704 5.514 -2.828 488 HB2 CYS 79 HB1 CYS 79 8.486 6.389 -1.207 489 HB3 CYS 79 HB2 CYS 79 8.434 4.788 -0.469 490 H CYS 80 H CYS 80 6.730 3.450 -3.631 491 HA CYS 80 HA CYS 80 4.966 1.570 -2.650 492 HB2 CYS 80 HB1 CYS 80 7.048 1.652 -4.712 493 HB3 CYS 80 HB2 CYS 80 6.773 0.036 -4.061 494 HA PRO 81 HA PRO 81 6.929 -0.679 0.565 495 HB2 PRO 81 HB1 PRO 81 6.143 -3.252 0.053 496 HB3 PRO 81 HB2 PRO 81 5.054 -2.003 0.657 497 HG2 PRO 81 HG1 PRO 81 5.481 -2.961 -2.154 498 HG3 PRO 81 HG2 PRO 81 3.936 -2.634 -1.282 499 HD2 PRO 81 HD1 PRO 81 5.005 -0.893 -3.069 500 HD3 PRO 81 HD2 PRO 81 4.100 -0.364 -1.641 501 H GLY 82 H GLY 82 8.610 -2.179 1.095 502 HA2 GLY 82 HA2 GLY 82 10.536 -3.392 0.732 503 HA3 GLY 82 HA3 GLY 82 10.001 -3.649 -0.922 504 HA1 GLY 82 HA1 GLY 82 10.410 -2.526 0.835 505 H THR 83 H THR 83 10.365 -0.461 0.464 506 HA THR 83 HA THR 83 12.991 -0.060 -0.672 507 HB THR 83 HB THR 83 11.892 2.046 -1.915 508 HG1 THR 83 HG1 THR 83 9.935 -0.023 -2.087 509 HG21 THR 83 HG21 THR 83 11.602 -0.077 -3.766 510 HG22 THR 83 HG22 THR 83 12.923 -0.506 -2.678 511 HG23 THR 83 HG23 THR 83 12.972 1.015 -3.567 512 H LEU 84 H LEU 84 13.567 2.379 -0.499 513 HA LEU 84 HA LEU 84 12.272 3.580 1.846 514 HB2 LEU 84 HB1 LEU 84 14.807 2.341 1.844 515 HB3 LEU 84 HB2 LEU 84 15.094 4.089 1.891 516 HG LEU 84 HG LEU 84 13.208 3.840 3.821 517 HD11 LEU 84 HD11 LEU 84 14.583 1.222 3.543 518 HD12 LEU 84 HD12 LEU 84 12.939 1.589 4.062 519 HD13 LEU 84 HD13 LEU 84 14.289 1.845 5.167 520 HD21 LEU 84 HD21 LEU 84 14.968 4.198 5.373 521 HD22 LEU 84 HD22 LEU 84 15.452 4.972 3.863 522 HD23 LEU 84 HD23 LEU 84 16.146 3.415 4.319 523 H CYS 85 H CYS 85 12.867 5.880 2.143 524 HA CYS 85 HA CYS 85 13.166 7.176 -0.474 525 HB2 CYS 85 HB1 CYS 85 11.681 7.819 2.018 526 HB3 CYS 85 HB2 CYS 85 12.350 9.186 1.126 527 H VAL 86 H VAL 86 15.192 7.772 -0.883 528 HA VAL 86 HA VAL 86 16.680 9.175 1.235 529 HB VAL 86 HB VAL 86 17.951 7.317 -0.778 530 HG11 VAL 86 HG11 VAL 86 19.693 7.627 1.299 531 HG12 VAL 86 HG12 VAL 86 19.747 8.537 -0.213 532 HG13 VAL 86 HG13 VAL 86 18.953 9.225 1.205 533 HG21 VAL 86 HG21 VAL 86 18.273 5.752 1.056 534 HG22 VAL 86 HG22 VAL 86 17.408 6.829 2.151 535 HG23 VAL 86 HG23 VAL 86 16.555 6.066 0.808 536 H ASN 87 H ASN 87 17.741 10.999 0.627 537 HA ASN 87 HA ASN 87 18.209 12.850 -0.612 538 HB2 ASN 87 HB1 ASN 87 19.591 10.822 -1.703 539 HB3 ASN 87 HB2 ASN 87 18.590 11.258 -3.094 540 HD21 ASN 87 HD21 ASN 87 21.398 11.512 -2.958 541 HD22 ASN 87 HD22 ASN 87 21.785 13.190 -3.097 542 H ASP 88 H ASP 88 15.457 12.021 -0.488 543 HA ASP 88 HA ASP 88 13.439 12.615 -1.356 544 HB2 ASP 88 HB1 ASP 88 14.981 14.741 -1.834 545 HB3 ASP 88 HB2 ASP 88 14.672 14.263 -3.509 546 HD2 ASP 88 HD ASP 88 11.899 16.215 -1.686 547 H VAL 89 H VAL 89 14.974 10.343 -2.431 548 HA VAL 89 HA VAL 89 13.429 9.997 -4.895 549 HB VAL 89 HB VAL 89 16.357 9.285 -4.665 550 HG11 VAL 89 HG11 VAL 89 16.091 8.743 -7.098 551 HG12 VAL 89 HG12 VAL 89 15.249 7.647 -5.999 552 HG13 VAL 89 HG13 VAL 89 14.348 8.887 -6.874 553 HG21 VAL 89 HG21 VAL 89 16.799 11.014 -6.237 554 HG22 VAL 89 HG22 VAL 89 15.080 11.312 -6.492 555 HG23 VAL 89 HG23 VAL 89 15.827 11.726 -4.949 556 H CYS 90 H CYS 90 12.655 7.954 -5.219 557 HA CYS 90 HA CYS 90 12.580 6.208 -2.971 558 HB2 CYS 90 HB1 CYS 90 11.444 6.206 -5.734 559 HB3 CYS 90 HB2 CYS 90 11.488 4.677 -4.852 560 H THR 91 H THR 91 14.235 4.971 -2.396 561 HA THR 91 HA THR 91 15.799 3.646 -4.515 562 HB THR 91 HB THR 91 17.095 5.304 -3.175 563 HG1 THR 91 HG1 THR 91 18.802 3.759 -2.686 564 HG21 THR 91 HG21 THR 91 15.963 5.031 -1.031 565 HG22 THR 91 HG22 THR 91 17.692 4.722 -0.860 566 HG23 THR 91 HG23 THR 91 16.555 3.374 -0.915 567 H THR 92 H THR 92 16.904 1.602 -3.679 568 HA THR 92 HA THR 92 14.851 -0.045 -2.415 569 HB THR 92 HB THR 92 16.630 -1.885 -3.064 570 HG1 THR 92 HG1 THR 92 18.298 -0.746 -3.860 571 HG21 THR 92 HG21 THR 92 15.118 -0.533 -5.287 572 HG22 THR 92 HG22 THR 92 14.311 -1.455 -4.019 573 HG23 THR 92 HG23 THR 92 15.465 -2.249 -5.087 574 H MET 93 H MET 93 15.302 -1.462 -0.679 575 HA MET 93 HA MET 93 16.734 -0.386 1.440 576 HB2 MET 93 HB1 MET 93 15.070 -2.599 1.017 577 HB3 MET 93 HB2 MET 93 16.585 -3.269 1.641 578 HG2 MET 93 HG1 MET 93 16.458 -1.987 3.632 579 HG3 MET 93 HG2 MET 93 15.151 -0.997 2.978 580 HE1 MET 93 HE1 MET 93 13.817 -1.368 5.230 581 HE2 MET 93 HE2 MET 93 12.807 -1.313 3.786 582 HE3 MET 93 HE3 MET 93 12.483 -2.506 5.044 583 H GLU 94 H GLU 94 17.740 -2.670 -1.033 584 HA GLU 94 HA GLU 94 20.175 -3.454 0.165 585 HB2 GLU 94 HB1 GLU 94 19.308 -3.388 -2.734 586 HB3 GLU 94 HB2 GLU 94 20.813 -4.127 -2.167 587 HG2 GLU 94 HG1 GLU 94 18.719 -5.181 -0.582 588 HG3 GLU 94 HG2 GLU 94 18.201 -5.246 -2.272 589 HE2 GLU 94 HE GLU 94 21.073 -7.656 -1.080 590 H ASP 95 H ASP 95 19.250 -0.706 -1.781 591 HA ASP 95 HA ASP 95 21.959 0.153 -2.261 592 HB2 ASP 95 HB1 ASP 95 19.233 1.117 -2.949 593 HB3 ASP 95 HB2 ASP 95 20.502 2.344 -2.846 594 HD2 ASP 95 HD ASP 95 21.563 -0.394 -5.459 595 H ALA 96 H ALA 96 19.350 0.971 -0.040 596 HA ALA 96 HA ALA 96 20.859 3.125 1.170 597 HB1 ALA 96 HB1 ALA 96 18.149 1.941 1.627 598 HB2 ALA 96 HB2 ALA 96 18.867 3.024 2.819 599 HB3 ALA 96 HB3 ALA 96 18.589 3.587 1.172 600 H THR 97 H THR 97 22.371 2.804 2.650 601 HA THR 97 HA THR 97 22.471 0.264 4.089 602 HB THR 97 HB THR 97 24.726 0.944 4.780 603 HG1 THR 97 HG1 THR 97 24.738 3.118 4.895 604 HG21 THR 97 HG21 THR 97 25.611 0.248 2.836 605 HG22 THR 97 HG22 THR 97 24.926 1.600 1.935 606 HG23 THR 97 HG23 THR 97 23.943 0.175 2.270 607 H GLU 98 H GLU 98 20.726 0.664 5.536 608 HA GLU 98 HA GLU 98 21.542 1.888 7.981 609 HB2 GLU 98 HB1 GLU 98 20.672 3.791 6.428 610 HB3 GLU 98 HB2 GLU 98 19.075 3.128 6.808 611 HG2 GLU 98 HG1 GLU 98 19.558 3.425 9.220 612 HG3 GLU 98 HG2 GLU 98 21.086 4.198 8.773 613 HE2 GLU 98 HE GLU 98 19.111 7.054 9.017 614 H ASN 99 H ASN 99 20.135 1.407 9.729 615 HA ASN 99 HA ASN 99 17.634 0.144 9.445 616 HB2 ASN 99 HB1 ASN 99 19.446 -1.587 8.595 617 HB3 ASN 99 HB2 ASN 99 19.662 -1.865 10.327 618 HD21 ASN 99 HD21 ASN 99 18.913 -4.023 9.836 619 HD22 ASN 99 HD22 ASN 99 17.216 -4.333 9.756 620 H LEU 100 H LEU 100 17.079 -1.093 11.577 621 HA LEU 100 HA LEU 100 18.471 0.111 13.861 622 HB2 LEU 100 HB1 LEU 100 15.973 0.972 12.886 623 HB3 LEU 100 HB2 LEU 100 15.643 0.030 14.351 624 HG LEU 100 HG LEU 100 17.451 1.537 15.438 625 HD11 LEU 100 HD11 LEU 100 17.047 3.887 14.208 626 HD12 LEU 100 HD12 LEU 100 17.032 2.810 12.812 627 HD13 LEU 100 HD13 LEU 100 18.432 2.845 13.883 628 HD21 LEU 100 HD21 LEU 100 14.762 1.548 15.475 629 HD22 LEU 100 HD22 LEU 100 15.065 3.161 14.830 630 HD23 LEU 100 HD23 LEU 100 15.755 2.688 16.384 631 H TYR 101 H TYR 101 18.266 -2.606 12.654 632 HA TYR 101 HA TYR 101 17.520 -4.003 15.117 633 HB2 TYR 101 HB1 TYR 101 16.631 -4.822 12.338 634 HB3 TYR 101 HB2 TYR 101 16.433 -5.803 13.793 635 HD1 TYR 101 HD1 TYR 101 15.163 -2.953 11.920 636 HD2 TYR 101 HD2 TYR 101 14.859 -5.128 15.564 637 HE1 TYR 101 HE1 TYR 101 13.013 -1.856 12.389 638 HE2 TYR 101 HE2 TYR 101 12.706 -4.038 16.042 639 HH TYR 101 HH TYR 101 11.052 -2.771 15.175 640 H PHE 102 H PHE 102 18.442 -6.178 15.256 641 HA PHE 102 HA PHE 102 21.037 -6.287 13.887 642 HB2 PHE 102 HB1 PHE 102 20.070 -7.038 16.575 643 HB3 PHE 102 HB2 PHE 102 21.193 -8.183 15.842 644 HD1 PHE 102 HD1 PHE 102 23.431 -7.895 16.232 645 HD2 PHE 102 HD2 PHE 102 20.872 -4.496 16.314 646 HE1 PHE 102 HE1 PHE 102 25.338 -6.480 16.878 647 HE2 PHE 102 HE2 PHE 102 22.774 -3.075 16.959 648 HZ PHE 102 HZ PHE 102 25.010 -4.067 17.241 649 H GLN 103 H GLN 103 18.285 -8.328 14.810 650 HA GLN 103 HA GLN 103 17.482 -10.284 13.971 651 HB2 GLN 103 HB1 GLN 103 17.670 -8.702 11.882 652 HB3 GLN 103 HB2 GLN 103 18.959 -9.821 11.410 653 HG2 GLN 103 HG1 GLN 103 17.342 -11.007 10.441 654 HG3 GLN 103 HG2 GLN 103 16.952 -11.537 12.083 655 HE21 GLN 103 HE21 GLN 103 14.857 -11.509 12.412 656 HE22 GLN 103 HE22 GLN 103 13.750 -10.303 11.861 657 H SER 104 H SER 104 19.862 -10.456 15.454 658 HA SER 104 HA SER 104 21.360 -12.570 14.059 659 HB2 SER 104 HB1 SER 104 22.431 -10.389 15.162 660 HB3 SER 104 HB2 SER 104 22.356 -11.400 16.616 661 HG SER 104 HG SER 104 23.959 -12.532 15.881 662 H LEU 105 H LEU 105 19.001 -13.460 14.894 663 HA LEU 105 HA LEU 105 19.441 -14.732 17.505 664 HB2 LEU 105 HB1 LEU 105 16.914 -14.507 15.860 665 HB3 LEU 105 HB2 LEU 105 17.050 -15.246 17.465 666 HG LEU 105 HG LEU 105 18.018 -12.537 17.537 667 HD11 LEU 105 HD11 LEU 105 15.186 -12.883 16.565 668 HD12 LEU 105 HD12 LEU 105 16.518 -12.218 15.621 669 HD13 LEU 105 HD13 LEU 105 15.948 -11.372 17.059 670 HD21 LEU 105 HD21 LEU 105 17.371 -13.621 19.530 671 HD22 LEU 105 HD22 LEU 105 15.807 -14.089 18.860 672 HD23 LEU 105 HD23 LEU 105 16.139 -12.396 19.229 673 H GLU 106 H GLU 106 20.878 -16.339 16.782 674 HA GLU 106 HA GLU 106 19.608 -18.437 15.149 675 HB2 GLU 106 HB1 GLU 106 22.292 -17.201 14.975 676 HB3 GLU 106 HB2 GLU 106 22.240 -18.963 14.813 677 HG2 GLU 106 HG1 GLU 106 20.168 -17.824 13.206 678 HG3 GLU 106 HG2 GLU 106 21.702 -17.019 12.851 679 HE2 GLU 106 HE GLU 106 23.103 -20.105 11.762 680 H HIS 107 H HIS 107 20.246 -20.625 15.645 681 HA HIS 107 HA HIS 107 20.740 -20.968 18.503 682 HB2 HIS 107 HB1 HIS 107 20.012 -23.314 18.105 683 HB3 HIS 107 HB2 HIS 107 18.795 -22.117 17.653 684 HD1 HIS 107 HD1 HIS 107 21.336 -24.408 16.041 685 HD2 HIS 107 HD2 HIS 107 17.943 -22.223 15.053 686 HE1 HIS 107 HE1 HIS 107 20.759 -25.088 13.690 687 HE2 HIS 107 HE2 HIS 107 18.685 -23.752 13.085 688 H HIS 108 H HIS 108 22.174 -22.700 19.234 689 HA HIS 108 HA HIS 108 24.490 -23.009 17.439 690 HB2 HIS 108 HB1 HIS 108 24.282 -22.548 20.398 691 HB3 HIS 108 HB2 HIS 108 25.693 -23.384 19.740 692 HD1 HIS 108 HD1 HIS 108 25.834 -20.558 21.096 693 HD2 HIS 108 HD2 HIS 108 25.692 -21.264 17.004 694 HE1 HIS 108 HE1 HIS 108 26.850 -18.521 20.026 695 HE2 HIS 108 HE2 HIS 108 26.763 -18.952 17.524 696 H HIS 109 H HIS 109 25.641 -24.991 17.491 697 HA HIS 109 HA HIS 109 24.068 -27.251 18.545 698 HB2 HIS 109 HB1 HIS 109 24.988 -28.592 16.667 699 HB3 HIS 109 HB2 HIS 109 23.974 -27.251 16.129 700 HD1 HIS 109 HD1 HIS 109 27.515 -28.436 16.103 701 HD2 HIS 109 HD2 HIS 109 25.283 -25.221 14.711 702 HE1 HIS 109 HE1 HIS 109 29.021 -27.217 14.500 703 HE2 HIS 109 HE2 HIS 109 27.659 -25.250 13.648 704 H HIS 110 H HIS 110 27.265 -25.904 18.013 705 HA HIS 110 HA HIS 110 29.286 -26.330 18.967 706 HB2 HIS 110 HB1 HIS 110 27.309 -27.134 20.987 707 HB3 HIS 110 HB2 HIS 110 28.878 -27.920 21.173 708 HD1 HIS 110 HD1 HIS 110 30.873 -25.796 20.625 709 HD2 HIS 110 HD2 HIS 110 27.347 -25.020 22.682 710 HE1 HIS 110 HE1 HIS 110 31.318 -23.712 21.960 711 HE2 HIS 110 HE2 HIS 110 29.164 -23.236 23.218 712 H HIS 111 H HIS 111 29.975 -27.613 17.220 713 HA HIS 111 HA HIS 111 29.457 -30.392 17.025 714 HB2 HIS 111 HB1 HIS 111 30.584 -28.478 15.392 715 HB3 HIS 111 HB2 HIS 111 31.970 -29.485 15.819 716 HD1 HIS 111 HD1 HIS 111 29.104 -29.372 13.579 717 HD2 HIS 111 HD2 HIS 111 31.589 -32.308 15.150 718 HE1 HIS 111 HE1 HIS 111 28.759 -31.393 12.124 719 HE2 HIS 111 HE2 HIS 111 30.277 -33.189 13.083 720 H HIS 112 H HIS 112 30.597 -32.148 17.714 721 HA HIS 112 HA HIS 112 33.133 -31.768 19.096 722 HB2 HIS 112 HB1 HIS 112 30.846 -31.755 20.587 723 HB3 HIS 112 HB2 HIS 112 31.255 -33.474 20.600 724 HD1 HIS 112 HD1 HIS 112 32.292 -30.222 22.013 725 HD2 HIS 112 HD2 HIS 112 33.753 -34.107 21.833 726 HE1 HIS 112 HE1 HIS 112 34.120 -30.333 23.736 727 HE2 HIS 112 HE2 HIS 112 35.014 -32.706 23.628 Start of MODEL 70 1 H1 MET 18 H MET 18 -41.855 51.242 15.441 2 HA MET 18 HA MET 18 -41.853 51.067 13.167 3 HB2 MET 18 HB1 MET 18 -39.138 52.392 13.173 4 HB3 MET 18 HB2 MET 18 -40.305 52.317 11.845 5 HG2 MET 18 HG1 MET 18 -41.023 54.320 12.468 6 HG3 MET 18 HG2 MET 18 -41.700 53.539 13.900 7 HE1 MET 18 HE1 MET 18 -40.386 56.386 15.897 8 HE2 MET 18 HE2 MET 18 -41.722 55.760 14.931 9 HE3 MET 18 HE3 MET 18 -41.108 54.827 16.296 10 H LEU 19 H LEU 19 -41.091 48.904 14.646 11 HA LEU 19 HA LEU 19 -38.855 47.750 13.117 12 HB2 LEU 19 HB1 LEU 19 -38.609 46.136 14.952 13 HB3 LEU 19 HB2 LEU 19 -38.394 47.813 15.482 14 HG LEU 19 HG LEU 19 -41.091 46.614 15.812 15 HD11 LEU 19 HD11 LEU 19 -38.816 45.976 17.683 16 HD12 LEU 19 HD12 LEU 19 -39.513 44.837 16.532 17 HD13 LEU 19 HD13 LEU 19 -40.502 45.483 17.841 18 HD21 LEU 19 HD21 LEU 19 -41.127 48.712 16.669 19 HD22 LEU 19 HD22 LEU 19 -39.401 48.718 17.031 20 HD23 LEU 19 HD23 LEU 19 -40.524 47.872 18.097 21 H VAL 20 H VAL 20 -41.335 47.866 11.911 22 HA VAL 20 HA VAL 20 -42.954 45.593 12.310 23 HB VAL 20 HB VAL 20 -43.787 46.045 9.993 24 HG11 VAL 20 HG11 VAL 20 -44.358 48.575 10.665 25 HG12 VAL 20 HG12 VAL 20 -45.112 47.180 11.437 26 HG13 VAL 20 HG13 VAL 20 -43.753 47.993 12.215 27 HG21 VAL 20 HG21 VAL 20 -42.563 47.205 8.551 28 HG22 VAL 20 HG22 VAL 20 -42.595 48.605 9.623 29 HG23 VAL 20 HG23 VAL 20 -41.314 47.403 9.780 30 H LEU 21 H LEU 21 -42.706 43.532 11.737 31 HA LEU 21 HA LEU 21 -40.338 42.782 10.212 32 HB2 LEU 21 HB1 LEU 21 -40.830 40.498 10.948 33 HB3 LEU 21 HB2 LEU 21 -40.722 41.634 12.304 34 HG LEU 21 HG LEU 21 -43.399 41.638 11.838 35 HD11 LEU 21 HD11 LEU 21 -44.208 39.703 11.025 36 HD12 LEU 21 HD12 LEU 21 -42.905 38.740 11.718 37 HD13 LEU 21 HD13 LEU 21 -42.643 39.624 10.215 38 HD21 LEU 21 HD21 LEU 21 -42.078 41.317 13.969 39 HD22 LEU 21 HD22 LEU 21 -42.043 39.596 13.583 40 HD23 LEU 21 HD23 LEU 21 -43.586 40.410 13.849 41 H ASP 22 H ASP 22 -40.365 41.753 8.267 42 HA ASP 22 HA ASP 22 -42.904 40.917 7.108 43 HB2 ASP 22 HB1 ASP 22 -42.182 43.443 6.590 44 HB3 ASP 22 HB2 ASP 22 -41.221 42.628 5.348 45 HD2 ASP 22 HD ASP 22 -45.158 42.181 5.014 46 H PHE 23 H PHE 23 -42.666 39.089 5.996 47 HA PHE 23 HA PHE 23 -40.108 38.486 4.719 48 HB2 PHE 23 HB1 PHE 23 -40.150 37.516 7.064 49 HB3 PHE 23 HB2 PHE 23 -41.466 36.475 6.517 50 HD1 PHE 23 HD1 PHE 23 -37.941 36.848 6.730 51 HD2 PHE 23 HD2 PHE 23 -41.033 34.974 4.485 52 HE1 PHE 23 HE1 PHE 23 -36.316 35.219 5.859 53 HE2 PHE 23 HE2 PHE 23 -39.414 33.341 3.610 54 HZ PHE 23 HZ PHE 23 -37.052 33.461 4.298 55 H ASN 24 H ASN 24 -40.951 38.539 2.686 56 HA ASN 24 HA ASN 24 -42.663 36.316 1.942 57 HB2 ASN 24 HB1 ASN 24 -44.134 38.337 2.501 58 HB3 ASN 24 HB2 ASN 24 -43.445 39.091 1.057 59 HD21 ASN 24 HD21 ASN 24 -44.964 36.050 2.067 60 HD22 ASN 24 HD22 ASN 24 -45.899 35.843 0.628 61 H ASN 25 H ASN 25 -40.261 36.080 1.228 62 HA ASN 25 HA ASN 25 -40.204 36.691 -1.610 63 HB2 ASN 25 HB1 ASN 25 -37.965 37.540 0.249 64 HB3 ASN 25 HB2 ASN 25 -37.902 37.596 -1.516 65 HD21 ASN 25 HD21 ASN 25 -38.896 39.223 -2.606 66 HD22 ASN 25 HD22 ASN 25 -39.650 40.572 -1.833 67 H ILE 26 H ILE 26 -40.553 34.371 -1.589 68 HA ILE 26 HA ILE 26 -38.008 32.931 -1.461 69 HB ILE 26 HB ILE 26 -39.185 30.946 -0.483 70 HG12 ILE 26 HG11 ILE 26 -41.304 33.009 0.168 71 HG13 ILE 26 HG12 ILE 26 -41.488 31.680 -0.989 72 HG21 ILE 26 HG21 ILE 26 -39.305 33.243 1.436 73 HG22 ILE 26 HG22 ILE 26 -38.769 31.587 1.715 74 HG23 ILE 26 HG23 ILE 26 -37.769 32.690 0.771 75 HD11 ILE 26 HD11 ILE 26 -41.533 31.626 1.965 76 HD12 ILE 26 HD12 ILE 26 -42.483 30.711 0.794 77 HD13 ILE 26 HD13 ILE 26 -40.819 30.243 1.139 78 H ARG 27 H ARG 27 -39.200 33.894 -3.754 79 HA ARG 27 HA ARG 27 -40.976 32.210 -5.074 80 HB2 ARG 27 HB1 ARG 27 -40.079 34.498 -5.792 81 HB3 ARG 27 HB2 ARG 27 -38.694 33.614 -6.451 82 HG2 ARG 27 HG1 ARG 27 -39.921 32.634 -8.130 83 HG3 ARG 27 HG2 ARG 27 -41.443 32.777 -7.235 84 HD2 ARG 27 HD1 ARG 27 -41.797 34.945 -7.878 85 HD3 ARG 27 HD2 ARG 27 -40.067 35.290 -8.004 86 HE ARG 27 HE ARG 27 -40.600 33.501 -10.022 87 HH11 ARG 27 HH11 ARG 27 -41.730 36.661 -9.095 88 HH12 ARG 27 HH12 ARG 27 -42.079 37.155 -10.718 89 HH21 ARG 27 HH21 ARG 27 -41.056 34.140 -12.163 90 HH22 ARG 27 HH22 ARG 27 -41.697 35.720 -12.462 91 H SER 28 H SER 28 -37.468 32.008 -4.752 92 HA SER 28 HA SER 28 -35.984 30.337 -5.172 93 HB2 SER 28 HB1 SER 28 -38.383 28.488 -5.256 94 HB3 SER 28 HB2 SER 28 -36.707 28.069 -4.863 95 HG SER 28 HG SER 28 -37.749 28.275 -2.933 96 H SER 29 H SER 29 -35.904 28.154 -6.732 97 HA SER 29 HA SER 29 -37.136 28.589 -9.291 98 HB2 SER 29 HB1 SER 29 -34.483 29.690 -8.721 99 HB3 SER 29 HB2 SER 29 -34.490 28.595 -10.114 100 HG SER 29 HG SER 29 -35.186 31.063 -10.173 101 H ALA 30 H ALA 30 -34.403 27.042 -7.623 102 HA ALA 30 HA ALA 30 -35.339 24.426 -8.090 103 HB1 ALA 30 HB1 ALA 30 -33.587 25.585 -10.157 104 HB2 ALA 30 HB2 ALA 30 -33.158 23.967 -9.600 105 HB3 ALA 30 HB3 ALA 30 -34.762 24.274 -10.265 106 H ASP 31 H ASP 31 -34.566 23.320 -6.426 107 HA ASP 31 HA ASP 31 -31.879 23.989 -5.416 108 HB2 ASP 31 HB1 ASP 31 -34.441 23.874 -4.062 109 HB3 ASP 31 HB2 ASP 31 -33.284 22.751 -3.332 110 HD2 ASP 31 HD ASP 31 -32.427 26.626 -3.140 111 H LEU 32 H LEU 32 -30.471 22.414 -5.763 112 HA LEU 32 HA LEU 32 -31.440 19.631 -5.743 113 HB2 LEU 32 HB1 LEU 32 -29.722 21.111 -7.601 114 HB3 LEU 32 HB2 LEU 32 -29.046 19.558 -7.078 115 HG LEU 32 HG LEU 32 -31.566 18.811 -7.752 116 HD11 LEU 32 HD11 LEU 32 -31.976 19.880 -9.981 117 HD12 LEU 32 HD12 LEU 32 -30.798 21.113 -9.532 118 HD13 LEU 32 HD13 LEU 32 -32.274 20.921 -8.588 119 HD21 LEU 32 HD21 LEU 32 -30.539 18.042 -9.887 120 HD22 LEU 32 HD22 LEU 32 -29.594 17.648 -8.451 121 HD23 LEU 32 HD23 LEU 32 -29.108 18.992 -9.486 122 H HIS 33 H HIS 33 -28.461 21.538 -5.267 123 HA HIS 33 HA HIS 33 -27.978 20.533 -2.677 124 HB2 HIS 33 HB1 HIS 33 -27.286 18.726 -4.694 125 HB3 HIS 33 HB2 HIS 33 -25.757 19.475 -4.221 126 HD1 HIS 33 HD1 HIS 33 -26.012 19.740 -1.240 127 HD2 HIS 33 HD2 HIS 33 -27.315 16.384 -3.315 128 HE1 HIS 33 HE1 HIS 33 -26.053 17.877 0.451 129 HE2 HIS 33 HE2 HIS 33 -26.847 15.826 -0.817 130 H GLY 34 H GLY 34 -26.402 21.688 -5.645 131 HA2 GLY 34 HA2 GLY 34 -25.636 24.094 -5.358 132 HA3 GLY 34 HA3 GLY 34 -24.753 23.474 -3.970 133 HA1 GLY 34 HA1 GLY 34 -25.665 23.389 -5.889 134 H ALA 35 H ALA 35 -22.808 22.493 -4.262 135 HA ALA 35 HA ALA 35 -21.941 21.619 -6.870 136 HB1 ALA 35 HB1 ALA 35 -20.725 24.070 -5.607 137 HB2 ALA 35 HB2 ALA 35 -19.971 23.154 -6.913 138 HB3 ALA 35 HB3 ALA 35 -21.523 23.949 -7.177 139 H ARG 36 H ARG 36 -22.123 19.905 -4.971 140 HA ARG 36 HA ARG 36 -19.419 19.629 -3.831 141 HB2 ARG 36 HB1 ARG 36 -22.002 18.582 -2.648 142 HB3 ARG 36 HB2 ARG 36 -20.385 18.443 -1.940 143 HG2 ARG 36 HG1 ARG 36 -20.995 21.204 -2.496 144 HG3 ARG 36 HG2 ARG 36 -22.261 20.462 -1.503 145 HD2 ARG 36 HD1 ARG 36 -20.319 19.527 -0.081 146 HD3 ARG 36 HD2 ARG 36 -19.334 20.738 -0.914 147 HE ARG 36 HE ARG 36 -21.674 21.918 0.173 148 HH11 ARG 36 HH11 ARG 36 -18.540 20.680 1.050 149 HH12 ARG 36 HH12 ARG 36 -18.388 21.691 2.449 150 HH21 ARG 36 HH21 ARG 36 -21.485 23.254 2.013 151 HH22 ARG 36 HH22 ARG 36 -20.064 23.153 2.996 152 H LYS 37 H LYS 37 -18.575 17.491 -3.692 153 HA LYS 37 HA LYS 37 -19.954 15.488 -5.342 154 HB2 LYS 37 HB1 LYS 37 -17.099 16.434 -5.581 155 HB3 LYS 37 HB2 LYS 37 -17.630 14.865 -6.211 156 HG2 LYS 37 HG1 LYS 37 -19.489 16.430 -7.345 157 HG3 LYS 37 HG2 LYS 37 -18.153 17.588 -7.220 158 HD2 LYS 37 HD1 LYS 37 -16.692 16.166 -8.480 159 HD3 LYS 37 HD2 LYS 37 -17.867 14.840 -8.429 160 HE2 LYS 37 HE1 LYS 37 -18.225 15.677 -10.554 161 HE3 LYS 37 HE2 LYS 37 -19.439 16.555 -9.610 162 HZ1 LYS 37 HZ1 LYS 37 -17.488 18.267 -9.376 163 HZ2 LYS 37 HZ2 LYS 37 -18.485 18.265 -10.742 164 HZ3 LYS 37 HZ3 LYS 37 -16.957 17.542 -10.809 165 H GLY 38 H GLY 38 -16.884 15.743 -3.537 166 HA2 GLY 38 HA2 GLY 38 -17.340 14.425 -1.261 167 HA3 GLY 38 HA3 GLY 38 -17.342 13.098 -2.414 168 HA1 GLY 38 HA1 GLY 38 -16.848 15.029 -1.675 169 H SER 39 H SER 39 -15.493 12.031 -2.140 170 HA SER 39 HA SER 39 -13.001 13.369 -2.688 171 HB2 SER 39 HB1 SER 39 -13.773 12.571 0.073 172 HB3 SER 39 HB2 SER 39 -12.122 12.176 -0.441 173 HG SER 39 HG SER 39 -12.974 14.489 0.414 174 H GLN 40 H GLN 40 -11.639 12.023 -3.701 175 HA GLN 40 HA GLN 40 -12.434 9.458 -4.485 176 HB2 GLN 40 HB1 GLN 40 -10.450 11.237 -5.213 177 HB3 GLN 40 HB2 GLN 40 -9.543 9.871 -4.543 178 HG2 GLN 40 HG1 GLN 40 -9.770 9.562 -6.907 179 HG3 GLN 40 HG2 GLN 40 -10.757 8.358 -6.066 180 HE21 GLN 40 HE21 GLN 40 -12.561 7.995 -7.122 181 HE22 GLN 40 HE22 GLN 40 -13.547 9.180 -7.902 182 H CYS 41 H CYS 41 -9.744 10.334 -2.308 183 HA CYS 41 HA CYS 41 -10.353 8.052 -0.620 184 HB2 CYS 41 HB1 CYS 41 -7.974 7.248 -0.712 185 HB3 CYS 41 HB2 CYS 41 -8.905 6.969 -2.184 186 H LEU 42 H LEU 42 -9.313 8.132 1.431 187 HA LEU 42 HA LEU 42 -8.448 10.842 2.147 188 HB2 LEU 42 HB1 LEU 42 -9.940 8.692 3.499 189 HB3 LEU 42 HB2 LEU 42 -8.767 9.550 4.515 190 HG LEU 42 HG LEU 42 -9.889 11.688 3.908 191 HD11 LEU 42 HD11 LEU 42 -11.569 9.804 2.338 192 HD12 LEU 42 HD12 LEU 42 -11.025 11.434 1.944 193 HD13 LEU 42 HD13 LEU 42 -12.345 11.198 3.089 194 HD21 LEU 42 HD21 LEU 42 -10.611 9.775 5.769 195 HD22 LEU 42 HD22 LEU 42 -12.140 10.228 5.016 196 HD23 LEU 42 HD23 LEU 42 -11.120 11.465 5.752 197 H SER 43 H SER 43 -7.395 7.540 2.025 198 HA SER 43 HA SER 43 -4.676 8.318 2.500 199 HB2 SER 43 HB1 SER 43 -6.281 7.097 4.658 200 HB3 SER 43 HB2 SER 43 -4.721 6.314 4.353 201 HG SER 43 HG SER 43 -5.224 8.998 5.080 202 H ASP 44 H ASP 44 -3.200 6.375 2.401 203 HA ASP 44 HA ASP 44 -3.630 4.927 0.083 204 HB2 ASP 44 HB1 ASP 44 -1.706 3.611 0.667 205 HB3 ASP 44 HB2 ASP 44 -1.426 5.268 1.222 206 HD2 ASP 44 HD ASP 44 -1.526 4.320 4.573 207 H THR 45 H THR 45 -4.582 4.208 3.361 208 HA THR 45 HA THR 45 -5.070 1.483 3.211 209 HB THR 45 HB THR 45 -7.200 2.569 4.710 210 HG1 THR 45 HG1 THR 45 -6.498 4.458 5.329 211 HG21 THR 45 HG21 THR 45 -6.272 0.806 5.779 212 HG22 THR 45 HG22 THR 45 -5.292 2.048 6.560 213 HG23 THR 45 HG23 THR 45 -4.654 1.162 5.176 214 H ASP 46 H ASP 46 -6.988 4.176 2.026 215 HA ASP 46 HA ASP 46 -9.313 2.644 1.423 216 HB2 ASP 46 HB1 ASP 46 -8.703 5.334 1.516 217 HB3 ASP 46 HB2 ASP 46 -8.899 5.035 -0.216 218 HD2 ASP 46 HD ASP 46 -12.103 5.402 1.863 219 H CYS 47 H CYS 47 -6.325 3.288 -0.219 220 HA CYS 47 HA CYS 47 -7.319 2.322 -2.772 221 HB2 CYS 47 HB1 CYS 47 -5.300 4.074 -2.030 222 HB3 CYS 47 HB2 CYS 47 -4.425 2.628 -2.535 223 H ASN 48 H ASN 48 -7.525 0.211 -3.084 224 HA ASN 48 HA ASN 48 -6.274 -1.755 -1.473 225 HB2 ASN 48 HB1 ASN 48 -7.882 -1.827 -4.017 226 HB3 ASN 48 HB2 ASN 48 -7.117 -3.296 -3.398 227 HD21 ASN 48 HD21 ASN 48 -9.608 -3.666 -3.504 228 HD22 ASN 48 HD22 ASN 48 -10.430 -3.443 -2.001 229 H THR 49 H THR 49 -5.177 -3.691 -2.766 230 HA THR 49 HA THR 49 -3.219 -4.436 -3.659 231 HB THR 49 HB THR 49 -2.870 -2.455 -5.741 232 HG1 THR 49 HG1 THR 49 -4.940 -2.000 -5.959 233 HG21 THR 49 HG21 THR 49 -2.014 -4.535 -6.244 234 HG22 THR 49 HG22 THR 49 -3.566 -4.605 -7.082 235 HG23 THR 49 HG23 THR 49 -3.373 -5.389 -5.514 236 H ARG 50 H ARG 50 -1.035 -3.374 -4.774 237 HA ARG 50 HA ARG 50 0.154 -1.944 -2.582 238 HB2 ARG 50 HB1 ARG 50 2.232 -2.079 -3.957 239 HB3 ARG 50 HB2 ARG 50 1.466 -3.646 -3.654 240 HG2 ARG 50 HG1 ARG 50 0.469 -2.491 -6.104 241 HG3 ARG 50 HG2 ARG 50 2.238 -2.595 -6.115 242 HD2 ARG 50 HD1 ARG 50 0.485 -4.917 -5.310 243 HD3 ARG 50 HD2 ARG 50 0.971 -4.617 -6.985 244 HE ARG 50 HE ARG 50 3.307 -4.599 -5.534 245 HH11 ARG 50 HH11 ARG 50 0.715 -6.851 -6.108 246 HH12 ARG 50 HH12 ARG 50 1.718 -8.252 -5.932 247 HH21 ARG 50 HH21 ARG 50 4.639 -6.436 -5.299 248 HH22 ARG 50 HH22 ARG 50 3.949 -8.015 -5.470 249 H LYS 51 H LYS 51 -1.518 -0.147 -3.068 250 HA LYS 51 HA LYS 51 -0.138 1.889 -4.673 251 HB2 LYS 51 HB1 LYS 51 -2.925 0.911 -4.949 252 HB3 LYS 51 HB2 LYS 51 -2.695 2.665 -5.029 253 HG2 LYS 51 HG1 LYS 51 -2.243 2.403 -7.188 254 HG3 LYS 51 HG2 LYS 51 -0.713 1.667 -6.678 255 HD2 LYS 51 HD1 LYS 51 -1.621 -0.535 -6.792 256 HD3 LYS 51 HD2 LYS 51 -3.265 0.098 -6.989 257 HE2 LYS 51 HE1 LYS 51 -1.251 0.949 -9.002 258 HE3 LYS 51 HE2 LYS 51 -1.773 -0.741 -9.044 259 HZ1 LYS 51 HZ1 LYS 51 -4.113 0.160 -9.031 260 HZ2 LYS 51 HZ2 LYS 51 -3.227 0.419 -10.449 261 HZ3 LYS 51 HZ3 LYS 51 -3.445 1.683 -9.345 262 H PHE 52 H PHE 52 -0.689 4.100 -4.065 263 HA PHE 52 HA PHE 52 -1.668 4.307 -1.295 264 HB2 PHE 52 HB1 PHE 52 0.007 5.931 -0.774 265 HB3 PHE 52 HB2 PHE 52 0.827 4.550 -1.504 266 HD1 PHE 52 HD1 PHE 52 0.214 8.069 -1.725 267 HD2 PHE 52 HD2 PHE 52 1.488 4.663 -3.936 268 HE1 PHE 52 HE1 PHE 52 1.251 9.546 -3.397 269 HE2 PHE 52 HE2 PHE 52 2.526 6.134 -5.612 270 HZ PHE 52 HZ PHE 52 2.410 8.580 -5.343 271 H CYS 53 H CYS 53 -2.360 6.555 -0.720 272 HA CYS 53 HA CYS 53 -3.868 7.690 -2.966 273 HB2 CYS 53 HB1 CYS 53 -5.212 6.958 -1.069 274 HB3 CYS 53 HB2 CYS 53 -4.262 7.971 0.020 275 H LEU 54 H LEU 54 -2.633 9.201 -3.932 276 HA LEU 54 HA LEU 54 -0.879 10.934 -2.466 277 HB2 LEU 54 HB1 LEU 54 -0.748 10.054 -4.935 278 HB3 LEU 54 HB2 LEU 54 -1.738 11.486 -5.271 279 HG LEU 54 HG LEU 54 0.701 11.981 -3.691 280 HD11 LEU 54 HD11 LEU 54 1.890 10.592 -5.057 281 HD12 LEU 54 HD12 LEU 54 1.900 12.059 -6.036 282 HD13 LEU 54 HD13 LEU 54 0.762 10.762 -6.402 283 HD21 LEU 54 HD21 LEU 54 -0.883 13.290 -5.855 284 HD22 LEU 54 HD22 LEU 54 0.787 13.783 -5.578 285 HD23 LEU 54 HD23 LEU 54 -0.400 13.915 -4.279 286 H GLN 55 H GLN 55 -1.210 12.980 -1.790 287 HA GLN 55 HA GLN 55 -3.763 14.264 -2.492 288 HB2 GLN 55 HB1 GLN 55 -3.713 15.223 -0.131 289 HB3 GLN 55 HB2 GLN 55 -4.127 13.509 -0.288 290 HG2 GLN 55 HG1 GLN 55 -2.175 12.787 0.663 291 HG3 GLN 55 HG2 GLN 55 -1.284 14.236 0.177 292 HE21 GLN 55 HE21 GLN 55 -2.495 16.298 1.177 293 HE22 GLN 55 HE22 GLN 55 -2.683 16.200 2.893 294 HA PRO 56 HA PRO 56 -0.392 17.173 -3.570 295 HB2 PRO 56 HB1 PRO 56 -1.736 18.280 -5.684 296 HB3 PRO 56 HB2 PRO 56 -0.802 16.789 -5.796 297 HG2 PRO 56 HG1 PRO 56 -3.754 17.161 -5.411 298 HG3 PRO 56 HG2 PRO 56 -2.881 16.039 -6.522 299 HD2 PRO 56 HD1 PRO 56 -3.966 15.222 -4.172 300 HD3 PRO 56 HD2 PRO 56 -2.479 14.524 -4.832 301 H ARG 57 H ARG 57 -0.241 19.393 -3.238 302 HA ARG 57 HA ARG 57 -2.342 20.535 -1.618 303 HB2 ARG 57 HB1 ARG 57 0.459 20.832 -1.824 304 HB3 ARG 57 HB2 ARG 57 -0.246 22.403 -2.234 305 HG2 ARG 57 HG1 ARG 57 -1.542 22.347 -0.126 306 HG3 ARG 57 HG2 ARG 57 -0.718 20.836 0.291 307 HD2 ARG 57 HD1 ARG 57 1.042 23.088 -0.477 308 HD3 ARG 57 HD2 ARG 57 0.151 23.278 1.039 309 HE ARG 57 HE ARG 57 1.297 20.741 1.063 310 HH11 ARG 57 HH11 ARG 57 2.311 24.071 1.046 311 HH12 ARG 57 HH12 ARG 57 3.784 23.764 1.907 312 HH21 ARG 57 HH21 ARG 57 3.231 20.324 2.197 313 HH22 ARG 57 HH22 ARG 57 4.305 21.631 2.561 314 H ASP 58 H ASP 58 -0.994 20.978 -4.823 315 HA ASP 58 HA ASP 58 -2.547 23.367 -5.331 316 HB2 ASP 58 HB1 ASP 58 -0.298 22.034 -6.538 317 HB3 ASP 58 HB2 ASP 58 -1.542 22.331 -7.759 318 HD2 ASP 58 HD ASP 58 0.555 25.356 -6.472 319 H GLU 59 H GLU 59 -2.883 19.959 -5.723 320 HA GLU 59 HA GLU 59 -5.349 20.394 -7.280 321 HB2 GLU 59 HB1 GLU 59 -3.139 18.893 -8.028 322 HB3 GLU 59 HB2 GLU 59 -4.282 17.687 -7.415 323 HG2 GLU 59 HG1 GLU 59 -5.969 19.055 -8.946 324 HG3 GLU 59 HG2 GLU 59 -4.464 19.438 -9.796 325 HE2 GLU 59 HE GLU 59 -6.021 15.896 -10.274 326 H LYS 60 H LYS 60 -6.691 18.160 -7.060 327 HA LYS 60 HA LYS 60 -7.333 18.021 -4.228 328 HB2 LYS 60 HB1 LYS 60 -8.736 17.558 -6.757 329 HB3 LYS 60 HB2 LYS 60 -9.087 16.334 -5.527 330 HG2 LYS 60 HG1 LYS 60 -9.643 18.187 -3.940 331 HG3 LYS 60 HG2 LYS 60 -9.484 19.307 -5.304 332 HD2 LYS 60 HD1 LYS 60 -11.287 18.261 -6.484 333 HD3 LYS 60 HD2 LYS 60 -11.349 16.938 -5.305 334 HE2 LYS 60 HE1 LYS 60 -13.029 18.159 -4.406 335 HE3 LYS 60 HE2 LYS 60 -11.691 19.047 -3.662 336 HZ1 LYS 60 HZ1 LYS 60 -13.241 20.567 -4.679 337 HZ2 LYS 60 HZ2 LYS 60 -13.093 19.790 -6.173 338 HZ3 LYS 60 HZ3 LYS 60 -11.773 20.621 -5.517 339 HA PRO 61 HA PRO 61 -5.601 14.081 -3.376 340 HB2 PRO 61 HB1 PRO 61 -7.511 12.922 -1.793 341 HB3 PRO 61 HB2 PRO 61 -6.485 14.253 -1.262 342 HG2 PRO 61 HG1 PRO 61 -9.283 14.322 -2.338 343 HG3 PRO 61 HG2 PRO 61 -8.588 15.181 -0.913 344 HD2 PRO 61 HD1 PRO 61 -9.000 16.402 -3.302 345 HD3 PRO 61 HD2 PRO 61 -7.647 16.818 -2.235 346 H PHE 62 H PHE 62 -5.424 12.163 -4.377 347 HA PHE 62 HA PHE 62 -7.747 10.729 -5.322 348 HB2 PHE 62 HB1 PHE 62 -7.197 10.713 -7.649 349 HB3 PHE 62 HB2 PHE 62 -7.242 12.399 -7.131 350 HD1 PHE 62 HD1 PHE 62 -4.927 13.381 -6.334 351 HD2 PHE 62 HD2 PHE 62 -5.394 10.030 -8.916 352 HE1 PHE 62 HE1 PHE 62 -2.650 13.733 -7.197 353 HE2 PHE 62 HE2 PHE 62 -3.117 10.377 -9.783 354 HZ PHE 62 HZ PHE 62 -1.742 12.230 -8.923 355 H CYS 63 H CYS 63 -7.079 8.651 -6.418 356 HA CYS 63 HA CYS 63 -4.938 7.462 -4.865 357 HB2 CYS 63 HB1 CYS 63 -7.335 6.535 -6.255 358 HB3 CYS 63 HB2 CYS 63 -5.941 5.493 -6.544 359 H ALA 64 H ALA 64 -2.939 7.182 -5.583 360 HA ALA 64 HA ALA 64 -2.455 7.337 -8.485 361 HB1 ALA 64 HB1 ALA 64 -0.326 8.268 -8.049 362 HB2 ALA 64 HB2 ALA 64 -1.460 9.123 -7.004 363 HB3 ALA 64 HB3 ALA 64 -0.421 7.866 -6.334 364 H THR 65 H THR 65 -0.723 6.018 -9.350 365 HA THR 65 HA THR 65 -0.827 3.336 -8.319 366 HB THR 65 HB THR 65 0.639 2.781 -10.256 367 HG1 THR 65 HG1 THR 65 1.545 4.336 -11.395 368 HG21 THR 65 HG21 THR 65 -1.195 2.620 -11.527 369 HG22 THR 65 HG22 THR 65 -1.371 4.371 -11.628 370 HG23 THR 65 HG23 THR 65 -2.035 3.496 -10.248 371 H CYS 66 H CYS 66 1.250 2.034 -8.204 372 HA CYS 66 HA CYS 66 2.849 2.985 -6.121 373 HB2 CYS 66 HB1 CYS 66 2.486 0.582 -6.744 374 HB3 CYS 66 HB2 CYS 66 3.594 0.821 -8.098 375 H ARG 67 H ARG 67 4.908 3.832 -6.019 376 HA ARG 67 HA ARG 67 5.805 5.191 -8.436 377 HB2 ARG 67 HB1 ARG 67 6.811 5.434 -5.592 378 HB3 ARG 67 HB2 ARG 67 7.237 6.489 -6.947 379 HG2 ARG 67 HG1 ARG 67 4.562 6.750 -7.012 380 HG3 ARG 67 HG2 ARG 67 4.804 6.434 -5.286 381 HD2 ARG 67 HD1 ARG 67 5.527 8.516 -4.953 382 HD3 ARG 67 HD2 ARG 67 6.781 8.294 -6.182 383 HE ARG 67 HE ARG 67 4.432 8.762 -7.557 384 HH11 ARG 67 HH11 ARG 67 6.417 10.444 -5.245 385 HH12 ARG 67 HH12 ARG 67 5.989 12.018 -5.826 386 HH21 ARG 67 HH21 ARG 67 3.860 10.831 -8.332 387 HH22 ARG 67 HH22 ARG 67 4.534 12.238 -7.582 388 H GLY 68 H GLY 68 7.818 4.935 -9.362 389 HA2 GLY 68 HA2 GLY 68 9.105 2.385 -8.810 390 HA3 GLY 68 HA3 GLY 68 9.429 3.446 -10.173 391 HA1 GLY 68 HA1 GLY 68 9.036 2.957 -8.142 392 H LEU 69 H LEU 69 11.649 2.589 -9.335 393 HA LEU 69 HA LEU 69 12.739 3.860 -7.024 394 HB2 LEU 69 HB1 LEU 69 14.033 2.469 -9.372 395 HB3 LEU 69 HB2 LEU 69 14.920 3.069 -7.959 396 HG LEU 69 HG LEU 69 12.859 0.868 -7.993 397 HD11 LEU 69 HD11 LEU 69 15.716 0.643 -7.134 398 HD12 LEU 69 HD12 LEU 69 15.270 0.502 -8.834 399 HD13 LEU 69 HD13 LEU 69 14.602 -0.623 -7.652 400 HD21 LEU 69 HD21 LEU 69 12.502 1.870 -5.932 401 HD22 LEU 69 HD22 LEU 69 14.196 2.329 -5.747 402 HD23 LEU 69 HD23 LEU 69 13.713 0.641 -5.565 403 H ARG 70 H ARG 70 12.379 4.733 -10.355 404 HA ARG 70 HA ARG 70 14.273 6.942 -10.115 405 HB2 ARG 70 HB1 ARG 70 12.583 6.098 -12.482 406 HB3 ARG 70 HB2 ARG 70 13.896 7.286 -12.496 407 HG2 ARG 70 HG1 ARG 70 15.337 5.290 -11.609 408 HG3 ARG 70 HG2 ARG 70 14.039 4.317 -12.319 409 HD2 ARG 70 HD1 ARG 70 14.405 5.855 -14.410 410 HD3 ARG 70 HD2 ARG 70 15.980 6.150 -13.660 411 HE ARG 70 HE ARG 70 15.089 3.719 -14.923 412 HH11 ARG 70 HH11 ARG 70 17.338 5.146 -12.682 413 HH12 ARG 70 HH12 ARG 70 18.508 3.879 -12.846 414 HH21 ARG 70 HH21 ARG 70 16.622 2.044 -15.149 415 HH22 ARG 70 HH22 ARG 70 18.100 2.116 -14.250 416 H ARG 71 H ARG 71 11.405 6.582 -8.914 417 HA ARG 71 HA ARG 71 10.153 9.000 -9.973 418 HB2 ARG 71 HB1 ARG 71 9.240 6.594 -8.578 419 HB3 ARG 71 HB2 ARG 71 8.531 8.084 -7.939 420 HG2 ARG 71 HG1 ARG 71 8.542 7.577 -10.891 421 HG3 ARG 71 HG2 ARG 71 7.329 6.818 -9.847 422 HD2 ARG 71 HD1 ARG 71 7.020 9.260 -8.925 423 HD3 ARG 71 HD2 ARG 71 7.750 9.706 -10.474 424 HE ARG 71 HE ARG 71 5.105 8.685 -10.047 425 HH11 ARG 71 HH11 ARG 71 7.713 8.966 -12.335 426 HH12 ARG 71 HH12 ARG 71 6.686 8.816 -13.723 427 HH21 ARG 71 HH21 ARG 71 3.742 8.485 -11.865 428 HH22 ARG 71 HH22 ARG 71 4.427 8.543 -13.453 429 H ARG 72 H ARG 72 10.368 10.908 -9.014 430 HA ARG 72 HA ARG 72 11.928 11.240 -6.668 431 HB2 ARG 72 HB1 ARG 72 10.092 13.283 -7.933 432 HB3 ARG 72 HB2 ARG 72 11.506 13.592 -6.914 433 HG2 ARG 72 HG1 ARG 72 11.632 12.272 -9.625 434 HG3 ARG 72 HG2 ARG 72 11.888 14.001 -9.332 435 HD2 ARG 72 HD1 ARG 72 13.518 12.565 -7.495 436 HD3 ARG 72 HD2 ARG 72 13.753 11.866 -9.102 437 HE ARG 72 HE ARG 72 13.947 14.511 -9.581 438 HH11 ARG 72 HH11 ARG 72 15.457 12.408 -7.253 439 HH12 ARG 72 HH12 ARG 72 16.915 13.339 -7.164 440 HH21 ARG 72 HH21 ARG 72 15.863 15.746 -9.471 441 HH22 ARG 72 HH22 ARG 72 17.144 15.238 -8.425 442 H CYS 73 H CYS 73 11.352 11.227 -4.597 443 HA CYS 73 HA CYS 73 8.503 11.562 -3.926 444 HB2 CYS 73 HB1 CYS 73 8.723 9.878 -2.182 445 HB3 CYS 73 HB2 CYS 73 9.142 9.193 -3.752 446 H GLN 74 H GLN 74 8.053 12.470 -1.864 447 HA GLN 74 HA GLN 74 10.281 14.073 -0.805 448 HB2 GLN 74 HB1 GLN 74 7.850 14.919 -1.773 449 HB3 GLN 74 HB2 GLN 74 7.573 14.877 -0.025 450 HG2 GLN 74 HG1 GLN 74 9.990 16.118 -0.138 451 HG3 GLN 74 HG2 GLN 74 9.222 16.690 -1.626 452 HE21 GLN 74 HE21 GLN 74 9.870 17.896 1.097 453 HE22 GLN 74 HE22 GLN 74 8.405 18.690 1.551 454 H ARG 75 H ARG 75 7.662 11.908 0.026 455 HA ARG 75 HA ARG 75 8.636 11.874 2.808 456 HB2 ARG 75 HB1 ARG 75 6.110 12.535 1.991 457 HB3 ARG 75 HB2 ARG 75 5.940 10.804 2.315 458 HG2 ARG 75 HG1 ARG 75 7.374 11.830 4.495 459 HG3 ARG 75 HG2 ARG 75 6.079 12.993 4.163 460 HD2 ARG 75 HD1 ARG 75 4.386 11.398 4.468 461 HD3 ARG 75 HD2 ARG 75 5.520 10.050 4.289 462 HE ARG 75 HE ARG 75 6.365 11.423 6.516 463 HH11 ARG 75 HH11 ARG 75 3.446 9.821 5.501 464 HH12 ARG 75 HH12 ARG 75 2.974 9.379 7.109 465 HH21 ARG 75 HH21 ARG 75 5.755 10.847 8.637 466 HH22 ARG 75 HH22 ARG 75 4.288 9.964 8.892 467 H ASP 76 H ASP 76 8.241 9.757 3.924 468 HA ASP 76 HA ASP 76 9.372 7.648 2.351 469 HB2 ASP 76 HB1 ASP 76 8.229 7.237 5.100 470 HB3 ASP 76 HB2 ASP 76 9.646 6.484 4.357 471 HD2 ASP 76 HD ASP 76 10.235 9.604 6.534 472 H ALA 77 H ALA 77 6.315 7.946 4.166 473 HA ALA 77 HA ALA 77 5.163 5.558 3.301 474 HB1 ALA 77 HB1 ALA 77 4.211 8.033 4.563 475 HB2 ALA 77 HB2 ALA 77 2.988 7.127 3.672 476 HB3 ALA 77 HB3 ALA 77 3.887 6.349 4.974 477 H MET 78 H MET 78 5.544 8.594 1.678 478 HA MET 78 HA MET 78 3.507 8.508 -0.203 479 HB2 MET 78 HB1 MET 78 6.290 9.633 -0.225 480 HB3 MET 78 HB2 MET 78 5.299 9.692 -1.690 481 HG2 MET 78 HG1 MET 78 4.213 10.720 0.907 482 HG3 MET 78 HG2 MET 78 5.301 11.706 -0.071 483 HE1 MET 78 HE1 MET 78 5.077 11.533 -2.599 484 HE2 MET 78 HE2 MET 78 3.559 11.461 -3.495 485 HE3 MET 78 HE3 MET 78 4.057 12.967 -2.722 486 H CYS 79 H CYS 79 6.621 6.858 -0.175 487 HA CYS 79 HA CYS 79 6.220 5.736 -2.810 488 HB2 CYS 79 HB1 CYS 79 8.389 5.866 -0.832 489 HB3 CYS 79 HB2 CYS 79 8.299 4.326 -1.691 490 H CYS 80 H CYS 80 6.715 3.250 -2.938 491 HA CYS 80 HA CYS 80 4.547 1.952 -1.561 492 HB2 CYS 80 HB1 CYS 80 6.456 1.234 -3.741 493 HB3 CYS 80 HB2 CYS 80 5.682 -0.084 -2.858 494 HA PRO 81 HA PRO 81 6.682 -0.001 1.735 495 HB2 PRO 81 HB1 PRO 81 5.526 -2.483 1.803 496 HB3 PRO 81 HB2 PRO 81 4.697 -1.010 2.299 497 HG2 PRO 81 HG1 PRO 81 4.585 -2.464 -0.321 498 HG3 PRO 81 HG2 PRO 81 3.236 -1.783 0.663 499 HD2 PRO 81 HD1 PRO 81 4.232 -0.527 -1.529 500 HD3 PRO 81 HD2 PRO 81 3.614 0.352 -0.120 501 H GLY 82 H GLY 82 8.758 -0.585 1.671 502 HA2 GLY 82 HA2 GLY 82 10.096 -2.729 1.433 503 HA3 GLY 82 HA3 GLY 82 9.564 -2.684 -0.241 504 HA1 GLY 82 HA1 GLY 82 10.112 -1.873 1.647 505 H THR 83 H THR 83 9.818 0.347 -0.099 506 HA THR 83 HA THR 83 12.746 0.439 -0.432 507 HB THR 83 HB THR 83 12.261 2.366 -2.026 508 HG1 THR 83 HG1 THR 83 9.680 1.186 -2.170 509 HG21 THR 83 HG21 THR 83 11.075 -0.166 -3.087 510 HG22 THR 83 HG22 THR 83 12.762 -0.138 -2.571 511 HG23 THR 83 HG23 THR 83 12.213 0.945 -3.850 512 H LEU 84 H LEU 84 13.540 2.819 -0.360 513 HA LEU 84 HA LEU 84 12.187 4.240 1.833 514 HB2 LEU 84 HB1 LEU 84 14.411 2.861 2.289 515 HB3 LEU 84 HB2 LEU 84 15.151 4.334 1.636 516 HG LEU 84 HG LEU 84 13.861 5.608 3.409 517 HD11 LEU 84 HD11 LEU 84 12.957 4.462 5.258 518 HD12 LEU 84 HD12 LEU 84 13.622 2.917 4.728 519 HD13 LEU 84 HD13 LEU 84 12.297 3.661 3.832 520 HD21 LEU 84 HD21 LEU 84 16.055 5.554 3.966 521 HD22 LEU 84 HD22 LEU 84 16.171 3.802 3.799 522 HD23 LEU 84 HD23 LEU 84 15.456 4.505 5.250 523 H CYS 85 H CYS 85 12.199 6.460 1.743 524 HA CYS 85 HA CYS 85 12.705 7.612 -0.850 525 HB2 CYS 85 HB1 CYS 85 10.753 8.127 0.766 526 HB3 CYS 85 HB2 CYS 85 11.911 9.160 1.605 527 H VAL 86 H VAL 86 14.793 7.950 -1.335 528 HA VAL 86 HA VAL 86 16.367 9.588 0.539 529 HB VAL 86 HB VAL 86 17.426 7.308 -1.138 530 HG11 VAL 86 HG11 VAL 86 18.860 9.181 0.744 531 HG12 VAL 86 HG12 VAL 86 19.575 7.779 -0.057 532 HG13 VAL 86 HG13 VAL 86 19.012 9.152 -1.013 533 HG21 VAL 86 HG21 VAL 86 17.926 6.238 0.996 534 HG22 VAL 86 HG22 VAL 86 17.203 7.596 1.859 535 HG23 VAL 86 HG23 VAL 86 16.198 6.560 0.846 536 H ASN 87 H ASN 87 17.589 11.208 -0.347 537 HA ASN 87 HA ASN 87 18.190 12.805 -1.848 538 HB2 ASN 87 HB1 ASN 87 18.254 10.388 -3.672 539 HB3 ASN 87 HB2 ASN 87 18.858 11.986 -4.130 540 HD21 ASN 87 HD21 ASN 87 20.555 9.903 -4.228 541 HD22 ASN 87 HD22 ASN 87 21.724 10.009 -2.960 542 H ASP 88 H ASP 88 15.372 12.299 -1.410 543 HA ASP 88 HA ASP 88 13.362 13.041 -2.176 544 HB2 ASP 88 HB1 ASP 88 14.842 14.322 -4.479 545 HB3 ASP 88 HB2 ASP 88 13.309 14.822 -3.754 546 HD2 ASP 88 HD ASP 88 16.590 16.280 -2.282 547 H VAL 89 H VAL 89 14.638 10.535 -3.176 548 HA VAL 89 HA VAL 89 12.712 10.020 -5.298 549 HB VAL 89 HB VAL 89 14.769 10.669 -6.496 550 HG11 VAL 89 HG11 VAL 89 16.713 9.094 -6.395 551 HG12 VAL 89 HG12 VAL 89 16.467 10.055 -4.936 552 HG13 VAL 89 HG13 VAL 89 15.968 8.364 -4.974 553 HG21 VAL 89 HG21 VAL 89 14.141 7.728 -6.727 554 HG22 VAL 89 HG22 VAL 89 13.206 9.031 -7.461 555 HG23 VAL 89 HG23 VAL 89 14.869 8.744 -7.971 556 H CYS 90 H CYS 90 12.153 7.836 -5.522 557 HA CYS 90 HA CYS 90 12.310 6.293 -3.162 558 HB2 CYS 90 HB1 CYS 90 10.705 6.297 -5.380 559 HB3 CYS 90 HB2 CYS 90 11.664 4.838 -5.640 560 H THR 91 H THR 91 14.123 5.382 -2.454 561 HA THR 91 HA THR 91 15.862 4.024 -4.410 562 HB THR 91 HB THR 91 16.647 5.286 -1.776 563 HG1 THR 91 HG1 THR 91 16.261 6.510 -3.942 564 HG21 THR 91 HG21 THR 91 18.352 3.890 -3.843 565 HG22 THR 91 HG22 THR 91 17.943 3.257 -2.248 566 HG23 THR 91 HG23 THR 91 18.940 4.705 -2.395 567 H THR 92 H THR 92 16.430 1.938 -4.052 568 HA THR 92 HA THR 92 14.843 0.296 -2.460 569 HB THR 92 HB THR 92 16.858 -1.357 -2.754 570 HG1 THR 92 HG1 THR 92 18.084 -0.633 -4.668 571 HG21 THR 92 HG21 THR 92 15.660 -2.148 -4.475 572 HG22 THR 92 HG22 THR 92 15.930 -0.692 -5.434 573 HG23 THR 92 HG23 THR 92 14.623 -0.739 -4.251 574 H MET 93 H MET 93 15.018 -0.552 -0.440 575 HA MET 93 HA MET 93 16.447 0.845 1.525 576 HB2 MET 93 HB1 MET 93 14.391 -0.928 1.551 577 HB3 MET 93 HB2 MET 93 15.709 -1.946 2.155 578 HG2 MET 93 HG1 MET 93 15.376 0.750 3.372 579 HG3 MET 93 HG2 MET 93 14.190 -0.498 3.765 580 HE1 MET 93 HE1 MET 93 16.218 0.837 6.095 581 HE2 MET 93 HE2 MET 93 14.764 -0.157 6.183 582 HE3 MET 93 HE3 MET 93 16.244 -0.686 6.985 583 H GLU 94 H GLU 94 17.306 -1.883 -0.445 584 HA GLU 94 HA GLU 94 19.432 -2.873 1.144 585 HB2 GLU 94 HB1 GLU 94 18.713 -3.120 -1.770 586 HB3 GLU 94 HB2 GLU 94 20.206 -3.821 -1.129 587 HG2 GLU 94 HG1 GLU 94 18.028 -4.579 0.561 588 HG3 GLU 94 HG2 GLU 94 17.620 -4.932 -1.125 589 HE2 GLU 94 HE GLU 94 20.806 -6.814 0.338 590 H ASP 95 H ASP 95 19.195 -0.350 -1.275 591 HA ASP 95 HA ASP 95 22.031 0.025 -1.514 592 HB2 ASP 95 HB1 ASP 95 19.800 0.803 -2.981 593 HB3 ASP 95 HB2 ASP 95 20.400 2.315 -2.284 594 HD2 ASP 95 HD ASP 95 22.690 0.451 -4.931 595 H ALA 96 H ALA 96 19.389 1.738 0.125 596 HA ALA 96 HA ALA 96 20.822 3.875 1.161 597 HB1 ALA 96 HB1 ALA 96 19.077 3.792 3.027 598 HB2 ALA 96 HB2 ALA 96 18.494 3.977 1.372 599 HB3 ALA 96 HB3 ALA 96 18.407 2.405 2.167 600 H THR 97 H THR 97 22.282 4.120 2.738 601 HA THR 97 HA THR 97 22.491 2.411 4.999 602 HB THR 97 HB THR 97 25.052 1.952 4.096 603 HG1 THR 97 HG1 THR 97 24.886 1.207 2.003 604 HG21 THR 97 HG21 THR 97 24.377 0.014 4.973 605 HG22 THR 97 HG22 THR 97 23.590 -0.346 3.436 606 HG23 THR 97 HG23 THR 97 22.683 0.437 4.730 607 H GLU 98 H GLU 98 23.166 3.710 6.565 608 HA GLU 98 HA GLU 98 24.113 6.293 6.204 609 HB2 GLU 98 HB1 GLU 98 24.630 4.514 8.597 610 HB3 GLU 98 HB2 GLU 98 24.656 6.283 8.572 611 HG2 GLU 98 HG1 GLU 98 22.532 6.245 9.201 612 HG3 GLU 98 HG2 GLU 98 22.149 5.623 7.589 613 HE2 GLU 98 HE GLU 98 20.887 2.849 9.154 614 H ASN 99 H ASN 99 26.118 7.250 6.213 615 HA ASN 99 HA ASN 99 28.240 5.948 5.004 616 HB2 ASN 99 HB1 ASN 99 28.005 8.486 6.590 617 HB3 ASN 99 HB2 ASN 99 29.602 7.918 6.083 618 HD21 ASN 99 HD21 ASN 99 27.028 9.790 5.223 619 HD22 ASN 99 HD22 ASN 99 27.313 9.898 3.522 620 H LEU 100 H LEU 100 30.482 5.715 5.944 621 HA LEU 100 HA LEU 100 30.283 4.133 8.387 622 HB2 LEU 100 HB1 LEU 100 32.316 4.364 6.187 623 HB3 LEU 100 HB2 LEU 100 32.724 3.595 7.731 624 HG LEU 100 HG LEU 100 30.298 2.449 6.747 625 HD11 LEU 100 HD11 LEU 100 30.743 1.773 4.613 626 HD12 LEU 100 HD12 LEU 100 32.489 1.927 4.807 627 HD13 LEU 100 HD13 LEU 100 31.497 3.368 4.586 628 HD21 LEU 100 HD21 LEU 100 33.098 1.381 7.094 629 HD22 LEU 100 HD22 LEU 100 31.662 0.393 6.821 630 HD23 LEU 100 HD23 LEU 100 31.803 1.358 8.291 631 H TYR 101 H TYR 101 32.491 4.220 9.691 632 HA TYR 101 HA TYR 101 32.698 6.969 10.622 633 HB2 TYR 101 HB1 TYR 101 33.816 4.392 11.757 634 HB3 TYR 101 HB2 TYR 101 33.934 5.976 12.529 635 HD1 TYR 101 HD1 TYR 101 32.294 3.057 12.883 636 HD2 TYR 101 HD2 TYR 101 31.385 7.184 12.391 637 HE1 TYR 101 HE1 TYR 101 30.125 2.704 13.985 638 HE2 TYR 101 HE2 TYR 101 29.213 6.843 13.494 639 HH TYR 101 HH TYR 101 27.680 5.174 14.062 640 H PHE 102 H PHE 102 34.600 4.547 8.995 641 HA PHE 102 HA PHE 102 36.630 4.617 7.971 642 HB2 PHE 102 HB1 PHE 102 36.204 7.599 8.273 643 HB3 PHE 102 HB2 PHE 102 37.517 6.877 7.341 644 HD1 PHE 102 HD1 PHE 102 37.054 5.609 5.287 645 HD2 PHE 102 HD2 PHE 102 33.978 7.659 7.397 646 HE1 PHE 102 HE1 PHE 102 35.601 5.461 3.307 647 HE2 PHE 102 HE2 PHE 102 32.520 7.514 5.421 648 HZ PHE 102 HZ PHE 102 33.331 6.412 3.373 649 H GLN 103 H GLN 103 37.135 7.519 9.929 650 HA GLN 103 HA GLN 103 38.615 8.013 11.584 651 HB2 GLN 103 HB1 GLN 103 37.694 5.313 12.149 652 HB3 GLN 103 HB2 GLN 103 39.341 5.584 12.738 653 HG2 GLN 103 HG1 GLN 103 37.346 7.692 13.335 654 HG3 GLN 103 HG2 GLN 103 37.173 6.146 14.179 655 HE21 GLN 103 HE21 GLN 103 39.179 5.314 15.223 656 HE22 GLN 103 HE22 GLN 103 40.207 6.463 16.001 657 H SER 104 H SER 104 40.895 7.508 12.392 658 HA SER 104 HA SER 104 42.572 7.183 10.079 659 HB2 SER 104 HB1 SER 104 43.849 7.307 12.748 660 HB3 SER 104 HB2 SER 104 44.168 8.260 11.289 661 HG SER 104 HG SER 104 42.154 9.376 11.771 662 H LEU 105 H LEU 105 44.805 5.957 10.801 663 HA LEU 105 HA LEU 105 44.411 3.485 12.170 664 HB2 LEU 105 HB1 LEU 105 43.397 3.441 9.661 665 HB3 LEU 105 HB2 LEU 105 45.073 2.956 9.347 666 HG LEU 105 HG LEU 105 44.202 1.384 11.509 667 HD11 LEU 105 HD11 LEU 105 42.147 0.511 10.988 668 HD12 LEU 105 HD12 LEU 105 42.247 0.995 9.295 669 HD13 LEU 105 HD13 LEU 105 41.910 2.200 10.537 670 HD21 LEU 105 HD21 LEU 105 44.350 -0.429 9.759 671 HD22 LEU 105 HD22 LEU 105 45.782 0.585 9.939 672 HD23 LEU 105 HD23 LEU 105 44.679 0.847 8.588 673 H GLU 106 H GLU 106 46.363 1.972 11.690 674 HA GLU 106 HA GLU 106 48.720 3.495 12.185 675 HB2 GLU 106 HB1 GLU 106 48.177 0.555 11.804 676 HB3 GLU 106 HB2 GLU 106 49.820 1.180 12.021 677 HG2 GLU 106 HG1 GLU 106 49.419 1.870 14.207 678 HG3 GLU 106 HG2 GLU 106 47.665 1.838 13.987 679 HE2 GLU 106 HE GLU 106 49.429 -1.389 15.269 680 H HIS 107 H HIS 107 50.808 2.706 10.953 681 HA HIS 107 HA HIS 107 50.298 2.614 8.067 682 HB2 HIS 107 HB1 HIS 107 50.924 4.971 9.269 683 HB3 HIS 107 HB2 HIS 107 52.537 4.357 8.894 684 HD1 HIS 107 HD1 HIS 107 53.319 4.483 6.503 685 HD2 HIS 107 HD2 HIS 107 49.283 5.373 6.925 686 HE1 HIS 107 HE1 HIS 107 52.584 5.349 4.259 687 HE2 HIS 107 HE2 HIS 107 50.117 5.895 4.517 688 H HIS 108 H HIS 108 51.259 0.692 10.113 689 HA HIS 108 HA HIS 108 52.788 -0.986 10.267 690 HB2 HIS 108 HB1 HIS 108 52.540 -0.468 7.572 691 HB3 HIS 108 HB2 HIS 108 54.285 -0.355 7.828 692 HD1 HIS 108 HD1 HIS 108 51.502 -2.817 8.661 693 HD2 HIS 108 HD2 HIS 108 55.547 -2.742 7.715 694 HE1 HIS 108 HE1 HIS 108 52.200 -5.227 8.503 695 HE2 HIS 108 HE2 HIS 108 54.673 -5.183 7.927 696 H HIS 109 H HIS 109 54.002 -0.347 11.984 697 HA HIS 109 HA HIS 109 56.467 1.145 11.362 698 HB2 HIS 109 HB1 HIS 109 56.392 2.164 13.565 699 HB3 HIS 109 HB2 HIS 109 54.899 2.515 12.692 700 HD1 HIS 109 HD1 HIS 109 56.116 1.127 15.829 701 HD2 HIS 109 HD2 HIS 109 52.646 0.861 13.559 702 HE1 HIS 109 HE1 HIS 109 54.366 0.207 17.382 703 HE2 HIS 109 HE2 HIS 109 52.244 0.043 15.996 704 H HIS 110 H HIS 110 58.347 0.547 12.512 705 HA HIS 110 HA HIS 110 58.273 -1.733 14.286 706 HB2 HIS 110 HB1 HIS 110 59.924 -3.016 12.867 707 HB3 HIS 110 HB2 HIS 110 58.270 -2.965 12.249 708 HD1 HIS 110 HD1 HIS 110 58.410 -2.878 9.784 709 HD2 HIS 110 HD2 HIS 110 61.226 -0.406 11.578 710 HE1 HIS 110 HE1 HIS 110 59.563 -1.689 7.892 711 HE2 HIS 110 HE2 HIS 110 61.285 -0.178 8.986 712 H HIS 111 H HIS 111 60.405 -2.226 15.194 713 HA HIS 111 HA HIS 111 62.300 -1.564 16.266 714 HB2 HIS 111 HB1 HIS 111 62.939 -1.580 13.719 715 HB3 HIS 111 HB2 HIS 111 63.017 0.172 13.931 716 HD1 HIS 111 HD1 HIS 111 64.915 1.129 15.398 717 HD2 HIS 111 HD2 HIS 111 65.005 -3.005 14.993 718 HE1 HIS 111 HE1 HIS 111 67.171 0.419 16.254 719 HE2 HIS 111 HE2 HIS 111 67.227 -2.107 16.008 720 H HIS 112 H HIS 112 60.938 -0.346 17.745 721 HA HIS 112 HA HIS 112 60.416 1.501 18.970 722 HB2 HIS 112 HB1 HIS 112 62.944 1.691 18.817 723 HB3 HIS 112 HB2 HIS 112 62.688 2.868 17.525 724 HD1 HIS 112 HD1 HIS 112 61.734 2.416 21.176 725 HD2 HIS 112 HD2 HIS 112 62.370 5.423 18.381 726 HE1 HIS 112 HE1 HIS 112 61.565 4.573 22.459 727 HE2 HIS 112 HE2 HIS 112 61.952 6.411 20.750
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